primary_name,cas_number,cid,iupac_name,canonical_smiles,inchi,inchi_key,molecular_formula,molecular_weight,exact_mass,xlogp,tpsa,complexity,charge,h_bond_donor_count,h_bond_acceptor_count,rotatable_bond_count,heavy_atom_count,flash_point,boiling_point,acute_aquatic_toxicity,acute_toxicity_dermal,acute_toxicity_inhalation,acute_toxicity_oral,aspiration_hazard,carcinogenicity,chronic_aquatic_toxicity,eye_damage_irritation,flammable_liquids,flammable_solids,germ_cell_mutagenicity,metal_corrosion,organic_peroxides,reproductive_toxicity,respiratory_sensitization,self_reactive_substances,skin_corrosion_irritation,skin_sensitization,stot_repeated_exposure,stot_single_exposure
CHLORINE TRIFLUORIDE,007790-91-2,24637,trifluoro-lambda3-chlorane,FCl(F)F,InChI=1S/ClF3/c2-1(3)4,JOHWNGGYGAVMGU-UHFFFAOYSA-N,ClF3,92.45,91.9640622,2.5,0,8,0,0,3,0,4,,"53 °F at 760 mmHg (USCG, 1999)",1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TETRA-N-BUTYLAMMONIUM TRIBROMIDE,038932-80-8,2723680,,CCCC[N+](CCCC)(CCCC)CCCC.Br[Br-]Br,"InChI=1S/C16H36N.Br3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-3-2/h5-16H2,1-4H3;/q+1;-1",XXSLZJZUSYNITM-UHFFFAOYSA-N,C16H36Br3N,482.2,481.03774,,0,116,0,0,1,12,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINIUM, N,N,N-TRIMETHYL-, (TRIBROMIDE)",004207-56-1,77880,,C[N+](C)(C)C1=CC=CC=C1.Br[Br-]Br,"InChI=1S/C9H14N.Br3/c1-10(2,3)9-7-5-4-6-8-9;1-3-2/h4-8H,1-3H3;/q+1;-1",PRXNKYBFWAWBNZ-UHFFFAOYSA-N,C9H14Br3N,375.93,374.86559,,0,95,0,0,1,1,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"METHANAMINIUM, N,N,N-TRIMETHYL-, (TRIBROMIDE)",015625-56-6,85028,,C[N+](C)(C)C.Br[Br-]Br,"InChI=1S/C4H12N.Br3/c1-5(2,3)4;1-3-2/h1-4H3;/q+1;-1",JFZBJMYWDMJRDB-UHFFFAOYSA-N,C4H12Br3N,313.86,312.84994,,0,19,0,0,1,0,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PERCHLORYL  FLUORIDE,007616-94-6,24258,perchloryl fluoride,O=Cl(=O)(=O)F,"InChI=1S/ClFO3/c2-1(3,4)5",XHFXMNZYIKFCPN-UHFFFAOYSA-N,ClFO3,102.45,101.9519997,3.3,51.2,117,0,0,4,0,5,,"-52 °F at 760 mmHg (NIOSH, 2024)",0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
GUANYL NITROSAMINOGUANYLTETRAZENE,000109-27-3,5362443,(1E)-2-[2-(diaminomethylideneamino)hydrazinyl]-1-(oxohydrazinylidene)guanidine,C(=NNN/N=C(/N)\N=N\N=O)(N)N,"InChI=1S/C2H8N10O/c3-1(4)6-9-10-7-2(5)8-11-12-13/h9-10H,(H2,5,7)(H4,3,4,6)/b11-8+",POKUYZQWMNGFQV-DHZHZOJOSA-N,C2H8N10O,188.15,188.0882549,0.3,181,235,0,5,7,4,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SILVER AZIDE,013863-88-2,61698,silver azide,[N-]=[N+]=[N-].[Ag+],InChI=1S/Ag.N3/c;1-3-2/q+1;-1,QBFXQJXHEPIJKW-UHFFFAOYSA-N,AgN3,149.889,148.91431,,3,26,0,0,2,0,4,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
HYDRAZOIC ACID,007782-79-8,24530,,N=[N+]=[N-],InChI=1S/HN3/c1-3-2/h1H,JUINSXZKUKVTMD-UHFFFAOYSA-N,HN3,43.029,43.01704705,1.7,25.9,23,0,1,2,0,3,,35.7 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
NITROGLYCERINE,000055-63-0,4510,"1,3-dinitrooxypropan-2-yl nitrate",C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-],"InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2",SNIOPGDIGTZGOP-UHFFFAOYSA-N,C3H5N3O9,227.09,227.0025788,1.6,165,218,0,0,9,5,15,"Explodes (NIOSH, 2024)","Begins to decompose at 122-140 °F (NIOSH, 2024)",0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
Mercury Fulminate,000628-86-4,11022444,dioxycyanomercury,C(#[N+][O-])[Hg]C#[N+][O-],InChI=1S/2CNO.Hg/c2*1-2-3;,MHWLNQBTOIYJJP-UHFFFAOYSA-N,C2HgN2O2,284.63,285.966621,,61.3,143,0,0,2,2,7,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"D-MANNITOL, HEXANITRATE",015825-70-4,61818,"[(2R,3R,4R,5R)-1,2,4,5,6-pentanitrooxyhexan-3-yl] nitrate",C([C@H]([C@H]([C@@H]([C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-],"InChI=1S/C6H8N6O18/c13-7(14)25-1-3(27-9(17)18)5(29-11(21)22)6(30-12(23)24)4(28-10(19)20)2-26-8(15)16/h3-6H,1-2H2/t3-,4-,5-,6-/m1/s1",DGMJZELBSFOPHH-KVTDHHQDSA-N,C6H8N6O18,452.16,451.9895074,2.1,330,578,0,0,18,11,30,,Explodes,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIETHYLENE GLYCOL DINITRATE,000693-21-0,61198,2-(2-nitrooxyethoxy)ethyl nitrate,C(CO[N+](=O)[O-])OCCO[N+](=O)[O-],InChI=1S/C4H8N2O7/c7-5(8)12-3-1-11-2-4-13-6(9)10/h1-4H2,LYAGTVMJGHTIDH-UHFFFAOYSA-N,C4H8N2O7,196.12,196.0331506,0.6,119,143,0,0,7,6,13,,161 °C,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
HYDROXYLAMINE,007803-49-8,787,hydroxylamine,NO,"InChI=1S/H3NO/c1-2/h2H,1H2",AVXURJPOCDRRFD-UHFFFAOYSA-N,H3NO,33.03,33.02146372,-1.2,46.3,2,0,2,2,0,2,"265 °F (USCG, 1999)","133.7 °F 22 mm 158 °F 60 mm (USCG, 1999)",1,1,0,1,0,1,0,1,0,0,0,1,0,0,0,0,1,1,1,1
"Chloric acid, ammonium salt",010192-29-7,11679808,azanium chlorate,[NH4+].[O-]Cl(=O)=O,"InChI=1S/ClHO3.H3N/c2-1(3)4;/h(H,2,3,4);1H3",KHPLPBHMTCTCHA-UHFFFAOYSA-N,ClH4NO3,101.49,100.9879707,,58.2,36,0,1,3,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ETHYLENE GLYCOL DINITRATE,000628-96-6,40818,2-nitrooxyethyl nitrate,C(CO[N+](=O)[O-])O[N+](=O)[O-],InChI=1S/C2H4N2O6/c5-3(6)9-1-2-10-4(7)8/h1-2H2,UQXKXGWGFRWILX-UHFFFAOYSA-N,C2H4N2O6,152.06,152.0069359,0.8,110,107,0,0,6,3,10,"419 °F (NIOSH, 2024)","387 °F at 760 mmHg (NIOSH, 2024)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
DICHLORO ACETYLENE,007572-29-4,24227,"1,2-dichloroethyne",C(#CCl)Cl,InChI=1S/C2Cl2/c3-1-2-4,ZMJOVJSTYLQINE-UHFFFAOYSA-N,C2Cl2,94.92,93.9377054,2.3,0,46,0,0,0,0,4,,"90 °F at 760 mmHg (Explodes) (NIOSH, 2024)",0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0
BARIUM AZIDE (BA(N3)2),018810-58-7,62728,barium(2+) diazide,[N-]=[N+]=[N-].[N-]=[N+]=[N-].[Ba+2],InChI=1S/Ba.2N3/c;2*1-3-2/q+2;2*-1,UUXFWHMUNNXFHD-UHFFFAOYSA-N,BaN6,221.37,221.923691,,6,62,0,0,4,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"HYDROXYLAMINE, PHOSPHATE (1:1) (SALT)",019098-16-9,167787,hydroxylamine;phosphoric acid,NO.OP(=O)(O)O,"InChI=1S/H3NO.H3O4P/c1-2;1-5(2,3)4/h2H,1H2;(H3,1,2,3,4)",HYYHQASRTSDPOD-UHFFFAOYSA-N,H6NO5P,131.03,130.9983593,,124,51,0,5,6,0,7,,,1,1,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,1,1,0
HYDROXYLAMMONIUM NITRATE,013465-08-2,10129901,hydroxylamine;nitric acid,NO.[N+](=O)(O)[O-],"InChI=1S/HNO3.H3NO/c2-1(3)4;1-2/h(H,2,3,4);2H,1H2",NILJXUMQIIUAFY-UHFFFAOYSA-N,H4N2O4,96.04,96.01710661,,112,26,0,3,5,0,6,,,1,1,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,1,1,0
AMMONIUM PERCHLORATE,007790-98-9,24639,azanium perchlorate,[NH4+].[O-]Cl(=O)(=O)=O,"InChI=1S/ClHO4.H3N/c2-1(3,4)5;/h(H,2,3,4,5);1H3",HHEFNVCDPLQQTP-UHFFFAOYSA-N,ClH4NO4,117.49,116.9828853,,75.3,95,0,1,4,0,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"METHANAMINE, NITRATE",022113-87-7,159924,methanamine;nitric acid,CN.[N+](=O)(O)[O-],"InChI=1S/CH5N.HNO3/c1-2;2-1(3)4/h2H2,1H3;(H,2,3,4)",PTIUDKQYXMFYAI-UHFFFAOYSA-N,CH6N2O3,94.07,94.03784206,,92.1,26,0,2,4,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CARBON MONOXIDE,000630-08-0,281,carbon monoxide,[C-]#[O+],InChI=1S/CO/c1-2,UGFAIRIUMAVXCW-UHFFFAOYSA-N,CO,28.01,27.99491462,0.7,1,10,0,0,1,0,2,Flammable gas,"-312.7 °F at 760 mmHg (USCG, 1999)",0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
PROPANE,000074-98-6,6334,propane,CCC,"InChI=1S/C3H8/c1-3-2/h3H2,1-2H3",ATUOYWHBWRKTHZ-UHFFFAOYSA-N,C3H8,44.1,44.06260026,1.8,0,0,0,0,0,0,3,"-156 °F (gas) (USCG, 1999)","-43.8 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
HYDROGEN SULFIDE,007783-06-4,402,sulfane,S,InChI=1S/H2S/h1H2,RWSOTUBLDIXVET-UHFFFAOYSA-N,H2S,34.08,33.98772124,0.5,1,0,0,1,1,0,1,500 °F,"-76.59 °F at 760 mmHg (EPA, 1998)",1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
METHANE,000074-82-8,297,methane,C,InChI=1S/CH4/h1H4,VNWKTOKETHGBQD-UHFFFAOYSA-N,CH4,16.043,16.03130013,0.6,0,0,0,0,0,0,1,"-306 °F (NTP, 1992)","-258 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ARSINE,007784-42-1,23969,arsane,[AsH3],InChI=1S/AsH3/h1H3,RBFQJDQYXXHULB-UHFFFAOYSA-N,AsH3,77.946,77.94507,,0,0,0,0,0,0,1,Flammable gas,"-80.4 °F at 760 mmHg (EPA, 1998)",1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"1,3-BUTADIENE",000106-99-0,7845,"buta-1,3-diene",C=CC=C,"InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2",KAKZBPTYRLMSJV-UHFFFAOYSA-N,C4H6,54.09,54.04695019,2,0,21,0,0,0,1,4,"-105 °F (NTP, 1992)","24.1 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
BUTANE,000106-97-8,7843,butane,CCCC,"InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3",IJDNQMDRQITEOD-UHFFFAOYSA-N,C4H10,58.12,58.07825032,2.9,0,2,0,0,0,1,4,"-76 °F (NTP, 1992)","31.1 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
VINYL CHLORIDE (INHIBITIED),000075-01-4,6338,chloroethene,C=CCl,"InChI=1S/C2H3Cl/c1-2-3/h2H,1H2",BZHJMEDXRYGGRV-UHFFFAOYSA-N,C2H3Cl,62.5,61.9923278,1.5,0,10,0,0,0,0,3,"-110 °F (NTP, 1992)","7 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CYANOGEN,000460-19-5,9999,oxalonitrile,C(#N)C#N,InChI=1S/C2N2/c3-1-2-4,JMANVNJQNLATNU-UHFFFAOYSA-N,C2N2,52.03,52.00614801,0.1,47.6,71,0,0,2,0,4,Flammable gas,"-6.1 °F at 760 mmHg (USCG, 1999)",1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ETHANE,000074-84-0,6324,ethane,CC,InChI=1S/C2H6/c1-2/h1-2H3,OTMSDBZUPAUEDD-UHFFFAOYSA-N,C2H6,30.07,30.04695019,1.3,0,0,0,0,0,0,2,"-211 °F (USCG, 1999)","-127.5 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
METHYL ACETYLENE,000074-99-7,6335,prop-1-yne,CC#C,"InChI=1S/C3H4/c1-3-2/h1H,2H3",MWWATHDPGQKSAR-UHFFFAOYSA-N,C3H4,40.06,40.03130013,0.9,0,26,0,0,0,0,3,Flammable gas,"-10 °F at 760 mmHg (NIOSH, 2024)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
METHYL CHLORIDE,000074-87-3,6327,chloromethane,CCl,InChI=1S/CH3Cl/c1-2/h1H3,NEHMKBQYUWJMIP-UHFFFAOYSA-N,CH3Cl,50.49,49.9923278,0.8,0,2,0,0,0,0,2,"-49.9 °F (NTP, 1992)","-11.6 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0
PHOSPHINE,007803-51-2,24404,phosphane,P,InChI=1S/H3P/h1H3,XYFCBTPGUUZFHI-UHFFFAOYSA-N,H3P,33.998,33.99723709,-0.1,0,0,0,0,0,0,1,Flammable gas,"-126 °F at 760 mmHg (EPA, 1998)",1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PROPYLENE,000115-07-1,8252,prop-1-ene,CC=C,"InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3",QQONPFPTGQHPMA-UHFFFAOYSA-N,C3H6,42.08,42.04695019,1.4,0,7,0,0,0,0,3,"-162 °F (NTP, 1992)","-53.9 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SILANE,007803-62-5,23953,silane,[SiH4],InChI=1S/H4Si/h1H4,BLRPTPMANUNPDV-UHFFFAOYSA-N,H4Si,32.117,32.00822666,,0,0,0,0,0,0,1,NA (Gas),"-169 °F at 760 mmHg (NIOSH, 2024)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CIS-2-BUTENE,000590-18-1,5287573,(Z)-but-2-ene,C/C=C\C,"InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-",IAQRGUVFOMOMEM-ARJAWSKDSA-N,C4H8,56.11,56.06260026,2.3,0,15,0,0,0,0,4,-11.99 °C (10.42 °F) - closed cup,3.73 °C at 760 mm Hg /cis-2-Butene/,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIFLUOROETHANE,000075-37-6,6368,"1,1-difluoroethane",CC(F)F,"InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3",NPNPZTNLOVBDOC-UHFFFAOYSA-N,C2H4F2,66.05,66.02810645,1.4,0,11,0,0,2,0,4,< -50 °C (open cup),"52.3 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DEUTERIUM,007782-39-0,24523,,[2H][2H],InChI=1S/H2/h1H/i1+1D,UFHFLCQGNIYNRP-VVKOMZTBSA-N,H2,4.028203556,4.028203556,0,0,0,0,0,0,0,0,,-249.49 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CHLOROTRIFLUOROETHYLENE,000079-38-9,6594,"1-chloro-1,2,2-trifluoroethene",C(=C(F)Cl)(F)F,InChI=1S/C2ClF3/c3-1(4)2(5)6,UUAGAQFQZIEFAH-UHFFFAOYSA-N,C2ClF3,116.47,115.9640622,1.9,0,72,0,0,3,0,6,-27.8 °C,"-18 °F at 760 mmHg (USCG, 1999)",0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DICHLOROSILANE,004109-96-0,61330,dichlorosilane,[SiH2](Cl)Cl,InChI=1S/Cl2H2Si/c1-3-2/h3H2,MROCJMGDEKINLD-UHFFFAOYSA-N,Cl2H2Si,101,99.930282,,0,2,0,0,0,0,3,-28 °C c.c.,8 °C,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ISOBUTANE,000075-28-5,6360,2-methylpropane,CC(C)C,"InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3",NNPPMTNAJDCUHE-UHFFFAOYSA-N,C4H10,58.12,58.07825032,2.1,0,4,0,0,0,0,4,"-117 °F (USCG, 1999)","10.8 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DEUTERIUM SULFIDE,013536-94-2,139492,(2H2)sulfane,[2H]S[2H],InChI=1S/H2S/h1H2/i/hD2,RWSOTUBLDIXVET-ZSJDYOACSA-N,H2S,36.1,36.00027473,0.5,1,0,0,1,1,0,1,,,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ALLENE,000463-49-0,10037,"propa-1,2-diene",C=C=C,InChI=1S/C3H4/c1-3-2/h1-2H2,IYABWNGZIDDRAK-UHFFFAOYSA-N,C3H4,40.06,40.03130013,0.8,0,15,0,0,0,0,3,,-34.5 °C @ 760 MM HG,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
FLUOROMETHANE,000593-53-3,11638,fluoromethane,CF,InChI=1S/CH3F/c1-2/h1H3,NBVXSUQYWXRMNV-UHFFFAOYSA-N,CH3F,34.033,34.02187826,0.6,0,2,0,0,1,0,2,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIFLUOROMETHANE,000075-10-5,6345,difluoromethane,C(F)F,InChI=1S/CH2F2/c2-1-3/h1H2,RWRIWBAIICGTTQ-UHFFFAOYSA-N,CH2F2,52.023,52.01245639,1,0,2,0,0,2,0,3,,-51.65 °C,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
METHYL MERCAPTAN,000074-93-1,878,methanethiol,CS,"InChI=1S/CH4S/c1-2/h2H,1H3",LSDPWZHWYPCBBB-UHFFFAOYSA-N,CH4S,48.11,48.0033713,0.5,1,2,0,1,1,0,2,"0 °F (EPA, 1998)","42.7 °F at 760 mmHg (EPA, 1998)",1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ETHYL ACETYLENE,000107-00-6,7846,but-1-yne,CCC#C,"InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3",KDKYADYSIPSCCQ-UHFFFAOYSA-N,C4H6,54.09,54.04695019,1.3,0,35,0,0,0,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DISILANE,001590-87-0,74123,silylsilane,[SiH3][SiH3],InChI=1S/H6Si2/c1-2/h1-2H3,PZPGRFITIJYNEJ-UHFFFAOYSA-N,H6Si2,62.22,62.00080326,,0,0,0,0,0,0,2,,,0,1,1,0,0,1,0,1,0,0,1,0,0,0,1,0,1,0,0,1
DIMETHYL ETHER,000115-10-6,8254,methoxymethane,COC,InChI=1S/C2H6O/c1-3-2/h1-2H3,LCGLNKUTAGEVQW-UHFFFAOYSA-N,C2H6O,46.07,46.04186481,0.1,9.2,2,0,0,1,0,3,"25 °F (NTP, 1992)","-8 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,1,1-TRIFLUOROETHANE",000420-46-2,9868,"1,1,1-trifluoroethane",CC(F)(F)F,"InChI=1S/C2H3F3/c1-2(3,4)5/h1H3",UJPMYEOUBPIPHQ-UHFFFAOYSA-N,C2H3F3,84.04,84.01868458,1.7,0,26,0,0,3,0,5,,-47.20 °C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
DIFLUOROMONOCHLOROETHANE,000075-68-3,6388,"1-chloro-1,1-difluoroethane",CC(F)(F)Cl,"InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3",BHNZEZWIUMJCGF-UHFFFAOYSA-N,C2H3ClF2,100.49,99.9891341,2,0,34,0,0,2,0,5,,-9.1 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIGERMANE,013818-89-8,6336261,,[GeH3].[GeH3],InChI=1S/2GeH3/h2*1H3,GLGDREVVEMHVLU-UHFFFAOYSA-N,Ge2H6,151.31,151.8902038,,0,0,0,0,0,0,2,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYLSILANE,000992-94-9,70434,methylsilane,C[SiH3],InChI=1S/CH6Si/c1-2/h1-2H3,UIUXUFNYAYAMOE-UHFFFAOYSA-N,CH6Si,46.143,46.02387673,,0,2,0,0,0,0,2,,,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,1-DIFLUOROETHYLENE",000075-38-7,6369,"1,1-difluoroethene",C=C(F)F,InChI=1S/C2H2F2/c1-2(3)4/h1H2,BQCIDUSAKPWEOX-UHFFFAOYSA-N,C2H2F2,64.03,64.01245639,1.3,0,27,0,0,2,0,4,Flammable gas,"-123 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
VINYL BROMIDE,000593-60-2,11641,bromoethene,C=CBr,"InChI=1S/C2H3Br/c1-2-3/h2H,1H2",INLLPKCGLOXCIV-UHFFFAOYSA-N,C2H3Br,106.95,105.94181,1.5,0,10,0,0,0,0,3,"less than 18 °F (NTP, 1992)","60.4 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CARBON-13C MONOXIDE,001641-69-6,9793682,(113C)methylidyneoxidanium,[13C-]#[O+],InChI=1S/CO/c1-2/i1+1,UGFAIRIUMAVXCW-OUBTZVSYSA-N,CO,29.003,28.99826946,0.7,1,10,0,0,1,0,2,,,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
METHANE-13C,006532-48-5,105026,carbane,[13CH4],InChI=1S/CH4/h1H4/i1+1,VNWKTOKETHGBQD-OUBTZVSYSA-N,CH4,17.035,17.03465496,0.6,0,0,0,0,0,0,1,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PROPANE-D8,002875-94-7,137750,"1,1,1,2,2,3,3,3-octadeuteriopropane",[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H],"InChI=1S/C3H8/c1-3-2/h3H2,1-2H3/i1D3,2D3,3D2",ATUOYWHBWRKTHZ-AUOAYUKBSA-N,C3H8,52.14,52.11281422,1.8,0,0,0,0,0,0,3,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
POLY(ETHYLENE)-ETHYLENE-D4,025549-98-8,123083,"1,1,2,2-tetradeuterioethene",[2H]C(=C([2H])[2H])[2H],"InChI=1S/C2H4/c1-2/h1-2H2/i1D2,2D2",VGGSQFUCUMXWEO-LNLMKGTHSA-N,C2H4,32.08,32.05640711,1.2,0,0,0,0,0,0,2,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"1,1,2-TRIFLUOROETHENE",000359-11-5,9665,"1,1,2-trifluoroethene",C(=C(F)F)F,InChI=1S/C2HF3/c3-1-2(4)5/h1H,MIZLGWKEZAPEFJ-UHFFFAOYSA-N,C2HF3,82.02,82.00303452,1,0,42,0,0,3,0,5,,-51 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
METHANE-D3,000676-80-2,10953798,trideuteriomethane,[2H]C([2H])[2H],InChI=1S/CH4/h1H4/i1D3,VNWKTOKETHGBQD-FIBGUPNXSA-N,CH4,19.061,19.05013037,0.6,0,0,0,0,0,0,1,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-BUTADIENE-D6",001441-56-1,137009,"1,1,2,3,4,4-hexaprotiobuta-1,3-diene",[1H]C(=C([1H])C(=C([1H])[1H])[1H])[1H],"InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2/i1H2,2H2,3H,4H",KAKZBPTYRLMSJV-JIXMDAJQSA-N,C4H6,54.09,54.04695019,2,0,21,0,0,0,1,4,,,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"2,3,3,3-TETRAFLUORO-1-PROPANE",000754-12-1,2776731,"2,3,3,3-tetrafluoroprop-1-ene",C=C(C(F)(F)F)F,"InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2",FXRLMCRCYDHQFW-UHFFFAOYSA-N,C3H2F4,114.04,114.0092627,1.8,0,79,0,0,4,0,7,,-29.4 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIMETHYLBORANE,000593-90-8,68979,trimethylborane,B(C)(C)C,InChI=1S/C3H9B/c1-4(2)3/h1-3H3,WXRGABKACDFXMG-UHFFFAOYSA-N,C3H9B,55.92,56.0797305,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DEUTERIUM HYDRIDE,013983-20-5,167583,deuterium monohydride,[2HH],InChI=1S/H2/h1H/i1+1,UFHFLCQGNIYNRP-OUBTZVSYSA-N,H2,3.0221,3.02192681,0,0,0,0,0,0,0,0,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ETHYL NITRITE,000109-95-5,8026,ethyl nitrite,CCON=O,"InChI=1S/C2H5NO2/c1-2-5-3-4/h2H2,1H3",QQZWEECEMNQSTG-UHFFFAOYSA-N,C2H5NO2,75.07,75.0320284,0.4,38.7,28,0,0,3,1,5,"-31 °F (USCG, 1999)","63 °F at 760 mmHg (USCG, 1999)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANE, FLUORO-",000353-36-6,9620,fluoroethane,CCF,"InChI=1S/C2H5F/c1-2-3/h2H2,1H3",UHCBBWUQDAVSMS-UHFFFAOYSA-N,C2H5F,48.06,48.03752832,0.9,0,2,0,0,1,0,3,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHENE, 2-BROMO-1,1-DIFLUORO-",000359-08-0,67754,"2-bromo-1,1-difluoroethene",C(=C(F)F)Br,InChI=1S/C2HBrF2/c3-1-2(4)5/h1H,QZGNGBWAMYFUST-UHFFFAOYSA-N,C2HBrF2,142.93,141.92297,1.6,0,45,0,0,2,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ETHENONE,000463-51-4,10038,ethenone,C=C=O,InChI=1S/C2H2O/c1-2-3/h1H2,CCGKOQOJPYTBIH-UHFFFAOYSA-N,C2H2O,42.04,42.01056468,0.8,17.1,25,0,0,1,0,3,Flammable gas,"-69 °F at 760 mmHg (NIOSH, 2024)",0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BUTADIENE",000590-19-2,11535,"buta-1,2-diene",CC=C=C,"InChI=1S/C4H6/c1-3-4-2/h4H,1H2,2H3",QNRMTGGDHLBXQZ-UHFFFAOYSA-N,C4H6,54.09,54.04695019,1,0,38,0,0,0,0,4,,10.9 °C,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
1-BUTEN-3-YNE,000689-97-4,12720,but-1-en-3-yne,C=CC#C,"InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2",WFYPICNXBKQZGB-UHFFFAOYSA-N,C4H4,52.07,52.03130013,1.3,0,51,0,0,0,0,4,,5.1 °C @ 760 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIMETHYLSILANE,000993-07-7,70435,trimethylsilane,C[SiH](C)C,"InChI=1S/C3H10Si/c1-4(2)3/h4H,1-3H3",PQDJYEQOELDLCP-UHFFFAOYSA-N,C3H10Si,74.2,74.05517685,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
STIBINE,007803-52-3,9359,stibane,[SbH3],InChI=1S/Sb.3H,OUULRIDHGPHMNQ-UHFFFAOYSA-N,H3Sb,124.784,123.92729,,0,0,0,0,0,0,1,Flammable gas,"-1 °F at 760 mmHg (NIOSH, 2024)",0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"SILANE, CHLORO-",013465-78-6,61622,chlorosilane,[SiH3]Cl,InChI=1S/ClH3Si/c1-2/h2H3,KOPOQZFJUQMUML-UHFFFAOYSA-N,ClH3Si,66.56,65.9692543,,0,2,0,0,0,0,2,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CHLOROMETHYLSILANE,000993-00-0,61244,chloro(methyl)silane,C[SiH2]Cl,"InChI=1S/CH5ClSi/c1-3-2/h3H2,1H3",YGZSVWMBUCGDCV-UHFFFAOYSA-N,CH5ClSi,80.59,79.9849044,,0,4,0,0,0,0,3,-9 °C,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DIMETHYLAMINE,000124-40-3,674,N-methylmethanamine,CNC,"InChI=1S/C2H7N/c1-3-2/h3H,1-2H3",ROSDSFDQCJNGOL-UHFFFAOYSA-N,C2H7N,45.08,45.05784923,-0.2,12,2,0,1,1,0,3,"20 °F (USCG, 1999)","45.3 °F at 760 mmHg (NTP, 1992)",0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYLAMINE,000074-89-5,6329,methanamine,CN,"InChI=1S/CH5N/c1-2/h2H2,1H3",BAVYZALUXZFZLV-UHFFFAOYSA-N,CH5N,31.057,31.04219916,-0.7,26,2,0,1,1,0,2,"14 °F (Liquid) (NIOSH, 2024)","20.3 °F at 760 mmHg (USCG, 1999)",0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LITHIUM ALUMINUM HYDRIDE,016853-85-3,28112,lithium alumanuide,[Li+].[AlH4-],InChI=1S/Al.Li.4H/q-1;+1;;;;,OCZDCIYGECBNKL-UHFFFAOYSA-N,AlH4Li,38,38.028842,,0,0,0,0,1,0,2,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ETHYL CHLORIDE,000075-00-3,6337,chloroethane,CCCl,"InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3",HRYZWHHZPQKTII-UHFFFAOYSA-N,C2H5Cl,64.51,64.0079779,1.2,0,2,0,0,0,0,3,"-58 °F (NTP, 1992)","54.1 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
AMMONIA-D3,013550-49-7,123314,,[2H]N([2H])[2H],InChI=1S/H3N/h1H3/i/hD3,QGZKDVFQNNGYKY-ZRLBSURWSA-N,H3N,20.049,20.04537934,-0.7,1,0,0,1,1,0,1,,,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"NITROUS ACID, METHYL ESTER",000624-91-9,12231,methyl nitrite,CON=O,InChI=1S/CH3NO2/c1-4-2-3/h1H3,BLLFVUPNHCTMSV-UHFFFAOYSA-N,CH3NO2,61.04,61.01637834,0,38.7,20,0,0,3,0,4,,64.6 °C @ 760 mm Hg (explodes),0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"PROPANE, 1,1,1-TRIFLUORO-",000421-07-8,67899,"1,1,1-trifluoropropane",CCC(F)(F)F,"InChI=1S/C3H5F3/c1-2-3(4,5)6/h2H2,1H3",KDWQLICBSFIDRM-UHFFFAOYSA-N,C3H5F3,98.07,98.03433465,2.2,0,35,0,0,3,0,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIETHYL ETHER,000060-29-7,3283,ethoxyethane,CCOCC,"InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3",RTZKZFJDLAIYFH-UHFFFAOYSA-N,C4H10O,74.12,74.07316494,0.9,9.2,11,0,0,1,2,5,"-49 °F (NTP, 1992)","94.3 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
ISOPROPYLAMINE,000075-31-0,6363,propan-2-amine,CC(C)N,"InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3",JJWLVOIRVHMVIS-UHFFFAOYSA-N,C3H9N,59.11,59.07349929,0.1,26,10,0,1,1,0,4,"-35 °F (NTP, 1992)","90.3 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
METHYL FORMATE,000107-31-3,7865,methyl formate,COC=O,"InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3",TZIHFWKZFHZASV-UHFFFAOYSA-N,C2H4O2,60.05,60.02112937,0,26.3,18,0,0,2,1,4,"-26 °F (NTP, 1992)","88.7 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
DIMETHYLCHLOROSILANE,001066-35-9,66108,chloro(dimethyl)silane,C[SiH](C)Cl,"InChI=1S/C2H7ClSi/c1-4(2)3/h4H,1-2H3",YGHUUVGIRWMJGE-UHFFFAOYSA-N,C2H7ClSi,94.61,94.0005545,,0,13,0,0,0,0,4,,,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
2-CHLOROPROPENE,000557-98-2,11203,2-chloroprop-1-ene,CC(=C)Cl,"InChI=1S/C3H5Cl/c1-3(2)4/h1H2,2H3",PNLQPWWBHXMFCA-UHFFFAOYSA-N,C3H5Cl,76.52,76.0079779,1.9,0,30,0,0,0,0,4,"less than 4 °F (NFPA, 2010)",22.6 °C @ 760 MM HG,0,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-METHYL BUTANE,000078-78-4,6556,2-methylbutane,CCC(C)C,"InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3",QWTDNUCVQCZILF-UHFFFAOYSA-N,C5H12,72.15,72.09390038,2.6,0,14,0,0,0,1,5,"-70 °F (NTP, 1992)","82 °F at 760 mmHg (NTP, 1992)",0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,1
TETRAMETHYLSILANE,000075-76-3,6396,tetramethylsilane,C[Si](C)(C)C,"InChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3",CZDYPVPMEAXLPK-UHFFFAOYSA-N,C4H12Si,88.22,88.07082692,,0,19,0,0,0,0,5,-27 dec C (closed cup),26.6 °C,0,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,1,2,2,3-PENTAFLUOROPROPANE",000679-86-7,69624,"1,1,2,2,3-pentafluoropropane",C(C(C(F)F)(F)F)F,"InChI=1S/C3H3F5/c4-1-3(7,8)2(5)6/h2H,1H2",AWTOFSDLNREIFS-UHFFFAOYSA-N,C3H3F5,134.05,134.0154909,2.1,0,68,0,0,5,2,8,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
2-METHYL-1-BUTENE,000563-46-2,11240,2-methylbut-1-ene,CCC(=C)C,"InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3",MHNNAWXXUZQSNM-UHFFFAOYSA-N,C5H10,70.13,70.07825032,2.5,0,35,0,0,0,1,5,"less than 20 °F (NFPA, 2010)",31.2 °C,0,0,0,1,1,1,1,0,1,0,1,0,0,0,0,0,1,0,0,1
1-PENTENE,000109-67-1,8004,pent-1-ene,CCCC=C,"InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3",YWAKXRMUMFPDSH-UHFFFAOYSA-N,C5H10,70.13,70.07825032,2.4,0,21,0,0,0,2,5,"-60 °F (USCG, 1999)","85.8 °F at 760 mmHg (USCG, 1999)",0,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
"1,1,1-TRIFLUOROACETONE",000421-50-1,9871,"1,1,1-trifluoropropan-2-one",CC(=O)C(F)(F)F,"InChI=1S/C3H3F3O/c1-2(7)3(4,5)6/h1H3",FHUDAMLDXFJHJE-UHFFFAOYSA-N,C3H3F3O,112.05,112.0135992,1.1,17.1,82,0,0,4,0,7,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
DEUTERATED DIETHYLETHER,002679-89-2,2723765,"1,1,1,2,2-pentadeuterio-2-(1,1,2,2,2-pentadeuterioethoxy)ethane",[2H]C([2H])([2H])C([2H])([2H])OC([2H])([2H])C([2H])([2H])[2H],"InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3/i1D3,2D3,3D2,4D2",RTZKZFJDLAIYFH-MWUKXHIBSA-N,C4H10O,84.18,84.1359324,0.9,9.2,11,0,0,1,2,5,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
3-METHYL-1-BUTENE,000563-45-1,11239,3-methylbut-1-ene,CC(C)C=C,"InChI=1S/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3",YHQXBTXEYZIYOV-UHFFFAOYSA-N,C5H10,70.13,70.07825032,2.2,0,27,0,0,0,1,5,"less than 20 °F (NFPA, 2010)",20.1 °C,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
N-METHYLETHANAMINE,000624-78-2,12219,N-methylethanamine,CCNC,"InChI=1S/C3H9N/c1-3-4-2/h4H,3H2,1-2H3",LIWAQLJGPBVORC-UHFFFAOYSA-N,C3H9N,59.11,59.07349929,0.1,12,7,0,1,1,1,4,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
SAMARIUM DIIODIDE,032248-43-4,141689,diiodosamarium,I[Sm]I,InChI=1S/2HI.Sm/h2*1H;/q;;+2/p-2,UAWABSHMGXMCRK-UHFFFAOYSA-L,I2Sm,404.2,405.72868,,0,2,0,0,0,0,3,,,0,0,0,0,0,1,0,1,1,0,0,0,0,0,0,0,1,0,0,1
BROMODIMETHYLBORANE,005158-50-9,123224,bromo(dimethyl)borane,B(C)(C)Br,InChI=1S/C2H6BBr/c1-3(2)4/h1-2H3,ABQPEYRVNHDPIO-UHFFFAOYSA-N,C2H6BBr,120.79,119.97459,,0,13,0,0,0,0,4,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
DIMETHYLAMINE (D6),014802-36-9,11819887,"1,1,1-trideuterio-N-(trideuteriomethyl)methanamine",[2H]C([2H])([2H])NC([2H])([2H])[2H],"InChI=1S/C2H7N/c1-3-2/h3H,1-2H3/i1D3,2D3",ROSDSFDQCJNGOL-WFGJKAKNSA-N,C2H7N,51.12,51.0955097,-0.2,12,2,0,1,1,0,3,,,0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"2,2,2-TRIFLUOROETHANETHIOL",001544-53-2,4133924,"2,2,2-trifluoroethanethiol",C(C(F)(F)F)S,"InChI=1S/C2H3F3S/c3-2(4,5)1-6/h6H,1H2",RYRLLAOLJVDVNN-UHFFFAOYSA-N,C2H3F3S,116.11,115.9907558,1.6,1,38,0,1,4,0,6,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-PROPENE, 2-METHOXY-",000116-11-0,8300,2-methoxyprop-1-ene,CC(=C)OC,"InChI=1S/C4H8O/c1-4(2)5-3/h1H2,2-3H3",YOWQWFMSQCOSBA-UHFFFAOYSA-N,C4H8O,72.11,72.05751487,1.2,9.2,38,0,0,1,1,5,,,0,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
"SILANE, FLUOROTRIMETHYL-",000420-56-4,9869,fluoro(trimethyl)silane,C[Si](C)(C)F,"InChI=1S/C3H9FSi/c1-5(2,3)4/h1-3H3",CTIKAHQFRQTTAY-UHFFFAOYSA-N,C3H9FSi,92.19,92.04575498,,0,28,0,0,1,0,5,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-BUTYNE,000503-17-3,10419,but-2-yne,CC#CC,InChI=1S/C4H6/c1-3-4-2/h1-2H3,XNMQEEKYCVKGBD-UHFFFAOYSA-N,C4H6,54.09,54.04695019,1.5,0,42,0,0,0,0,4,"-4 °F (NFPA, 2010)",,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-PROPANAMINE, N,2-DIMETHYL-",000625-43-4,12249,"N,2-dimethylpropan-1-amine",CC(C)CNC,"InChI=1S/C5H13N/c1-5(2)4-6-3/h5-6H,4H2,1-3H3",QKYWADPCTHTJHQ-UHFFFAOYSA-N,C5H13N,87.16,87.10479942,1.1,12,25,0,1,1,2,6,,,0,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"PEROXIDE, (1-METHYLPROPYLIDENE)BIS[(1,1-DIMETHYLETHYL)",002167-23-9,221260,"2,2-bis(tert-butylperoxy)butane",CCC(C)(OOC(C)(C)C)OOC(C)(C)C,"InChI=1S/C12H26O4/c1-9-12(8,15-13-10(2,3)4)16-14-11(5,6)7/h9H2,1-8H3",HQOVXPHOJANJBR-UHFFFAOYSA-N,C12H26O4,234.33,234.1831093,3.2,36.9,182,0,0,4,7,16,,,0,0,0,0,0,0,1,1,1,0,0,0,1,0,0,1,1,0,0,1
"BUTANE, 1-FLUORO-",002366-52-1,16908,1-fluorobutane,CCCCF,"InChI=1S/C4H9F/c1-2-3-4-5/h2-4H2,1H3",FCBJLBCGHCTPAQ-UHFFFAOYSA-N,C4H9F,76.11,76.06882845,2.6,0,13,0,0,1,2,5,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BUTANE, 2-ETHOXY-",002679-87-0,17586,2-ethoxybutane,CCC(C)OCC,"InChI=1S/C6H14O/c1-4-6(3)7-5-2/h6H,4-5H2,1-3H3",VSCUCHUDCLERMY-UHFFFAOYSA-N,C6H14O,102.17,102.1044651,1.8,9.2,35,0,0,1,3,7,,81.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1-BUTENE, 2-BROMO-",023074-36-4,89990,2-bromobut-1-ene,CCC(=C)Br,"InChI=1S/C4H7Br/c1-3-4(2)5/h2-3H2,1H3",HQMXRIGBXOFKIU-UHFFFAOYSA-N,C4H7Br,135,133.97311,2.4,0,38,0,0,0,1,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-METHOXY-1,1,1-TRIFLUOROETHANE",000460-43-5,136304,"1,1,1-trifluoro-2-methoxyethane",COCC(F)(F)F,"InChI=1S/C3H5F3O/c1-7-2-3(4,5)6/h2H2,1H3",OHLVGBXMHDWRRX-UHFFFAOYSA-N,C3H5F3O,114.07,114.0292493,1.2,9.2,48,0,0,4,1,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
4-METHYL-1-PENTENE,000691-37-2,12724,4-methylpent-1-ene,CC(C)CC=C,"InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3",WSSSPWUEQFSQQG-UHFFFAOYSA-N,C6H12,84.16,84.09390038,2.7,0,35,0,0,0,2,6,"-25 °F (USCG, 1999)","127.4 to 129.2 °F at 760 mmHg (USCG, 1999)",0,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-METHYL-2-BUTENE,000513-35-9,10553,2-methylbut-2-ene,CC=C(C)C,"InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3",BKOOMYPCSUNDGP-UHFFFAOYSA-N,C5H10,70.13,70.07825032,2.3,0,38,0,0,0,0,5,"less than 20 °F (NFPA, 2010)",37.5-38.5 °C,0,0,0,1,1,1,1,0,1,0,1,0,0,0,0,0,1,0,0,1
N-BUTYL ISOCYANATE,000111-36-4,8110,1-isocyanatobutane,CCCCN=C=O,"InChI=1S/C5H9NO/c1-2-3-4-6-5-7/h2-4H2,1H3",HNHVTXYLRVGMHD-UHFFFAOYSA-N,C5H9NO,99.13,99.06841391,2.3,29.4,74,0,0,2,3,7,"66 °F (NFPA, 2010)",115 °C,0,1,1,1,0,0,0,1,1,0,0,0,0,0,1,0,1,1,0,1
HYDROGEN CYANIDE,000074-90-8,768,formonitrile,C#N,InChI=1S/CHN/c1-2/h1H,LELOWRISYMNNSU-UHFFFAOYSA-N,CHN,27.025,27.01089904,0.1,23.8,10,0,0,1,0,2,"0 °F (96%) (NIOSH, 2024)","78 °F at 760 mmHg (96%) (NIOSH, 2024)",1,0,1,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
ISOPRENE,000078-79-5,6557,"2-methylbuta-1,3-diene",CC(=C)C=C,"InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3",RRHGJUQNOFWUDK-UHFFFAOYSA-N,C5H8,68.12,68.06260026,2.5,0,51,0,0,0,1,5,"-65 °F (NTP, 1992)","93 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,1,0,1,0,1,0,0,0,0,0,0,0,0,0
ACETALDEHYDE,000075-07-0,177,acetaldehyde,CC=O,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",IKHGUXGNUITLKF-UHFFFAOYSA-N,C2H4O,44.05,44.02621475,-0.3,17.1,10,0,0,1,0,3,"-40 °F (NTP, 1992)","70 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,0,1,1,0,1,0,0,0,0,0,0,0,0,1
TERT-BUTYL ETHYL ETHER,000637-92-3,12512,2-ethoxy-2-methylpropane,CCOC(C)(C)C,"InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3",NUMQCACRALPSHD-UHFFFAOYSA-N,C6H14O,102.17,102.1044651,1.4,9.2,42,0,0,1,2,7,"-3 °F (NTP, 1992)","163.6 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ETHYL BROMIDE,000074-96-4,6332,bromoethane,CCBr,"InChI=1S/C2H5Br/c1-2-3/h2H2,1H3",RDHPKYGYEGBMSE-UHFFFAOYSA-N,C2H5Br,108.97,107.95746,1.4,0,2,0,0,0,0,3,"-10 °F (NTP, 1992)","101.1 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,1-DICHLOROETHANE",000075-34-3,6365,"1,1-dichloroethane",CC(Cl)Cl,"InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3",SCYULBFZEHDVBN-UHFFFAOYSA-N,C2H4Cl2,98.96,97.9690055,1.9,0,11,0,0,0,0,4,"22 °F (NTP, 1992)","135.1 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1
METHYL ETHYL KETONE,000078-93-3,6569,butan-2-one,CCC(=O)C,"InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3",ZWEHNKRNPOVVGH-UHFFFAOYSA-N,C4H8O,72.11,72.05751487,0.3,17.1,38,0,0,1,1,5,"26 °F (NTP, 1992)","175.3 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
ALLYL BROMIDE,000106-95-6,7841,3-bromoprop-1-ene,C=CCBr,"InChI=1S/C3H5Br/c1-2-3-4/h2H,1,3H2",BHELZAPQIKSEDF-UHFFFAOYSA-N,C3H5Br,120.98,119.95746,1.8,0,17,0,0,0,1,4,"28 °F (USCG, 1999)","158 °F at 760 mmHg (USCG, 1999)",1,1,1,1,0,1,0,1,1,0,1,0,0,0,0,0,1,0,0,1
N-PROPYLAMINE,000107-10-8,7852,propan-1-amine,CCCN,"InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3",WGYKZJWCGVVSQN-UHFFFAOYSA-N,C3H9N,59.11,59.07349929,0.5,26,7,0,1,1,1,4,"-35 °F (USCG, 1999)","119.5 °F at 760 mmHg (USCG, 1999)",0,1,1,1,0,0,1,1,1,0,0,1,0,0,0,0,1,0,0,1
BUTYRONITRILE,000109-74-0,8008,butanenitrile,CCCC#N,"InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3",KVNRLNFWIYMESJ-UHFFFAOYSA-N,C4H7N,69.11,69.05784923,0.5,23.8,47,0,0,1,1,5,"62 °F (USCG, 1999)","244 °F at 760 mmHg (USCG, 1999)",0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
DIETHYLAMINE,000109-89-7,8021,N-ethylethanamine,CCNCC,"InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3",HPNMFZURTQLUMO-UHFFFAOYSA-N,C4H11N,73.14,73.08914936,0.6,12,11,0,1,1,2,5,"-20 °F (NTP, 1992)","131.9 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
TRIETHYLAMINE,000121-44-8,8471,"N,N-diethylethanamine",CCN(CC)CC,"InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3",ZMANZCXQSJIPKH-UHFFFAOYSA-N,C6H15N,101.19,101.1204495,1.4,3.2,25,0,0,1,3,7,"20 °F (NTP, 1992)","192.7 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
ACETONE,000067-64-1,180,propan-2-one,CC(=O)C,InChI=1S/C3H6O/c1-3(2)4/h1-2H3,CSCPPACGZOOCGX-UHFFFAOYSA-N,C3H6O,58.08,58.04186481,-0.1,17.1,26,0,0,1,0,4,"0 °F (NTP, 1992)","133 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
N-PROPYL ALCOHOL,000071-23-8,1031,propan-1-ol,CCCO,"InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",BDERNNFJNOPAEC-UHFFFAOYSA-N,C3H8O,60.1,60.05751487,0.3,20.2,7,0,1,1,1,4,"77 °F (USCG, 1999)","207 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
ISOBUTYL ACETATE,000110-19-0,8038,2-methylpropyl acetate,CC(C)COC(=O)C,"InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3",GJRQTCIYDGXPES-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,1.8,26.3,76,0,0,2,3,8,"62 °F (USCG, 1999)","243.1 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
ISOBUTYL CHLORIDE,000513-36-0,10554,1-chloro-2-methylpropane,CC(C)CCl,"InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3",QTBFPMKWQKYFLR-UHFFFAOYSA-N,C4H9Cl,92.57,92.039278,2.1,0,17,0,0,0,1,5,-10 °C,69 °C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
N-BUTYL NITRITE,000544-16-1,10996,butyl nitrite,CCCCON=O,"InChI=1S/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2,1H3",JQJPBYFTQAANLE-UHFFFAOYSA-N,C4H9NO2,103.12,103.0633285,1.3,38.7,47,0,0,3,3,7,,,0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2,3-BUTANEDIONE",000431-03-8,650,"butane-2,3-dione",CC(=O)C(=O)C,InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3,QSJXEFYPDANLFS-UHFFFAOYSA-N,C4H6O2,86.09,86.03677943,-1.3,34.1,71,0,0,2,1,6,"80 °F (NTP, 1992)","190 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,1,1,0
DIISOPROPYLAMINE,000108-18-9,7912,N-propan-2-ylpropan-2-amine,CC(C)NC(C)C,"InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3",UAOMVDZJSHZZME-UHFFFAOYSA-N,C6H15N,101.19,101.1204495,1.4,12,33,0,1,1,2,7,"30 °F (NTP, 1992)","183 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
PROPYL ETHER,000111-43-3,8114,1-propoxypropane,CCCOCCC,"InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3",POLCUAVZOMRGSN-UHFFFAOYSA-N,C6H14O,102.17,102.1044651,2,9.2,23,0,0,1,4,7,"70 °F (NFPA, 2010)",89-91 °C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
N-HEPTANE,000142-82-5,8900,heptane,CCCCCCC,"InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3",IMNFDUFMRHMDMM-UHFFFAOYSA-N,C7H16,100.2,100.1252005,4.4,0,19,0,0,0,4,7,"25 °F (USCG, 1999)","209.1 °F at 760 mmHg (USCG, 1999)",1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
METHYL N-BUTYRATE,000623-42-7,12180,methyl butanoate,CCCC(=O)OC,"InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3",UUIQMZJEGPQKFD-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,1.3,26.3,59,0,0,2,3,7,"57 °F (NTP, 1992)","216 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
ISOPROPYL ACETATE,000108-21-4,7915,propan-2-yl acetate,CC(C)OC(=O)C,"InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3",JMMWKPVZQRWMSS-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,0.9,26.3,66,0,0,2,2,7,"36 °F (NTP, 1992)","190 to 196 °F at 743.3 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
"1,2-DICHLOROETHYLENE",000540-59-0,10900,"1,2-dichloroethene",C(=CCl)Cl,InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H,KFUSEUYYWQURPO-UHFFFAOYSA-N,C2H2Cl2,96.94,95.9533555,1.9,0,19,0,0,0,0,4,"39 °F (NTP, 1992)","118 to 140 °F at 760 mmHg (NTP, 1992)",0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
ACROLEIN,000107-02-8,7847,prop-2-enal,C=CC=O,"InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2",HGINCPLSRVDWNT-UHFFFAOYSA-N,C3H4O,56.06,56.02621475,0,17.1,30,0,0,1,1,4,"-15 °F (EPA, 1998)","126 °F at 760 mmHg (EPA, 1998)",1,1,1,1,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
BIS-CHLOROMETHYL ETHER,000542-88-1,10967,chloro(chloromethoxy)methane,C(OCCl)Cl,InChI=1S/C2H4Cl2O/c3-1-5-2-4/h1-2H2,HRQGCQVOJVTVLU-UHFFFAOYSA-N,C2H4Cl2O,114.96,113.9639201,1.5,9.2,15,0,0,1,2,5,"Less than 66.2F (EPA, 1998)","223 °F at 760 mmHg (EPA, 1998)",0,1,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0
SEC-BUTYL ACETATE,000105-46-4,7758,butan-2-yl acetate,CCC(C)OC(=O)C,"InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3",DCKVNWZUADLDEH-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,1.7,26.3,78,0,0,2,3,8,"62 °F (USCG, 1999)","234 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
TERT-BUTYL ACETATE,000540-88-5,10908,tert-butyl acetate,CC(=O)OC(C)(C)C,"InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3",WMOVHXAZOJBABW-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,1.8,26.3,89,0,0,2,2,8,"72 °F (NIOSH, 2024)","208 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
CHLOROMETHYL ETHYL ETHER,003188-13-4,18523,chloromethoxyethane,CCOCCl,"InChI=1S/C3H7ClO/c1-2-5-3-4/h2-3H2,1H3",FCYRSDMGOLYDHL-UHFFFAOYSA-N,C3H7ClO,94.54,94.0185425,1.1,9.2,16,0,0,1,2,5,,83 °C,0,1,1,1,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0
METHYL ISOCYANATE,000624-83-9,12228,methylimino(oxo)methane,CN=C=O,InChI=1S/C2H3NO/c1-3-2-4/h1H3,HAMGRBXTJNITHG-UHFFFAOYSA-N,C2H3NO,57.05,57.02146372,1.1,29.4,44,0,0,2,0,4,"19 °F (EPA, 1998)","102 °F at 760 mmHg (EPA, 1998)",0,1,1,1,0,0,0,1,1,0,0,0,0,1,1,0,1,1,0,1
METHYL METHACRYLATE,000080-62-6,6658,methyl 2-methylprop-2-enoate,CC(=C)C(=O)OC,"InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3",VVQNEPGJFQJSBK-UHFFFAOYSA-N,C5H8O2,100.12,100.0524295,1.4,26.3,94,0,0,2,2,7,"50 °F (NTP, 1992)","213.8 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,1,0,1
NICKEL CARBONYL,013463-39-3,26039,carbon monoxide;nickel,[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ni],InChI=1S/4CO.Ni/c4*1-2;,AWDHUGLHGCVIEG-UHFFFAOYSA-N,C4NiO4,170.73,169.915,,4,10,0,0,4,0,9,"Less than -18C (EPA, 1998)","109 °F at 760 mmHg (EPA, 1998)",1,0,1,0,0,1,1,0,1,0,0,0,0,1,0,0,0,0,0,0
N-PROPYL NITRATE,000627-13-4,12307,propyl nitrate,CCCO[N+](=O)[O-],"InChI=1S/C3H7NO3/c1-2-3-7-4(5)6/h2-3H2,1H3",JNTOKFNBDFMTIV-UHFFFAOYSA-N,C3H7NO3,105.09,105.0425931,1.4,55.1,57,0,0,3,2,7,"68 °F (USCG, 1999)","231 °F at 760 mmHg (USCG, 1999)",0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0
"TRANS-1,2-DICHLOROETHYLENE",000156-60-5,638186,"(E)-1,2-dichloroethene",C(=C/Cl)\Cl,InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+,KFUSEUYYWQURPO-OWOJBTEDSA-N,C2H2Cl2,96.94,95.9533555,1.9,0,19,0,0,0,0,4,"43 °F (NTP, 1992)","117 °F at 745 mmHg (NTP, 1992)",0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
1-BROMO-3-METHYLBUTANE,000107-82-4,7891,1-bromo-3-methylbutane,CC(C)CCBr,"InChI=1S/C5H11Br/c1-5(2)3-4-6/h5H,3-4H2,1-2H3",YXZFFTJAHVMMLF-UHFFFAOYSA-N,C5H11Br,151.04,150.00441,2.7,0,25,0,0,0,2,6,-6 °C,120-121 °C,0,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,3-DIMETHYLBUTANE",000079-29-8,6589,"2,3-dimethylbutane",CC(C)C(C)C,"InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3",ZFFMLCVRJBZUDZ-UHFFFAOYSA-N,C6H14,86.18,86.10955045,3.4,0,21,0,0,0,1,6,"-20 °F (NTP, 1992)","136.4 °F at 760 mmHg (NTP, 1992)",0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
"2,3-PENTANEDIONE",000600-14-6,11747,"pentane-2,3-dione",CCC(=O)C(=O)C,"InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3",TZMFJUDUGYTVRY-UHFFFAOYSA-N,C5H8O2,100.12,100.0524295,0.1,34.1,94,0,0,2,2,7,19 °C (66 °F) - open cup,109.9 °C,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0
SEC-BUTYL BROMIDE,000078-76-2,6554,2-bromobutane,CCC(C)Br,"InChI=1S/C4H9Br/c1-3-4(2)5/h4H,3H2,1-2H3",UPSXAPQYNGXVBF-UHFFFAOYSA-N,C4H9Br,137.02,135.98876,2.3,0,19,0,0,0,1,5,"70 °F (USCG, 1999)","196.5 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
2-BROMOPROPANE,000075-26-3,6358,2-bromopropane,CC(C)Br,"InChI=1S/C3H7Br/c1-3(2)4/h3H,1-2H3",NAMYKGVDVNBCFQ-UHFFFAOYSA-N,C3H7Br,122.99,121.97311,1.8,0,10,0,0,0,0,4,71.6 °F,59-60 °C,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,1,0
3-METHYLPENTANE,000096-14-0,7282,3-methylpentane,CCC(C)CC,"InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3",PFEOZHBOMNWTJB-UHFFFAOYSA-N,C6H14,86.18,86.10955045,3.2,0,19,0,0,0,2,6,-6.6 °C,63.271 °C,0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
DIPROPYLAMINE,000142-84-7,8902,N-propylpropan-1-amine,CCCNCCC,"InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3",WEHWNAOGRSTTBQ-UHFFFAOYSA-N,C6H15N,101.19,101.1204495,1.7,12,23,0,1,1,4,7,"45 °F (USCG, 1999)","228.9 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
DIMETHYLDICHLOROSILANE,000075-78-5,6398,dichloro(dimethyl)silane,C[Si](C)(Cl)Cl,"InChI=1S/C2H6Cl2Si/c1-5(2,3)4/h1-2H3",LIKFHECYJZWXFJ-UHFFFAOYSA-N,C2H6Cl2Si,129.06,127.9615821,,0,30,0,0,0,0,5,"16 °F (EPA, 1998)","158 °F at 760 mmHg (EPA, 1998)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ETHYL CHLOROFORMATE,000541-41-3,10928,ethyl carbonochloridate,CCOC(=O)Cl,"InChI=1S/C3H5ClO2/c1-2-6-3(4)5/h2H2,1H3",RIFGWPKJUGCATF-UHFFFAOYSA-N,C3H5ClO2,108.52,107.9978071,1.5,26.3,52,0,0,2,2,6,"61 °F (USCG, 1999)","201 °F at 760 mmHg (USCG, 1999)",0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
ETHYL PROPIONATE,000105-37-3,7749,ethyl propanoate,CCC(=O)OCC,"InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3",FKRCODPIKNYEAC-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,1.2,26.3,59,0,0,2,3,7,"54 °F (USCG, 1999)","210 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
2-METHYLPROPANENITRILE,000078-82-0,6559,2-methylpropanenitrile,CC(C)C#N,"InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3",LRDFRRGEGBBSRN-UHFFFAOYSA-N,C4H7N,69.11,69.05784923,0.5,23.8,55,0,0,1,0,5,"47 °F (EPA, 1998)","219 °F at 760 mmHg (EPA, 1998)",0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TRANS-2-OCTENE,013389-42-9,5364448,(E)-oct-2-ene,CCCCC/C=C/C,"InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+",ILPBINAXDRFYPL-HWKANZROSA-N,C8H16,112.21,112.1252005,3.7,0,53,0,0,0,4,8,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
PROPYL FORMATE,000110-74-7,8073,propyl formate,CCCOC=O,"InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3",KFNNIILCVOLYIR-UHFFFAOYSA-N,C4H8O2,88.11,88.05242949,0.8,26.3,34,0,0,2,3,6,"27 °F (NFPA, 2010)",80.00 to 82.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
TERT-BUTYL HYPOCHLORITE,000507-40-4,521297,tert-butyl hypochlorite,CC(C)(C)OCl,"InChI=1S/C4H9ClO/c1-4(2,3)6-5/h1-3H3",IXZDIALLLMRYOU-UHFFFAOYSA-N,C4H9ClO,108.57,108.0341926,1.8,9.2,37,0,0,1,0,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,1,0,0,0
"1,3-DICHLOROPROPANE",000142-28-9,8881,"1,3-dichloropropane",C(CCl)CCl,InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2,YHRUOJUYPBUZOS-UHFFFAOYSA-N,C3H6Cl2,112.98,111.9846556,2,0,12,0,0,0,2,5,"70 °F (est.) (USCG, 1999)","248.7 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0
1-HEXANETHIOL,000111-31-9,8106,hexane-1-thiol,CCCCCCS,"InChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3",PMBXCGGQNSVESQ-UHFFFAOYSA-N,C6H14S,118.24,118.0816216,3.3,1,27,0,1,1,4,7,"68 °F (NIOSH, 2024)","304 °F at 760 mmHg (NIOSH, 2024)",0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TRIMETHYL ORTHOACETATE,001445-45-0,15050,"1,1,1-trimethoxyethane",CC(OC)(OC)OC,"InChI=1S/C5H12O3/c1-5(6-2,7-3)8-4/h1-4H3",HDPNBNXLBDFELL-UHFFFAOYSA-N,C5H12O3,120.15,120.0786442,0.2,27.7,50,0,0,3,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0
"N,N,N',N'-TETRAMETHYLETHYLENEDIAMINE",000110-18-9,8037,"N,N,N',N'-tetramethylethane-1,2-diamine",CN(C)CCN(C)C,"InChI=1S/C6H16N2/c1-7(2)5-6-8(3)4/h5-6H2,1-4H3",KWYHDKDOAIKMQN-UHFFFAOYSA-N,C6H16N2,116.2,116.1313485,0.3,6.5,42,0,0,2,3,8,"50 °F (NTP, 1992)","250 to 252 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
CHOLINE,000062-49-7,305,2-hydroxyethyl(trimethyl)azanium,C[N+](C)(C)CCO,"InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1",OEYIOHPDSNJKLS-UHFFFAOYSA-N,C5H14NO+,104.17,104.1075391,-0.4,20.2,46,1,1,1,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,1,0,0,1,0,0,1
BORANE-METHYL SULFIDE COMPLEX,013292-87-0,9833925,,[B].CSC,InChI=1S/C2H6S.B/c1-3-2;/h1-2H3;,MCQRPQCQMGVWIQ-UHFFFAOYSA-N,C2H6BS,72.95,73.0283265,,25.3,2,0,0,1,0,4,,,0,1,0,1,0,0,1,1,1,0,0,0,0,1,0,0,1,0,0,1
TRIMETHYLSILYL CYANIDE,007677-24-9,82115,trimethylsilylformonitrile,C[Si](C)(C)C#N,"InChI=1S/C4H9NSi/c1-6(2,3)4-5/h1-3H3",LEIMLDGFXIOXMT-UHFFFAOYSA-N,C4H9NSi,99.21,99.05042583,,23.8,81,0,0,1,0,6,,,1,1,1,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
3-METHYL-2-PENTENE,000922-61-2,12014,3-methylpent-2-ene,CCC(=CC)C,"InChI=1S/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3",BEQGRRJLJLVQAQ-UHFFFAOYSA-N,C6H12,84.16,84.09390038,2.7,0,51,0,0,0,1,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
DIMETHYL SULFIDE,000075-18-3,1068,methylsulfanylmethane,CSC,InChI=1S/C2H6S/c1-3-2/h1-2H3,QMMFVYPAHWMCMS-UHFFFAOYSA-N,C2H6S,62.14,62.01902136,0.9,25.3,2,0,0,1,0,3,"-36 °F (USCG, 1999)","99 °F at 760 mmHg (USCG, 1999)",0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,4-DIMETHYLPENTANE",000108-08-7,7907,"2,4-dimethylpentane",CC(C)CC(C)C,"InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3",BZHMBWZPUJHVEE-UHFFFAOYSA-N,C7H16,100.2,100.1252005,3.4,0,29,0,0,0,2,7,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
NEOHEXENE,000558-37-2,11210,"3,3-dimethylbut-1-ene",CC(C)(C)C=C,"InChI=1S/C6H12/c1-5-6(2,3)4/h5H,1H2,2-4H3",PKXHXOTZMFCXSH-UHFFFAOYSA-N,C6H12,84.16,84.09390038,2.7,0,45,0,0,0,1,6,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-HEPTENE,000592-76-7,11610,hept-1-ene,CCCCCC=C,"InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3",ZGEGCLOFRBLKSE-UHFFFAOYSA-N,C7H14,98.19,98.10955045,4,0,37,0,0,0,4,7,"25 °F (USCG, 1999)","200.5 °F at 760 mmHg (USCG, 1999)",1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
DIETHYL CHLOROPHOSPHITE,000589-57-1,68530,chloro(diethoxy)phosphane,CCOP(OCC)Cl,"InChI=1S/C4H10ClO2P/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3",TXHWYSOQHNMOOU-UHFFFAOYSA-N,C4H10ClO2P,156.55,156.0106942,1.5,18.5,47,0,0,2,4,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"ALPHA,ALPHA-DICHLOROMETHYL METHYL ETHER",004885-02-3,21004,dichloro(methoxy)methane,COC(Cl)Cl,"InChI=1S/C2H4Cl2O/c1-5-2(3)4/h2H,1H3",GRTGGSXWHGKRSB-UHFFFAOYSA-N,C2H4Cl2O,114.96,113.9639201,1.5,9.2,21,0,0,1,1,5,,,0,1,1,1,0,1,0,1,1,0,0,0,0,0,0,0,1,0,0,1
HEXAMETHYLDISILAZANE,000999-97-3,13838,[dimethyl-(trimethylsilylamino)silyl]methane,C[Si](C)(C)N[Si](C)(C)C,"InChI=1S/C6H19NSi2/c1-8(2,3)7-9(4,5)6/h7H,1-6H3",FFUAGWLWBBFQJT-UHFFFAOYSA-N,C6H19NSi2,161.39,161.1056027,,12,76,0,1,1,2,9,"48 °F (NFPA, 2010)",125 °C,0,1,1,1,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
2-METHYL-2-PROPANETHIOL,000075-66-1,6387,2-methylpropane-2-thiol,CC(C)(C)S,"InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3",WMXCDAVJEZZYLT-UHFFFAOYSA-N,C4H10S,90.19,90.05032149,1.5,1,25,0,1,1,0,5,"less than -20 °F (NFPA, 2010)","149-153 °F at 760 mmHg (NFPA, 2010)",0,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0
TERT-BUTYL METHYL ETHER,001634-04-4,15413,2-methoxy-2-methylpropane,CC(C)(C)OC,"InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3",BZLVMXJERCGZMT-UHFFFAOYSA-N,C5H12O,88.15,88.088815,0.9,9.2,33,0,0,1,1,6,"-14 °F (USCG, 1999)","131.4 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
NEOPENTYLAMINE,005813-64-9,79882,"2,2-dimethylpropan-1-amine",CC(C)(C)CN,"InChI=1S/C5H13N/c1-5(2,3)4-6/h4,6H2,1-3H3",XDIAMRVROCPPBK-UHFFFAOYSA-N,C5H13N,87.16,87.10479942,1,26,33,0,1,1,1,6,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"1,5-HEXADIENE",000592-42-7,11598,"hexa-1,5-diene",C=CCCC=C,"InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2",PYGSKMBEVAICCR-UHFFFAOYSA-N,C6H10,82.14,82.07825032,2.9,0,36,0,0,0,3,6,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,4-HEXADIENE",000592-45-0,11599,"hexa-1,4-diene",CC=CCC=C,"InChI=1S/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3",PRBHEGAFLDMLAL-UHFFFAOYSA-N,C6H10,82.14,82.07825032,2.4,0,51,0,0,0,2,6,-21 °C,65 °C @ 760 mm Hg,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,3-HEXADIENE",000592-48-3,39175,"(3E)-hexa-1,3-diene",CC/C=C/C=C,"InChI=1S/C6H10/c1-3-5-6-4-2/h3,5-6H,1,4H2,2H3/b6-5+",AHAREKHAZNPPMI-AATRIKPKSA-N,C6H10,82.14,82.07825032,3.2,0,51,0,0,0,2,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TRANS-3-HEXENE,013269-52-8,638066,(E)-hex-3-ene,CC/C=C/CC,"InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5+",ZQDPJFUHLCOCRG-AATRIKPKSA-N,C6H12,84.16,84.09390038,2.5,0,29,0,0,0,2,6,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
CIS-2-HEPTENE,006443-92-1,643836,(Z)-hept-2-ene,CCCC/C=C\C,"InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3-",OTTZHAVKAVGASB-HYXAFXHYSA-N,C7H14,98.19,98.10955045,3.2,0,44,0,0,0,3,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
CIS-3-HEPTENE,007642-10-6,5357258,(Z)-hept-3-ene,CCC/C=C\CC,"InChI=1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3/b7-5-",WZHKDGJSXCTSCK-ALCCZGGFSA-N,C7H14,98.19,98.10955045,3.1,0,44,0,0,0,3,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"2,2-DIMETHYLBUTANE",000075-83-2,6403,"2,2-dimethylbutane",CCC(C)(C)C,"InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3",HNRMPXKDFBEGFZ-UHFFFAOYSA-N,C6H14,86.18,86.10955045,3,0,29,0,0,0,1,6,"-54 °F (NTP, 1992)","121.5 °F at 760 mmHg (NTP, 1992)",0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
3-HEXYNE,000928-49-4,13568,hex-3-yne,CCC#CCC,"InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3",DQQNMIPXXNPGCV-UHFFFAOYSA-N,C6H10,82.14,82.07825032,2.3,0,60,0,0,0,0,6,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-HEXYNE,000764-35-2,33629,hex-2-yne,CCCC#CC,"InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3",MELUCTCJOARQQG-UHFFFAOYSA-N,C6H10,82.14,82.07825032,2.4,0,68,0,0,0,1,6,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TRANS-2-HEPTENE,014686-13-6,639662,(E)-hept-2-ene,CCCC/C=C/C,"InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3+",OTTZHAVKAVGASB-HWKANZROSA-N,C7H14,98.19,98.10955045,3.2,0,44,0,0,0,3,7,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
MAGNESIUM DIMETHOXIDE,027428-49-5,164537,magnesium methanolate,C[O-].C[O-].[Mg+2],InChI=1S/2CH3O.Mg/c2*1-2;/h2*1H3;/q2*-1;+2,CRGZYKWWYNQGEC-UHFFFAOYSA-N,C2H6MgO2,86.37,86.0218211,,46.1,2,0,0,2,0,5,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
DIMETHYLDIETHOXYSILANE,000078-62-6,62322,diethoxy(dimethyl)silane,CCO[Si](C)(C)OCC,"InChI=1S/C6H16O2Si/c1-5-7-9(3,4)8-6-2/h5-6H2,1-4H3",YYLGKUPAFFKGRQ-UHFFFAOYSA-N,C6H16O2Si,148.28,148.0919563,,18.5,65,0,0,2,4,9,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ETHYLALUMINUM DICHLORIDE,000563-43-9,11237,dichloro(ethyl)alumane,CC[Al](Cl)Cl,"InChI=1S/C2H5.Al.2ClH/c1-2;;;/h1H2,2H3;;2*1H/q;+2;;/p-2",UAIZDWNSWGTKFZ-UHFFFAOYSA-L,C2H5AlCl2,126.95,125.958369,,0,21,0,0,0,0,5,,"381 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
TRIETHYLBORANE,000097-94-9,7357,triethylborane,B(CC)(CC)CC,"InChI=1S/C6H15B/c1-4-7(5-2)6-3/h4-6H2,1-3H3",LALRXNPLTWZJIJ-UHFFFAOYSA-N,C6H15B,98,98.1266806,,0,25,0,0,0,3,7,-33 °F (-36 dec C) (open cup) /table/,95 °C,0,0,1,1,0,0,0,1,1,0,0,0,0,1,0,0,1,0,0,0
ACETONITRILE-D3,002206-26-0,123151,"2,2,2-trideuterioacetonitrile",[2H]C([2H])([2H])C#N,InChI=1S/C2H3N/c1-2-3/h1H3/i1D3,WEVYAHXRMPXWCK-FIBGUPNXSA-N,C2H3N,44.07,44.04537934,0,23.8,29,0,0,1,0,3,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
TRIETHYL BORATE,000150-46-9,9009,triethyl borate,B(OCC)(OCC)OCC,"InChI=1S/C6H15BO3/c1-4-8-7(9-5-2)10-6-3/h4-6H2,1-3H3",AJSTXXYNEIHPMD-UHFFFAOYSA-N,C6H15BO3,145.99,146.1114245,,27.7,55,0,0,3,6,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,1,0,0,1,0,0,1
TRICHLOROVINYLSILANE,000075-94-5,6413,trichloro(ethenyl)silane,C=C[Si](Cl)(Cl)Cl,"InChI=1S/C2H3Cl3Si/c1-2-6(3,4)5/h2H,1H2",GQIUQDDJKHLHTB-UHFFFAOYSA-N,C2H3Cl3Si,161.48,159.90696,,0,54,0,0,0,0,6,"70 °F (NFPA, 2010)","195.1 °F at 760 mmHg (USCG, 1999)",0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
METHYL-D3 ALCOHOL-D,000811-98-3,71568,trideuterio(deuteriooxy)methane,[2H]C([2H])([2H])O[2H],"InChI=1S/CH4O/c1-2/h2H,1H3/i1D3,2D",OKKJLVBELUTLKV-MZCSYVLQSA-N,CH4O,36.066,36.05132173,-0.5,20.2,2,0,1,1,0,2,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
TETRAMETHYLTIN,000594-27-4,11661,tetramethylstannane,C[Sn](C)(C)C,InChI=1S/4CH3.Sn/h4*1H3;,VXKWYPOMXBVZSJ-UHFFFAOYSA-N,C4H12Sn,178.85,179.996103,,0,19,0,0,0,0,5,,,1,1,1,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
PROPARGYL CHLORIDE,000624-65-7,12221,3-chloroprop-1-yne,C#CCCl,"InChI=1S/C3H3Cl/c1-2-3-4/h1H,3H2",LJZPPWWHKPGCHS-UHFFFAOYSA-N,C3H3Cl,74.51,73.9923278,0.9,0,38,0,0,0,0,4,,,0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
AZIDOTRIMETHYLSILANE,004648-54-8,78378,azido(trimethyl)silane,C[Si](C)(C)N=[N+]=[N-],"InChI=1S/C3H9N3Si/c1-7(2,3)6-5-4/h1-3H3",SEDZOYHHAIAQIW-UHFFFAOYSA-N,C3H9N3Si,115.21,115.0565738,,14.4,97,0,0,2,1,7,,,1,1,1,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
ACETONE-D6,000666-52-4,522220,"1,1,1,3,3,3-hexadeuteriopropan-2-one",[2H]C([2H])([2H])C(=O)C([2H])([2H])[2H],"InChI=1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3",CSCPPACGZOOCGX-WFGJKAKNSA-N,C3H6O,64.12,64.07952529,-0.1,17.1,26,0,0,1,0,4,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
ISOBUTYL IODIDE,000513-38-2,10556,1-iodo-2-methylpropane,CC(C)CI,"InChI=1S/C4H9I/c1-4(2)3-5/h4H,3H2,1-2H3",BTUGGGLMQBJCBN-UHFFFAOYSA-N,C4H9I,184.02,183.9749,2.8,0,17,0,0,0,1,5,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,1-DIMETHOXY-N,N-DIMETHYLMETHANAMINE",004637-24-5,78373,"1,1-dimethoxy-N,N-dimethylmethanamine",CN(C)C(OC)OC,"InChI=1S/C5H13NO2/c1-6(2)5(7-3)8-4/h5H,1-4H3",ZSXGLVDWWRXATF-UHFFFAOYSA-N,C5H13NO2,119.16,119.0946287,0.2,21.7,52,0,0,3,3,8,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,1
BIS(TRIMETHYLSILYL)TRIFLUOROACETAMIDE,025561-30-2,94358,"trimethylsilyl 2,2,2-trifluoro-N-trimethylsilylethanimidate",C[Si](C)(C)N=C(C(F)(F)F)O[Si](C)(C)C,"InChI=1S/C8H18F3NOSi2/c1-14(2,3)12-7(8(9,10)11)13-15(4,5)6/h1-6H3",XCOBLONWWXQEBS-UHFFFAOYSA-N,C8H18F3NOSi2,257.4,257.0879018,,21.6,250,0,0,5,3,15,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,2-BIS(DIMETHYLPHOSPHINO)ETHANE",023936-60-9,141059,2-dimethylphosphanylethyl(dimethyl)phosphane,CP(C)CCP(C)C,"InChI=1S/C6H16P2/c1-7(2)5-6-8(3)4/h5-6H2,1-4H3",ZKWQSBFSGZJNFP-UHFFFAOYSA-N,C6H16P2,150.14,150.0727245,-0.4,0,42,0,0,0,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-IODOBUTANE,000513-48-4,10559,2-iodobutane,CCC(C)I,"InChI=1S/C4H9I/c1-3-4(2)5/h4H,3H2,1-2H3",IQRUSQUYPCHEKN-UHFFFAOYSA-N,C4H9I,184.02,183.9749,2.8,0,19,0,0,0,1,5,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-METHOXYETHYLAMINE,000109-85-3,8018,2-methoxyethanamine,COCCN,"InChI=1S/C3H9NO/c1-5-3-2-4/h2-4H2,1H3",ASUDFOJKTJLAIK-UHFFFAOYSA-N,C3H9NO,75.11,75.06841391,-0.9,35.3,16,0,1,2,2,5,,,0,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
ALLYL IODIDE,000556-56-9,11166,3-iodoprop-1-ene,C=CCI,"InChI=1S/C3H5I/c1-2-3-4/h2H,1,3H2",HFEHLDPGIKPNKL-UHFFFAOYSA-N,C3H5I,167.98,167.9436,2.1,0,17,0,0,0,1,4,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
4-BROMO-1-BUTENE,005162-44-7,21241,4-bromobut-1-ene,C=CCCBr,"InChI=1S/C4H7Br/c1-2-3-4-5/h2H,1,3-4H2",DMAYBPBPEUFIHJ-UHFFFAOYSA-N,C4H7Br,135,133.97311,2.1,0,24,0,0,0,2,5,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1
PROPARGYLAMINE,002450-71-7,239041,prop-2-yn-1-amine,C#CCN,"InChI=1S/C3H5N/c1-2-3-4/h1H,3-4H2",JKANAVGODYYCQF-UHFFFAOYSA-N,C3H5N,55.08,55.04219916,-0.4,26,38,0,1,1,0,4,,,0,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"TRIMETHYL ORTHOFORMATE, ANHYDROUS",000149-73-5,9005,trimethoxymethane,COC(OC)OC,"InChI=1S/C4H10O3/c1-5-4(6-2)7-3/h4H,1-3H3",PYOKUURKVVELLB-UHFFFAOYSA-N,C4H10O3,106.12,106.0629942,0.2,27.7,28,0,0,3,3,7,,100.6 °C @ 760 MM HG,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
HEXAMETHYLDISILOXANE,000107-46-0,24764,trimethyl(trimethylsilyloxy)silane,C[Si](C)(C)O[Si](C)(C)C,"InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3",UQEAIHBTYFGYIE-UHFFFAOYSA-N,C6H18OSi2,162.38,162.0896183,,9.2,76,0,0,1,2,9,-30 °C,99 °C,1,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,1-DICHLOROPROPENE",000563-58-6,11245,"1,1-dichloroprop-1-ene",CC=C(Cl)Cl,"InChI=1S/C3H4Cl2/c1-2-3(4)5/h2H,1H3",ZAIDIVBQUMFXEC-UHFFFAOYSA-N,C3H4Cl2,110.97,109.9690055,2.6,0,42,0,0,0,0,5,,,0,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
THIOLACETIC ACID,000507-09-5,10484,ethanethioic S-acid,CC(=O)S,"InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)",DUYAAUVXQSMXQP-UHFFFAOYSA-N,C2H4OS,76.12,75.99828592,0.3,18.1,33,0,1,2,0,4,,88.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,0
2-CHLORO-2-METHYLBUTANE,000594-36-5,61143,2-chloro-2-methylbutane,CCC(C)(C)Cl,"InChI=1S/C5H11Cl/c1-4-5(2,3)6/h4H2,1-3H3",CRNIHJHMEQZAAS-UHFFFAOYSA-N,C5H11Cl,106.59,106.054928,2.5,0,39,0,0,0,1,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
3-CHLORO-2-METHYLPROPENE,000563-47-3,11241,3-chloro-2-methylprop-1-ene,CC(=C)CCl,"InChI=1S/C4H7Cl/c1-4(2)3-5/h1,3H2,2H3",OHXAOPZTJOUYKM-UHFFFAOYSA-N,C4H7Cl,90.55,90.0236279,2.1,0,38,0,0,0,1,5,"9 °F (NTP, 1992)","160 to 162 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,1,0,1,0,0,0,0,0,0,0,1,1,0,0
ALLYL ETHER,000557-40-4,11194,3-prop-2-enoxyprop-1-ene,C=CCOCC=C,"InChI=1S/C6H10O/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2",ATVJXMYDOSMEPO-UHFFFAOYSA-N,C6H10O,98.14,98.07316494,1.4,9.2,49,0,0,1,4,7,"20 °F (NFPA, 2010)",94  °C,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-METHYL-2-PROPAN(OL,D)",003972-25-6,517695,2-deuteriooxy-2-methylpropane,[2H]OC(C)(C)C,"InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3/i5D",DKGAVHZHDRPRBM-UICOGKGYSA-N,C4H10O,75.13,75.07944168,0.5,20.2,25,0,1,1,0,5,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
5-CHLORO-1-PENTYNE,014267-92-6,84308,5-chloropent-1-yne,C#CCCCCl,"InChI=1S/C5H7Cl/c1-2-3-4-5-6/h1H,3-5H2",UXFIKVWAAMKFQE-UHFFFAOYSA-N,C5H7Cl,102.56,102.0236279,1.8,0,57,0,0,0,2,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,4-DIMETHYL-3-PENTANONE",000565-80-0,11271,"2,4-dimethylpentan-3-one",CC(C)C(=O)C(C)C,"InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3",HXVNBWAKAOHACI-UHFFFAOYSA-N,C7H14O,114.19,114.1044651,1.9,17.1,72,0,0,1,2,8,,125.40 °C. @ 760.00 mm Hg,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
METHYLTRIMETHOXYSILANE,001185-55-3,14456,trimethoxy(methyl)silane,CO[Si](C)(OC)OC,"InChI=1S/C4H12O3Si/c1-5-8(4,6-2)7-3/h1-4H3",BFXIKLCIZHOAAZ-UHFFFAOYSA-N,C4H12O3Si,136.22,136.0555708,,27.7,54,0,0,3,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,1
ACRYLYL CHLORIDE,000814-68-6,13140,prop-2-enoyl chloride,C=CC(=O)Cl,"InChI=1S/C3H3ClO/c1-2-3(4)5/h2H,1H2",HFBMWMNUJJDEQZ-UHFFFAOYSA-N,C3H3ClO,90.51,89.9872424,1.4,17.1,57,0,0,1,1,5,14 °C (57 °F) - closed cup,"167 °F at 760 mmHg (EPA, 1998)",1,1,1,1,0,0,0,1,1,0,0,1,0,0,0,0,1,0,0,0
1-CHLORO-3-METHYL-2-BUTENE,000503-60-6,10429,1-chloro-3-methylbut-2-ene,CC(=CCCl)C,"InChI=1S/C5H9Cl/c1-5(2)3-4-6/h3H,4H2,1-2H3",JKXQKGNGJVZKFA-UHFFFAOYSA-N,C5H9Cl,104.58,104.039278,2.3,0,51,0,0,0,1,6,,109 °C @ 760 MM HG,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ISOBUTYLAMINE,000078-81-9,6558,2-methylpropan-1-amine,CC(C)CN,"InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3",KDSNLYIMUZNERS-UHFFFAOYSA-N,C4H11N,73.14,73.08914936,0.7,26,17,0,1,1,1,5,"15 °F (NTP, 1992)","154 to 156 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TETRAVINYLSILANE,001112-55-6,66188,tetrakis(ethenyl)silane,C=C[Si](C=C)(C=C)C=C,"InChI=1S/C8H12Si/c1-5-9(6-2,7-3)8-4/h5-8H,1-4H2",UFHILTCGAOPTOV-UHFFFAOYSA-N,C8H12Si,136.27,136.0708269,,0,107,0,0,0,4,9,,,1,0,1,0,0,0,1,1,1,0,0,0,0,1,0,0,1,0,0,1
METHACROLEIN,000078-85-3,6562,2-methylprop-2-enal,CC(=C)C=O,"InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3",STNJBCKSHOAVAJ-UHFFFAOYSA-N,C4H6O,70.09,70.04186481,0.7,17.1,54,0,0,1,1,5,"35 °F (NFPA, 2010)",68.4 °C,1,1,1,1,0,0,1,1,1,0,1,0,0,0,0,0,1,0,0,0
TRIETHYLSILANE,000617-86-7,12052,triethylsilane,CC[SiH](CC)CC,"InChI=1S/C6H16Si/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3",AQRLNPVMDITEJU-UHFFFAOYSA-N,C6H16Si,116.28,116.102127,,0,25,0,0,0,3,7,,,1,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"3,3-DIETHYLPENTANE",001067-20-5,14020,"3,3-diethylpentane",CCC(CC)(CC)CC,"InChI=1S/C9H20/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3",BGXXXYLRPIRDHJ-UHFFFAOYSA-N,C9H20,128.25,128.1565006,4.7,0,42,0,0,0,4,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
TETRAKIS(DIETHYLAMINO)TITANIUM,004419-47-0,123216,tetrakis(diethylazanide);titanium(4+),CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.[Ti+4],"InChI=1S/4C4H10N.Ti/c4*1-3-5-4-2;/h4*3-4H2,1-2H3;/q4*-1;+4",VJDVOZLYDLHLSM-UHFFFAOYSA-N,C16H40N4Ti,336.38,336.273238,,4,74,0,0,4,8,21,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"N,N-DIETHYLTRIMETHYLSILYLAMINE",000996-50-9,70454,N-ethyl-N-trimethylsilylethanamine,CCN(CC)[Si](C)(C)C,"InChI=1S/C7H19NSi/c1-6-8(7-2)9(3,4)5/h6-7H2,1-5H3",JOOMLFKONHCLCJ-UHFFFAOYSA-N,C7H19NSi,145.32,145.1286761,,3.2,71,0,0,1,3,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
BUTYRYL CHLORIDE,000141-75-3,8855,butanoyl chloride,CCCC(=O)Cl,"InChI=1S/C4H7ClO/c1-2-3-4(5)6/h2-3H2,1H3",DVECBJCOGJRVPX-UHFFFAOYSA-N,C4H7ClO,106.55,106.0185425,1.6,17.1,51,0,0,1,2,6,"71 °F (NTP, 1992)","216 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
TETRAMETHYLGERMANIUM,000865-52-1,70079,tetramethylgermane,C[Ge](C)(C)C,"InChI=1S/C4H12Ge/c1-5(2,3)4/h1-4H3",ZRLCXMPFXYVHGS-UHFFFAOYSA-N,C4H12Ge,132.77,134.0150781,,0,19,0,0,0,0,5,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
OCTANE-D18,017252-77-6,519375,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecadeuteriooctane",[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H],"InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2",TVMXDCGIABBOFY-VAZJTQEUSA-N,C8H18,132.34,132.253832,3.9,0,25,0,0,0,5,8,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
PIPERYLENE,000504-60-9,62204,"(3E)-penta-1,3-diene",C/C=C/C=C,"InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+",PMJHHCWVYXUKFD-SNAWJCMRSA-N,C5H8,68.12,68.06260026,2.4,0,42,0,0,0,1,5,"-20 °F (USCG, 1999)","109 °F at 760 mmHg (NFPA, 2010)",0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
1-FLUOROHEPTANE,000661-11-0,12619,1-fluoroheptane,CCCCCCCF,"InChI=1S/C7H15F/c1-2-3-4-5-6-7-8/h2-7H2,1H3",BITLXSQYFZTQGC-UHFFFAOYSA-N,C7H15F,118.19,118.1157786,3.9,0,35,0,0,1,5,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,2,4,4-TETRAMETHYLPENTANE",001070-87-7,14058,"2,2,4,4-tetramethylpentane",CC(C)(C)CC(C)(C)C,"InChI=1S/C9H20/c1-8(2,3)7-9(4,5)6/h7H2,1-6H3",GUMULFRCHLJNDY-UHFFFAOYSA-N,C9H20,128.25,128.1565006,4.2,0,65,0,0,0,2,9,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-BROMOPENTANE,001809-10-5,15738,3-bromopentane,CCC(CC)Br,"InChI=1S/C5H11Br/c1-3-5(6)4-2/h5H,3-4H2,1-2H3",VTOQFOCYBTVOJZ-UHFFFAOYSA-N,C5H11Br,151.04,150.00441,2.8,0,23,0,0,0,2,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-BROMO-2-FLUOROETHANE,000762-49-2,12982,1-bromo-2-fluoroethane,C(CBr)F,InChI=1S/C2H4BrF/c3-1-2-4/h1-2H2,JTLAIKFGRHDNQM-UHFFFAOYSA-N,C2H4BrF,126.96,125.94804,1.3,0,10,0,0,1,1,4,,71-72 °C at 760 mm Hg,0,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
DIMETHYLAMINOSULFUR TRIFLUORIDE,003880-03-3,123203,N-methyl-N-(trifluoro-lambda4-sulfanyl)methanamine,CN(C)S(F)(F)F,"InChI=1S/C2H6F3NS/c1-6(2)7(3,4)5/h1-2H3",SAVQQRYWWAGSQW-UHFFFAOYSA-N,C2H6F3NS,133.14,133.0173049,2.8,4.2,58,0,0,5,0,7,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
HEXAMETHYLDISILANE,001450-14-2,74057,trimethyl(trimethylsilyl)silane,C[Si](C)(C)[Si](C)(C)C,"InChI=1S/C6H18Si2/c1-7(2,3)8(4,5)6/h1-6H3",NEXSMEBSBIABKL-UHFFFAOYSA-N,C6H18Si2,146.38,146.0947036,,0,61,0,0,0,1,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1
2-CHLOROETHYL METHYL ETHER,000627-42-9,12316,1-chloro-2-methoxyethane,COCCCl,"InChI=1S/C3H7ClO/c1-5-3-2-4/h2-3H2,1H3",XTIGGAHUZJWQMD-UHFFFAOYSA-N,C3H7ClO,94.54,94.0185425,0.7,9.2,16,0,0,1,2,5,,92-93 °C,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2,3-DIMETHYL-1,3-BUTADIENE",000513-81-5,10566,"2,3-dimethylbuta-1,3-diene",CC(=C)C(=C)C,"InChI=1S/C6H10/c1-5(2)6(3)4/h1,3H2,2,4H3",SDJHPPZKZZWAKF-UHFFFAOYSA-N,C6H10,82.14,82.07825032,3.1,0,66,0,0,0,1,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
2-METHYL PENTENE-1,000763-29-1,12986,2-methylpent-1-ene,CCCC(=C)C,"InChI=1S/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3",WWUVJRULCWHUSA-UHFFFAOYSA-N,C6H12,84.16,84.09390038,3,0,44,0,0,0,2,6,"-15 °F (est.) (USCG, 1999)","143.8 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
3-METHYLHEXANE,000589-34-4,11507,3-methylhexane,CCCC(C)CC,"InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3",VLJXXKKOSFGPHI-UHFFFAOYSA-N,C7H16,100.2,100.1252005,3.7,0,31,0,0,0,3,7,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
"2,3-DIMETHYLPENTANE",000565-59-3,11260,"2,3-dimethylpentane",CCC(C)C(C)C,"InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3",WGECXQBGLLYSFP-UHFFFAOYSA-N,C7H16,100.2,100.1252005,3.4,0,37,0,0,0,2,7,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
3-METHYLHEPTANE,000589-81-1,11519,3-methylheptane,CCCCC(C)CC,"InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3",LAIUFBWHERIJIH-UHFFFAOYSA-N,C8H18,114.23,114.1408506,4.3,0,39,0,0,0,4,8,,118.00 °C. @ 760.00 mm Hg,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
"2,2,5-TRIMETHYLHEXANE",003522-94-9,19041,"2,2,5-trimethylhexane",CC(C)CCC(C)(C)C,"InChI=1S/C9H20/c1-8(2)6-7-9(3,4)5/h8H,6-7H2,1-5H3",HHOSMYBYIHNXNO-UHFFFAOYSA-N,C9H20,128.25,128.1565006,4.4,0,64,0,0,0,3,9,,,0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
"2,4,4-TRIMETHYL-2-PENTENE",000107-40-4,7869,"2,4,4-trimethylpent-2-ene",CC(=CC(C)(C)C)C,"InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3",LAAVYEUJEMRIGF-UHFFFAOYSA-N,C8H16,112.21,112.1252005,3.6,0,87,0,0,0,1,8,1.7 °C,104.9 °C,0,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
2-PENTENE,000109-68-2,12585,pent-2-ene,CCC=CC,"InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3",QMMOXUPEWRXHJS-UHFFFAOYSA-N,C5H10,70.13,70.07825032,2.1,0,27,0,0,0,1,5,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-METHYL-3-BUTYN-2-OL,000115-19-5,8258,2-methylbut-3-yn-2-ol,CC(C)(C#C)O,"InChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3",CEBKHWWANWSNTI-UHFFFAOYSA-N,C5H8O,84.12,84.05751487,0.3,20.2,83,0,1,1,1,6,"77 °F (USCG, 1999)","219.2 to 221 °F at 760 mmHg (USCG, 1999)",0,0,0,1,0,0,0,1,1,0,0,0,0,1,0,0,1,0,0,1
2-PENTYNE,000627-21-4,12310,pent-2-yne,CCC#CC,"InChI=1S/C5H8/c1-3-5-4-2/h3H2,1-2H3",NKTDTMONXHODTI-UHFFFAOYSA-N,C5H8,68.12,68.06260026,1.9,0,58,0,0,0,0,5,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
HEXACHLORODISILOXANE,014986-21-1,84745,trichloro(trichlorosilyloxy)silane,O([Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl,"InChI=1S/Cl6OSi2/c1-8(2,3)7-9(4,5)6",QHAHOIWVGZZELU-UHFFFAOYSA-N,Cl6OSi2,284.9,283.758934,,9.2,76,0,0,1,0,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
ETHYLTRICHLOROSILANE,000115-21-9,8260,trichloro(ethyl)silane,CC[Si](Cl)(Cl)Cl,"InChI=1S/C2H5Cl3Si/c1-2-6(3,4)5/h2H2,1H3",ZOYFEXPFPVDYIS-UHFFFAOYSA-N,C2H5Cl3Si,163.5,161.92261,,0,38,0,0,0,0,6,"72 °F (EPA, 1998)","208 °F at 760 mmHg (EPA, 1998)",0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
ETHYL ALCOHOL-D,000925-93-9,123093,deuteriooxyethane,[2H]OCC,"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i3D",LFQSCWFLJHTTHZ-WFVSFCRTSA-N,C2H6O,47.07,47.04814156,-0.1,20.2,2,0,1,1,0,3,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
SODIUM ISOPROPOXIDE,000683-60-3,10920443,sodium propan-2-olate,CC(C)[O-].[Na+],"InChI=1S/C3H7O.Na/c1-3(2)4;/h3H,1-2H3;/q-1;+1",WBQTXTBONIWRGK-UHFFFAOYSA-N,C3H7NaO,82.08,82.03945912,,23.1,14,0,0,1,0,5,,,0,0,0,0,0,1,0,1,1,1,0,0,0,0,0,0,1,0,0,1
TRIMETHYLACETALDEHYDE,000630-19-3,12417,"2,2-dimethylpropanal",CC(C)(C)C=O,"InChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3",FJJYHTVHBVXEEQ-UHFFFAOYSA-N,C5H10O,86.13,86.07316494,1.1,17.1,49,0,0,1,1,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
S-ETHYL TRIFLUOROTHIOACETATE,000383-64-2,67844,"S-ethyl 2,2,2-trifluoroethanethioate",CCSC(=O)C(F)(F)F,"InChI=1S/C4H5F3OS/c1-2-9-3(8)4(5,6)7/h2H2,1H3",VGGUKFAVHPGNBF-UHFFFAOYSA-N,C4H5F3OS,158.14,158.0013204,2.1,42.4,109,0,0,5,2,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TERT-BUTYL CHLORIDE,000507-20-0,10486,2-chloro-2-methylpropane,CC(C)(C)Cl,"InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3",NBRKLOOSMBRFMH-UHFFFAOYSA-N,C4H9Cl,92.57,92.039278,1.8,0,25,0,0,0,0,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
ETHYL TRIFLUOROACETATE,000383-63-1,9794,"ethyl 2,2,2-trifluoroacetate",CCOC(=O)C(F)(F)F,"InChI=1S/C4H5F3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3",STSCVKRWJPWALQ-UHFFFAOYSA-N,C4H5F3O2,142.08,142.0241639,1.2,26.3,107,0,0,5,2,9,,,0,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,2-DIMETHYLPROPANENITRILE",000630-18-2,12416,"2,2-dimethylpropanenitrile",CC(C)(C)C#N,"InChI=1S/C5H9N/c1-5(2,3)4-6/h1-3H3",JAMNHZBIQDNHMM-UHFFFAOYSA-N,C5H9N,83.13,83.07349929,1.1,23.8,77,0,0,1,0,6,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TRIMETHYLGALLIUM,001445-79-0,15051,trimethylgallane,C[Ga](C)C,InChI=1S/3CH3.Ga/h3*1H3;,XCZXGTMEAKBVPV-UHFFFAOYSA-N,C3H9Ga,114.83,113.996,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
VINYLMAGNESIUM CHLORIDE,003536-96-7,77075,magnesium;ethene;chloride,C=[CH-].[Mg+2].[Cl-],"InChI=1S/C2H3.ClH.Mg/c1-2;;/h1H,2H2;1H;/q-1;;+2/p-1",IJMWREDHKRHWQI-UHFFFAOYSA-M,C2H3ClMg,86.8,85.9773695,,0,6,0,0,2,0,4,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
CHLOROMETHYL METHYL SULFIDE,002373-51-5,16916,chloro(methylsulfanyl)methane,CSCCl,"InChI=1S/C2H5ClS/c1-4-2-3/h2H2,1H3",JWMLCCRPDOIBAV-UHFFFAOYSA-N,C2H5ClS,96.58,95.980049,1.6,25.3,10,0,0,1,1,4,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-HEPTENE,000592-77-8,11611,hept-2-ene,CCCCC=CC,"InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3",OTTZHAVKAVGASB-UHFFFAOYSA-N,C7H14,98.19,98.10955045,3.2,0,44,0,0,0,3,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
SEC-BUTYLAMINE,013952-84-6,24874,butan-2-amine,CCC(C)N,"InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3",BHRZNVHARXXAHW-UHFFFAOYSA-N,C4H11N,73.14,73.08914936,0.6,26,19,0,1,1,1,5,"15 °F (NTP, 1992)","146.3 °F at 760 mmHg (NTP, 1992)",1,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"1,1-DIMETHOXYETHANE",000534-15-6,10795,"1,1-dimethoxyethane",CC(OC)OC,"InChI=1S/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3",SPEUIVXLLWOEMJ-UHFFFAOYSA-N,C4H10O2,90.12,90.06807956,0.5,18.5,24,0,0,2,2,6,BELOW 80 °F,64.5 °C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
VINYL PROPIONATE,000105-38-4,7750,ethenyl propanoate,CCC(=O)OC=C,"InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3",UIWXSTHGICQLQT-UHFFFAOYSA-N,C5H8O2,100.12,100.0524295,1.1,26.3,76,0,0,2,3,7,,,0,0,1,0,0,1,1,1,1,0,0,0,0,0,0,0,1,0,0,0
TERT-BUTYL BROMIDE,000507-19-7,10485,2-bromo-2-methylpropane,CC(C)(C)Br,"InChI=1S/C4H9Br/c1-4(2,3)5/h1-3H3",RKSOPLXZQNSWAS-UHFFFAOYSA-N,C4H9Br,137.02,135.98876,2,0,25,0,0,0,0,5,18.3 °C,73.3 °C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
2-CHLOROBUTANE,000078-86-4,6563,2-chlorobutane,CCC(C)Cl,"InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3",BSPCSKHALVHRSR-UHFFFAOYSA-N,C4H9Cl,92.57,92.039278,2.3,0,19,0,0,0,1,5,,,0,0,0,0,0,0,1,1,1,0,0,1,0,0,0,0,1,0,0,1
2-BROMOPENTANE,000107-81-3,7890,2-bromopentane,CCCC(C)Br,"InChI=1S/C5H11Br/c1-3-4-5(2)6/h5H,3-4H2,1-2H3",LGAJYTCRJPCZRJ-UHFFFAOYSA-N,C5H11Br,151.04,150.00441,2.7,0,27,0,0,0,2,6,"69 °F (USCG, 1999)","243 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-CHLOROETHYL VINYL ETHER,000110-75-8,8074,1-chloro-2-ethenoxyethane,C=COCCCl,"InChI=1S/C4H7ClO/c1-2-6-4-3-5/h2H,1,3-4H2",DNJRKFKAFWSXSE-UHFFFAOYSA-N,C4H7ClO,106.55,106.0185425,1.4,9.2,36,0,0,1,3,6,"61 °F (NTP, 1992)","228 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TRIISOPROPYL BORATE,005419-55-6,21531,tripropan-2-yl borate,B(OC(C)C)(OC(C)C)OC(C)C,"InChI=1S/C9H21BO3/c1-7(2)11-10(12-8(3)4)13-9(5)6/h7-9H,1-6H3",NHDIQVFFNDKAQU-UHFFFAOYSA-N,C9H21BO3,188.07,188.1583747,,27.7,102,0,0,3,6,13,"82 °F (NFPA, 2010)",,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
TRIFLUOROMETHYLTRIMETHYLSILANE,081290-20-2,552549,trimethyl(trifluoromethyl)silane,C[Si](C)(C)C(F)(F)F,"InChI=1S/C4H9F3Si/c1-8(2,3)4(5,6)7/h1-3H3",MWKJTNBSKNUMFN-UHFFFAOYSA-N,C4H9F3Si,142.19,142.0425613,,0,78,0,0,3,0,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"TRANS-2-METHYL-1,3-PENTADIENE",000926-54-5,638070,"(3E)-2-methylpenta-1,3-diene",C/C=C/C(=C)C,"InChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,2H2,1,3H3/b5-4+",RCJMVGJKROQDCB-SNAWJCMRSA-N,C6H10,82.14,82.07825032,2.7,0,68,0,0,0,1,6,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"3-METHYL-1,3-PENTADIENE",004549-74-0,638069,"(3E)-3-methylpenta-1,3-diene",C/C=C(\C)/C=C,"InChI=1S/C6H10/c1-4-6(3)5-2/h4-5H,1H2,2-3H3/b6-5+",BOGRNZQRTNVZCZ-AATRIKPKSA-N,C6H10,82.14,82.07825032,2.7,0,68,0,0,0,1,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TRIMETHYLIODOSILANE,016029-98-4,85247,iodo(trimethyl)silane,C[Si](C)(C)I,"InChI=1S/C3H9ISi/c1-5(2,3)4/h1-3H3",CSRZQMIRAZTJOY-UHFFFAOYSA-N,C3H9ISi,200.09,199.95182,,0,28,0,0,0,0,5,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
PROPOXYTRIMETHYLSILANE,001825-63-4,74577,trimethyl(propoxy)silane,CCCO[Si](C)(C)C,"InChI=1S/C6H16OSi/c1-5-6-7-8(2,3)4/h5-6H2,1-4H3",PHPGKIATZDCVHL-UHFFFAOYSA-N,C6H16OSi,132.28,132.0970417,,9.2,56,0,0,1,3,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
BROMOTRIMETHYLSILANE,002857-97-8,76113,bromo(trimethyl)silane,C[Si](C)(C)Br,"InChI=1S/C3H9BrSi/c1-5(2,3)4/h1-3H3",IYYIVELXUANFED-UHFFFAOYSA-N,C3H9BrSi,153.09,151.96569,,0,28,0,0,0,0,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"METHYL 2-CHLORO-2,2-DIFLUOROACETATE",001514-87-0,73935,"methyl 2-chloro-2,2-difluoroacetate",COC(=O)C(F)(F)Cl,"InChI=1S/C3H3ClF2O2/c1-8-2(7)3(4,5)6/h1H3",AWUPLMYXZJKHEG-UHFFFAOYSA-N,C3H3ClF2O2,144.5,143.9789634,0.8,26.3,103,0,0,4,2,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
CROTYL BROMIDE,029576-14-5,637532,(E)-1-bromobut-2-ene,C/C=C/CBr,"InChI=1S/C4H7Br/c1-2-3-4-5/h2-3H,4H2,1H3/b3-2+",AVMHMVJVHYGDOO-NSCUHMNNSA-N,C4H7Br,135,133.97311,1.9,0,30,0,0,0,1,5,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIMETHYLETHYLENEDIAMINE",000108-00-9,66053,"N',N'-dimethylethane-1,2-diamine",CN(C)CCN,"InChI=1S/C4H12N2/c1-6(2)4-3-5/h3-5H2,1-2H3",DILRJUIACXKSQE-UHFFFAOYSA-N,C4H12N2,88.15,88.10004839,-0.7,29.3,26,0,1,2,2,6,,,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
2-CHLOROACRYLONITRILE,000920-37-6,70198,2-chloroprop-2-enenitrile,C=C(C#N)Cl,InChI=1S/C3H2ClN/c1-3(4)2-5/h1H2,OYUNTGBISCIYPW-UHFFFAOYSA-N,C3H2ClN,87.51,86.9875768,1.4,23.8,86,0,0,1,0,5,"44 °F (NTP, 1992)","190 to 192 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,1,0,0,1,0,0,0,0,0,1,0,1,0,0,0
1-PENTANETHIOL,000110-66-7,8067,pentane-1-thiol,CCCCCS,"InChI=1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3",ZRKMQKLGEQPLNS-UHFFFAOYSA-N,C5H12S,104.22,104.0659716,2.3,1,19,0,1,1,3,6,"65 °F (USCG, 1999)","248 °F at 760 mmHg (USCG, 1999)",0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
METHYL-D3 ALCOHOL,001849-29-2,123132,trideuteriomethanol,[2H]C([2H])([2H])O,"InChI=1S/CH4O/c1-2/h2H,1H3/i1D3",OKKJLVBELUTLKV-FIBGUPNXSA-N,CH4O,35.06,35.04504499,-0.5,20.2,2,0,1,1,0,2,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
METHYL ALCOHOL-D,001455-13-6,123113,deuteriooxymethane,[2H]OC,"InChI=1S/CH4O/c1-2/h2H,1H3/i2D",OKKJLVBELUTLKV-VMNATFBRSA-N,CH4O,33.048,33.03249149,-0.5,20.2,2,0,1,1,0,2,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
"1,7-OCTADIENE",003710-30-3,19460,"octa-1,7-diene",C=CCCCCC=C,"InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-8H2",XWJBRBSPAODJER-UHFFFAOYSA-N,C8H14,110.2,110.1095504,3.5,0,52,0,0,0,5,8,9 °C,114-121 °C,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
PENTYLAMINE,000110-58-7,8060,pentan-1-amine,CCCCCN,"InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3",DPBLXKKOBLCELK-UHFFFAOYSA-N,C5H13N,87.16,87.10479942,1.5,26,19,0,1,1,3,6,"45 °F (NTP, 1992)","219.9 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
ISOPENTYLAMINE,000107-85-7,7894,3-methylbutan-1-amine,CC(C)CCN,"InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3",BMFVGAAISNGQNM-UHFFFAOYSA-N,C5H13N,87.16,87.10479942,1,26,25,0,1,1,2,6,,95.00 to 97.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TRIMETHOXYSILANE,002487-90-3,17215,trimethoxysilane,CO[SiH](OC)OC,"InChI=1S/C3H10O3Si/c1-4-7(5-2)6-3/h7H,1-3H3",YUYCVXFAYWRXLS-UHFFFAOYSA-N,C3H10O3Si,122.19,122.0399207,,27.7,31,0,0,3,3,7,,84 °C,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TERT-BUTYL ISOCYANIDE,007188-38-7,23577,2-isocyano-2-methylpropane,CC(C)(C)[N+]#[C-],"InChI=1S/C5H9N/c1-5(2,3)6-4/h1-3H3",FAGLEPBREOXSAC-UHFFFAOYSA-N,C5H9N,83.13,83.07349929,0.9,4.4,77,0,0,1,0,6,,,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"N,N,N'-TRIMETHYLETHYLENEDIAMINE",000142-25-6,67338,"N,N',N'-trimethylethane-1,2-diamine",CNCCN(C)C,"InChI=1S/C5H14N2/c1-6-4-5-7(2)3/h6H,4-5H2,1-3H3",HVOYZOQVDYHUPF-UHFFFAOYSA-N,C5H14N2,102.18,102.1156985,-0.2,15.3,35,0,1,2,3,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"1,3-DICHLORO-1,1,3,3-TETRAMETHYLDISILOXANE",002401-73-2,75461,chloro-[chloro(dimethyl)silyl]oxy-dimethylsilane,C[Si](C)(O[Si](C)(C)Cl)Cl,"InChI=1S/C4H12Cl2OSi2/c1-8(2,5)7-9(3,4)6/h1-4H3",DMEXFOUCEOWRGD-UHFFFAOYSA-N,C4H12Cl2OSi2,203.21,201.9803735,,9.2,92,0,0,1,2,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
2-METHYL-2-PROPANOL-D10,053001-22-2,2723971,"1,1,1,3,3,3-hexadeuterio-2-deuteriooxy-2-(trideuteriomethyl)propane",[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])O[2H],"InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3/i1D3,2D3,3D3,5D",DKGAVHZHDRPRBM-SGLLWXCUSA-N,C4H10O,84.18,84.1359324,0.5,20.2,25,0,1,1,0,5,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
PERFLUORO-2-METHYL-2-PENTENE,001584-03-8,74105,"1,1,1,3,4,4,5,5,5-nonafluoro-2-(trifluoromethyl)pent-2-ene",C(=C(C(C(F)(F)F)(F)F)F)(C(F)(F)F)C(F)(F)F,"InChI=1S/C6F12/c7-2(3(8,9)6(16,17)18)1(4(10,11)12)5(13,14)15",FAEGGADNHFKDQX-UHFFFAOYSA-N,C6F12,300.04,299.9808379,4.4,0,319,0,0,12,1,18,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
ETHYL HEPTAFLUOROBUTYRATE,000356-27-4,9644,"ethyl 2,2,3,3,4,4,4-heptafluorobutanoate",CCOC(=O)C(C(C(F)(F)F)(F)F)(F)F,"InChI=1S/C6H5F7O2/c1-2-15-3(14)4(7,8)5(9,10)6(11,12)13/h2H2,1H3",JVHJRIQPDBCRRE-UHFFFAOYSA-N,C6H5F7O2,242.09,242.0177765,2.8,26.3,244,0,0,9,4,15,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
DIMETHYLDIMETHOXYSILANE,001112-39-6,66187,dimethoxy(dimethyl)silane,CO[Si](C)(C)OC,"InChI=1S/C4H12O2Si/c1-5-7(3,4)6-2/h1-4H3",JJQZDUKDJDQPMQ-UHFFFAOYSA-N,C4H12O2Si,120.22,120.0606562,,18.5,47,0,0,2,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,1,0,0,0,0,0,0
"2,4-DIMETHYL-1,3-PENTADIENE",001000-86-8,66080,"2,4-dimethylpenta-1,3-diene",CC(=CC(=C)C)C,"InChI=1S/C7H12/c1-6(2)5-7(3)4/h5H,1H2,2-4H3",CMSUNVGIWAFNBG-UHFFFAOYSA-N,C7H12,96.17,96.09390038,3.3,0,92,0,0,0,1,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
3-AMINOPENTANE,000616-24-0,12019,pentan-3-amine,CCC(CC)N,"InChI=1S/C5H13N/c1-3-5(6)4-2/h5H,3-4,6H2,1-2H3",PQPFFKCJENSZKL-UHFFFAOYSA-N,C5H13N,87.16,87.10479942,1.1,26,23,0,1,1,2,6,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
N-BUTYLDIMETHYLCHLOROSILANE,001000-50-6,66079,butyl-chloro-dimethylsilane,CCCC[Si](C)(C)Cl,"InChI=1S/C6H15ClSi/c1-4-5-6-8(2,3)7/h4-6H2,1-3H3",MXOSTENCGSDMRE-UHFFFAOYSA-N,C6H15ClSi,150.72,150.0631547,,0,61,0,0,0,3,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
ETHYL-1-13C ALCOHOL,014742-23-5,12201684,(113C)ethanol,C[13CH2]O,"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i2+1",LFQSCWFLJHTTHZ-VQEHIDDOSA-N,C2H6O,47.061,47.04521965,-0.1,20.2,2,0,1,1,0,3,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"1,1,3,3-TETRAMETHYLDISILAZANE",015933-59-2,6327317,,C[Si](C)N[Si](C)C,"InChI=1S/C4H13NSi2/c1-6(2)5-7(3)4/h5H,1-4H3",GJWAPAVRQYYSTK-UHFFFAOYSA-N,C4H13NSi2,131.32,131.0586525,,12,39,0,1,1,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
POLY(L-LACTIDE),026161-42-2,11039,methyl 2-methylpropanoate,CC(C)C(=O)OC,"InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3",BHIWKHZACMWKOJ-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,1.2,26.3,66,0,0,2,2,7,,91.00 to 93.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
DIMETHYL (TRIMETHYLSILYLOXYCARBONYLMETHYL)PHOSPHONATE,085169-29-5,2773792,trimethylsilyl 2-dimethoxyphosphorylacetate,COP(=O)(CC(=O)O[Si](C)(C)C)OC,"InChI=1S/C7H17O5PSi/c1-10-13(9,11-2)6-7(8)12-14(3,4)5/h6H2,1-5H3",AOBJUHXMTGKIDR-UHFFFAOYSA-N,C7H17O5PSi,240.27,240.0582872,,61.8,239,0,0,5,6,14,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
TERT-BUTYL ACRYLATE,001663-39-4,15458,tert-butyl prop-2-enoate,CC(C)(C)OC(=O)C=C,"InChI=1S/C7H12O2/c1-5-6(8)9-7(2,3)4/h5H,1H2,2-4H3",ISXSCDLOGDJUNJ-UHFFFAOYSA-N,C7H12O2,128.17,128.0837296,1.7,26.3,119,0,0,2,3,9,66 °F OC,120 °C,0,1,1,1,0,0,1,0,1,0,0,0,0,0,0,0,1,1,0,1
ISOPROPENOXYTRIMETHYLSILANE,001833-53-0,74599,trimethyl(prop-1-en-2-yloxy)silane,CC(=C)O[Si](C)(C)C,"InChI=1S/C6H14OSi/c1-6(2)7-8(3,4)5/h1H2,2-5H3",UAIFZYSPVVBOPN-UHFFFAOYSA-N,C6H14OSi,130.26,130.0813916,,9.2,91,0,0,1,2,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
METHANOL (13C),014742-26-8,11205710,(113C)methanol,[13CH3]O,"InChI=1S/CH4O/c1-2/h2H,1H3/i1+1",OKKJLVBELUTLKV-OUBTZVSYSA-N,CH4O,33.035,33.02956958,-0.5,20.2,2,0,1,1,0,2,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TERT-BUTYL ISOCYANATE,001609-86-5,62412,2-isocyanato-2-methylpropane,CC(C)(C)N=C=O,"InChI=1S/C5H9NO/c1-5(2,3)6-4-7/h1-3H3",MGOLNIXAPIAKFM-UHFFFAOYSA-N,C5H9NO,99.13,99.06841391,2,29.4,95,0,0,2,1,7,,,0,0,1,1,0,0,1,1,1,0,0,0,0,0,1,0,1,1,0,1
N-AMYL NITRITE,000463-04-7,10026,pentyl nitrite,CCCCCON=O,"InChI=1S/C5H11NO2/c1-2-3-4-5-8-6-7/h2-5H2,1H3",CSDTZUBPSYWZDX-UHFFFAOYSA-N,C5H11NO2,117.15,117.0789786,1.8,38.7,56,0,0,3,4,8,,104.5 °C,0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
TERT-AMYLAMINE,000594-39-8,68986,2-methylbutan-2-amine,CCC(C)(C)N,"InChI=1S/C5H13N/c1-4-5(2,3)6/h4,6H2,1-3H3",GELMWIVBBPAMIO-UHFFFAOYSA-N,C5H13N,87.16,87.10479942,0.8,26,39,0,1,1,1,6,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
N-ETHYLETHYLENEDIAMINE,000110-72-5,66071,"N'-ethylethane-1,2-diamine",CCNCCN,"InChI=1S/C4H12N2/c1-2-6-4-3-5/h6H,2-5H2,1H3",SCZVXVGZMZRGRU-UHFFFAOYSA-N,C4H12N2,88.15,88.10004839,-0.8,38.1,21,0,2,2,3,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,1,0,0,0
CHLORO(DIMETHYL)PHOSPHINE,000811-62-1,69936,chloro(dimethyl)phosphane,CP(C)Cl,InChI=1S/C2H6ClP/c1-4(2)3/h1-2H3,ZLVVDNKTHWEIOG-UHFFFAOYSA-N,C2H6ClP,96.49,95.9895649,0.7,0,13,0,0,0,0,4,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
ISO-PROPYL ALCOHOL-D8,022739-76-0,2723972,"1,1,1,2,3,3,3-heptadeuterio-2-deuteriooxypropane",[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])O[2H],"InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1D3,2D3,3D,4D",KFZMGEQAYNKOFK-PIODKIDGSA-N,C3H8O,68.14,68.10772884,0.3,20.2,10,0,1,1,0,4,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
"N,N-DIMETHYLBUTYLAMINE",000927-62-8,13563,"N,N-dimethylbutan-1-amine",CCCCN(C)C,"InChI=1S/C6H15N/c1-4-5-6-7(2)3/h4-6H2,1-3H3",DJEQZVQFEPKLOY-UHFFFAOYSA-N,C6H15N,101.19,101.1204495,1.7,3.2,33,0,0,1,3,7,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIMETHYLISOPROPYLAMINE (ATOFINA DMIPA)",000996-35-0,70452,"N,N-dimethylpropan-2-amine",CC(C)N(C)C,"InChI=1S/C5H13N/c1-5(2)6(3)4/h5H,1-4H3",VMOWKUTXPNPTEN-UHFFFAOYSA-N,C5H13N,87.16,87.10479942,1.1,3.2,30,0,0,1,1,6,,,0,0,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIETHYLMETHYLAMINE",000616-39-7,12022,N-ethyl-N-methylethanamine,CCN(C)CC,"InChI=1S/C5H13N/c1-4-6(3)5-2/h4-5H2,1-3H3",GNVRJGIVDSQCOP-UHFFFAOYSA-N,C5H13N,87.16,87.10479942,1,3.2,23,0,0,1,2,6,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
ISOBUTYL NITRITE,000542-56-3,10958,2-methylpropyl nitrite,CC(C)CON=O,"InChI=1S/C4H9NO2/c1-4(2)3-7-5-6/h4H,3H2,1-2H3",APNSGVMLAYLYCT-UHFFFAOYSA-N,C4H9NO2,103.12,103.0633285,1.4,38.7,53,0,0,3,2,7,"-10 °F (NTP, 1992)","153 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0
PENTAMETHYLDISILOXANE,001438-82-0,74037,dimethylsilyloxy(trimethyl)silane,C[SiH](C)O[Si](C)(C)C,"InChI=1S/C5H16OSi2/c1-7(2)6-8(3,4)5/h7H,1-5H3",AOJHDNSYXUZCCE-UHFFFAOYSA-N,C5H16OSi2,148.35,148.0739682,,9.2,65,0,0,1,2,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"3-METHYL-1,4-PENTADIENE",001115-08-8,66195,"3-methylpenta-1,4-diene",CC(C=C)C=C,"InChI=1S/C6H10/c1-4-6(3)5-2/h4-6H,1-2H2,3H3",IKQUUYYDRTYXAP-UHFFFAOYSA-N,C6H10,82.14,82.07825032,2.5,0,45,0,0,0,2,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
ALLYL MERCAPTAN,000870-23-5,13367,prop-2-ene-1-thiol,C=CCS,"InChI=1S/C3H6S/c1-2-3-4/h2,4H,1,3H2",ULIKDJVNUXNQHS-UHFFFAOYSA-N,C3H6S,74.15,74.01902136,1.2,1,17,0,1,1,1,4,,65.00 to 67.00 °C. @ 760.00 mm Hg,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"2-AMINO-2-METHYL-D3-PROPANE-1,1,1,3,3,3-D6",006045-08-5,10534656,"1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-amine",[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])N,"InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3/i1D3,2D3,3D3",YBRBMKDOPFTVDT-GQALSZNTSA-N,C4H11N,82.19,82.14564007,0.3,26,25,0,1,1,0,5,,,0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"CARBON DISULFIDE (13C, 97-99%)",030860-31-2,10996954,(113C)methanedithione,[13C](=S)=S,InChI=1S/CS2/c2-1-3/i1+1,QGJOPFRUJISHPQ-OUBTZVSYSA-N,CS2,77.14,76.94749718,2.1,64.2,18,0,0,2,0,3,,,0,0,0,0,0,0,0,1,1,0,0,0,0,1,0,0,1,0,1,0
(S)-(+)-2-AMINO-3-METHYLBUTANE,022526-46-1,6999788,(2S)-3-methylbutan-2-amine,C[C@@H](C(C)C)N,"InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3/t5-/m0/s1",JOZZAIIGWFLONA-YFKPBYRVSA-N,C5H13N,87.16,87.10479942,1,26,32,0,1,1,1,6,,,0,1,1,1,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
METHYL METHACRYLATE-D8,035233-69-3,118794,"trideuteriomethyl 3,3-dideuterio-2-(trideuteriomethyl)prop-2-enoate",[2H]C(=C(C(=O)OC([2H])([2H])[2H])C([2H])([2H])[2H])[2H],"InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3/i1D2,2D3,3D3",VVQNEPGJFQJSBK-MGGKGRBPSA-N,C5H8O2,108.16,108.1026435,1.4,26.3,94,0,0,2,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,1
2-PROPANETHIOL,000075-33-2,6364,propane-2-thiol,CC(C)S,"InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3",KJRCEJOSASVSRA-UHFFFAOYSA-N,C3H8S,76.16,76.03467143,1.3,1,10,0,1,1,0,4,"-30 °F (USCG, 1999)","126.6 °F at 760 mmHg (USCG, 1999)",0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
ETHYL ISOBUTYRATE,000097-62-1,7342,ethyl 2-methylpropanoate,CCOC(=O)C(C)C,"InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3",WDAXFOBOLVPGLV-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,1.5,26.3,76,0,0,2,3,8,"less than 70 °F (NFPA, 2010)",112.00 to 113.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
PROPARGYL BROMIDE,000106-96-7,7842,3-bromoprop-1-yne,C#CCBr,"InChI=1S/C3H3Br/c1-2-3-4/h1H,3H2",YORCIIVHUBAYBQ-UHFFFAOYSA-N,C3H3Br,118.96,117.94181,1.1,0,38,0,0,0,0,4,"50 °F (EPA, 1998)","190 to 194 °F at 760 mmHg (EPA, 1998)",0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ISOVALERYL CHLORIDE,000108-12-3,66054,3-methylbutanoyl chloride,CC(C)CC(=O)Cl,"InChI=1S/C5H9ClO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3",ISULZYQDGYXDFW-UHFFFAOYSA-N,C5H9ClO,120.58,120.0341926,2,17.1,68,0,0,1,2,7,,,0,0,1,0,0,0,0,1,1,0,0,1,0,0,0,0,1,0,0,1
2-METHYL-3-BUTEN-2-OL,000115-18-4,8257,2-methylbut-3-en-2-ol,CC(C)(C=C)O,"InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3",HNVRRHSXBLFLIG-UHFFFAOYSA-N,C5H10O,86.13,86.07316494,0.8,20.2,55,0,1,1,1,6,"56 °F (USCG, 1999)","208.4 to 210.2 °F at 760 mmHg (USCG, 1999)",0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"2,2,2-TRIFLUOROETHYL ACRYLATE",000407-47-6,67889,"2,2,2-trifluoroethyl prop-2-enoate",C=CC(=O)OCC(F)(F)F,"InChI=1S/C5H5F3O2/c1-2-4(9)10-3-5(6,7)8/h2H,1,3H2",VBHXIMACZBQHPX-UHFFFAOYSA-N,C5H5F3O2,154.09,154.0241639,2.1,26.3,138,0,0,5,3,10,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
(2S)-1-BROMO-2-METHYLBUTANE,000534-00-9,5464167,(2S)-1-bromo-2-methylbutane,CC[C@H](C)CBr,"InChI=1S/C5H11Br/c1-3-5(2)4-6/h5H,3-4H2,1-2H3/t5-/m0/s1",XKVLZBNEPALHIO-YFKPBYRVSA-N,C5H11Br,151.04,150.00441,2.7,0,27,0,0,0,2,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ISOVALERALDEHYDE,000590-86-3,11552,3-methylbutanal,CC(C)CC=O,"InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3",YGHRJJRRZDOVPD-UHFFFAOYSA-N,C5H10O,86.13,86.07316494,1,17.1,39,0,0,1,2,6,"55 °F (est.) (USCG, 1999)","198.5 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,1,0,1
2-METHYLHEXANE,000591-76-4,11582,2-methylhexane,CCCCC(C)C,"InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3",GXDHCNNESPLIKD-UHFFFAOYSA-N,C7H16,100.2,100.1252005,3.7,0,29,0,0,0,3,7,-18 °C c.c.,90 °C,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
1-BROMO-2-ETHOXYETHANE,000592-55-2,61141,1-bromo-2-ethoxyethane,CCOCCBr,"InChI=1S/C4H9BrO/c1-2-6-4-3-5/h2-4H2,1H3",MMYKTRPLXXWLBC-UHFFFAOYSA-N,C4H9BrO,153.02,151.98368,1.2,9.2,23,0,0,1,3,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
3-BUTEN-2-OL,000598-32-3,11716,but-3-en-2-ol,CC(C=C)O,"InChI=1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3",MKUWVMRNQOOSAT-UHFFFAOYSA-N,C4H8O,72.11,72.05751487,0.6,20.2,32,0,1,1,1,5,,,0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
1-CHLORO-2-METHYLBUTANE,000616-13-7,12015,1-chloro-2-methylbutane,CCC(C)CCl,"InChI=1S/C5H11Cl/c1-3-5(2)4-6/h5H,3-4H2,1-2H3",IWAKWOFEHSYKSI-UHFFFAOYSA-N,C5H11Cl,106.59,106.054928,2.5,0,27,0,0,0,2,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
METHYL ETHYL SULFIDE,000624-89-5,12230,methylsulfanylethane,CCSC,"InChI=1S/C3H8S/c1-3-4-2/h3H2,1-2H3",WXEHBUMAEPOYKP-UHFFFAOYSA-N,C3H8S,76.16,76.03467143,1.5,25.3,7,0,0,1,1,4,,65.00 to 67.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"1-CHLORO-2,2-DIMETHYLPROPANE",000753-89-9,12956,"1-chloro-2,2-dimethylpropane",CC(C)(C)CCl,"InChI=1S/C5H11Cl/c1-5(2,3)4-6/h4H2,1-3H3",JEKYMVBQWWZVHO-UHFFFAOYSA-N,C5H11Cl,106.59,106.054928,2.5,0,33,0,0,0,1,6,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0
"2,2,2-TRIFLUOROETHANAMINE",000753-90-2,9773,"2,2,2-trifluoroethanamine",C(C(F)(F)F)N,"InChI=1S/C2H4F3N/c3-2(4,5)1-6/h1,6H2",KIPSRYDSZQRPEA-UHFFFAOYSA-N,C2H4F3N,99.06,99.02958362,0.2,26,38,0,1,4,0,6,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
3-BUTYN-2-OL,002028-63-9,16239,but-3-yn-2-ol,CC(C#C)O,"InChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3",GKPOMITUDGXOSB-UHFFFAOYSA-N,C4H6O,70.09,70.04186481,0.1,20.2,57,0,1,1,0,5,,,0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
"2-PROPEN-1-AMINE, N,N-DIMETHYL-",002155-94-4,75082,"N,N-dimethylprop-2-en-1-amine",CN(C)CC=C,"InChI=1S/C5H11N/c1-4-5-6(2)3/h4H,1,5H2,2-3H3",GBCKRQRXNXQQPW-UHFFFAOYSA-N,C5H11N,85.15,85.08914936,0.9,3.2,39,0,0,1,2,6,,,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
CHLOROMETHYLTRIMETHYLSILANE,002344-80-1,75361,chloromethyl(trimethyl)silane,C[Si](C)(C)CCl,"InChI=1S/C4H11ClSi/c1-6(2,3)4-5/h4H2,1-3H3",OOCUOKHIVGWCTJ-UHFFFAOYSA-N,C4H11ClSi,122.67,122.0318546,,0,37,0,0,0,1,6,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
TRIETHOXY-2-PROPENYLSILANE,002550-04-1,75692,triethoxy(prop-2-enyl)silane,CCO[Si](CC=C)(OCC)OCC,"InChI=1S/C9H20O3Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5H,1,6-9H2,2-4H3",UMFJXASDGBJDEB-UHFFFAOYSA-N,C9H20O3Si,204.34,204.118171,,27.7,122,0,0,3,8,13,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL)ETHYL METHACRYLATE",003063-94-3,76469,"1,1,1,3,3,3-hexafluoropropan-2-yl 2-methylprop-2-enoate",CC(=C)C(=O)OC(C(F)(F)F)C(F)(F)F,"InChI=1S/C7H6F6O2/c1-3(2)4(14)15-5(6(8,9)10)7(11,12)13/h5H,1H2,2H3",FMQPBWHSNCRVQJ-UHFFFAOYSA-N,C7H6F6O2,236.11,236.0271984,3.7,26.3,250,0,0,8,3,15,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,1,3,3-TETRAMETHYLDISILOXANE",003277-26-7,6327482,,C[Si](C)O[Si](C)C,InChI=1S/C4H12OSi2/c1-6(2)5-7(3)4/h1-4H3,KWEKXPWNFQBJAY-UHFFFAOYSA-N,C4H12OSi2,132.31,132.0426681,,9.2,39,0,0,1,2,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0
"2,2-DIMETHYLPROPANOYL CHLORIDE",003282-30-2,62493,"2,2-dimethylpropanoyl chloride",CC(C)(C)C(=O)Cl,"InChI=1S/C5H9ClO/c1-5(2,3)4(6)7/h1-3H3",JVSFQJZRHXAUGT-UHFFFAOYSA-N,C5H9ClO,120.58,120.0341926,2.2,17.1,80,0,0,1,1,7,48 °F,105-106 °F,0,0,1,1,0,0,0,1,1,0,0,1,0,0,0,0,1,0,0,0
CROTONONITRILE,004786-20-3,637921,(E)-but-2-enenitrile,C/C=C/C#N,"InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2+",NKKMVIVFRUYPLQ-NSCUHMNNSA-N,C4H5N,67.09,67.04219916,0.8,23.8,72,0,0,1,0,5,16 °C,,0,0,1,1,0,0,0,1,1,0,0,0,0,1,0,0,1,0,1,1
TRIMETHYLSILANOL PHOSPHATE (3:1),010497-05-9,25317,tris(trimethylsilyl) phosphate,C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C,"InChI=1S/C9H27O4PSi3/c1-15(2,3)11-14(10,12-16(4,5)6)13-17(7,8)9/h1-9H3",QJMMCGKXBZVAEI-UHFFFAOYSA-N,C9H27O4PSi3,314.54,314.0954759,,44.8,253,0,0,4,6,17,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
N-ETHYLBUTYLAMINE,013360-63-9,25914,N-ethylbutan-1-amine,CCCCNCC,"InChI=1S/C6H15N/c1-3-5-6-7-4-2/h7H,3-6H2,1-2H3",QHCCDDQKNUYGNC-UHFFFAOYSA-N,C6H15N,101.19,101.1204495,1.6,12,27,0,1,1,4,7,"65 °F (NTP, 1992)","226 to 228 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
DIMETHOXYMETHYLSILANE,016881-77-9,85623,dimethoxy(methyl)silane,CO[SiH](C)OC,"InChI=1S/C3H10O2Si/c1-4-6(3)5-2/h6H,1-3H3",WOUUFVMQNDKHSY-UHFFFAOYSA-N,C3H10O2Si,106.2,106.0450061,,18.5,28,0,0,2,2,6,,,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
2-METHYLBUTANOYL CHLORIDE,057526-28-0,93697,2-methylbutanoyl chloride,CCC(C)C(=O)Cl,"InChI=1S/C5H9ClO/c1-3-4(2)5(6)7/h4H,3H2,1-2H3",XRPVXVRWIDOORM-UHFFFAOYSA-N,C5H9ClO,120.58,120.0341926,2.2,17.1,70,0,0,1,2,7,,,0,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,1,1,0,0
METHYL METHACRYLATE-D5,055935-46-1,16212930,"methyl 3,3-dideuterio-2-(trideuteriomethyl)prop-2-enoate",[2H]C(=C(C(=O)OC)C([2H])([2H])[2H])[2H],"InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3/i1D2,2D3",VVQNEPGJFQJSBK-KPAILUHGSA-N,C5H8O2,105.15,105.0838132,1.4,26.3,94,0,0,2,2,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,1,0,1
Tris(Dimethylamino)Borane,004375-83-1,78081,N-[bis(dimethylamino)boranyl]-N-methylmethanamine,B(N(C)C)(N(C)C)N(C)C,InChI=1S/C6H18BN3/c1-8(2)7(9(3)4)10(5)6/h1-6H3,SOLWORTYZPSMAK-UHFFFAOYSA-N,C6H18BN3,143.04,143.1593778,,9.7,74,0,0,3,3,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL-1,1,2,2,,-D5",001859-08-1,12201693,"1,1,2,2,2-pentadeuterioethanol",[2H]C([2H])([2H])C([2H])([2H])O,"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3,2D2",LFQSCWFLJHTTHZ-ZBJDZAJPSA-N,C2H6O,51.1,51.07324854,-0.1,20.2,2,0,1,1,0,3,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
METHYL PROPIOLATE,000922-67-8,13536,methyl prop-2-ynoate,COC(=O)C#C,"InChI=1S/C4H4O2/c1-3-4(5)6-2/h1H,2H3",IMAKHNTVDGLIRY-UHFFFAOYSA-N,C4H4O2,84.07,84.02112937,0.6,26.3,95,0,0,2,1,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ETHYL METHYL CARBONATE,000623-53-0,522046,ethyl methyl carbonate,CCOC(=O)OC,"InChI=1S/C4H8O3/c1-3-7-4(5)6-2/h3H2,1-2H3",JBTWLSYIZRCDFO-UHFFFAOYSA-N,C4H8O3,104.1,104.0473441,0.9,35.5,60,0,0,3,3,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
TERT-BUTYL NITRITE,000540-80-7,10906,tert-butyl nitrite,CC(C)(C)ON=O,"InChI=1S/C4H9NO2/c1-4(2,3)7-5-6/h1-3H3",IOGXOCVLYRDXLW-UHFFFAOYSA-N,C4H9NO2,103.12,103.0633285,1,38.7,64,0,0,3,1,7,,,0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
ACETONITRILE-15N,014149-39-4,16213367,acetonitrile,CC#[15N],InChI=1S/C2H3N/c1-2-3/h1H3/i3+1,WEVYAHXRMPXWCK-LBPDFUHNSA-N,C2H3N,42.05,42.02358399,0,23.8,29,0,0,1,0,3,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"3,3-DIMETHYLBUTYLAMINE",015673-00-4,19709,"3,3-dimethylbutan-1-amine",CC(C)(C)CCN,"InChI=1S/C6H15N/c1-6(2,3)4-5-7/h4-5,7H2,1-3H3",GPWHFPWZAPOYNO-UHFFFAOYSA-N,C6H15N,101.19,101.1204495,1.4,26,42,0,1,1,2,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
DIMETHYL-D6 CARBONATE,108481-44-3,51341918,bis(trideuteriomethyl) carbonate,[2H]C([2H])([2H])OC(=O)OC([2H])([2H])[2H],"InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3/i1D3,2D3",IEJIGPNLZYLLBP-WFGJKAKNSA-N,C3H6O3,96.11,96.06935453,0.5,35.5,44,0,0,3,2,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
(2H3)ACETYL CHLORIDE,019259-90-6,2723967,"2,2,2-trideuterioacetyl chloride",[2H]C([2H])([2H])C(=O)Cl,InChI=1S/C2H3ClO/c1-2(3)4/h1H3/i1D3,WETWJCDKMRHUPV-FIBGUPNXSA-N,C2H3ClO,81.51,81.0060726,0.8,17.1,33,0,0,1,0,4,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
TRIMETHYLSILYL ACRYLATE,013688-55-6,554662,trimethylsilyl prop-2-enoate,C[Si](C)(C)OC(=O)C=C,"InChI=1S/C6H12O2Si/c1-5-6(7)8-9(2,3)4/h5H,1H2,2-4H3",OTYBJBJYBGWBHB-UHFFFAOYSA-N,C6H12O2Si,144.24,144.0606562,,26.3,124,0,0,2,3,9,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-CHLORO-3,3-DIMETHYLBUTANE",002855-08-5,76111,"1-chloro-3,3-dimethylbutane",CC(C)(C)CCCl,"InChI=1S/C6H13Cl/c1-6(2,3)4-5-7/h4-5H2,1-3H3",XGCKOSFYXBAPQM-UHFFFAOYSA-N,C6H13Cl,120.62,120.0705781,2.9,0,42,0,0,0,2,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
11-MERCAPTOUNDECYLTRIMETHOXYSILANE,877593-17-4,46940464,11-trimethoxysilylundecane-1-thiol,CO[Si](CCCCCCCCCCCS)(OC)OC,"InChI=1S/C14H32O3SSi/c1-15-19(16-2,17-3)14-12-10-8-6-4-5-7-9-11-13-18/h18H,4-14H2,1-3H3",VHJRQDUWYYJDBE-UHFFFAOYSA-N,C14H32O3SSi,308.55,308.1841426,,28.7,181,0,1,4,14,19,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
ETHANOL-2-13C,014770-41-3,12201695,(213C)ethanol,[13CH3]CO,"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1+1",LFQSCWFLJHTTHZ-OUBTZVSYSA-N,C2H6O,47.061,47.04521965,-0.1,20.2,2,0,1,1,0,3,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"ACRYLONITRILE  (1-13C3, 99%) INHIBITED WITH (+ 0.1% 4-METHOXYPHENOL)",091628-87-4,12196256,(113C)prop-2-enenitrile,C=C[13C]#N,"InChI=1S/C3H3N/c1-2-3-4/h2H,1H2/i3+1",NLHHRLWOUZZQLW-LBPDFUHNSA-N,C3H3N,54.06,54.02990394,0.2,23.8,54,0,0,1,0,4,,,0,1,1,1,0,1,1,1,1,0,0,0,0,0,0,0,1,1,0,1
TRIMETHYLSILANOL,001066-40-6,66110,hydroxy(trimethyl)silane,C[Si](C)(C)O,"InChI=1S/C3H10OSi/c1-5(2,3)4/h4H,1-3H3",AAPLIUHOKVUFCC-UHFFFAOYSA-N,C3H10OSi,90.2,90.05009147,,20.2,28,0,1,1,0,5,,,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
ACRYLONITRILE-15N,091628-89-6,71309193,prop-2-en(15N)nitrile,C=CC#[15N],"InChI=1S/C3H3N/c1-2-3-4/h2H,1H2/i4+1",NLHHRLWOUZZQLW-AZXPZELESA-N,C3H3N,54.06,54.02358399,0.2,23.8,54,0,0,1,0,4,,,0,1,1,1,0,1,1,1,1,0,0,0,0,1,0,0,1,1,0,1
(Z)-OCT-4-ENE,007642-15-1,5364446,(Z)-oct-4-ene,CCC/C=C\CCC,"InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7-",IRUCBBFNLDIMIK-FPLPWBNLSA-N,C8H16,112.21,112.1252005,3.6,0,45,0,0,0,4,8,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"3,3,3-TRIFLUOROPROPIONYL CHLORIDE",041463-83-6,2783343,"3,3,3-trifluoropropanoyl chloride",C(C(=O)Cl)C(F)(F)F,"InChI=1S/C3H2ClF3O/c4-2(8)1-3(5,6)7/h1H2",VOSQLWCTKGQTAY-UHFFFAOYSA-N,C3H2ClF3O,146.49,145.9746269,1.8,17.1,97,0,0,4,1,8,,,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"1-TRIMETHYLSILYL-1,4-PENTADIYNE",071789-10-1,144510,"trimethyl(penta-1,4-diynyl)silane",C[Si](C)(C)C#CCC#C,"InChI=1S/C8H12Si/c1-5-6-7-8-9(2,3)4/h1H,6H2,2-4H3",JKYMNPFNLMDSFG-UHFFFAOYSA-N,C8H12Si,136.27,136.0708269,,0,185,0,0,0,1,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"4-BROMO-1,1,2-TRIFLUOROBUT-1-ENE",010493-44-4,66333,"4-bromo-1,1,2-trifluorobut-1-ene",C(CBr)C(=C(F)F)F,InChI=1S/C4H4BrF3/c5-2-1-3(6)4(7)8/h1-2H2,GQCQMFYIFUDARF-UHFFFAOYSA-N,C4H4BrF3,188.97,187.94485,2,0,95,0,0,3,2,8,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
VINYL ACRYLATE,002177-18-6,75118,ethenyl prop-2-enoate,C=CC(=O)OC=C,"InChI=1S/C5H6O2/c1-3-5(6)7-4-2/h3-4H,1-2H2",BLCTWBJQROOONQ-UHFFFAOYSA-N,C5H6O2,98.1,98.03677943,1.2,26.3,94,0,0,2,3,7,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
N-METHYL-1-PROPYLAMINE,000627-35-0,12315,N-methylpropan-1-amine,CCCNC,"InChI=1S/C4H11N/c1-3-4-5-2/h5H,3-4H2,1-2H3",GVWISOJSERXQBM-UHFFFAOYSA-N,C4H11N,73.14,73.08914936,0.8,12,13,0,1,1,2,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
ISOPROPANOL (DIMETHYL-D6),003976-29-2,12213346,"1,1,1,3,3,3-hexadeuteriopropan-2-ol",[2H]C([2H])([2H])C(C([2H])([2H])[2H])O,"InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1D3,2D3",KFZMGEQAYNKOFK-WFGJKAKNSA-N,C3H8O,66.13,66.09517535,0.3,20.2,10,0,1,1,0,4,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
ISOPROPANOL (2-D),003972-26-7,12213344,2-deuteriopropan-2-ol,[2H]C(C)(C)O,"InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i3D",KFZMGEQAYNKOFK-WFVSFCRTSA-N,C3H8O,61.1,61.06379162,0.3,20.2,10,0,1,1,0,4,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
"2,2-DIFLUOROETHANOL",000359-13-7,136187,"2,2-difluoroethanol",C(C(F)F)O,"InChI=1S/C2H4F2O/c3-2(4)1-5/h2,5H,1H2",VOGSDFLJZPNWHY-UHFFFAOYSA-N,C2H4F2O,82.05,82.02302107,0.4,20.2,21,0,1,3,1,5,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-BROMOPROPANE (D7),039091-63-9,15618316,"2-bromo-1,1,1,2,3,3,3-heptadeuteriopropane",[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])Br,"InChI=1S/C3H7Br/c1-3(2)4/h3H,1-2H3/i1D3,2D3,3D",NAMYKGVDVNBCFQ-YYWVXINBSA-N,C3H7Br,130.03,129.01705,1.8,0,10,0,0,0,0,4,,,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,1,0
"ETHANOL-2,2,2-D3",001759-87-1,519451,"2,2,2-trideuterioethanol",[2H]C([2H])([2H])CO,"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3",LFQSCWFLJHTTHZ-FIBGUPNXSA-N,C2H6O,49.09,49.06069505,-0.1,20.2,2,0,1,1,0,3,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"1,1,2,2-TETRAFLUOROETHYL 2,2,2-TRIFLUOROETHYL ETHER",000406-78-0,164596,"1,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane",C(C(F)(F)F)OC(C(F)F)(F)F,"InChI=1S/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2",CWIFAKBLLXGZIC-UHFFFAOYSA-N,C4H3F7O,200.05,200.0072119,2.8,9.2,139,0,0,8,3,12,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-PROPAN(OL-D),003979-51-9,520960,2-deuteriooxypropane,[2H]OC(C)C,"InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i4D",KFZMGEQAYNKOFK-QYKNYGDISA-N,C3H8O,61.1,61.06379162,0.3,20.2,10,0,1,1,0,4,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
1-METHOXY-2-(VINYLOXY)ETHANE,001663-35-0,15457,1-ethenoxy-2-methoxyethane,COCCOC=C,"InChI=1S/C5H10O2/c1-3-7-5-4-6-2/h3H,1,4-5H2,2H3",GXZPMXGRNUXGHN-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,0.7,18.5,43,0,0,2,4,7,64 °F OC.,108.8 °C @ 760 MM HG,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BIS(2,2,2-TRIFLUOROETHYL) ETHER",000333-36-8,9528,"1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane",C(C(F)(F)F)OCC(F)(F)F,"InChI=1S/C4H4F6O/c5-3(6,7)1-11-2-4(8,9)10/h1-2H2",KGPPDNUWZNWPSI-UHFFFAOYSA-N,C4H4F6O,182.06,182.0166337,2.3,9.2,98,0,0,7,2,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ETHYL ACETATE-D<SB>8</>,117121-81-0,16213791,"1,1,2,2,2-pentadeuterioethyl 2,2,2-trideuterioacetate",[2H]C([2H])([2H])C(=O)OC([2H])([2H])C([2H])([2H])[2H],"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3/i1D3,2D3,3D2",XEKOWRVHYACXOJ-AUOAYUKBSA-N,C4H8O2,96.15,96.10264346,0.7,26.3,49,0,0,2,2,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
CHLORODIISOPROPYLPHOSPHINE,040244-90-4,538967,chloro-di(propan-2-yl)phosphane,CC(C)P(C(C)C)Cl,"InChI=1S/C6H14ClP/c1-5(2)8(7)6(3)4/h5-6H,1-4H3",JZPDBTOWHLZQFC-UHFFFAOYSA-N,C6H14ClP,152.6,152.0521651,2.3,0,53,0,0,0,2,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
1-PROPANOL-D8,061393-63-3,16213475,"1,1,1,2,2,3,3-heptadeuterio-3-deuteriooxypropane",[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])O[2H],"InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3/i1D3,2D2,3D2,4D",BDERNNFJNOPAEC-RIZALVEQSA-N,C3H8O,68.14,68.10772884,0.3,20.2,7,0,1,1,1,4,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
DIMETHYL CARBONATE-13C3,1173019-06-1,12230705,di(113C)methyl carbonate,[13CH3]O[13C](=O)O[13CH3],"InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3/i1+1,2+1,3+1",IEJIGPNLZYLLBP-VMIGTVKRSA-N,C3H6O3,93.056,93.04175856,0.5,35.5,44,0,0,3,2,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
CIS-3-HEXENE,007642-09-3,643783,(Z)-hex-3-ene,CC/C=C\CC,"InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5-",ZQDPJFUHLCOCRG-WAYWQWQTSA-N,C6H12,84.16,84.09390038,2.5,0,29,0,0,0,2,6,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
2-METHYLHEX-1-ENE,006094-02-6,22468,2-methylhex-1-ene,CCCCC(=C)C,"InChI=1S/C7H14/c1-4-5-6-7(2)3/h2,4-6H2,1,3H3",IRUDSQHLKGNCGF-UHFFFAOYSA-N,C7H14,98.19,98.10955045,3.6,0,53,0,0,0,3,7,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
(E)-OCT-3-ENE,014919-01-8,638228,(E)-oct-3-ene,CCCC/C=C/CC,"InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5+",YCTDZYMMFQCTEO-FNORWQNLSA-N,C8H16,112.21,112.1252005,3.6,0,53,0,0,0,4,8,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
4-METHYLHEX-1-ENE,003769-23-1,19589,4-methylhex-1-ene,CCC(C)CC=C,"InChI=1S/C7H14/c1-4-6-7(3)5-2/h4,7H,1,5-6H2,2-3H3",SUWJESCICIOQHO-UHFFFAOYSA-N,C7H14,98.19,98.10955045,3.2,0,46,0,0,0,3,7,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,1,4,4-TETRAMETHYL-1,4-DISILABUTANE",020152-11-8,11008061,,C[Si](C)CC[Si](C)C,"InChI=1S/C6H16Si2/c1-7(2)5-6-8(3)4/h5-6H2,1-4H3",JZRXLYBQPYTAJZ-UHFFFAOYSA-N,C6H16Si2,144.36,144.0790536,,0,42,0,0,0,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TERT-BUTYLIMIDOTRIS(DIETHYLAMINO)NIOBIUM,210363-27-2,87431252,tert-butyliminoniobium;tris(diethylazanide),CC[N-]CC.CC[N-]CC.CC[N-]CC.CC(C)(C)N=[Nb],"InChI=1S/C4H9N.3C4H10N.Nb/c1-4(2,3)5;3*1-3-5-4-2;/h1-3H3;3*3-4H2,1-2H3;/q;3*-1;",XEMGCFWEYRQHLX-UHFFFAOYSA-N,C16H39N4Nb-3,380.41,380.22385,,15.4,139,-3,0,4,7,21,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
(2S)-1-METHOXY-2-PROPANAMINE,099636-32-5,7021536,(2S)-1-methoxypropan-2-amine,C[C@@H](COC)N,"InChI=1S/C4H11NO/c1-4(5)3-6-2/h4H,3,5H2,1-2H3/t4-/m0/s1",NXMXETCTWNXSFG-BYPYZUCNSA-N,C4H11NO,89.14,89.08406397,-0.4,35.3,30,0,1,2,2,6,,,0,1,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
ETHANOL-13C2,070753-79-6,12201694,"(1,2-13C2)ethanol",[13CH3][13CH2]O,"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1+1,2+1",LFQSCWFLJHTTHZ-ZDOIIHCHSA-N,C2H6O,48.054,48.04857448,-0.1,20.2,2,0,1,1,0,3,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
TRIETHOXYFLUOROSILANE,000358-60-1,2776872,triethoxy(fluoro)silane,CCO[Si](OCC)(OCC)F,"InChI=1S/C6H15FO3Si/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3",XVYIJOWQJOQFBG-UHFFFAOYSA-N,C6H15FO3Si,182.26,182.077449,,27.7,84,0,0,4,6,11,,,0,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,1,0,0,0
ACETONITRILE-13C2,001722-25-4,11457648,acetonitrile,[13CH3][13C]#N,"InChI=1S/C2H3N/c1-2-3/h1H3/i1+1,2+1",WEVYAHXRMPXWCK-ZDOIIHCHSA-N,C2H3N,43.037,43.03325877,0,23.8,29,0,0,1,0,3,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
FLUOROACETONITRILE,000503-20-8,10420,2-fluoroacetonitrile,C(C#N)F,InChI=1S/C2H2FN/c3-1-2-4/h1H2,GNFVFPBRMLIKIM-UHFFFAOYSA-N,C2H2FN,59.04,59.01712723,0.4,23.8,41,0,0,2,0,4,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"N,N,N',N"",N""-HEXAMETHYLSILANETRIAMINE",015112-89-7,84795,N-[bis(dimethylamino)silyl]-N-methylmethanamine,CN(C)[SiH](N(C)C)N(C)C,"InChI=1S/C6H19N3Si/c1-7(2)10(8(3)4)9(5)6/h10H,1-6H3",TWVSWDVJBJKDAA-UHFFFAOYSA-N,C6H19N3Si,161.32,161.1348242,,9.7,74,0,0,3,3,10,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"BIS(2,2,2-TRIFLUOROETHYL) CARBONATE",001513-87-7,11447463,"bis(2,2,2-trifluoroethyl) carbonate",C(C(F)(F)F)OC(=O)OCC(F)(F)F,"InChI=1S/C5H4F6O3/c6-4(7,8)1-13-3(12)14-2-5(9,10)11/h1-2H2",WLLOZRDOFANZMZ-UHFFFAOYSA-N,C5H4F6O3,226.07,226.006463,2.7,35.5,175,0,0,9,4,14,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"3,3,3-TRIFLUOROPROPIONITRILE",020530-38-5,12702817,"3,3,3-trifluoropropanenitrile",C(C#N)C(F)(F)F,"InChI=1S/C3H2F3N/c4-3(5,6)1-2-7/h1H2",WDGHUZCUXKJUJQ-UHFFFAOYSA-N,C3H2F3N,109.05,109.0139336,1,23.8,94,0,0,4,0,7,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
FLUOROACETONE,000430-51-3,9889,1-fluoropropan-2-one,CC(=O)CF,"InChI=1S/C3H5FO/c1-3(5)2-4/h2H2,1H3",MSWVMWGCNZQPIA-UHFFFAOYSA-N,C3H5FO,76.07,76.03244294,0.3,17.1,42,0,0,2,1,5,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
ACETONE-2-13C,003881-06-9,11007810,(213C)propan-2-one,C[13C](=O)C,InChI=1S/C3H6O/c1-3(2)4/h1-2H3/i3+1,CSCPPACGZOOCGX-LBPDFUHNSA-N,C3H6O,59.07,59.04521965,-0.1,17.1,26,0,0,1,0,4,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
1-FLUORO-2-IODOETHANE,000762-51-6,69804,1-fluoro-2-iodoethane,C(CI)F,InChI=1S/C2H4FI/c3-1-2-4/h1-2H2,LVYJIIRJQDEGBR-UHFFFAOYSA-N,C2H4FI,173.96,173.93418,1.7,0,10,0,0,1,1,4,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,1-DICHLOROPROPANE",000078-99-9,6573,"1,1-dichloropropane",CCC(Cl)Cl,"InChI=1S/C3H6Cl2/c1-2-3(4)5/h3H,2H2,1H3",WIHMGGWNMISDNJ-UHFFFAOYSA-N,C3H6Cl2,112.98,111.9846556,2.5,0,18,0,0,0,1,5,"70 °F (est.) (USCG, 1999)","190.6 °F at 760 mmHg (USCG, 1999)",0,0,1,0,0,1,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"ALUMINUM, CHLORODIETHYL-",000096-10-6,7277,chloro(diethyl)alumane,CC[Al](CC)Cl,"InChI=1S/2C2H5.Al.ClH/c2*1-2;;/h2*1H2,2H3;;1H/q;;+1;/p-1",YNLAOSYQHBDIKW-UHFFFAOYSA-M,C4H10AlCl,120.56,120.0286414,,0,26,0,0,0,2,6,-23 °C (closed cup),208 °C,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"1-BUTANAMINE, 2-METHYL-",000096-15-1,7283,2-methylbutan-1-amine,CCC(C)CN,"InChI=1S/C5H13N/c1-3-5(2)4-6/h5H,3-4,6H2,1-2H3",VJROPLWGFCORRM-UHFFFAOYSA-N,C5H13N,87.16,87.10479942,1,26,27,0,1,1,2,6,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"SILANE, TRICHLORO-2-PROPENYL-",000107-37-9,7867,trichloro(prop-2-enyl)silane,C=CC[Si](Cl)(Cl)Cl,"InChI=1S/C3H5Cl3Si/c1-2-3-7(4,5)6/h2H,1,3H2",HKFSBKQQYCMCKO-UHFFFAOYSA-N,C3H5Cl3Si,175.51,173.92261,,0,65,0,0,0,1,7,"95 °F (USCG, 1999)","241 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"1-BUTANOL, 3-METHYL-, FORMATE",000110-45-2,8052,3-methylbutyl formate,CC(C)CCOC=O,"InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3",XKYICAQFSCFURC-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,1.8,26.3,59,0,0,2,4,8,,123.00 to 124.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
"SILANE, DICHLOROETHENYLMETHYL-",000124-70-9,31299,dichloro-ethenyl-methylsilane,C[Si](C=C)(Cl)Cl,"InChI=1S/C3H6Cl2Si/c1-3-6(2,4)5/h3H,1H2,2H3",YLJJAVFOBDSYAN-UHFFFAOYSA-N,C3H6Cl2Si,141.07,139.9615821,,0,59,0,0,0,1,6,,,0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"2-PROPANOL, 1,1,1-TRIFLUORO-",000374-01-6,9774,"1,1,1-trifluoropropan-2-ol",CC(C(F)(F)F)O,"InChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3",GILIYJDBJZWGBG-UHFFFAOYSA-N,C3H5F3O,114.07,114.0292493,0.7,20.2,57,0,1,4,0,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, CHLORODIFLUORO-, ETHYL ESTER",000383-62-0,67843,"ethyl 2-chloro-2,2-difluoroacetate",CCOC(=O)C(F)(F)Cl,"InChI=1S/C4H5ClF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3",GVCAWQUJCHZRCB-UHFFFAOYSA-N,C4H5ClF2O2,158.53,157.9946134,1.4,26.3,115,0,0,4,3,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, TRIFLUORO-, TRIMETHYLSILYL ESTER",000400-53-3,67863,"trimethylsilyl 2,2,2-trifluoroacetate",C[Si](C)(C)OC(=O)C(F)(F)F,"InChI=1S/C5H9F3O2Si/c1-11(2,3)10-4(9)5(6,7)8/h1-3H3",VIYXXANHGYSBLY-UHFFFAOYSA-N,C5H9F3O2Si,186.2,186.0323906,,26.3,158,0,0,5,2,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"ETHENE, (2,2,2-TRIFLUOROETHOXY)-",000406-90-6,9844,"2-ethenoxy-1,1,1-trifluoroethane",C=COCC(F)(F)F,"InChI=1S/C4H5F3O/c1-2-8-3-4(5,6)7/h2H,1,3H2",DLEGDLSLRSOURQ-UHFFFAOYSA-N,C4H5F3O,126.08,126.0292493,1.9,9.2,75,0,0,4,2,8,,"109 °F at 760 mmHg (NIOSH, 2024)",0,0,0,0,0,0,0,1,1,0,1,0,0,0,0,0,0,0,0,0
METHYL FLUOROSULFATE,000421-20-5,9870,fluorosulfonyloxymethane,COS(=O)(=O)F,"InChI=1S/CH3FO3S/c1-5-6(2,3)4/h1H3",MBXNQZHITVCSLJ-UHFFFAOYSA-N,CH3FO3S,114.1,113.9786933,0.2,51.8,107,0,0,4,1,6,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"PROPANOIC ACID, PENTAFLUORO-, ETHYL ESTER",000426-65-3,67928,"ethyl 2,2,3,3,3-pentafluoropropanoate",CCOC(=O)C(C(F)(F)F)(F)F,"InChI=1S/C5H5F5O2/c1-2-12-3(11)4(6,7)5(8,9)10/h2H2,1H3",DBOFMRQAMAZKQY-UHFFFAOYSA-N,C5H5F5O2,192.08,192.0209702,2.1,26.3,173,0,0,7,3,12,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, DIFLUORO-, ETHYL ESTER",000454-31-9,9961,"ethyl 2,2-difluoroacetate",CCOC(=O)C(F)F,"InChI=1S/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3",GZKHDVAKKLTJPO-UHFFFAOYSA-N,C4H6F2O2,124.09,124.0335858,0.9,26.3,82,0,0,4,3,8,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
"BUTANE, 2-BROMO-2-METHYL-",000507-36-8,68180,2-bromo-2-methylbutane,CCC(C)(C)Br,"InChI=1S/C5H11Br/c1-4-5(2,3)6/h4H2,1-3H3",JOUWCKCVTDSMHF-UHFFFAOYSA-N,C5H11Br,151.04,150.00441,2.5,0,39,0,0,0,1,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-BUTANETHIOL,000513-53-1,10560,butane-2-thiol,CCC(C)S,"InChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3",LOCHFZBWPCLPAN-UHFFFAOYSA-N,C4H10S,90.19,90.05032149,1.8,1,19,0,1,1,1,5,-10 °F (-23 °C) (Closed cup),84-85 °C,1,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,1
"FORMIC ACID, 2-METHYLPROPYL ESTER",000542-55-2,10957,2-methylpropyl formate,CC(C)COC=O,"InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3",AVMSWPWPYJVYKY-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,1.5,26.3,50,0,0,2,3,7,"less than 70 °F (NFPA, 2010)",97.00 to 99.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
"SILANE, DIETHYL-",000542-91-6,68337,diethylsilane,CC[SiH2]CC,"InChI=1S/C4H12Si/c1-3-5-4-2/h3-5H2,1-2H3",UCXUKTLCVSGCNR-UHFFFAOYSA-N,C4H12Si,88.22,88.07082692,,0,11,0,0,0,2,5,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-PROPENE, 2-BROMO-",000557-93-7,11202,2-bromoprop-1-ene,CC(=C)Br,"InChI=1S/C3H5Br/c1-3(2)4/h1H2,2H3",PHMRPWPDDRGGGF-UHFFFAOYSA-N,C3H5Br,120.98,119.95746,1.9,0,30,0,0,0,0,4,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"PENTANE, 2,3,3-TRIMETHYL-",000560-21-4,11215,"2,3,3-trimethylpentane",CCC(C)(C)C(C)C,"InChI=1S/C8H18/c1-6-8(4,5)7(2)3/h7H,6H2,1-5H3",OKVWYBALHQFVFP-UHFFFAOYSA-N,C8H18,114.23,114.1408506,3.8,0,60,0,0,0,2,8,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
"3,3-DIMETHYLPENTANE",000562-49-2,11229,"3,3-dimethylpentane",CCC(C)(C)CC,"InChI=1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3",AEXMKKGTQYQZCS-UHFFFAOYSA-N,C7H16,100.2,100.1252005,3.6,0,38,0,0,0,2,7,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
"HEXANE, 3,4-DIMETHYL-",000583-48-2,11412,"3,4-dimethylhexane",CCC(C)C(C)CC,"InChI=1S/C8H18/c1-5-7(3)8(4)6-2/h7-8H,5-6H2,1-4H3",RNTWWGNZUXGTAX-UHFFFAOYSA-N,C8H18,114.23,114.1408506,4,0,40,0,0,0,3,8,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
"FORMIC ACID, 1-METHYLPROPYL ESTER",000589-40-2,79049,butan-2-yl formate,CCC(C)OC=O,"InChI=1S/C5H10O2/c1-3-5(2)7-4-6/h4-5H,3H2,1-2H3",OAEQYDZVVPONKW-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,1.5,26.3,52,0,0,2,3,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1-PROPENE, 1-BROMO-",000590-14-7,11533,1-bromoprop-1-ene,CC=CBr,"InChI=1S/C3H5Br/c1-2-3-4/h2-3H,1H3",NNQDMQVWOWCVEM-UHFFFAOYSA-N,C3H5Br,120.98,119.95746,1.8,0,22,0,0,0,0,4,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-BUTENE, 1-CHLORO-",000591-97-9,11589,1-chlorobut-2-ene,CC=CCCl,"InChI=1S/C4H7Cl/c1-2-3-4-5/h2-3H,4H2,1H3",YTKRILODNOEEPX-UHFFFAOYSA-N,C4H7Cl,90.55,90.0236279,1.7,0,30,0,0,0,1,5,,,0,0,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,0
"PENTANE, 1-FLUORO-",000592-50-7,11603,1-fluoropentane,CCCCCF,"InChI=1S/C5H11F/c1-2-3-4-5-6/h2-5H2,1H3",OEPRBXUJOQLYID-UHFFFAOYSA-N,C5H11F,90.14,90.08447851,2.3,0,19,0,0,1,3,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-BUTANAMINE, 3-METHYL-",000598-74-3,11731,3-methylbutan-2-amine,CC(C)C(C)N,"InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3",JOZZAIIGWFLONA-UHFFFAOYSA-N,C5H13N,87.16,87.10479942,1,26,32,0,1,1,1,6,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"PENTANE, 3-CHLORO-",000616-20-6,12016,3-chloropentane,CCC(CC)Cl,"InChI=1S/C5H11Cl/c1-3-5(6)4-2/h5H,3-4H2,1-2H3",CXQSCYIVCSCSES-UHFFFAOYSA-N,C5H11Cl,106.59,106.054928,2.7,0,23,0,0,0,2,6,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-BUTENOIC ACID, METHYL ESTER, (E)-",000623-43-8,638132,methyl (E)-but-2-enoate,C/C=C/C(=O)OC,"InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3-4H,1-2H3/b4-3+",MCVVUJPXSBQTRZ-ONEGZZNKSA-N,C5H8O2,100.12,100.0524295,0.9,26.3,84,0,0,2,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"PENTANOIC ACID, METHYL ESTER",000624-24-8,12206,methyl pentanoate,CCCCC(=O)OC,"InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3",HNBDRPTVWVGKBR-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,2,26.3,68,0,0,2,4,8,"72 °F (NTP, 1992)","259.7 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PENTANE, 2-CHLORO-",000625-29-6,12245,2-chloropentane,CCCC(C)Cl,"InChI=1S/C5H11Cl/c1-3-4-5(2)6/h5H,3-4H2,1-2H3",NFRKUDYZEVQXTE-UHFFFAOYSA-N,C5H11Cl,106.59,106.054928,2.5,0,27,0,0,0,2,6,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-PENTEN-2-ONE,000625-33-2,637920,(E)-pent-3-en-2-one,C/C=C/C(=O)C,"InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+",LABTWGUMFABVFG-ONEGZZNKSA-N,C5H8O,84.12,84.05751487,0.5,17.1,72,0,0,1,1,6,,122.5 °C,0,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"PROPANE, 2-ETHOXY-",000625-54-7,12256,2-ethoxypropane,CCOC(C)C,"InChI=1S/C5H12O/c1-4-6-5(2)3/h5H,4H2,1-3H3",XSJVWZAETSBXKU-UHFFFAOYSA-N,C5H12O,88.15,88.088815,0.9,9.2,25,0,0,1,2,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"FORMIC ACID, 1-METHYLETHYL ESTER",000625-55-8,12257,propan-2-yl formate,CC(C)OC=O,"InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3",RMOUBSOVHSONPZ-UHFFFAOYSA-N,C4H8O2,88.11,88.05242949,0.9,26.3,40,0,0,2,2,6,22 °F (closed cup),68.2 °C at 760 mm Hg,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
"ETHANETHIOIC ACID, S-ETHYL ESTER",000625-60-5,61171,S-ethyl ethanethioate,CCSC(=O)C,"InChI=1S/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3",APTGPWJUOYMUCE-UHFFFAOYSA-N,C4H8OS,104.17,104.0295861,1,42.4,51,0,0,2,2,6,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"PROPANE, 1-(1-METHYLETHOXY)-",000627-08-7,12304,1-propan-2-yloxypropane,CCCOC(C)C,"InChI=1S/C6H14O/c1-4-5-7-6(2)3/h6H,4-5H2,1-3H3",JIEJJGMNDWIGBJ-UHFFFAOYSA-N,C6H14O,102.17,102.1044651,1.8,9.2,33,0,0,1,3,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
"1-PROPENE, 3-METHOXY-",000627-40-7,69392,3-methoxyprop-1-ene,COCC=C,"InChI=1S/C4H8O/c1-3-4-5-2/h3H,1,4H2,2H3",FASUFOTUSHAIHG-UHFFFAOYSA-N,C4H8O,72.11,72.05751487,0.7,9.2,24,0,0,1,2,5,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"1,5-HEXADIYNE",000628-16-0,69402,"hexa-1,5-diyne",C#CCCC#C,"InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H,5-6H2",YFIBSNDOVCWPBL-UHFFFAOYSA-N,C6H6,78.11,78.04695019,1.4,0,86,0,0,0,1,6,,,0,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"BUTANE, 1-(METHYLTHIO)-",000628-29-5,12339,1-methylsulfanylbutane,CCCCSC,"InChI=1S/C5H12S/c1-3-4-5-6-2/h3-5H2,1-2H3",WCXXISMIJBRDQK-UHFFFAOYSA-N,C5H12S,104.22,104.0659716,2.1,25.3,19,0,0,1,3,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
METHYLMAGNESIUM CHLORIDE,000676-58-4,12670,magnesium;carbanide;chloride,[CH3-].[Mg+2].[Cl-],InChI=1S/CH3.ClH.Mg/h1H3;1H;/q-1;;+2/p-1,CCERQOYLJJULMD-UHFFFAOYSA-M,CH3ClMg,74.79,73.9773695,,0,4,0,0,2,0,3,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"MAGNESIUM, BROMOPENTYL-",000693-25-4,101838,magnesium;pentane;bromide,CCCC[CH2-].[Mg+2].[Br-],"InChI=1S/C5H11.BrH.Mg/c1-3-5-4-2;;/h1,3-5H2,2H3;1H;/q-1;;+2/p-1",XWCQLLDGXBLGMD-UHFFFAOYSA-M,C5H11BrMg,175.35,173.98945,,0,17,0,0,2,2,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"SILANE, ETHYLDIMETHYL-",000758-21-4,69795,ethyl(dimethyl)silane,CC[SiH](C)C,"InChI=1S/C4H12Si/c1-4-5(2)3/h5H,4H2,1-3H3",QGBMSFLTRRZTGI-UHFFFAOYSA-N,C4H12Si,88.22,88.07082692,,0,17,0,0,0,1,5,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"SILANE, DIETHYLMETHYL-",000760-32-7,6327653,,CC[Si](C)CC,"InChI=1S/C5H13Si/c1-4-6(3)5-2/h4-5H2,1-3H3",JQZUMFHYRULBEN-UHFFFAOYSA-N,C5H13Si,101.24,101.0786519,,0,23,0,0,0,2,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-PENTENAL,000764-39-6,12993,pent-2-enal,CCC=CC=O,"InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3",DTCCTIQRPGSLPT-UHFFFAOYSA-N,C5H8O,84.12,84.05751487,1,17.1,55,0,0,1,2,6,,,0,1,0,1,0,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0
"3-BUTEN-2-ONE, 3-METHYL-",000814-78-8,13143,3-methylbut-3-en-2-one,CC(=C)C(=O)C,"InChI=1S/C5H8O/c1-4(2)5(3)6/h1H2,2-3H3",ZGHFDIIVVIFNPS-UHFFFAOYSA-N,C5H8O,84.12,84.05751487,0.9,17.1,81,0,0,1,1,6,"less than 73 °F (USCG, 1999)","208 °F at 760 mmHg (USCG, 1999)",0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-PENTENE, 3-ETHYL-",000816-79-5,13159,3-ethylpent-2-ene,CCC(=CC)CC,"InChI=1S/C7H14/c1-4-7(5-2)6-3/h4H,5-6H2,1-3H3",XMYFZAWUNVHVGI-UHFFFAOYSA-N,C7H14,98.19,98.10955045,3.2,0,54,0,0,0,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Ethane, azo-",000821-14-7,13183,diethyldiazene,CCN=NCC,"InChI=1S/C4H10N2/c1-3-5-6-4-2/h3-4H2,1-2H3",INTMMHZKGCDQGT-UHFFFAOYSA-N,C4H10N2,86.14,86.08439833,1,24.7,34,0,0,2,2,6,,,0,1,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"BUTANOIC ACID, 2-METHYL-, METHYL ESTER",000868-57-5,13357,methyl 2-methylbutanoate,CCC(C)C(=O)OC,"InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3",OCWLYWIFNDCWRZ-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,1.5,26.3,78,0,0,2,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"BUTANE, 2-ETHOXY-2-METHYL-",000919-94-8,13527,2-ethoxy-2-methylbutane,CCC(C)(C)OCC,"InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3",KFRVYYGHSPLXSZ-UHFFFAOYSA-N,C7H16O,116.2,116.1201151,2,9.2,57,0,0,1,3,8,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-PENTENE, 3-METHYL-, (Z)-",000922-62-3,643935,(Z)-3-methylpent-2-ene,CC/C(=C\C)/C,"InChI=1S/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3/b6-4-",BEQGRRJLJLVQAQ-XQRVVYSFSA-N,C6H12,84.16,84.09390038,2.7,0,51,0,0,0,1,6,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"OXO-ACETIC ACID, ETHYL ESTER",000924-44-7,70211,ethyl 2-oxoacetate,CCOC(=O)C=O,"InChI=1S/C4H6O3/c1-2-7-4(6)3-5/h3H,2H2,1H3",DBPFRRFGLYGEJI-UHFFFAOYSA-N,C4H6O3,102.09,102.031694,0.4,43.4,77,0,0,3,3,7,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,1,1,1,1
"1,3-PENTADIENE, 4-METHYL-",000926-56-7,13555,"4-methylpenta-1,3-diene",CC(=CC=C)C,"InChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,1H2,2-3H3",CJSBUWDGPXGFGA-UHFFFAOYSA-N,C6H10,82.14,82.07825032,2.7,0,64,0,0,0,1,6,"-30 °F (NFPA, 2010)",,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-BUTENE, 4-CHLORO-",000927-73-1,13565,4-chlorobut-1-ene,C=CCCCl,"InChI=1S/C4H7Cl/c1-2-3-4-5/h2H,1,3-4H2",WKEVRZCQFQDCIR-UHFFFAOYSA-N,C4H7Cl,90.55,90.0236279,1.9,0,24,0,0,0,2,5,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"SILANE, HEXYL-",001072-14-6,6328653,,CCCCCC[Si],"InChI=1S/C6H13Si/c1-2-3-4-5-6-7/h2-6H2,1H3",KRZXWIWNHRUKDF-UHFFFAOYSA-N,C6H13Si,113.25,113.0786519,,0,27,0,0,0,4,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"SILANE, DIMETHYLDI-2-PROPENYL-",001113-12-8,66190,dimethyl-bis(prop-2-enyl)silane,C[Si](C)(CC=C)CC=C,"InChI=1S/C8H16Si/c1-5-7-9(3,4)8-6-2/h5-6H,1-2,7-8H2,3-4H3",ZDSFBVVBFMKMRF-UHFFFAOYSA-N,C8H16Si,140.3,140.102127,,0,91,0,0,0,4,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"GERMANE, TRICHLORO-",001184-65-2,6328654,,Cl[Ge](Cl)Cl,InChI=1S/Cl3Ge/c1-4(2)3,YITSIQZHKDXQEI-UHFFFAOYSA-N,Cl3Ge,179,178.827736,,0,8,0,0,0,0,4,,,1,0,0,0,0,0,1,1,1,0,0,1,0,0,0,0,1,0,0,1
"TRISILOXANE, 1,1,3,3,5,5-HEXAMETHYL-",001189-93-1,6327152,,C[Si](C)O[Si](C)(C)O[Si](C)C,"InChI=1S/C6H18O2Si3/c1-9(2)7-11(5,6)8-10(3)4/h1-6H3",YTEISYFNYGDBRV-UHFFFAOYSA-N,C6H18O2Si3,206.46,206.0614594,,18.5,102,0,0,2,4,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"DISILOXANE, ETHENYLPENTAMETHYL-",001438-79-5,74036,ethenyl-dimethyl-trimethylsilyloxysilane,C[Si](C)(C)O[Si](C)(C)C=C,"InChI=1S/C7H18OSi2/c1-7-10(5,6)8-9(2,3)4/h7H,1H2,2-6H3",MRRXLWNSVYPSRB-UHFFFAOYSA-N,C7H18OSi2,174.39,174.0896183,,9.2,124,0,0,1,3,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-PROPENE, 3-PROPOXY-",001471-03-0,15119,1-prop-2-enoxypropane,CCCOCC=C,"InChI=1S/C6H12O/c1-3-5-7-6-4-2/h3H,1,4-6H2,2H3",LWJHSQQHGRQCKO-UHFFFAOYSA-N,C6H12O,100.16,100.088815,1.6,9.2,41,0,0,1,4,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,3-PENTADIENE, (Z)-",001574-41-0,643785,"(3Z)-penta-1,3-diene",C/C=C\C=C,"InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4-",PMJHHCWVYXUKFD-PLNGDYQASA-N,C5H8,68.12,68.06260026,2.4,0,42,0,0,0,1,5,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
1-PENTEN-3-ONE,001629-58-9,15394,pent-1-en-3-one,CCC(=O)C=C,"InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3",JLIDVCMBCGBIEY-UHFFFAOYSA-N,C5H8O,84.12,84.05751487,1,17.1,64,0,0,1,2,6,,38.00 °C. @ 60.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-BUTANETHIOL, 2-METHYL-",001679-09-0,15511,2-methylbutane-2-thiol,CCC(C)(C)S,"InChI=1S/C5H12S/c1-4-5(2,3)6/h6H,4H2,1-3H3",IQIBYAHJXQVQGB-UHFFFAOYSA-N,C5H12S,104.22,104.0659716,2,1,39,0,1,1,1,6,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,1
"2,2-PROPANEDIAMINE, 1,1,1,3,3,3-HEXAFLUORO-",001737-80-0,74441,"1,1,1,3,3,3-hexafluoropropane-2,2-diamine",C(C(F)(F)F)(C(F)(F)F)(N)N,"InChI=1S/C3H4F6N2/c4-2(5,6)1(10,11)3(7,8)9/h10-11H2",NAIPMAOGJXOHIF-UHFFFAOYSA-N,C3H4F6N2,182.07,182.0278671,0.6,52,127,0,2,8,0,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"PROPANE, 2-ISOCYANATO-",001795-48-8,61277,2-isocyanatopropane,CC(C)N=C=O,"InChI=1S/C4H7NO/c1-4(2)5-3-6/h4H,1-2H3",GSLTVFIVJMCNBH-UHFFFAOYSA-N,C4H7NO,85.1,85.05276385,1.8,29.4,71,0,0,2,1,6,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,1,0,1,1,0,1
"SILANE, CHLOROMETHOXYDIMETHYL-",001825-68-9,74579,chloro-methoxy-dimethylsilane,CO[Si](C)(C)Cl,"InChI=1S/C3H9ClOSi/c1-5-6(2,3)4/h1-3H3",AWSNMQUTBVZKHY-UHFFFAOYSA-N,C3H9ClOSi,124.64,124.0111191,,9.2,46,0,0,1,1,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"TRISILOXANE, 1,1,1,3,5,5,5-HEPTAMETHYL-",001873-88-7,6327366,,C[Si](O[Si](C)(C)C)O[Si](C)(C)C,"InChI=1S/C7H21O2Si3/c1-10(8-11(2,3)4)9-12(5,6)7/h1-7H3",SWGZAKPJNWCPRY-UHFFFAOYSA-N,C7H21O2Si3,221.5,221.0849345,,18.5,121,0,0,2,4,12,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"SILANE, DICHLOROMETHYL-2-PROPENYL-",001873-92-3,74641,dichloro-methyl-prop-2-enylsilane,C[Si](CC=C)(Cl)Cl,"InChI=1S/C4H8Cl2Si/c1-3-4-7(2,5)6/h3H,1,4H2,2H3",YCEQUKAYVABWTE-UHFFFAOYSA-N,C4H8Cl2Si,155.09,153.9772322,,0,70,0,0,0,2,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"1-BUTANETHIOL, 2-METHYL-",001878-18-8,15877,2-methylbutane-1-thiol,CCC(C)CS,"InChI=1S/C5H12S/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3",WGQKBCSACFQGQY-UHFFFAOYSA-N,C5H12S,104.22,104.0659716,2.2,1,27,0,1,1,2,6,,116.00 to 118.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-BUTANETHIOL, 3-METHYL-",002084-18-6,519823,3-methylbutane-2-thiol,CC(C)C(C)S,"InChI=1S/C5H12S/c1-4(2)5(3)6/h4-6H,1-3H3",BFLXFRNPNMTTAA-UHFFFAOYSA-N,C5H12S,104.22,104.0659716,2.3,1,32,0,1,1,1,6,,117.00 to 118.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"SILANE, METHYLENEBIS[TRIMETHYL-",002117-28-4,75029,trimethyl(trimethylsilylmethyl)silane,C[Si](C)(C)C[Si](C)(C)C,"InChI=1S/C7H20Si2/c1-8(2,3)7-9(4,5)6/h7H2,1-6H3",GYIODRUWWNNGPI-UHFFFAOYSA-N,C7H20Si2,160.4,160.1103537,,0,72,0,0,0,2,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
CHLOROPROPYLMAGNESIUM,002234-82-4,75225,magnesium;propane;chloride,CC[CH2-].[Mg+2].[Cl-],"InChI=1S/C3H7.ClH.Mg/c1-3-2;;/h1,3H2,2H3;1H;/q-1;;+2/p-1",RYEXTBOQKFUPOE-UHFFFAOYSA-M,C3H7ClMg,102.84,102.0086696,,0,6,0,0,2,0,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"1-PROPEN-2-OL, 3,3,3-TRIFLUORO-, ACETATE",002247-91-8,75254,"3,3,3-trifluoroprop-1-en-2-yl acetate",CC(=O)OC(=C)C(F)(F)F,"InChI=1S/C5H5F3O2/c1-3(5(6,7)8)10-4(2)9/h1H2,2H3",VOKGSDIHTCTXDS-UHFFFAOYSA-N,C5H5F3O2,154.09,154.0241639,1.5,26.3,159,0,0,5,2,10,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
CHLOROETHYLMAGNESIUM,002386-64-3,75432,magnesium;ethane;chloride,C[CH2-].[Mg+2].[Cl-],"InChI=1S/C2H5.ClH.Mg/c1-2;;/h1H2,2H3;1H;/q-1;;+2/p-1",YCCXQARVHOPWFJ-UHFFFAOYSA-M,C2H5ClMg,88.82,87.9930195,,0,6,0,0,2,0,4,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"1,6-HEPTADIYNE",002396-63-6,337121,"hepta-1,6-diyne",C#CCCCC#C,"InChI=1S/C7H8/c1-3-5-7-6-4-2/h1-2H,5-7H2",RSPZSDWVQWRAEF-UHFFFAOYSA-N,C7H8,92.14,92.06260026,1.9,0,97,0,0,0,2,7,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-PROPEN-1-AMINE, N-METHYL-N-2-PROPENYL-",002424-01-3,75501,N-methyl-N-prop-2-enylprop-2-en-1-amine,CN(CC=C)CC=C,"InChI=1S/C7H13N/c1-4-6-8(3)7-5-2/h4-5H,1-2,6-7H2,3H3",WGESLFUSXZBFQF-UHFFFAOYSA-N,C7H13N,111.18,111.1047994,1.6,3.2,66,0,0,1,4,8,,,0,1,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
"MAGNESIUM, CHLORO-2-PROPENYL-",002622-05-1,75804,magnesium;prop-1-ene;chloride,[CH2-]C=C.[Mg+2].[Cl-],"InChI=1S/C3H5.ClH.Mg/c1-3-2;;/h3H,1-2H2;1H;/q-1;;+2/p-1",CYSFUFRXDOAOMP-UHFFFAOYSA-M,C3H5ClMg,100.83,99.9930195,,0,14,0,0,2,0,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"3-BUTYN-2-AMINE, 2-METHYL-",002978-58-7,76319,2-methylbut-3-yn-2-amine,CC(C)(C#C)N,"InChI=1S/C5H9N/c1-4-5(2,3)6/h1H,6H2,2-3H3",VUGCBIWQHSRQBZ-UHFFFAOYSA-N,C5H9N,83.13,83.07349929,0,26,83,0,1,1,1,6,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,1,0,1,0,0,0
"1,6-HEPTADIENE",003070-53-9,16968,"hepta-1,6-diene",C=CCCCC=C,"InChI=1S/C7H12/c1-3-5-7-6-4-2/h3-4H,1-2,5-7H2",GEAWFZNTIFJMHR-UHFFFAOYSA-N,C7H12,96.17,96.09390038,3,0,45,0,0,0,4,7,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"3-HEXENE, 2,2-DIMETHYL-",003123-93-1,5357261,"(E)-2,2-dimethylhex-3-ene",CC/C=C/C(C)(C)C,"InChI=1S/C8H16/c1-5-6-7-8(2,3)4/h6-7H,5H2,1-4H3/b7-6+",JPLZSSHKQZJYTJ-VOTSOKGWSA-N,C8H16,112.21,112.1252005,3.4,0,72,0,0,0,2,8,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"PROPANOIC ACID, 2,2-DIMETHYL-, ETHENYL ESTER",003377-92-2,256591,"ethenyl 2,2-dimethylpropanoate",CC(C)(C)C(=O)OC=C,"InChI=1S/C7H12O2/c1-5-9-6(8)7(2,3)4/h5H,1H2,2-4H3",YCUBDDIKWLELPD-UHFFFAOYSA-N,C7H12O2,128.17,128.0837296,2,26.3,119,0,0,2,3,9,,,0,1,1,1,0,1,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-HEXENE, 3-METHYL-",003404-61-3,18848,3-methylhex-1-ene,CCCC(C)C=C,"InChI=1S/C7H14/c1-4-6-7(3)5-2/h5,7H,2,4,6H2,1,3H3",RITONZMLZWYPHW-UHFFFAOYSA-N,C7H14,98.19,98.10955045,3.3,0,46,0,0,0,3,7,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"3-BUTENOIC ACID, METHYL ESTER",003724-55-8,77314,methyl but-3-enoate,COC(=O)CC=C,"InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3H,1,4H2,2H3",GITITJADGZYSRL-UHFFFAOYSA-N,C5H8O2,100.12,100.0524295,0.9,26.3,76,0,0,2,3,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"SILANE, TRIMETHYL(METHYLTHIO)-",003908-55-2,77513,trimethyl(methylsulfanyl)silane,C[Si](C)(C)SC,"InChI=1S/C4H12SSi/c1-5-6(2,3)4/h1-4H3",JDYCDPFQWXHUDL-UHFFFAOYSA-N,C4H12SSi,120.29,120.0428981,,25.3,37,0,0,1,1,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"PROPANOIC ACID, 2,2-DIMETHYL-, ETHYL ESTER",003938-95-2,19838,"ethyl 2,2-dimethylpropanoate",CCOC(=O)C(C)(C)C,"InChI=1S/C7H14O2/c1-5-9-6(8)7(2,3)4/h5H2,1-4H3",HHEIMYAXCOIQCJ-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,1.9,26.3,100,0,0,2,3,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"SILANE, [(1,1-DIMETHYLETHYL)DIOXY]TRIMETHYL-",003965-63-7,77585,tert-butylperoxy(trimethyl)silane,CC(C)(C)OO[Si](C)(C)C,"InChI=1S/C7H18O2Si/c1-7(2,3)8-9-10(4,5)6/h1-6H3",XTXFUQOLBKQKJU-UHFFFAOYSA-N,C7H18O2Si,162.3,162.1076063,,18.5,99,0,0,2,3,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHINE, BIS(2-METHYLPROPYL)-",004006-38-6,77622,bis(2-methylpropyl)phosphane,CC(C)CPCC(C)C,"InChI=1S/C8H19P/c1-7(2)5-9-6-8(3)4/h7-9H,5-6H2,1-4H3",LREAZWJEBORMTB-UHFFFAOYSA-N,C8H19P,146.21,146.1224376,2.6,0,49,0,0,0,4,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"SILANE, CHLORODIMETHYL-2-PROPENYL-",004028-23-3,77646,chloro-dimethyl-prop-2-enylsilane,C[Si](C)(CC=C)Cl,"InChI=1S/C5H11ClSi/c1-4-5-7(2,3)6/h4H,1,5H2,2-3H3",KMVZWUQHMJAWSY-UHFFFAOYSA-N,C5H11ClSi,134.68,134.0318546,,0,68,0,0,0,2,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"ETHENONE, (TRIMETHYLSILYL)-",004071-85-6,77686,2-trimethylsilylethenone,C[Si](C)(C)C=C=O,"InChI=1S/C5H10OSi/c1-7(2,3)5-4-6/h5H,1-3H3",GYUIBRZEAWWIHU-UHFFFAOYSA-N,C5H10OSi,114.22,114.0500915,,17.1,95,0,0,1,1,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-PROPYN-1-AMINE, N,N-DIETHYL-",004079-68-9,20010,"N,N-diethylprop-2-yn-1-amine",CCN(CC)CC#C,"InChI=1S/C7H13N/c1-4-7-8(5-2)6-3/h1H,5-7H2,2-3H3",JZJXKEWVUBVOEH-UHFFFAOYSA-N,C7H13N,111.18,111.1047994,1.1,3.2,83,0,0,1,3,8,,,0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 2-METHYL-, ETHENYL ESTER",004245-37-8,77921,ethenyl 2-methylprop-2-enoate,CC(=C)C(=O)OC=C,"InChI=1S/C6H8O2/c1-4-8-6(7)5(2)3/h4H,1-2H2,3H3",FFYWKOUKJFCBAM-UHFFFAOYSA-N,C6H8O2,112.13,112.0524295,1.6,26.3,124,0,0,2,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"SILANE, DICHLOROETHYLMETHYL-",004525-44-4,78286,dichloro-ethyl-methylsilane,CC[Si](C)(Cl)Cl,"InChI=1S/C3H8Cl2Si/c1-3-6(2,4)5/h3H2,1-2H3",PNECSTWRDNQOLT-UHFFFAOYSA-N,C3H8Cl2Si,143.08,141.9772322,,0,44,0,0,0,1,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"PENTANE, 3-(CHLOROMETHYL)-",004737-41-1,107585,3-(chloromethyl)pentane,CCC(CC)CCl,"InChI=1S/C6H13Cl/c1-3-6(4-2)5-7/h6H,3-5H2,1-2H3",PQHNRODYYLFLRE-UHFFFAOYSA-N,C6H13Cl,120.62,120.0705781,2.9,0,31,0,0,0,3,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PROPANE, 1,1-DIETHOXY-",004744-08-5,20858,"1,1-diethoxypropane",CCC(OCC)OCC,"InChI=1S/C7H16O2/c1-4-7(8-5-2)9-6-3/h7H,4-6H2,1-3H3",MBNMGGKBGCIEGF-UHFFFAOYSA-N,C7H16O2,132.2,132.1150297,1.7,18.5,48,0,0,2,5,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"HEXANE, 1-METHOXY-",004747-07-3,78484,1-methoxyhexane,CCCCCCOC,"InChI=1S/C7H16O/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3",ICBJCVRQDSQPGI-UHFFFAOYSA-N,C7H16O,116.2,116.1201151,2.4,9.2,35,0,0,1,5,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-BUTENE, 1-BROMO-",004784-77-4,122414,1-bromobut-2-ene,CC=CCBr,"InChI=1S/C4H7Br/c1-2-3-4-5/h2-3H,4H2,1H3",AVMHMVJVHYGDOO-UHFFFAOYSA-N,C4H7Br,135,133.97311,1.9,0,30,0,0,0,1,5,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"2-BUTENE, 1-CHLORO-, (E)-",004894-61-5,637923,(E)-1-chlorobut-2-ene,C/C=C/CCl,"InChI=1S/C4H7Cl/c1-2-3-4-5/h2-3H,4H2,1H3/b3-2+",YTKRILODNOEEPX-NSCUHMNNSA-N,C4H7Cl,90.55,90.0236279,1.7,0,30,0,0,0,1,5,,,0,0,1,1,0,0,1,0,1,0,0,0,0,0,0,0,1,1,0,1
"1-HEPTENE, 6-METHYL-",005026-76-6,21122,6-methylhept-1-ene,CC(C)CCCC=C,"InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h4,8H,1,5-7H2,2-3H3",DFVOXRAAHOJJBN-UHFFFAOYSA-N,C8H16,112.21,112.1252005,3.7,0,53,0,0,0,4,8,"less than 20 °F (NFPA, 2010)",,0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
"SILANE, ETHENYLETHOXYDIMETHYL-",005356-83-2,79315,ethenyl-ethoxy-dimethylsilane,CCO[Si](C)(C)C=C,"InChI=1S/C6H14OSi/c1-5-7-8(3,4)6-2/h6H,2,5H2,1,3-4H3",JEWCZPTVOYXPGG-UHFFFAOYSA-N,C6H14OSi,130.26,130.0813916,,9.2,78,0,0,1,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-PROPEN-1-AMINE, N,N-DIETHYL-",005666-17-1,79748,"N,N-diethylprop-2-en-1-amine",CCN(CC)CC=C,"InChI=1S/C7H15N/c1-4-7-8(5-2)6-3/h4H,1,5-7H2,2-3H3",JWAJUTZQGZBKFS-UHFFFAOYSA-N,C7H15N,113.2,113.1204495,1.6,3.2,55,0,0,1,4,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
CHLORO(2-METHYLPROPYL)MAGNESIUM,005674-02-2,4384856,magnesium;2-methanidylpropane;chloride,CC(C)[CH2-].[Mg+2].[Cl-],"InChI=1S/C4H9.ClH.Mg/c1-4(2)3;;/h4H,1H2,2-3H3;1H;/q-1;;+2/p-1",YSMZEMQBSONIMJ-UHFFFAOYSA-M,C4H9ClMg,116.87,116.0243197,,0,15,0,0,2,0,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"SILANE, (ETHENYLOXY)TRIMETHYL-",006213-94-1,80344,ethenoxy(trimethyl)silane,C[Si](C)(C)OC=C,"InChI=1S/C5H12OSi/c1-5-6-7(2,3)4/h5H,1H2,2-4H3",HFTNNOZFRQLFQB-UHFFFAOYSA-N,C5H12OSi,116.23,116.0657415,,9.2,63,0,0,1,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BUTANOYL CHLORIDE, 3,3-DIMETHYL-",007065-46-5,81514,"3,3-dimethylbutanoyl chloride",CC(C)(C)CC(=O)Cl,"InChI=1S/C6H11ClO/c1-6(2,3)4-5(7)8/h4H2,1-3H3",BUTKIHRNYUEGKB-UHFFFAOYSA-N,C6H11ClO,134.6,134.0498427,2.4,17.1,91,0,0,1,2,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"ETHANE, 1-CHLORO-1-ETHOXY-",007081-78-9,23478,1-chloro-1-ethoxyethane,CCOC(C)Cl,"InChI=1S/C4H9ClO/c1-3-6-4(2)5/h4H,3H2,1-2H3",URGLIMIKUNFFMT-UHFFFAOYSA-N,C4H9ClO,108.57,108.0341926,1.6,9.2,30,0,0,1,2,6,,,0,1,1,1,0,1,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-PROPYN-1-AMINE, N,N-DIMETHYL-",007223-38-3,81643,"N,N-dimethylprop-2-yn-1-amine",CN(C)CC#C,"InChI=1S/C5H9N/c1-4-5-6(2)3/h1H,5H2,2-3H3",ILBIXZPOMJFOJP-UHFFFAOYSA-N,C5H9N,83.13,83.07349929,0.4,3.2,65,0,0,1,1,6,,,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"BUTANE, 2,3-DICHLORO-",007581-97-7,24233,"2,3-dichlorobutane",CC(C(C)Cl)Cl,"InChI=1S/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H3",RMISVOPUIFJTEO-UHFFFAOYSA-N,C4H8Cl2,127.01,126.0003056,2.3,0,30,0,0,0,1,6,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0
"SILANE, TRICHLORO(1-CHLOROETHYL)-",007787-82-8,97643,trichloro(1-chloroethyl)silane,CC([Si](Cl)(Cl)Cl)Cl,"InChI=1S/C2H4Cl4Si/c1-2(3)7(4,5)6/h2H,1H3",CAPIMQICDAJXSB-UHFFFAOYSA-N,C2H4Cl4Si,197.9,197.880687,,0,57,0,0,0,0,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"SILANE, (1-CHLOROETHYL)TRIMETHYL-",007787-87-3,111035,1-chloroethyl(trimethyl)silane,CC([Si](C)(C)C)Cl,"InChI=1S/C5H13ClSi/c1-5(6)7(2,3)4/h5H,1-4H3",UWJVDEZZIPJQRF-UHFFFAOYSA-N,C5H13ClSi,136.69,136.0475046,,0,55,0,0,0,1,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Acetaldehyde, 2-methoxy-",010312-83-1,91563,2-methoxyacetaldehyde,COCC=O,"InChI=1S/C3H6O2/c1-5-3-2-4/h2H,3H2,1H3",YSEFYOVWKJXNCH-UHFFFAOYSA-N,C3H6O2,74.08,74.03677943,-0.4,26.3,26,0,0,2,2,5,,,0,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0
"PEROXIDE, BIS(1,1-DIMETHYLPROPYL)",010508-09-5,25320,2-methyl-2-(2-methylbutan-2-ylperoxy)butane,CCC(C)(C)OOC(C)(C)CC,"InChI=1S/C10H22O2/c1-7-9(3,4)11-12-10(5,6)8-2/h7-8H2,1-6H3",JJRDRFZYKKFYMO-UHFFFAOYSA-N,C10H22O2,174.28,174.1619799,3.1,18.5,112,0,0,2,5,12,,,0,0,0,1,0,0,1,0,1,0,1,0,1,0,0,1,1,0,0,0
"ALUMINUM, DI-.MU.-CHLOROCHLOROTRIETHYLDI-",012075-68-2,25508,chloro(diethyl)alumane;dichloro(ethyl)alumane,CC[Al](CC)Cl.CC[Al](Cl)Cl,"InChI=1S/3C2H5.2Al.3ClH/c3*1-2;;;;;/h3*1H2,2H3;;;3*1H/q;;;+1;+2;;;/p-3",LDXMUMPEDOQULK-UHFFFAOYSA-K,C6H15Al2Cl3,247.5,245.98701,,0,48,0,0,0,2,11,-4 °F (-20 °C) (CLOSED CUP),"399 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"Silane, ethoxydimethyl-",014857-34-2,61772,ethoxy(dimethyl)silane,CCO[SiH](C)C,"InChI=1S/C4H12OSi/c1-4-5-6(2)3/h6H,4H2,1-3H3",XZFFGKZBTQABBO-UHFFFAOYSA-N,C4H12OSi,104.22,104.0657415,,9.2,28,0,0,1,2,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
4-HEPTANAMINE,016751-59-0,38665,heptan-4-amine,CCCC(CCC)N,"InChI=1S/C7H17N/c1-3-5-7(8)6-4-2/h7H,3-6,8H2,1-2H3",CLJMMQGDJNYDER-UHFFFAOYSA-N,C7H17N,115.22,115.1360995,1.9,26,37,0,1,1,4,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"PROPANAMIDE, 3-(DIMETHYLAMINO)-N,N-DIMETHYL-",017268-47-2,62711,"3-(dimethylamino)-N,N-dimethylpropanamide",CN(C)CCC(=O)N(C)C,"InChI=1S/C7H16N2O/c1-8(2)6-5-7(10)9(3)4/h5-6H2,1-4H3",ZCJKJJQMCWSWGZ-UHFFFAOYSA-N,C7H16N2O,144.21,144.1262631,-0.3,23.6,110,0,0,2,3,10,,,0,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"SILANE, CHLORODIMETHYLPROPYL-",017477-29-1,87130,chloro-dimethyl-propylsilane,CCC[Si](C)(C)Cl,"InChI=1S/C5H13ClSi/c1-4-5-7(2,3)6/h4-5H2,1-3H3",HXVPUKPVLPTVCQ-UHFFFAOYSA-N,C5H13ClSi,136.69,136.0475046,,0,52,0,0,0,2,7,,,0,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,1,0,0,0
"PHOSPHONIUM, TETRABUTYL-, ACETATE, COMPD. WITH ACETIC ACID (1:1)",017786-43-5,87304,acetic acid;tetrabutylphosphanium;acetate,CCCC[P+](CCCC)(CCCC)CCCC.CC(=O)O.CC(=O)[O-],"InChI=1S/C16H36P.2C2H4O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*1-2(3)4/h5-16H2,1-4H3;2*1H3,(H,3,4)/q+1;;/p-1",BZPUUPVCWNNZKW-UHFFFAOYSA-M,C20H43O4P,378.5,378.2898969,,77.4,173,0,1,4,12,25,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"SILANE, TRIMETHYL(2-PROPENYLOXY)-",018146-00-4,87471,trimethyl(prop-2-enoxy)silane,C[Si](C)(C)OCC=C,"InChI=1S/C6H14OSi/c1-5-6-7-8(2,3)4/h5H,1,6H2,2-4H3",MNMVKGDEKPPREK-UHFFFAOYSA-N,C6H14OSi,130.26,130.0813916,,9.2,73,0,0,1,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"SILANAMINE, 1-CHLORO-N,N,1,1-TETRAMETHYL-",018209-60-4,87511,N-[chloro(dimethyl)silyl]-N-methylmethanamine,CN(C)[Si](C)(C)Cl,"InChI=1S/C4H12ClNSi/c1-6(2)7(3,4)5/h1-4H3",CFZHOUYDAHXRLY-UHFFFAOYSA-N,C4H12ClNSi,137.68,137.0427536,,3.2,62,0,0,1,1,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"SILANE, TRIETHENYLMETHYL-",018244-95-6,87525,tris(ethenyl)-methylsilane,C[Si](C=C)(C=C)C=C,"InChI=1S/C7H12Si/c1-5-8(4,6-2)7-3/h5-7H,1-3H2,4H3",PKRKCDBTXBGLKV-UHFFFAOYSA-N,C7H12Si,124.25,124.0708269,,0,91,0,0,0,3,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"SILANE, [[(CHLOROMETHYL)DIMETHYLSILYL]METHYL]TRIMETHYL-",018306-73-5,87574,chloromethyl-dimethyl-(trimethylsilylmethyl)silane,C[Si](C)(C)C[Si](C)(C)CCl,"InChI=1S/C7H19ClSi2/c1-9(2,3)7-10(4,5)6-8/h6-7H2,1-5H3",WBZTYASEAQTKBK-UHFFFAOYSA-N,C7H19ClSi2,194.85,194.0713814,,0,105,0,0,0,3,10,,,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1-HEXENE, 3,3,4,4,5,5,6,6,6-NONAFLUORO-",019430-93-4,88054,"3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene",C=CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C6H3F9/c1-2-3(7,8)4(9,10)5(11,12)6(13,14)15/h2H,1H2",GVEUEBXMTMZVSD-UHFFFAOYSA-N,C6H3F9,246.07,246.0091036,4,0,248,0,0,9,3,15,-17 °C c.c.,58 °C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,2-PROPANEDIAMINE, N2,N2-DIMETHYL-",019764-58-0,89217,"2-N,2-N-dimethylpropane-1,2-diamine",CC(CN)N(C)C,"InChI=1S/C5H14N2/c1-5(4-6)7(2)3/h5H,4,6H2,1-3H3",WNLWBCIUNCAMPH-UHFFFAOYSA-N,C5H14N2,102.18,102.1156985,-0.2,29.3,43,0,1,2,2,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"2-PROPANAMINE, N-ETHYL-",019961-27-4,88318,N-ethylpropan-2-amine,CCNC(C)C,"InChI=1S/C5H13N/c1-4-6-5(2)3/h5-6H,4H2,1-3H3",RIVIDPPYRINTTH-UHFFFAOYSA-N,C5H13N,87.16,87.10479942,0.9,12,25,0,1,1,2,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"1-PROPANAMINE, N-ETHYL-",020193-20-8,88398,N-ethylpropan-1-amine,CCCNCC,"InChI=1S/C5H13N/c1-3-5-6-4-2/h6H,3-5H2,1-2H3",XCVNDBIXFPGMIW-UHFFFAOYSA-N,C5H13N,87.16,87.10479942,1.1,12,19,0,1,1,3,6,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-BUTYNE, 3-CHLORO-",021020-24-6,30443,3-chlorobut-1-yne,CC(C#C)Cl,"InChI=1S/C4H5Cl/c1-3-4(2)5/h1,4H,2H3",PZFBULOUMNPBFA-UHFFFAOYSA-N,C4H5Cl,88.53,88.0079779,1.3,0,57,0,0,0,0,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1-OCTENE, 3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUORO-",025291-17-2,91384,"3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene",C=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C8H3F13/c1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h2H,1H2",FYQFWFHDPNXORA-UHFFFAOYSA-N,C8H3F13,346.09,346.0027162,5.3,0,401,0,0,13,5,21,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,1,1
"N,N-DIMETHYL-N-[3-(TRIMETHOXYSILYL)PROPYL]-1-OCTADECANAMINIUM, CHLORIDE",027668-52-6,62827,dimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium chloride,CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC.[Cl-],"InChI=1S/C26H58NO3Si.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(2,3)25-23-26-31(28-4,29-5)30-6;/h7-26H2,1-6H3;1H/q+1;/p-1",WSFMFXQNYPNYGG-UHFFFAOYSA-M,C26H58ClNO3Si,496.3,495.3874489,,27.7,367,0,0,4,24,32,15 °C,,1,1,1,1,0,1,1,1,1,0,0,0,0,0,0,0,1,0,0,0
"PROPANOIC ACID, 3-MERCAPTO-, ISOOCTYL ESTER",030374-01-7,104386,6-methylheptyl 3-sulfanylpropanoate,CC(C)CCCCCOC(=O)CCS,"InChI=1S/C11H22O2S/c1-10(2)6-4-3-5-8-13-11(12)7-9-14/h10,14H,3-9H2,1-2H3",ZHUWXKIPGGZNJW-UHFFFAOYSA-N,C11H22O2S,218.36,218.1340511,3.5,27.3,146,0,1,3,9,14,,,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0
"SILANE, BIS(1,1-DIMETHYLETHYL)-",030736-07-3,2758052,ditert-butylsilane,CC(C)(C)[SiH2]C(C)(C)C,"InChI=1S/C8H20Si/c1-7(2,3)9-8(4,5)6/h9H2,1-6H3",ZLKSBZCITVUTSN-UHFFFAOYSA-N,C8H20Si,144.33,144.1334272,,0,69,0,0,0,2,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1-BUTANOL, 2-METHYL-, FORMATE",035073-27-9,118210,2-methylbutyl formate,CCC(C)COC=O,"InChI=1S/C6H12O2/c1-3-6(2)4-8-5-7/h5-6H,3-4H2,1-2H3",DWORILFBIRYUDC-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,1.8,26.3,61,0,0,2,4,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
(T-4)-HYDROTRIS(1-METHYLPROPYL)BORATE(1-) LITHIUM,038721-52-7,23664288,,[Li+].[B-](C(C)CC)(C(C)CC)C(C)CC,"InChI=1S/C12H27B.Li/c1-7-10(4)13(11(5)8-2)12(6)9-3;/h10-12H,7-9H2,1-6H3;/q-1;+1",LXGCMJBNHPPNBQ-UHFFFAOYSA-N,C12H27BLi,189.1,189.2365845,,0,104,0,0,1,3,14,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-BUTANOL, 3,3,4,4,4-PENTAFLUORO-",054949-74-5,108644,"3,3,4,4,4-pentafluorobutan-1-ol",C(CO)C(C(F)(F)F)(F)F,"InChI=1S/C4H5F5O/c5-3(6,1-2-10)4(7,8)9/h10H,1-2H2",JPMHUDBOKDBBLG-UHFFFAOYSA-N,C4H5F5O,164.07,164.0260556,1.7,20.2,107,0,1,6,2,10,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-BUTANAMINE, 1-METHOXY-",063448-63-5,93837,1-methoxybutan-2-amine,CCC(COC)N,"InChI=1S/C5H13NO/c1-3-5(6)4-7-2/h5H,3-4,6H2,1-2H3",QAFODUGVXFNLBE-UHFFFAOYSA-N,C5H13NO,103.16,103.099714,0.1,35.3,39,0,1,2,3,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"HEXANOIC ACID, 2-ETHYL-, TETRAANHYDRIDE WITH SILICIC ACID (H4SIO4)",067939-81-5,106984,tris(2-ethylhexanoyloxy)silyl 2-ethylhexanoate,CCCCC(CC)C(=O)O[Si](OC(=O)C(CC)CCCC)(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC,"InChI=1S/C32H60O8Si/c1-9-17-21-25(13-5)29(33)37-41(38-30(34)26(14-6)22-18-10-2,39-31(35)27(15-7)23-19-11-3)40-32(36)28(16-8)24-20-12-4/h25-28H,9-24H2,1-8H3",UNKOLEUDCQIVBV-UHFFFAOYSA-N,C32H60O8Si,600.9,600.4057454,,105,630,0,0,8,28,41,,,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0
METHYLMAGNESIUM BROMIDE,000075-16-1,6349,magnesium;carbanide;bromide,[CH3-].[Mg+2].[Br-],InChI=1S/CH3.BrH.Mg/h1H3;1H;/q-1;;+2/p-1,NXPHGHWWQRMDIA-UHFFFAOYSA-M,CH3BrMg,119.24,117.92685,,0,4,0,0,2,0,3,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
DI(ETHYLMETHYLKETOXIME)METHOXYMETHYLSILANE,083817-72-5,91844531,(E)-N-[[(Z)-butan-2-ylideneamino]oxy-methoxy-methylsilyl]oxybutan-2-imine,CC/C(=N/O[Si](C)(OC)O/N=C(/C)\CC)/C,"InChI=1S/C10H22N2O3Si/c1-7-9(3)11-14-16(6,13-5)15-12-10(4)8-2/h7-8H2,1-6H3/b11-9-,12-10+",WBUXMJIQDHBCAY-DSOJMZEYSA-N,C10H22N2O3Si,246.38,246.1399691,,52.4,245,0,0,5,7,16,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,0
ALLYLMAGNESIUM BROMIDE,001730-25-2,74413,magnesium;prop-1-ene;bromide,[CH2-]C=C.[Mg+2].[Br-],"InChI=1S/C3H5.BrH.Mg/c1-3-2;;/h3H,1-2H2;1H;/q-1;;+2/p-1",DQEUYIQDSMINEY-UHFFFAOYSA-M,C3H5BrMg,145.28,143.9425,,0,14,0,0,2,0,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
(TRIMETHYLSILYL)DIAZOMETHANE,018107-18-1,167693,diazomethyl(trimethyl)silane,C[Si](C)(C)C=[N+]=[N-],"InChI=1S/C4H10N2Si/c1-7(2,3)4-6-5/h4H,1-3H3",ONDSBJMLAHVLMI-UHFFFAOYSA-N,C4H10N2Si,114.22,114.0613249,,2,96,0,0,1,1,7,,96 °C at 775 mm Hg,0,0,1,0,0,1,1,0,1,0,0,0,0,0,0,0,1,0,1,1
TRIMETHLYLSILYLMETHYL(LITHIUM),001822-00-0,3482579,lithium methanidyl(trimethyl)silane,[Li+].C[Si](C)(C)[CH2-],"InChI=1S/C4H11Si.Li/c1-5(2,3)4;/h1H2,2-4H3;/q-1;+1",KVWLUDFGXDFFON-UHFFFAOYSA-N,C4H11LiSi,94.2,94.07900532,,0,29,0,0,1,0,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
DIISOBUTYL ETHER (COALESCING SOLVENT),000628-55-7,12346,2-methyl-1-(2-methylpropoxy)propane,CC(C)COCC(C)C,"InChI=1S/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3",SZNYYWIUQFZLLT-UHFFFAOYSA-N,C8H18O,130.23,130.1357652,2.8,9.2,49,0,0,1,4,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"N,N',N""-TRIBUTYL-1-METHYLSILANETRIAMINE",016411-33-9,85403,N-[bis(butylamino)-methylsilyl]butan-1-amine,CCCCN[Si](C)(NCCCC)NCCCC,"InChI=1S/C13H33N3Si/c1-5-8-11-14-17(4,15-12-9-6-2)16-13-10-7-3/h14-16H,5-13H2,1-4H3",GJQSLHYMHWQOQY-UHFFFAOYSA-N,C13H33N3Si,259.51,259.2443746,,36.1,138,0,3,3,12,17,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
tert-Butylmagnesium Chloride,000677-22-5,2724198,magnesium;2-methylpropane;chloride,C[C-](C)C.[Mg+2].[Cl-],InChI=1S/C4H9.ClH.Mg/c1-4(2)3;;/h1-3H3;1H;/q-1;;+2/p-1,CQRPUKWAZPZXTO-UHFFFAOYSA-M,C4H9ClMg,116.87,116.0243197,,0,12,0,0,2,0,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
BROMOETHYNYLMAGNESIUM,004301-14-8,4071243,magnesium;ethyne;bromide,C#[C-].[Mg+2].[Br-],InChI=1S/C2H.BrH.Mg/c1-2;;/h1H;1H;/q-1;;+2/p-1,LROBJRRFCPYLIT-UHFFFAOYSA-M,C2HBrMg,129.24,127.9112,,0,14,0,0,2,0,4,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"2-PROPANOL, DYSPROSIUM(3+) SALT",006742-68-3,13033546,dysprosium(3+);tris(propan-2-olate),CC(C)[O-].CC(C)[O-].CC(C)[O-].[Dy+3],"InChI=1S/3C3H7O.Dy/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3",XPEKDHWAGKXPST-UHFFFAOYSA-N,C9H21DyO3,339.76,341.07825,,69.2,10,0,0,3,0,13,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,1,1
C7-10-ISOALKANES,090622-56-3,11511,"2,4-dimethylhexane",CCC(C)CC(C)C,"InChI=1S/C8H18/c1-5-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3",HDGQICNBXPAKLR-UHFFFAOYSA-N,C8H18,114.23,114.1408506,4,0,46,0,0,0,3,8,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
DILITHIUM TETRACHLOROCUPRATE,015489-27-7,11074879,dilithium;tetrachlorocopper(2-),[Li+].[Li+].Cl[Cu-2](Cl)(Cl)Cl,InChI=1S/4ClH.Cu.2Li/h4*1H;;;/q;;;;+2;2*+1/p-4,HCJWWBBBSCXJMS-UHFFFAOYSA-J,Cl4CuLi2,219.3,218.834065,,0,19,0,0,1,0,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
2-METHYLHEPTANE,000592-27-8,11594,2-methylheptane,CCCCCC(C)C,"InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3",JVSWJIKNEAIKJW-UHFFFAOYSA-N,C8H18,114.23,114.1408506,4.3,0,37,0,0,0,4,8,4.4 °C,116 °C,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
"2,2,3-TRIMETHYLPENTANE",000564-02-3,11255,"2,2,3-trimethylpentane",CCC(C)C(C)(C)C,"InChI=1S/C8H18/c1-6-7(2)8(3,4)5/h7H,6H2,1-5H3",XTDQDBVBDLYELW-UHFFFAOYSA-N,C8H18,114.23,114.1408506,3.8,0,56,0,0,0,2,8,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
3-ETHYLPENTANE,000617-78-7,12048,3-ethylpentane,CCC(CC)CC,"InChI=1S/C7H16/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3",AORMDLNPRGXHHL-UHFFFAOYSA-N,C7H16,100.2,100.1252005,3.7,0,21,0,0,0,3,7,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
"2,2-DIMETHYLHEXANE",000590-73-8,11551,"2,2-dimethylhexane",CCCCC(C)(C)C,"InChI=1S/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H3",FLTJDUOFAQWHDF-UHFFFAOYSA-N,C8H18,114.23,114.1408506,4.1,0,47,0,0,0,3,8,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
"2,3-DIMETHYLHEXANE",000584-94-1,11447,"2,3-dimethylhexane",CCCC(C)C(C)C,"InChI=1S/C8H18/c1-5-6-8(4)7(2)3/h7-8H,5-6H2,1-4H3",JXPOLSKBTUYKJB-UHFFFAOYSA-N,C8H18,114.23,114.1408506,4,0,46,0,0,0,3,8,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
BROMO(1-METHYLETHYL)MAGNESIUM,000920-39-8,101909,magnesium;propane;bromide,C[CH-]C.[Mg+2].[Br-],"InChI=1S/C3H7.BrH.Mg/c1-3-2;;/h3H,1-2H3;1H;/q-1;;+2/p-1",LVKCSZQWLOVUGB-UHFFFAOYSA-M,C3H7BrMg,147.3,145.95815,,0,6,0,0,2,0,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
MOLYBDENUM(V) ISOPROPOXIDE,209733-38-0,18475294,molybdenum;pentakis(propan-2-olate),CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Mo],"InChI=1S/5C3H7O.Mo/c5*1-3(2)4;/h5*3H,1-2H3;/q5*-1;",WMGOKFNZAFRBMJ-UHFFFAOYSA-N,C15H35MoO5-5,391.4,393.153853,,115,10,-5,0,5,0,21,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
MOLYBDENUM(V) TRICHLORIDE-ISOPROPOXIDE,053780-81-7,121233634,bis(propan-2-ol);trichloromolybdenum,CC(C)O.CC(C)O.Cl[Mo](Cl)Cl,"InChI=1S/2C3H8O.3ClH.Mo/c2*1-3(2)4;;;;/h2*3-4H,1-2H3;3*1H;/q;;;;;+3/p-3",JVWWBSIISOXHDE-UHFFFAOYSA-K,C6H16Cl3MoO2,322.5,322.926991,,40.5,63,0,2,2,0,12,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"3,3-DIMETHYLHEXANE",000563-16-6,11233,"3,3-dimethylhexane",CCCC(C)(C)CC,"InChI=1S/C8H18/c1-5-7-8(3,4)6-2/h5-7H2,1-4H3",KUMXLFIBWFCMOJ-UHFFFAOYSA-N,C8H18,114.23,114.1408506,4.1,0,53,0,0,0,3,8,,111.90 °C. @ 760.00 mm Hg,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
LITHIUM NIOBIUM ETHOXIDE,086745-52-0,14693679,lithium;ethanolate;niobium(5+),[Li+].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[Nb+5],"InChI=1S/6C2H5O.Li.Nb/c6*1-2-3;;/h6*2H2,1H3;;/q6*-1;+1;+5",AVEKRHJBCCYCED-UHFFFAOYSA-N,C12H30LiNbO6,370.2,370.12662,,138,2,0,0,6,0,20,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"3-Hexene, 3-(p-methoxybenzyl)-4-(p-methoxyphenyl)-, mixed with 4-(p-methoxyben",,11601,hex-3-ene,CCC=CCC,"InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3",ZQDPJFUHLCOCRG-UHFFFAOYSA-N,C6H12,84.16,84.09390038,2.5,0,29,0,0,0,2,6,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,2-DICHLOROETHANE",000107-06-2,11,"1,2-dichloroethane",C(CCl)Cl,InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2,WSLDOOZREJYCGB-UHFFFAOYSA-N,C2H4Cl2,98.96,97.9690055,1.5,0,6,0,0,0,1,4,"56 °F (NTP, 1992)","182.3 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,1,0,1,1,0,0,0,0,0,0,0,1,0,0,1
CARBON DISULFIDE,000075-15-0,6348,methanedithione,C(=S)=S,InChI=1S/CS2/c2-1-3,QGJOPFRUJISHPQ-UHFFFAOYSA-N,CS2,76.15,75.94414235,2.1,64.2,18,0,0,2,0,3,"-22 °F (EPA, 1998)","116 °F at 760 mmHg (EPA, 1998)",0,0,0,0,0,0,0,1,1,0,0,0,0,1,0,0,1,0,1,0
PENTANE,000109-66-0,8003,pentane,CCCCC,"InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3",OFBQJSOFQDEBGM-UHFFFAOYSA-N,C5H12,72.15,72.09390038,3.4,0,7,0,0,0,2,5,"-57 °F (NTP, 1992)","97 °F at 760 mmHg (NTP, 1992)",0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,1
2-CHLOROPROPANE,000075-29-6,6361,2-chloropropane,CC(C)Cl,"InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3",ULYZAYCEDJDHCC-UHFFFAOYSA-N,C3H7Cl,78.54,78.0236279,1.6,0,10,0,0,0,0,4,"-26 °F (NTP, 1992)","96.33 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
PROPYL CHLOROFORMATE,000109-61-5,7998,propyl carbonochloridate,CCCOC(=O)Cl,"InChI=1S/C4H7ClO2/c1-2-3-7-4(5)6/h2-3H2,1H3",QQKDTTWZXHEGAQ-UHFFFAOYSA-N,C4H7ClO2,122.55,122.0134572,2.3,26.3,62,0,0,2,3,7,"-58 °F (EPA, 1998)","237 to 241 °F at 760 mmHg (EPA, 1998)",0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"HEXANETHIOIC ACID, S-METHYL ESTER",002432-77-1,75515,S-methyl hexanethioate,CCCCCC(=O)SC,"InChI=1S/C7H14OS/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3",AKGAHYLJHAOPKQ-UHFFFAOYSA-N,C7H14OS,146.25,146.0765362,2.6,42.4,81,0,0,2,5,9,,120.00 to 122.00 °C. @ 0.00 mm Hg,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"N,N-DIMETHYLETHYLAMINE",000598-56-1,11723,"N,N-dimethylethanamine",CCN(C)C,"InChI=1S/C4H11N/c1-4-5(2)3/h4H2,1-3H3",DAZXVJBJRMWXJP-UHFFFAOYSA-N,C4H11N,73.14,73.08914936,0.7,3.2,17,0,0,1,1,5,10 °F,36.5 °C,0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
ETHYLENE GLYCOL DIMETHYL ETHER,000110-71-4,8071,"1,2-dimethoxyethane",COCCOC,"InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3",XTHFKEDIFFGKHM-UHFFFAOYSA-N,C4H10O2,90.12,90.06807956,-0.2,18.5,17,0,0,2,3,6,"32 °F (NTP, 1992)","185 °F at 760 mmHg (NTP, 1992)",0,0,1,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0
2-METHYLPENTANE,000107-83-5,7892,2-methylpentane,CCCC(C)C,"InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3",AFABGHUZZDYHJO-UHFFFAOYSA-N,C6H14,86.18,86.10955045,3.2,0,21,0,0,0,2,6,"-20 °F (USCG, 1999)","140.5 °F at 760 mmHg (USCG, 1999)",0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
VALERALDEHYDE,000110-62-3,8063,pentanal,CCCCC=O,"InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3",HGBOYTHUEUWSSQ-UHFFFAOYSA-N,C5H10O,86.13,86.07316494,1.1,17.1,32,0,0,1,3,6,"53.6 °F (NTP, 1992)","216 to 217 °F at 760 mmHg (NTP, 1992)",0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,1
ISOAMYL NITRITE,000110-46-3,8053,3-methylbutyl nitrite,CC(C)CCON=O,"InChI=1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3",OWFXIOWLTKNBAP-UHFFFAOYSA-N,C5H11NO2,117.15,117.0789786,1.7,38.7,63,0,0,3,3,8,"less than 69 °F (NTP, 1992)","205 to 210 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
1-PROPANETHIOL,000107-03-9,7848,propane-1-thiol,CCCS,"InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3",SUVIGLJNEAMWEG-UHFFFAOYSA-N,C3H8S,76.16,76.03467143,1.8,1,7,0,1,1,1,4,"5 °F (USCG, 1999)","153 °F at 760 mmHg (USCG, 1999)",0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
METHYL DISULFIDE,000624-92-0,12232,(methyldisulfanyl)methane,CSSC,InChI=1S/C2H6S2/c1-3-4-2/h1-2H3,WQOXQRCZOLPYPM-UHFFFAOYSA-N,C2H6S2,94.2,93.99109254,1.8,50.6,6,0,0,2,1,4,"76 °F (NTP, 1992)","229.5 °F at 760 mmHg (NTP, 1992)",1,0,1,1,0,0,1,1,1,0,0,0,0,0,0,0,0,1,0,1
ISOPROPYL ALCOHOL,000067-63-0,3776,propan-2-ol,CC(C)O,"InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3",KFZMGEQAYNKOFK-UHFFFAOYSA-N,C3H8O,60.1,60.05751487,0.3,20.2,10,0,1,1,0,4,"53 °F (NTP, 1992)","180.5 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
"NITROUS ACID, 1-METHYLETHYL ESTER",000541-42-4,10929,propan-2-yl nitrite,CC(C)ON=O,"InChI=1S/C3H7NO2/c1-3(2)6-4-5/h3H,1-2H3",SKRDXYBATCVEMS-UHFFFAOYSA-N,C3H7NO2,89.09,89.04767847,0.8,38.7,44,0,0,3,1,6,,,0,1,1,1,0,0,0,1,1,0,1,0,0,0,0,0,1,1,0,1
TERT-BUTYL PEROXIDE,000110-05-4,8033,2-tert-butylperoxy-2-methylpropane,CC(C)(C)OOC(C)(C)C,"InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3",LSXWFXONGKSEMY-UHFFFAOYSA-N,C8H18O2,146.23,146.1306798,2.1,18.5,80,0,0,2,3,10,"65 °F (NTP, 1992)","232 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,1,0,1,0,1,0,0,1,0,0,0,0
METHYL ISOBUTYL KETONE,000108-10-1,7909,4-methylpentan-2-one,CC(C)CC(=O)C,"InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3",NTIZESTWPVYFNL-UHFFFAOYSA-N,C6H12O,100.16,100.088815,1.3,17.1,64,0,0,1,2,7,"73 °F (NTP, 1992)","243 to 244 °F at 760 mmHg (NTP, 1992)",0,0,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1
"1,2-DICHLOROPROPANE",000078-87-5,6564,"1,2-dichloropropane",CC(CCl)Cl,"InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3",KNKRKFALVUDBJE-UHFFFAOYSA-N,C3H6Cl2,112.98,111.9846556,1.8,0,20,0,0,0,1,5,"60 °F (NTP, 1992)","203 to 205 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0
VINYL ACETATE,000108-05-4,7904,ethenyl acetate,CC(=O)OC=C,"InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3",XTXRWKRVRITETP-UHFFFAOYSA-N,C4H6O2,86.09,86.03677943,0.7,26.3,65,0,0,2,2,6,"18 °F (EPA, 1998)","162 to 163 °F at 760 mmHg (EPA, 1998)",0,0,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1
N-BUTYRALDEHYDE,000123-72-8,261,butanal,CCCC=O,"InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3",ZTQSAGDEMFDKMZ-UHFFFAOYSA-N,C4H8O,72.11,72.05751487,0.9,17.1,24,0,0,1,2,5,"20 °F (NTP, 1992)","167 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
DIMETHYLVINYL CHLORIDE,000513-37-1,10555,1-chloro-2-methylprop-1-ene,CC(=CCl)C,"InChI=1S/C4H7Cl/c1-4(2)3-5/h3H,1-2H3",KWISWUFGPUHDRY-UHFFFAOYSA-N,C4H7Cl,90.55,90.0236279,2.3,0,41,0,0,0,0,5,"30 °F (NTP, 1992)","154 °F at 760 mmHg (NTP, 1992)",0,1,1,0,0,1,0,1,1,0,0,0,0,0,0,0,1,0,0,1
METHANOL,000067-56-1,887,methanol,CO,"InChI=1S/CH4O/c1-2/h2H,1H3",OKKJLVBELUTLKV-UHFFFAOYSA-N,CH4O,32.042,32.02621475,-0.5,20.2,2,0,1,1,0,2,"52 °F (NTP, 1992)","148.3 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
DIMETHYL CARBONATE,000616-38-6,12021,dimethyl carbonate,COC(=O)OC,InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3,IEJIGPNLZYLLBP-UHFFFAOYSA-N,C3H6O3,90.08,90.03169405,0.5,35.5,44,0,0,3,2,6,"31 °F (NFPA, 2010)",90.5 °C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2,4,4-TRIMETHYL-1-PENTENE",000107-39-1,7868,"2,4,4-trimethylpent-1-ene",CC(=C)CC(C)(C)C,"InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3",FXNDIJDIPNCZQJ-UHFFFAOYSA-N,C8H16,112.21,112.1252005,3.7,0,82,0,0,0,2,8,-5 °C,101.4 °C,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
ACRYLONITRILE,000107-13-1,7855,prop-2-enenitrile,C=CC#N,"InChI=1S/C3H3N/c1-2-3-4/h2H,1H2",NLHHRLWOUZZQLW-UHFFFAOYSA-N,C3H3N,53.06,53.0265491,0.2,23.8,54,0,0,1,0,4,"32 °F (EPA, 1998)","171 °F at 760 mmHg (EPA, 1998)",0,1,1,1,0,1,1,1,1,0,0,0,0,0,0,0,1,1,0,1
ETHYL ACRYLATE,000140-88-5,8821,ethyl prop-2-enoate,CCOC(=O)C=C,"InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3",JIGUQPWFLRLWPJ-UHFFFAOYSA-N,C5H8O2,100.12,100.0524295,1.3,26.3,76,0,0,2,3,7,"48 °F (NTP, 1992)","211.6 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,1
ISOPROPYL ETHER,000108-20-3,7914,2-propan-2-yloxypropane,CC(C)OC(C)C,"InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3",ZAFNJMIOTHYJRJ-UHFFFAOYSA-N,C6H14O,102.17,102.1044651,1.5,9.2,33,0,0,1,2,7,"-18 °F (USCG, 1999)","156 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
TERT-BUTYLAMINE,000075-64-9,6385,2-methylpropan-2-amine,CC(C)(C)N,"InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3",YBRBMKDOPFTVDT-UHFFFAOYSA-N,C4H11N,73.14,73.08914936,0.3,26,25,0,1,1,0,5,"50 °F (NTP, 1992)","111.9 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
METHYLACRYLONITRILE,000126-98-7,31368,2-methylprop-2-enenitrile,CC(=C)C#N,"InChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3",GYCMBHHDWRMZGG-UHFFFAOYSA-N,C4H5N,67.09,67.04219916,0.7,23.8,83,0,0,1,0,5,"55 °F (EPA, 1998)","194 °F at 760 mmHg (EPA, 1998)",0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0
ETHYLENEDIAMINE,000107-15-3,3301,"ethane-1,2-diamine",C(CN)N,InChI=1S/C2H8N2/c3-1-2-4/h1-4H2,PIICEJLVQHRZGT-UHFFFAOYSA-N,C2H8N2,60.1,60.06874826,-2,52,6,0,2,2,1,4,"93 °F (EPA, 1998)","241 °F at 760 mmHg (EPA, 1998)",0,1,0,1,0,0,0,0,1,0,0,0,0,0,1,0,1,1,0,0
ETHYLENE GLYCOL MONOETHYL ETHER,000110-80-5,8076,2-ethoxyethanol,CCOCCO,"InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3",ZNQVEEAIQZEUHB-UHFFFAOYSA-N,C4H10O2,90.12,90.06807956,-0.3,29.5,21,0,1,2,3,6,"105 °F (NTP, 1992)","275 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0
2-ETHOXYETHYL ACETATE,000111-15-9,8095,2-ethoxyethyl acetate,CCOCCOC(=O)C,"InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3",SVONRAPFKPVNKG-UHFFFAOYSA-N,C6H12O3,132.16,132.0786442,0.3,35.5,80,0,0,3,5,9,"135 °F (NTP, 1992)","313 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0
ETHYL IODIDE,000075-03-6,6340,iodoethane,CCI,"InChI=1S/C2H5I/c1-2-3/h2H2,1H3",HVTICUPFWKNHNG-UHFFFAOYSA-N,C2H5I,155.97,155.9436,2.1,0,2,0,0,0,0,3,61 °C c.c.,72 °C,0,0,1,1,0,0,0,1,1,0,1,0,0,0,1,0,1,1,0,1
"1,3-DIBROMO-2-PROPANOL",000096-21-9,7287,"1,3-dibromopropan-2-ol",C(C(CBr)O)Br,"InChI=1S/C3H6Br2O/c4-1-3(6)2-5/h3,6H,1-2H2",KIHQZLPHVZKELA-UHFFFAOYSA-N,C3H6Br2O,217.89,217.87649,1.1,20.2,28,0,1,1,2,6,,,0,0,0,1,0,1,0,1,1,0,0,0,0,0,0,0,1,0,0,1
N-VALERONITRILE,000110-59-8,8061,pentanenitrile,CCCCC#N,"InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3",RFFFKMOABOFIDF-UHFFFAOYSA-N,C5H9N,83.13,83.07349929,1.1,23.8,57,0,0,1,2,6,"105 °F (NTP, 1992)","282 to 286 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
ETHYLENE GLYCOL MONOMETHYL ETHER,000109-86-4,8019,2-methoxyethanol,COCCO,"InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3",XNWFRZJHXBZDAG-UHFFFAOYSA-N,C3H8O2,76.09,76.05242949,-0.8,29.5,14,0,1,2,2,5,"107 °F (NTP, 1992)","257 °F at 768 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0
"1,3-DICHLOROPROPENE",000542-75-6,24883,"1,3-dichloroprop-1-ene",C(C=CCl)Cl,"InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2",UOORRWUZONOOLO-UHFFFAOYSA-N,C3H4Cl2,110.97,109.9690055,1.7,0,31,0,0,0,1,5,"95 °F (NTP, 1992)","219 °F at 760 mmHg (NTP, 1992)",1,1,1,1,1,0,1,1,1,0,0,0,0,0,0,0,1,1,0,1
DIETHYLAMINOETHANOL,000100-37-8,7497,2-(diethylamino)ethanol,CCN(CC)CCO,"InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3",BFSVOASYOCHEOV-UHFFFAOYSA-N,C6H15NO,117.19,117.1153641,0.3,23.5,43,0,1,2,4,8,"140 °F (NTP, 1992)","325 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
HYDRAZINE,000302-01-2,9321,hydrazine,NN,InChI=1S/H4N2/c1-2/h1-2H2,OAKJQQAXSVQMHS-UHFFFAOYSA-N,H4N2,32.046,32.03744814,-1.5,52,0,0,2,2,0,2,"125.6 °F (EPA, 1998)","236.3 °F at 760 mmHg (EPA, 1998)",1,1,1,1,0,1,1,0,1,0,0,0,0,0,0,0,1,1,0,0
2-NITROPROPANE,000079-46-9,398,2-nitropropane,CC(C)[N+](=O)[O-],"InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3",FGLBSLMDCBOPQK-UHFFFAOYSA-N,C3H7NO2,89.09,89.04767847,0.8,45.8,54,0,0,2,0,6,"75 °F (NTP, 1992)","248.5 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0
NONANE,000111-84-2,8141,nonane,CCCCCCCCC,"InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3",BKIMMITUMNQMOS-UHFFFAOYSA-N,C9H20,128.25,128.1565006,4.5,0,33,0,0,0,6,9,"88 °F (NTP, 1992)","303.4 °F at 760 mmHg (NTP, 1992)",1,0,1,0,1,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
PROPYLENEDIAMINE,000078-90-0,6567,"propane-1,2-diamine",CC(CN)N,"InChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3",AOHJOMMDDJHIJH-UHFFFAOYSA-N,C3H10N2,74.13,74.08439833,-1.2,52,20,0,2,2,1,5,"92 °F (NFPA, 2010)","248.9 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
1-BROMO-3-CHLOROPROPANE,000109-70-6,8006,1-bromo-3-chloropropane,C(CCl)CBr,InChI=1S/C3H6BrCl/c4-2-1-3-5/h1-3H2,MFESCIUQSIBMSM-UHFFFAOYSA-N,C3H6BrCl,157.44,155.93414,1.9,0,16,0,0,0,2,5,57 °C,143.3 °C @ 760 MM HG,0,0,1,1,0,0,1,1,1,0,1,0,0,0,0,0,1,0,0,1
1-DIMETHYLAMINO-2-PROPANOL,000108-16-7,37511,1-(dimethylamino)propan-2-ol,CC(CN(C)C)O,"InChI=1S/C5H13NO/c1-5(7)4-6(2)3/h5,7H,4H2,1-3H3",NCXUNZWLEYGQAH-UHFFFAOYSA-N,C5H13NO,103.16,103.099714,0,23.5,45,0,1,2,2,7,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"2,2,2-TRIFLUOROETHANOL",000075-89-8,6409,"2,2,2-trifluoroethanol",C(C(F)(F)F)O,"InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2",RHQDFWAXVIIEBN-UHFFFAOYSA-N,C2H3F3O,100.04,100.0135992,0.4,20.2,38,0,1,4,0,6,,,0,1,1,1,0,0,0,1,1,0,0,0,0,1,0,0,1,0,1,1
3-METHOXYPROPYLAMINE,005332-73-0,1672,3-methoxypropan-1-amine,COCCCN,"InChI=1S/C4H11NO/c1-6-4-2-3-5/h2-5H2,1H3",FAXDZWQIWUSWJH-UHFFFAOYSA-N,C4H11NO,89.14,89.08406397,-0.5,35.3,23,0,1,2,3,6,,,0,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,0
METHYLPENTYNOL,000077-75-8,6494,3-methylpent-1-yn-3-ol,CCC(C)(C#C)O,"InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3",QXLPXWSKPNOQLE-UHFFFAOYSA-N,C6H10O,98.14,98.07316494,0.8,20.2,98,0,1,1,2,7,,,0,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0
N-HEXYLAMINE,000111-26-2,8102,hexan-1-amine,CCCCCCN,"InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3",BMVXCPBXGZKUPN-UHFFFAOYSA-N,C6H15N,101.19,101.1204495,2.1,26,27,0,1,1,4,7,"85 °F (NFPA, 2010)",132 °C,0,1,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
TRIALLYLAMINE,000102-70-5,7617,"N,N-bis(prop-2-enyl)prop-2-en-1-amine",C=CCN(CC=C)CC=C,"InChI=1S/C9H15N/c1-4-7-10(8-5-2)9-6-3/h4-6H,1-3,7-9H2",VPYJNCGUESNPMV-UHFFFAOYSA-N,C9H15N,137.22,137.1204495,2.6,3.2,92,0,0,1,6,10,"103 °F (NTP, 1992)","311 to 313 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
2-METHYL-1-PENTANOL,000105-30-6,7745,2-methylpentan-1-ol,CCCC(C)CO,"InChI=1S/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3",PFNHSEQQEPMLNI-UHFFFAOYSA-N,C6H14O,102.17,102.1044651,1.8,20.2,35,0,1,1,3,7,54 °C,148 °C @ 760 MM HG,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TRIBUTYLTIN HYDRIDE,000688-73-3,5948,tributylstannane,CCCC[SnH](CCCC)CCCC,"InChI=1S/3C4H9.Sn.H/c3*1-3-4-2;;/h3*1,3-4H2,2H3;;",DBGVGMSCBYYSLD-UHFFFAOYSA-N,C12H28Sn,291.06,292.121303,,0,72,0,0,0,9,13,,112.5-113.5 @ 8 mm Hg,1,1,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,1,0
METHYL OXALYL CHLORIDE,005781-53-3,79846,methyl 2-chloro-2-oxoacetate,COC(=O)C(=O)Cl,InChI=1S/C3H3ClO3/c1-7-3(6)2(4)5/h1H3,ZXUQEPZWVQIOJE-UHFFFAOYSA-N,C3H3ClO3,122.51,121.9770716,1.1,43.4,98,0,0,3,2,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
TITANIUM(IV) ISOPROPOXIDE,000546-68-9,11026,tetrakis(propan-2-olate);titanium(4+),CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4],"InChI=1S/4C3H7O.Ti/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4",VXUYXOFXAQZZMF-UHFFFAOYSA-N,C12H28O4Ti,284.22,284.1467,,92.2,10,0,0,4,0,17,,220 °C @ 760 mm Hg,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
HEXAMETHYLDITIN,000661-69-8,6327618,,C[Sn](C)C.C[Sn](C)C,InChI=1S/6CH3.2Sn/h6*1H3;;,CCRMAATUKBYMPA-UHFFFAOYSA-N,C6H18Sn2,327.63,327.94466,,0,22,0,0,0,0,8,,,1,1,1,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
PUTRESCINE,000110-60-1,1045,"butane-1,4-diamine",C(CCN)CN,InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2,KIDHWZJUCRJVML-UHFFFAOYSA-N,C4H12N2,88.15,88.10004839,-0.9,52,17,0,2,2,3,6,,158.5 °C,0,1,1,1,0,0,1,1,1,0,0,1,0,0,0,0,1,0,0,0
BIS(TRIMETHYLSILYL)ACETAMIDE,010416-59-8,6913588,trimethylsilyl (1E)-N-trimethylsilylethanimidate,C/C(=N\[Si](C)(C)C)/O[Si](C)(C)C,"InChI=1S/C8H21NOSi2/c1-8(9-11(2,3)4)10-12(5,6)7/h1-7H3/b9-8+",SIOVKLKJSOKLIF-CMDGGOBGSA-N,C8H21NOSi2,203.43,203.1161674,,21.6,176,0,0,2,3,12,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"N,N,N',N'-TETRAMETHYL-1,4-BUTANEDIAMINE",000111-51-3,66074,"N,N,N',N'-tetramethylbutane-1,4-diamine",CN(C)CCCCN(C)C,"InChI=1S/C8H20N2/c1-9(2)7-5-6-8-10(3)4/h5-8H2,1-4H3",VEAZEPMQWHPHAG-UHFFFAOYSA-N,C8H20N2,144.26,144.1626486,1,6.5,59,0,0,2,5,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
1-NONENE,000124-11-8,31285,non-1-ene,CCCCCCCC=C,"InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3",JRZJOMJEPLMPRA-UHFFFAOYSA-N,C9H18,126.24,126.1408506,5.2,0,55,0,0,0,6,9,"78 °F (USCG, 1999)","297 °F at 760 mmHg (USCG, 1999)",0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
HEXAMETHYLPHOSPHOROUS TRIAMIDE,001608-26-0,15355,N-[bis(dimethylamino)phosphanyl]-N-methylmethanamine,CN(C)P(N(C)C)N(C)C,InChI=1S/C6H18N3P/c1-7(2)10(8(3)4)9(5)6/h1-6H3,XVDBWWRIXBMVJV-UHFFFAOYSA-N,C6H18N3P,163.2,163.1238346,0.6,9.7,74,0,0,3,3,10,,,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0
ISOBUTYL CHLOROFORMATE,000543-27-1,62365,2-methylpropyl carbonochloridate,CC(C)COC(=O)Cl,"InChI=1S/C5H9ClO2/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3",YOETUEMZNOLGDB-UHFFFAOYSA-N,C5H9ClO2,136.58,136.0291072,2.8,26.3,80,0,0,2,3,8,27 °C c.c.,129 °C,0,0,1,1,0,0,0,1,1,0,0,1,0,0,0,0,1,0,0,1
NEOPENTYL ALCOHOL,000075-84-3,6404,"2,2-dimethylpropan-1-ol",CC(C)(C)CO,"InChI=1S/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3",KPSSIOMAKSHJJG-UHFFFAOYSA-N,C5H12O,88.15,88.088815,1.3,20.2,33,0,1,1,1,6,98 °F (37 °C) (CLOSED CUP),114 °C,0,0,1,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,1
TRIETHOXYCHLOROSILANE,004667-99-6,78398,chloro(triethoxy)silane,CCO[Si](OCC)(OCC)Cl,"InChI=1S/C6H15ClO3Si/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3",JEZFASCUIZYYEV-UHFFFAOYSA-N,C6H15ClO3Si,198.72,198.0478986,,27.7,84,0,0,3,6,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
DIMETHYL PYROCARBONATE,004525-33-1,3086,methoxycarbonyl methyl carbonate,COC(=O)OC(=O)OC,InChI=1S/C4H6O5/c1-7-3(5)9-4(6)8-2/h1-2H3,GZDFHIJNHHMENY-UHFFFAOYSA-N,C4H6O5,134.09,134.0215233,0.7,61.8,104,0,0,5,4,9,,BP: 44-47 °C at 5 mm Hg,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
TRANS-2-HEPTENAL,018829-55-5,5283316,(E)-hept-2-enal,CCCC/C=C/C=O,"InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+",NDFKTBCGKNOHPJ-AATRIKPKSA-N,C7H12O,112.17,112.088815,2.1,17.1,74,0,0,1,4,8,,90.00 to 91.00 °C. @ 50.00 mm Hg,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0
3-CHLORO-2-CHLOROMETHYL-1-PROPENE,001871-57-4,15859,3-chloro-2-(chloromethyl)prop-1-ene,C=C(CCl)CCl,InChI=1S/C4H6Cl2/c1-4(2-5)3-6/h1-3H2,XJFZOSUFGSANIF-UHFFFAOYSA-N,C4H6Cl2,124.99,123.9846556,2.1,0,43,0,0,0,2,6,,,1,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
(+/-)-2-BROMOPROPIONYL CHLORIDE,007148-74-5,97980,2-bromopropanoyl chloride,CC(C(=O)Cl)Br,"InChI=1S/C3H4BrClO/c1-2(4)3(5)6/h2H,1H3",OZGMODDEIHYPRY-UHFFFAOYSA-N,C3H4BrClO,171.42,169.91341,2,17.1,63,0,0,1,1,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
OCTYLAMINE,000111-86-4,8143,octan-1-amine,CCCCCCCCN,"InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3",IOQPZZOEVPZRBK-UHFFFAOYSA-N,C8H19N,129.24,129.1517496,3.1,26,43,0,1,1,6,9,,,1,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
2-FLUOROETHANOL,000371-62-0,9737,2-fluoroethanol,C(CF)O,"InChI=1S/C2H5FO/c3-1-2-4/h4H,1-2H2",GGDYAKVUZMZKRV-UHFFFAOYSA-N,C2H5FO,64.06,64.03244294,-0.8,20.2,10,0,1,2,1,4,"87.8 °F (EPA, 1998)","218.3 °F at 760 mmHg (EPA, 1998)",0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-BROMO-2-BUTANONE,000814-75-5,13142,3-bromobutan-2-one,CC(C(=O)C)Br,"InChI=1S/C4H7BrO/c1-3(5)4(2)6/h3H,1-2H3",BNBOUFHCTIFWHN-UHFFFAOYSA-N,C4H7BrO,151,149.96803,1.1,17.1,60,0,0,1,1,6,,,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
TETRAKIS(DIMETHYLAMINO)ETHYLENE,000996-70-3,70455,"1-N,1-N,1-N',1-N',2-N,2-N,2-N',2-N'-octamethylethene-1,1,2,2-tetramine",CN(C)C(=C(N(C)C)N(C)C)N(C)C,InChI=1S/C10H24N4/c1-11(2)9(12(3)4)10(13(5)6)14(7)8/h1-8H3,CBXRMKZFYQISIV-UHFFFAOYSA-N,C10H24N4,200.32,200.2000968,1.4,13,162,0,0,4,4,14,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
TRIISOBUTYLAMINE,001116-40-1,14222,"2-methyl-N,N-bis(2-methylpropyl)propan-1-amine",CC(C)CN(CC(C)C)CC(C)C,"InChI=1S/C12H27N/c1-10(2)7-13(8-11(3)4)9-12(5)6/h10-12H,7-9H2,1-6H3",IIFFFBSAXDNJHX-UHFFFAOYSA-N,C12H27N,185.35,185.2143499,4.3,3.2,92,0,0,1,6,13,"124.3 °F (NTP, 1992)","376.7 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
PROPIOLIC ACID,000471-25-0,10110,prop-2-ynoic acid,C#CC(=O)O,"InChI=1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)",UORVCLMRJXCDCP-UHFFFAOYSA-N,C3H2O2,70.05,70.0054793,0.3,37.3,84,0,1,2,0,5,58 °C (136 °F) - closed cup,144 °C (decomposes),0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
ZIRCONIUM-N-PROPOXIDE,023519-77-9,90139,tetrakis(propan-1-olate);zirconium(4+),CCC[O-].CCC[O-].CCC[O-].CCC[O-].[Zr+4],"InChI=1S/4C3H7O.Zr/c4*1-2-3-4;/h4*2-3H2,1H3;/q4*-1;+4",XPGAWFIWCWKDDL-UHFFFAOYSA-N,C12H28O4Zr,327.57,326.103458,,92.2,7,0,0,4,4,17,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
BROMOACETALDEHYDE DIETHYL ACETAL,002032-35-1,74852,"2-bromo-1,1-diethoxyethane",CCOC(CBr)OCC,"InChI=1S/C6H13BrO2/c1-3-8-6(5-7)9-4-2/h6H,3-5H2,1-2H3",LILXDMFJXYAKMK-UHFFFAOYSA-N,C6H13BrO2,197.07,196.00989,1.6,18.5,53,0,0,2,5,9,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-DECYNE,000764-93-2,12997,dec-1-yne,CCCCCCCCC#C,"InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h1H,4-10H2,2H3",ILLHQJIJCRNRCJ-UHFFFAOYSA-N,C10H18,138.25,138.1408506,4.6,0,93,0,0,0,6,10,,,1,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
ETHYL OXALYL CHLORIDE,004755-77-5,20884,ethyl 2-chloro-2-oxoacetate,CCOC(=O)C(=O)Cl,"InChI=1S/C4H5ClO3/c1-2-8-4(7)3(5)6/h2H2,1H3",OWZFULPEVHKEKS-UHFFFAOYSA-N,C4H5ClO3,136.53,135.9927217,1.4,43.4,110,0,0,3,3,8,,,0,0,0,1,0,0,0,1,1,0,0,1,0,0,0,0,1,0,0,1
4-OCTYNE,001942-45-6,16029,oct-4-yne,CCCC#CCCC,"InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3",GZTNBKQTTZSQNS-UHFFFAOYSA-N,C8H14,110.2,110.1095504,3.4,0,79,0,0,0,2,8,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
METHOXYACETYL CHLORIDE,038870-89-2,96623,2-methoxyacetyl chloride,COCC(=O)Cl,"InChI=1S/C3H5ClO2/c1-6-2-3(4)5/h2H2,1H3",JJKWHOSQTYYFAE-UHFFFAOYSA-N,C3H5ClO2,108.52,107.9978071,0.7,26.3,52,0,0,2,2,6,,,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
AMYLTRICHLOROSILANE,000107-72-2,7885,trichloro(pentyl)silane,CCCCC[Si](Cl)(Cl)Cl,"InChI=1S/C5H11Cl3Si/c1-2-3-4-5-9(6,7)8/h2-5H2,1H3",KWDQAHIRKOXFAV-UHFFFAOYSA-N,C5H11Cl3Si,205.6,203.96956,,0,69,0,0,0,3,9,"145 °F (USCG, 1999)","320 °F at 760 mmHg (USCG, 1999)",0,1,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
2-CHLOROETHYL METHYL SULFIDE,000542-81-4,10965,1-chloro-2-methylsulfanylethane,CSCCCl,"InChI=1S/C3H7ClS/c1-5-3-2-4/h2-3H2,1H3",MYFKLQFBFSHBPA-UHFFFAOYSA-N,C3H7ClS,110.61,109.9956991,1.5,25.3,16,0,0,1,2,5,,,0,1,1,1,0,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0
METHYL 3-MERCAPTOPROPIONATE,002935-90-2,18050,methyl 3-sulfanylpropanoate,COC(=O)CCS,"InChI=1S/C4H8O2S/c1-6-4(5)2-3-7/h7H,2-3H2,1H3",LDTLDBDUBGAEDT-UHFFFAOYSA-N,C4H8O2S,120.17,120.0245007,0.3,27.3,62,0,1,3,3,7,,,1,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0
"1,2-DIAMINO-2-METHYLPROPANE",000811-93-8,13128,"2-methylpropane-1,2-diamine",CC(C)(CN)N,"InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3",OPCJOXGBLDJWRM-UHFFFAOYSA-N,C4H12N2,88.15,88.10004839,-1,52,40,0,2,2,1,6,,,0,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,0
IODINE MONOCHLORIDE,007790-99-0,24640,,ClI,InChI=1S/ClI/c1-2,QZRGKCOWNLSUDK-UHFFFAOYSA-N,ClI,162.36,161.87333,1.7,0,2,0,0,0,0,2,,"97 °C, DECOMP",0,1,0,1,0,0,0,1,1,0,0,0,0,0,1,0,1,0,0,1
"1,1,1,5,5,5-HEXAFLUORO-2,4-PENTANEDIONE",001522-22-1,73706,"1,1,1,5,5,5-hexafluoropentane-2,4-dione",C(C(=O)C(F)(F)F)C(=O)C(F)(F)F,"InChI=1S/C5H2F6O2/c6-4(7,8)2(12)1-3(13)5(9,10)11/h1H2",QAMFBRUWYYMMGJ-UHFFFAOYSA-N,C5H2F6O2,208.06,207.9958983,2,34.1,200,0,0,8,2,13,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-FLUOROHEXANE,000373-14-8,9760,1-fluorohexane,CCCCCCF,"InChI=1S/C6H13F/c1-2-3-4-5-6-7/h2-6H2,1H3",OFERIJCSHDJMSA-UHFFFAOYSA-N,C6H13F,104.17,104.1001286,3.4,0,27,0,0,1,4,7,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TERT-BUTYL ISOTHIOCYANATE,000590-42-1,11544,2-isothiocyanato-2-methylpropane,CC(C)(C)N=C=S,"InChI=1S/C5H9NS/c1-5(2,3)6-4-7/h1-3H3",ZFWFRTVIIMTOLY-UHFFFAOYSA-N,C5H9NS,115.2,115.0455705,2.6,44.5,95,0,0,2,1,7,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
TETRAETHYLTIN,000597-64-8,11704,tetraethylstannane,CC[Sn](CC)(CC)CC,"InChI=1S/4C2H5.Sn/c4*1-2;/h4*1H2,2H3;",RWWNQEOPUOCKGR-UHFFFAOYSA-N,C8H20Sn,234.95,236.058703,,0,47,0,0,0,4,9,,"358 °F at 760 mmHg (EPA, 1998)",1,1,1,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
TETRAVINYLTIN,001112-56-7,66189,tetrakis(ethenyl)stannane,C=C[Sn](C=C)(C=C)C=C,"InChI=1S/4C2H3.Sn/c4*1-2;/h4*1H,2H2;",MZIYQMVHASXABC-UHFFFAOYSA-N,C8H12Sn,226.89,227.996103,,0,107,0,0,0,4,9,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
METHYL FLUOROACETATE,000453-18-9,9959,methyl 2-fluoroacetate,COC(=O)CF,"InChI=1S/C3H5FO2/c1-6-3(5)2-4/h2H2,1H3",RJBYSQHLLIHSLT-UHFFFAOYSA-N,C3H5FO2,92.07,92.02735756,0.5,26.3,52,0,0,3,2,6,,104.5 °C,1,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
HEXANOYL CHLORIDE,000142-61-0,67340,hexanoyl chloride,CCCCCC(=O)Cl,"InChI=1S/C6H11ClO/c1-2-3-4-5-6(7)8/h2-5H2,1H3",YWGHUJQYGPDNKT-UHFFFAOYSA-N,C6H11ClO,134.6,134.0498427,2.9,17.1,70,0,0,1,4,8,,,0,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,1,0,0,0
CHLOROTRIETHYLSILANE,000994-30-9,13819,chloro(triethyl)silane,CC[Si](CC)(CC)Cl,"InChI=1S/C6H15ClSi/c1-4-8(7,5-2)6-3/h4-6H2,1-3H3",DCFKHNIGBAHNSS-UHFFFAOYSA-N,C6H15ClSi,150.72,150.0631547,,0,51,0,0,0,3,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
HEPTYLAMINE,000111-68-2,8127,heptan-1-amine,CCCCCCCN,"InChI=1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3",WJYIASZWHGOTOU-UHFFFAOYSA-N,C7H17N,115.22,115.1360995,2.6,26,35,0,1,1,5,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"1,1,3,3-TETRAMETHYLGUANIDINE",000080-70-6,66460,"1,1,3,3-tetramethylguanidine",CN(C)C(=N)N(C)C,"InChI=1S/C5H13N3/c1-7(2)5(6)8(3)4/h6H,1-4H3",KYVBNYUBXIEUFW-UHFFFAOYSA-N,C5H13N3,115.18,115.1109474,0.4,30.3,75,0,1,1,2,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
MYRCENE,000123-35-3,31253,"7-methyl-3-methylideneocta-1,6-diene",CC(=CCCC(=C)C=C)C,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3",UAHWPYUMFXYFJY-UHFFFAOYSA-N,C10H16,136.23,136.1252005,4.3,0,145,0,0,0,4,10,"103 °F (USCG, 1999)","332.6 °F at 760 mmHg (USCG, 1999)",1,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
TERT-BUTYL BROMOACETATE,005292-43-3,79177,tert-butyl 2-bromoacetate,CC(C)(C)OC(=O)CBr,"InChI=1S/C6H11BrO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3",BNWCETAHAJSBFG-UHFFFAOYSA-N,C6H11BrO2,195.05,193.99424,1.9,26.3,104,0,0,2,3,9,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
NIOBIUM ETHOXIDE,003236-82-6,160675,ethanolate;niobium(5+),CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[Nb+5],"InChI=1S/5C2H5O.Nb/c5*1-2-3;/h5*2H2,1H3;/q5*-1;+5",ZTILUDNICMILKJ-UHFFFAOYSA-N,C10H25NbO5,318.21,318.07657,,115,2,0,0,5,0,16,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
TRIMETHYLACETIC ANHYDRIDE,001538-75-6,15234,"2,2-dimethylpropanoyl 2,2-dimethylpropanoate",CC(C)(C)C(=O)OC(=O)C(C)(C)C,"InChI=1S/C10H18O3/c1-9(2,3)7(11)13-8(12)10(4,5)6/h1-6H3",PGZVFRAEAAXREB-UHFFFAOYSA-N,C10H18O3,186.25,186.1255944,2.7,43.4,191,0,0,3,4,13,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,1
"N,N-DIMETHYLFORMAMIDE-D7",004472-41-7,78225,"1-deuterio-N,N-bis(trideuteriomethyl)formamide",[2H]C(=O)N(C([2H])([2H])[2H])C([2H])([2H])[2H],"InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3/i1D3,2D3,3D",ZMXDDKWLCZADIW-YYWVXINBSA-N,C3H7NO,80.14,80.09670107,-1,20.3,33,0,0,1,0,5,,,0,1,1,0,0,0,0,1,1,0,0,0,0,1,0,0,0,0,0,0
"TRANS-1,3-DICHLOROPROPENE",010061-02-6,24726,"(E)-1,3-dichloroprop-1-ene",C(/C=C/Cl)Cl,"InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+",UOORRWUZONOOLO-OWOJBTEDSA-N,C3H4Cl2,110.97,109.9690055,1.7,0,31,0,0,0,1,5,,"234 °F at 760 mmHg (NTP, 1992)",1,1,0,1,0,1,1,1,1,0,0,0,0,0,0,0,1,1,0,0
3-ETHYL-3-PENTANOL,000597-49-9,11702,3-ethylpentan-3-ol,CCC(CC)(CC)O,"InChI=1S/C7H16O/c1-4-7(8,5-2)6-3/h8H,4-6H2,1-3H3",XKIRHOWVQWCYBT-UHFFFAOYSA-N,C7H16O,116.2,116.1201151,2.1,20.2,47,0,1,1,3,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ETHYL ALPHA-BROMOPROPIONATE,000535-11-5,79040,ethyl 2-bromopropanoate,CCOC(=O)C(C)Br,"InChI=1S/C5H9BrO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3",ARFLASKVLJTEJD-UHFFFAOYSA-N,C5H9BrO2,181.03,179.97859,1.7,26.3,82,0,0,2,3,8,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
TANTALUM(V) ETHOXIDE,006074-84-6,160806,ethanolate;tantalum(5+),CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[Ta+5],"InChI=1S/5C2H5O.Ta/c5*1-2-3;/h5*2H2,1H3;/q5*-1;+5",HSXKFDGTKKAEHL-UHFFFAOYSA-N,C10H25O5Ta,406.25,406.1182,,115,2,0,0,5,0,16,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ISOAMYL ETHER,000544-01-4,10989,3-methyl-1-(3-methylbutoxy)butane,CC(C)CCOCCC(C)C,"InChI=1S/C10H22O/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3",AQZGPSLYZOOYQP-UHFFFAOYSA-N,C10H22O,158.28,158.1670653,3.5,9.2,66,0,0,1,6,11,,172.5 °C,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0
PROPYLENE GLYCOL T-BUTYL ETHER,057018-52-7,92629,1-[(2-methylpropan-2-yl)oxy]propan-2-ol,CC(COC(C)(C)C)O,"InChI=1S/C7H16O2/c1-6(8)5-9-7(2,3)4/h6,8H,5H2,1-4H3",GQCZPFJGIXHZMB-UHFFFAOYSA-N,C7H16O2,132.2,132.1150297,0.8,29.5,73,0,1,2,3,9,"112 °F (NTP, 1992)","304 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
ETHYL 2-BROMOISOBUTYRATE,000600-00-0,11745,ethyl 2-bromo-2-methylpropanoate,CCOC(=O)C(C)(C)Br,"InChI=1S/C6H11BrO2/c1-4-9-5(8)6(2,3)7/h4H2,1-3H3",IOLQWGVDEFWYNP-UHFFFAOYSA-N,C6H11BrO2,195.05,193.99424,1.9,26.3,110,0,0,2,3,9,,,0,0,0,1,0,0,0,1,1,0,1,0,0,0,0,0,0,1,0,0
4-METHYLHEXANOIC ACID,001561-11-1,15271,4-methylhexanoic acid,CCC(C)CCC(=O)O,"InChI=1S/C7H14O2/c1-3-6(2)4-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)",DIVCBWJKVSFZKJ-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,2,37.3,88,0,1,2,4,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"N,O-BIS-(TRIMETHYLSILYL)-HYDROXYLAMINE",022737-37-7,89815,[dimethyl-(trimethylsilyloxyamino)silyl]methane,C[Si](C)(C)NO[Si](C)(C)C,"InChI=1S/C6H19NOSi2/c1-9(2,3)7-8-10(4,5)6/h7H,1-6H3",ZAEUMMRLGAMWKE-UHFFFAOYSA-N,C6H19NOSi2,177.39,177.1005173,,21.3,103,0,1,2,3,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
CHLORODIMETHYLOCTYLSILANE,018162-84-0,87482,chloro-dimethyl-octylsilane,CCCCCCCC[Si](C)(C)Cl,"InChI=1S/C10H23ClSi/c1-4-5-6-7-8-9-10-12(2,3)11/h4-10H2,1-3H3",DBKNGKYVNBJWHL-UHFFFAOYSA-N,C10H23ClSi,206.83,206.125755,,0,102,0,0,0,7,12,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
3-BUTEN-1-0L,000627-27-0,69389,but-3-en-1-ol,C=CCCO,"InChI=1S/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2",ZSPTYLOMNJNZNG-UHFFFAOYSA-N,C4H8O,72.11,72.05751487,0.6,20.2,24,0,1,1,2,5,,113.50 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
5-HEXEN-1-OL,000821-41-0,69963,hex-5-en-1-ol,C=CCCCCO,"InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2,7H,1,3-6H2",UIZVMOZAXAMASY-UHFFFAOYSA-N,C6H12O,100.16,100.088815,1.4,20.2,41,0,1,1,4,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
2-METHYL-1-BUTANOL,000137-32-6,8723,2-methylbutan-1-ol,CCC(C)CO,"InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3",QPRQEDXDYOZYLA-UHFFFAOYSA-N,C5H12O,88.15,88.088815,1.2,20.2,27,0,1,1,2,6,50 °C,128 °C @ 760 MM HG,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
AMINOACETALDEHYDE DIMETHYL ACETAL,022483-09-6,89728,"2,2-dimethoxyethanamine",COC(CN)OC,"InChI=1S/C4H11NO2/c1-6-4(3-5)7-2/h4H,3,5H2,1-2H3",QKWWDTYDYOFRJL-UHFFFAOYSA-N,C4H11NO2,105.14,105.0789786,-0.8,44.5,36,0,1,3,3,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
METHYL THIOCYANATE,000556-64-9,11168,methyl thiocyanate,CSC#N,InChI=1S/C2H3NS/c1-4-2-3/h1H3,VYHVQEYOFIYNJP-UHFFFAOYSA-N,C2H3NS,73.12,72.99862027,0.9,49.1,41,0,0,2,0,4,,"266 to 271 °F at 760 mmHg (EPA, 1998)",0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1H,1H,2H,2H-PERFLUORODECAN-1-OL",000865-86-1,70083,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecan-1-ol",C(CO)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C12H5F21O/c13-3(14,1-2-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h34H,1-2H2",FLXYIZWPNQYPIT-UHFFFAOYSA-N,C12H5F21O,564.13,564.0005062,7.1,20.2,731,0,1,22,10,34,,,0,0,1,1,0,1,0,1,1,0,0,0,0,1,0,0,1,0,1,1
"2,2,4,6,6-PENTAMETHYLHEPTANE",013475-82-6,26058,"2,2,4,6,6-pentamethylheptane",CC(CC(C)(C)C)CC(C)(C)C,"InChI=1S/C12H26/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,8-9H2,1-7H3",VKPSKYDESGTTFR-UHFFFAOYSA-N,C12H26,170.33,170.2034508,5.6,0,104,0,0,0,4,12,,,0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
2-ETHYL-1-HEXANETHIOL,007341-17-5,110968,2-ethylhexane-1-thiol,CCCCC(CC)CS,"InChI=1S/C8H18S/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3",UCJMHYXRQZYNNL-UHFFFAOYSA-N,C8H18S,146.3,146.1129218,4,1,52,0,1,1,5,9,,178.00 to 182.00 °C. @ 760.00 mm Hg,0,1,1,1,0,0,1,1,1,0,0,0,0,0,1,0,0,0,0,0
N-HEXYLMETHYLAMINE,035161-70-7,37079,N-methylhexan-1-amine,CCCCCCNC,"InChI=1S/C7H17N/c1-3-4-5-6-7-8-2/h8H,3-7H2,1-2H3",XJINZNWPEQMMBV-UHFFFAOYSA-N,C7H17N,115.22,115.1360995,2.1,12,35,0,1,1,5,8,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
BIS(TRIMETHYLSILYL)SULFIDE,003385-94-2,76920,trimethyl(trimethylsilylsulfanyl)silane,C[Si](C)(C)S[Si](C)(C)C,"InChI=1S/C6H18SSi2/c1-8(2,3)7-9(4,5)6/h1-6H3",RLECCBFNWDXKPK-UHFFFAOYSA-N,C6H18SSi2,178.44,178.0667748,,25.3,76,0,0,1,2,9,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TERT-BUTYL CHLOROACETATE,000107-59-5,66052,tert-butyl 2-chloroacetate,CC(C)(C)OC(=O)CCl,"InChI=1S/C6H11ClO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3",KUYMVWXKHQSIAS-UHFFFAOYSA-N,C6H11ClO2,150.6,150.0447573,1.7,26.3,104,0,0,2,3,9,,,1,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,0
HEXYL ISOCYANATE,002525-62-4,75659,1-isocyanatohexane,CCCCCCN=C=O,"InChI=1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3",ANJPRQPHZGHVQB-UHFFFAOYSA-N,C7H13NO,127.18,127.099714,3.3,29.4,95,0,0,2,5,9,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0
GERMANIUM(IV) ISOPROPOXIDE,021154-48-3,16685043,tetra(propan-2-yloxy)germane,CC(C)O[Ge](OC(C)C)(OC(C)C)OC(C)C,"InChI=1S/C12H28GeO4/c1-9(2)14-13(15-10(3)4,16-11(5)6)17-12(7)8/h9-12H,1-8H3",PKLMYPSYVKAPOX-UHFFFAOYSA-N,C12H28GeO4,308.98,310.1199371,,36.9,159,0,0,4,8,17,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
ETHYL ISOTHIOCYANATE,000542-85-8,10966,isothiocyanatoethane,CCN=C=S,"InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3",HBNYJWAFDZLWRS-UHFFFAOYSA-N,C3H5NS,87.15,87.01427034,1.5,44.5,53,0,0,2,1,5,,,1,1,1,1,0,0,0,0,1,0,0,0,0,0,1,0,1,1,0,0
TRIETHOXYSILANE,000998-30-1,13830,triethoxysilane,CCO[SiH](OCC)OCC,"InChI=1S/C6H16O3Si/c1-4-7-10(8-5-2)9-6-3/h10H,4-6H2,1-3H3",QQQSFSZALRVCSZ-UHFFFAOYSA-N,C6H16O3Si,164.27,164.0868709,,27.7,55,0,0,3,6,10,26 °C,"270 to 275 °F at 760 mmHg (EPA, 1998)",0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
N-BUTYLETHYLENEDIAMINE,019522-69-1,519668,"N'-butylethane-1,2-diamine",CCCCNCCN,"InChI=1S/C6H16N2/c1-2-3-5-8-6-4-7/h8H,2-7H2,1H3",DFPGBRPWDZFIPP-UHFFFAOYSA-N,C6H16N2,116.2,116.1313485,0.1,38.1,37,0,2,2,5,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
ALLYL CHLOROFORMATE,002937-50-0,18052,prop-2-enyl carbonochloridate,C=CCOC(=O)Cl,"InChI=1S/C4H5ClO2/c1-2-3-7-4(5)6/h2H,1,3H2",CAEWJEXPFKNBQL-UHFFFAOYSA-N,C4H5ClO2,120.53,119.9978071,2,26.3,79,0,0,2,3,7,"88 °F (USCG, 1999)","235 °F at 760 mmHg (USCG, 1999)",0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"N,N-DIETHYLBUTYLAMINE",004444-68-2,20513,"N,N-diethylbutan-1-amine",CCCCN(CC)CC,"InChI=1S/C8H19N/c1-4-7-8-9(5-2)6-3/h4-8H2,1-3H3",ORSUTASIQKBEFU-UHFFFAOYSA-N,C8H19N,129.24,129.1517496,2.2,3.2,48,0,0,1,5,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"1,3,5-HEXATRIENE",002235-12-3,16695,"hexa-1,3,5-triene",C=CC=CC=C,"InChI=1S/C6H8/c1-3-5-6-4-2/h3-6H,1-2H2",AFVDZBIIBXWASR-UHFFFAOYSA-N,C6H8,80.13,80.06260026,2.5,0,58,0,0,0,2,6,,,0,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
TRIHEXYL(TETRADECYL)PHOSPHONIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE,460092-03-9,11181836,bis(trifluoromethylsulfonyl)azanide;trihexyl(tetradecyl)phosphanium,CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F,"InChI=1S/C32H68P.C2F6NO4S2/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-32H2,1-4H3;/q+1;-1",HYNYWFRJHNNLJA-UHFFFAOYSA-N,C34H68F6NO4PS2,764,763.423158,,86,693,0,0,11,30,48,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
2-CHLOROPROPIONYL CHLORIDE,007623-09-8,111019,2-chloropropanoyl chloride,CC(C(=O)Cl)Cl,"InChI=1S/C3H4Cl2O/c1-2(4)3(5)6/h2H,1H3",JEQDSBVHLKBEIZ-UHFFFAOYSA-N,C3H4Cl2O,126.97,125.9639201,1.8,17.1,61,0,0,1,1,6,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"2,2-DIMETHYL-1,3-PROPANEDIAMINE",007328-91-8,81770,"2,2-dimethylpropane-1,3-diamine",CC(C)(CN)CN,"InChI=1S/C5H14N2/c1-5(2,3-6)4-7/h3-4,6-7H2,1-2H3",DDHUNHGZUHZNKB-UHFFFAOYSA-N,C5H14N2,102.18,102.1156985,-0.5,52,44,0,2,2,2,7,,,0,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,0
"1,3-PENTANEDIAMINE",000589-37-7,102444,"pentane-1,3-diamine",CCC(CCN)N,"InChI=1S/C5H14N2/c1-2-5(7)3-4-6/h5H,2-4,6-7H2,1H3",WTSXICLFTPPDTL-UHFFFAOYSA-N,C5H14N2,102.18,102.1156985,-0.3,52,37,0,2,2,3,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
ALLYL ISOTHIOCYANATE,000057-06-7,5971,3-isothiocyanatoprop-1-ene,C=CCN=C=S,"InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2",ZOJBYZNEUISWFT-UHFFFAOYSA-N,C4H5NS,99.16,99.01427034,2.4,44.5,81,0,0,2,2,6,"115 °F (NTP, 1992)","304 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
2-METHOXY-N-(2-METHOXYETHYL)ETHANAMINE,000111-95-5,2383,2-methoxy-N-(2-methoxyethyl)ethanamine,COCCNCCOC,"InChI=1S/C6H15NO2/c1-8-5-3-7-4-6-9-2/h7H,3-6H2,1-2H3",IBZKBSXREAQDTO-UHFFFAOYSA-N,C6H15NO2,133.19,133.1102787,-0.5,30.5,44,0,1,3,6,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
2-AMINOHEPTANE,000123-82-0,5603,heptan-2-amine,CCCCCC(C)N,"InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3",VSRBKQFNFZQRBM-UHFFFAOYSA-N,C7H17N,115.22,115.1360995,2.4,26,43,0,1,1,4,8,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TRICHLOROPROPYLSILANE,000141-57-1,8850,trichloro(propyl)silane,CCC[Si](Cl)(Cl)Cl,"InChI=1S/C3H7Cl3Si/c1-2-3-7(4,5)6/h2-3H2,1H3",DOEHJNBEOVLHGL-UHFFFAOYSA-N,C3H7Cl3Si,177.53,175.93826,,0,48,0,0,0,1,7,"98 to 100 °F (NFPA, 2010)",123.5 °C,0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
ETHYL 2-BROMOBUTYRATE,000533-68-6,79039,ethyl 2-bromobutanoate,CCC(C(=O)OCC)Br,"InChI=1S/C6H11BrO2/c1-3-5(7)6(8)9-4-2/h5H,3-4H2,1-2H3",XIMFCGSNSKXPBO-UHFFFAOYSA-N,C6H11BrO2,195.05,193.99424,2.2,26.3,93,0,0,2,4,9,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
4-HYDROXY-2-BUTANONE,000590-90-9,111509,4-hydroxybutan-2-one,CC(=O)CCO,"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3",LVSQXDHWDCMMRJ-UHFFFAOYSA-N,C4H8O2,88.11,88.05242949,-0.8,37.3,49,0,1,2,2,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,0
ETHYL CYANOFORMATE,000623-49-4,69336,ethyl cyanoformate,CCOC(=O)C#N,"InChI=1S/C4H5NO2/c1-2-7-4(6)3-5/h2H2,1H3",MSMGXWFHBSCQFB-UHFFFAOYSA-N,C4H5NO2,99.09,99.0320284,0.6,50.1,110,0,0,3,2,7,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"3,4-DICHLORO-1-BUTENE",000760-23-6,12971,"3,4-dichlorobut-1-ene",C=CC(CCl)Cl,"InChI=1S/C4H6Cl2/c1-2-4(6)3-5/h2,4H,1,3H2",XVEASTGLHPVZNA-UHFFFAOYSA-N,C4H6Cl2,124.99,123.9846556,2.1,0,42,0,0,0,2,6,45 °C,118.6 °C,0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
3-METHYL-3-BUTEN-1-OL,000763-32-6,12988,3-methylbut-3-en-1-ol,CC(=C)CCO,"InChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3",CPJRRXSHAYUTGL-UHFFFAOYSA-N,C5H10O,86.13,86.07316494,1.3,20.2,47,0,1,1,2,6,,130.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0
DICHLORO(CHLOROMETHYL)METHYLSILANE,001558-33-4,73788,dichloro-(chloromethyl)-methylsilane,C[Si](CCl)(Cl)Cl,"InChI=1S/C2H5Cl3Si/c1-6(4,5)2-3/h2H2,1H3",JAYBZWYBCUJLNQ-UHFFFAOYSA-N,C2H5Cl3Si,163.5,161.92261,,0,44,0,0,0,1,6,,,0,0,1,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
TRIMETHYLSILYL ISOTHIOCYANATE,002290-65-5,75297,isothiocyanato(trimethyl)silane,C[Si](C)(C)N=C=S,"InChI=1S/C4H9NSSi/c1-7(2,3)5-4-6/h1-3H3",XLTUPERVRFLGLJ-UHFFFAOYSA-N,C4H9NSSi,131.27,131.022497,,44.5,98,0,0,2,1,7,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,1,0,1,0,0,1
2-ETHYLBUTANOYL CHLORIDE,002736-40-5,75954,2-ethylbutanoyl chloride,CCC(CC)C(=O)Cl,"InChI=1S/C6H11ClO/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3",SMUKODJVMQOSAB-UHFFFAOYSA-N,C6H11ClO,134.6,134.0498427,2.7,17.1,76,0,0,1,3,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"2,4-HEXANEDIONE",003002-24-2,76355,"hexane-2,4-dione",CCC(=O)CC(=O)C,"InChI=1S/C6H10O2/c1-3-6(8)4-5(2)7/h3-4H2,1-2H3",NDOGLIPWGGRQCO-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,0.3,34.1,105,0,0,2,3,8,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
N-ETHENYL-N-METHYLACETAMIDE,003195-78-6,18530,N-ethenyl-N-methylacetamide,CC(=O)N(C)C=C,"InChI=1S/C5H9NO/c1-4-6(3)5(2)7/h4H,1H2,2-3H3",PNLUGRYDUHRLOF-UHFFFAOYSA-N,C5H9NO,99.13,99.06841391,0.2,20.3,88,0,0,1,1,7,,,0,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,1,1
1-NONYNE,003452-09-3,18937,non-1-yne,CCCCCCCC#C,"InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h1H,4-9H2,2H3",OSSQSXOTMIGBCF-UHFFFAOYSA-N,C9H16,124.22,124.1252005,4,0,83,0,0,0,5,9,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
(BROMOMETHYL)CHLORODIMETHYLSILANE,016532-02-8,85476,bromomethyl-chloro-dimethylsilane,C[Si](C)(CBr)Cl,"InChI=1S/C3H8BrClSi/c1-6(2,5)3-4/h3H2,1-2H3",CAURZYXCQQWBJO-UHFFFAOYSA-N,C3H8BrClSi,187.54,185.92672,,0,46,0,0,0,1,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"CARBONOCYANIDIC ACID, METHYL ESTER",017640-15-2,28660,methyl cyanoformate,COC(=O)C#N,InChI=1S/C3H3NO2/c1-6-3(5)2-4/h1H3,OBWFJXLKRAFEDI-UHFFFAOYSA-N,C3H3NO2,85.06,85.01637834,0.3,50.1,98,0,0,3,1,6,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"N-PROPYL-1,3-PROPANEDIAMINE",023764-31-0,90250,"N'-propylpropane-1,3-diamine",CCCNCCCN,"InChI=1S/C6H16N2/c1-2-5-8-6-3-4-7/h8H,2-7H2,1H3",OWKYZAGJTTTXOK-UHFFFAOYSA-N,C6H16N2,116.2,116.1313485,0.1,38.1,37,0,2,2,5,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"BIS(2,4,4-TRIMETHYLPENTYL)PHOPHINODITHIOIC ACID",107667-02-7,163778,"sulfanyl-sulfanylidene-bis(2,4,4-trimethylpentyl)-lambda5-phosphane",CC(CC(C)(C)C)CP(=S)(CC(C)CC(C)(C)C)S,"InChI=1S/C16H35PS2/c1-13(9-15(3,4)5)11-17(18,19)12-14(2)10-16(6,7)8/h13-14H,9-12H2,1-8H3,(H,18,19)",YOCZZJWFWDUAAR-UHFFFAOYSA-N,C16H35PS2,322.6,322.1917805,7.3,33.1,282,0,1,2,8,19,,,0,0,1,1,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID (1,2-13C2, 99%)",016651-47-1,11182567,acetic acid,[13CH3][13C](=O)O,"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1+1,2+1",QTBSBXVTEAMEQO-ZDOIIHCHSA-N,C2H4O2,62.037,62.02783904,-0.2,37.3,31,0,1,2,0,4,,,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
ACRYLIC ACID-D4 (STABILIZED WITH HYDROQUINONE),285138-82-1,12999058,"deuterio 2,3,3-trideuterioprop-2-enoate",[2H]C(=C([2H])C(=O)O[2H])[2H],"InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)/i1D2,2D/hD",NIXOWILDQLNWCW-JMLDNBOGSA-N,C3H4O2,76.09,76.04623635,0.3,37.3,55,0,1,2,1,5,,,1,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
PROPIONYL BROMIDE,000598-22-1,69018,propanoyl bromide,CCC(=O)Br,"InChI=1S/C3H5BrO/c1-2-3(4)5/h2H2,1H3",RIBFXMJCUYXJDZ-UHFFFAOYSA-N,C3H5BrO,136.98,135.95238,1.3,17.1,42,0,0,1,1,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"BORANE-N,N-DIISOPROPYLETHYLAMINE COMPLEX",088996-23-0,11789314,,[B].CCN(C(C)C)C(C)C,"InChI=1S/C8H19N.B/c1-6-9(7(2)3)8(4)5;/h7-8H,6H2,1-5H3;",BYKCUMSOQIPHSR-UHFFFAOYSA-N,C8H19BN,140.06,140.1610548,,3.2,59,0,0,1,3,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"N,N'-DIMETHYLETHYLENEDIAMINE",000110-70-3,8070,"N,N'-dimethylethane-1,2-diamine",CNCCNC,"InChI=1S/C4H12N2/c1-5-3-4-6-2/h5-6H,3-4H2,1-2H3",KVKFRMCSXWQSNT-UHFFFAOYSA-N,C4H12N2,88.15,88.10004839,-0.6,24.1,17,0,2,2,3,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TRIBUTYLVINYLSTANNANE,007486-35-3,81998,tributyl(ethenyl)stannane,CCCC[Sn](CCCC)(CCCC)C=C,"InChI=1S/3C4H9.C2H3.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;1H,2H2;",QIWRFOJWQSSRJZ-UHFFFAOYSA-N,C14H30Sn,317.1,318.136954,,0,130,0,0,0,10,15,,,1,1,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,1,0
"ACRYLIC ACID INHIBITED WITH (+ 0.1% 4-METHOXYPHENOL) (13C3, 99%) (<5% H2O)",202326-54-3,16217360,"(1,2,3-13C3)prop-2-enoic acid",[13CH2]=[13CH][13C](=O)O,"InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)/i1+1,2+1,3+1",NIXOWILDQLNWCW-VMIGTVKRSA-N,C3H4O2,75.041,75.03119387,0.3,37.3,55,0,1,2,1,5,,,1,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"ACRYLIC ACID INHIBITED WITH (+ 0.1% 4-METHOXYPHENOL) (1-13C3, 99%) (<5% H2O)",095387-98-7,12999056,(113C)prop-2-enoic acid,C=C[13C](=O)O,"InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)/i3+1",NIXOWILDQLNWCW-LBPDFUHNSA-N,C3H4O2,73.06,73.0244842,0.3,37.3,55,0,1,2,1,5,,,1,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
(2H)FORMIC (2)ACID,000920-42-3,123092,deuterio deuterioformate,[2H]C(=O)O[2H],"InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/i1D/hD",BDAGIHXWWSANSR-PFUFQJKNSA-N,CH2O2,48.038,48.01803279,-0.2,37.3,10,0,1,2,0,3,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"2,2,3,3-TETRAFLUOROPROPYL METHACRYLATE",045102-52-1,123515,"2,2,3,3-tetrafluoropropyl 2-methylprop-2-enoate",CC(=C)C(=O)OCC(C(F)F)(F)F,"InChI=1S/C7H8F4O2/c1-4(2)5(12)13-3-7(10,11)6(8)9/h6H,1,3H2,2H3",RSVZYSKAPMBSMY-UHFFFAOYSA-N,C7H8F4O2,200.13,200.0460421,2.6,26.3,213,0,0,6,5,13,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-PENTENENITRILE,013284-42-9,5364360,(E)-pent-2-enenitrile,CC/C=C/C#N,"InChI=1S/C5H7N/c1-2-3-4-5-6/h3-4H,2H2,1H3/b4-3+",ISBHMJZRKAFTGE-ONEGZZNKSA-N,C5H7N,81.12,81.05784923,1.2,23.8,83,0,0,1,1,6,"73.8 °F (NTP, 1992)","234 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
TRANS-3-PENTENENITRILE,016529-66-1,5324707,(E)-pent-3-enenitrile,C/C=C/CC#N,"InChI=1S/C5H7N/c1-2-3-4-5-6/h2-3H,4H2,1H3/b3-2+",UVKXJAUUKPDDNW-NSCUHMNNSA-N,C5H7N,81.12,81.05784923,1,23.8,83,0,0,1,1,6,40 °C,,0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
(3-CHLOROPROPYL)ETHOXYDIMETHYLSILANE,013508-63-9,83538,3-chloropropyl-ethoxy-dimethylsilane,CCO[Si](C)(C)CCCCl,"InChI=1S/C7H17ClOSi/c1-4-9-10(2,3)7-5-6-8/h4-7H2,1-3H3",IIFBEYQLKOBDQH-UHFFFAOYSA-N,C7H17ClOSi,180.75,180.0737194,,9.2,85,0,0,1,5,10,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
4-METHYL-1-PENTANOL,000626-89-1,12296,4-methylpentan-1-ol,CC(C)CCCO,"InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3",PCWGTDULNUVNBN-UHFFFAOYSA-N,C6H14O,102.17,102.1044651,1.6,20.2,33,0,1,1,3,7,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
ACETIC ANHYDRIDE-D6,016649-49-3,2723966,"(2,2,2-trideuterioacetyl) 2,2,2-trideuterioacetate",[2H]C([2H])([2H])C(=O)OC(=O)C([2H])([2H])[2H],"InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3/i1D3,2D3",WFDIJRYMOXRFFG-WFGJKAKNSA-N,C4H6O3,108.13,108.0693545,-0.1,43.4,83,0,0,3,2,7,,,0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"(1,1-2H2)-2,2,2-TRIFLUOROETANE-1-(2H)OL",077253-67-9,2724851,"1,1-dideuterio-1-deuteriooxy-2,2,2-trifluoroethane",[2H]C([2H])(C(F)(F)F)O[2H],"InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2/i1D2,6D",RHQDFWAXVIIEBN-IDPMSXFZSA-N,C2H3F3O,103.06,103.0324294,0.4,20.2,38,0,1,4,0,6,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,1,1
4-BROMO-1-BUTYNE,038771-21-0,11073464,4-bromobut-1-yne,C#CCCBr,"InChI=1S/C4H5Br/c1-2-3-4-5/h1H,3-4H2",XLYOGWXIKVUXCL-UHFFFAOYSA-N,C4H5Br,132.99,131.95746,1.6,0,47,0,0,0,1,5,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0
ACETIC ACID C-13,001563-79-7,10153982,acetic acid,C[13C](=O)O,"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i2+1",QTBSBXVTEAMEQO-VQEHIDDOSA-N,C2H4O2,61.045,61.0244842,-0.2,37.3,31,0,1,2,0,4,,,0,1,1,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
DI-2-PROPYNYLAMINE,006921-28-4,23350,N-prop-2-ynylprop-2-yn-1-amine,C#CCNCC#C,"InChI=1S/C6H7N/c1-3-5-7-6-4-2/h1-2,7H,5-6H2",RGSODMOUXWISAG-UHFFFAOYSA-N,C6H7N,93.13,93.05784923,0,12,102,0,1,1,2,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
TRIMETHYLSILYL CHLOROSULFONATE,004353-77-9,78059,[chlorosulfonyloxy(dimethyl)silyl]methane,C[Si](C)(C)OS(=O)(=O)Cl,"InChI=1S/C3H9ClO3SSi/c1-9(2,3)7-8(4,5)6/h1-3H3",QWQONZVLXJGXHV-UHFFFAOYSA-N,C3H9ClO3SSi,188.71,187.9730195,,51.8,174,0,0,3,2,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
(TRIMETHYLSILYL)ACETONITRILE,018293-53-3,87557,2-trimethylsilylacetonitrile,C[Si](C)(C)CC#N,"InChI=1S/C5H11NSi/c1-7(2,3)5-4-6/h5H2,1-3H3",WJKMUGYQMMXILX-UHFFFAOYSA-N,C5H11NSi,113.23,113.0660759,,23.8,92,0,0,1,1,7,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,2-DIMETHYLBUTYRYL CHLORIDE",005856-77-9,79958,"2,2-dimethylbutanoyl chloride",CCC(C)(C)C(=O)Cl,"InChI=1S/C6H11ClO/c1-4-6(2,3)5(7)8/h4H2,1-3H3",LDJUYMIFFNTKOI-UHFFFAOYSA-N,C6H11ClO,134.6,134.0498427,2.5,17.1,96,0,0,1,2,8,,,0,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,1,0,0,0
ETHENESULFONYL FLUORIDE,000677-25-8,69612,ethenesulfonyl fluoride,C=CS(=O)(=O)F,"InChI=1S/C2H3FO2S/c1-2-6(3,4)5/h2H,1H2",BYPHZHGVWNKAFC-UHFFFAOYSA-N,C2H3FO2S,110.11,109.9837787,0.6,42.5,128,0,0,3,1,6,,,0,1,1,1,0,0,0,0,1,0,1,0,0,0,0,0,1,0,0,1
METHYL IODOACETATE,005199-50-8,6429536,methyl 2-iodoacetate,COC(=O)CI,"InChI=1S/C3H5IO2/c1-6-3(5)2-4/h2H2,1H3",YDGMIJCIBXSCQR-UHFFFAOYSA-N,C3H5IO2,199.97,199.93343,0.8,26.3,52,0,0,2,2,6,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"N,N,N'-TRIETHYLETHYLENEDIAMINE",000105-04-4,66040,"N,N',N'-triethylethane-1,2-diamine",CCNCCN(CC)CC,"InChI=1S/C8H20N2/c1-4-9-7-8-10(5-2)6-3/h9H,4-8H2,1-3H3",HDCAZTXEZQWTIJ-UHFFFAOYSA-N,C8H20N2,144.26,144.1626486,0.9,15.3,60,0,1,2,6,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
2-(2-AZIDOETHOXY)ETHANOL,139115-90-5,11400789,2-(2-azidoethoxy)ethanol,C(COCCO)N=[N+]=[N-],"InChI=1S/C4H9N3O2/c5-7-6-1-3-9-4-2-8/h8H,1-4H2",CGJFKQFYZOARRV-UHFFFAOYSA-N,C4H9N3O2,131.13,131.0694765,0.3,43.8,100,0,1,4,5,9,,,0,0,0,0,1,0,0,1,1,0,0,0,1,1,0,1,1,0,1,1
"ISOOCTYL TRIMETHOXYSILANE, MIXTURE OF ISOMERS",088468-45-5,118163,"trimethoxy(2,4,4-trimethylpentyl)silane",CC(CC(C)(C)C)C[Si](OC)(OC)OC,"InChI=1S/C11H26O3Si/c1-10(8-11(2,3)4)9-15(12-5,13-6)14-7/h10H,8-9H2,1-7H3",UWSYCPWEBZRZNJ-UHFFFAOYSA-N,C11H26O3Si,234.41,234.1651212,,27.7,165,0,0,3,7,15,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0
"2,2,2-TRIFLUORO-N-METHYL-N-(TRIFLUOROACETYL)ACETAMIDE",000685-27-8,69635,"2,2,2-trifluoro-N-methyl-N-(2,2,2-trifluoroacetyl)acetamide",CN(C(=O)C(F)(F)F)C(=O)C(F)(F)F,"InChI=1S/C5H3F6NO2/c1-12(2(13)4(6,7)8)3(14)5(9,10)11/h1H3",AWGBWLXGUPTXHF-UHFFFAOYSA-N,C5H3F6NO2,223.07,223.0067973,1.7,37.4,228,0,0,8,0,14,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
5-HEXEN-1-AMINE,034825-70-2,533877,hex-5-en-1-amine,C=CCCCCN,"InChI=1S/C6H13N/c1-2-3-4-5-6-7/h2H,1,3-7H2",FICBXRYQMBKLJJ-UHFFFAOYSA-N,C6H13N,99.17,99.10479942,1.1,26,41,0,1,1,4,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
N-ETHYLHEPTYLAMINE,066793-76-8,48038,N-ethylheptan-1-amine,CCCCCCCNCC,"InChI=1S/C9H21N/c1-3-5-6-7-8-9-10-4-2/h10H,3-9H2,1-2H3",IUZZLNVABCISOI-UHFFFAOYSA-N,C9H21N,143.27,143.1673997,3,12,52,0,1,1,7,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
METHYL 2-CHLOROACRYLATE,000080-63-7,6659,methyl 2-chloroprop-2-enoate,COC(=O)C(=C)Cl,"InChI=1S/C4H5ClO2/c1-3(5)4(6)7-2/h1H2,2H3",AWJZTPWDQYFQPQ-UHFFFAOYSA-N,C4H5ClO2,120.53,119.9978071,1.5,26.3,97,0,0,2,2,7,,"126 °F at 51 mmHg (EPA, 1998)",0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 2-METHYL-, 2-PROPENYL ESTER",000096-05-9,7274,prop-2-enyl 2-methylprop-2-enoate,CC(=C)C(=O)OCC=C,"InChI=1S/C7H10O2/c1-4-5-9-7(8)6(2)3/h4H,1-2,5H2,3H3",FBCQUCJYYPMKRO-UHFFFAOYSA-N,C7H10O2,126.15,126.0680796,1.7,26.3,136,0,0,2,4,9,33.9 °C,150 °C,1,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, CHLORO-, 1-METHYLETHYL ESTER",000105-48-6,7759,propan-2-yl 2-chloroacetate,CC(C)OC(=O)CCl,"InChI=1S/C5H9ClO2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3",VODRWDBLLGYRJT-UHFFFAOYSA-N,C5H9ClO2,136.58,136.0291072,1.5,26.3,80,0,0,2,3,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,2-PROPANEDIAMINE, N1,N1-DIMETHYL-",000108-15-6,99027,"1-N,1-N-dimethylpropane-1,2-diamine",CC(CN(C)C)N,"InChI=1S/C5H14N2/c1-5(6)4-7(2)3/h5H,4,6H2,1-3H3",RRQHLOZQFPWDCA-UHFFFAOYSA-N,C5H14N2,102.18,102.1156985,-0.2,29.3,43,0,1,2,2,7,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"1,2-ETHANEDIAMINE, N-METHYL-",000109-81-9,8014,"N'-methylethane-1,2-diamine",CNCCN,"InChI=1S/C3H10N2/c1-5-3-2-4/h5H,2-4H2,1H3",KFIGICHILYTCJF-UHFFFAOYSA-N,C3H10N2,74.13,74.08439833,-1.1,38.1,14,0,2,2,2,5,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"FORMIC ACID, HEPTYL ESTER",000112-23-2,8169,heptyl formate,CCCCCCCOC=O,"InChI=1S/C8H16O2/c1-2-3-4-5-6-7-10-8-9/h8H,2-7H2,1H3",XEAMDSXSXYAICO-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,3,26.3,71,0,0,2,7,10,,177.00 to 178.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"1,2-ETHANEDIAMINE, N,N-BIS(1-METHYLETHYL)-",000121-05-1,8459,"N',N'-di(propan-2-yl)ethane-1,2-diamine",CC(C)N(CCN)C(C)C,"InChI=1S/C8H20N2/c1-7(2)10(6-5-9)8(3)4/h7-8H,5-6,9H2,1-4H3",CURJNMSGPBXOGK-UHFFFAOYSA-N,C8H20N2,144.26,144.1626486,0.9,29.3,71,0,1,2,4,10,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"ETHANAMINE, 2,2-DIMETHOXY-N-METHYL-",000122-07-6,8503,"2,2-dimethoxy-N-methylethanamine",CNCC(OC)OC,"InChI=1S/C5H13NO2/c1-6-4-5(7-2)8-3/h5-6H,4H2,1-3H3",HUMIEJNVCICTPJ-UHFFFAOYSA-N,C5H13NO2,119.16,119.0946287,-0.3,30.5,45,0,1,3,4,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-PROPANOL, 1-CHLORO-",000127-00-4,31370,1-chloropropan-2-ol,CC(CCl)O,"InChI=1S/C3H7ClO/c1-3(5)2-4/h3,5H,2H2,1H3",YYTSGNJTASLUOY-UHFFFAOYSA-N,C3H7ClO,94.54,94.0185425,0.6,20.2,22,0,1,1,1,5,"125 °F (NTP, 1992)","259 to 261 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2,2,2-TRIFLUORO-, SODIUM SALT",000420-87-1,23677971,"sodium 2,2,2-trifluoroethanolate",C(C(F)(F)F)[O-].[Na+],"InChI=1S/C2H2F3O.Na/c3-2(4,5)1-6;/h1H2;/q-1;+1",MSGMXYUAWZYTFC-UHFFFAOYSA-N,C2H2F3NaO,122.02,121.9955435,,23.1,42,0,0,4,0,7,,,0,1,1,0,0,0,0,1,1,0,0,0,0,1,0,0,1,0,0,0
"ETHANOL, 2,2,2-TRIFLUORO-1-METHOXY-",000431-46-9,9892,"2,2,2-trifluoro-1-methoxyethanol",COC(C(F)(F)F)O,"InChI=1S/C3H5F3O2/c1-8-2(7)3(4,5)6/h2,7H,1H3",GWTBCUWZAVMAQV-UHFFFAOYSA-N,C3H5F3O2,130.07,130.0241639,0.7,29.5,69,0,1,5,1,8,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, FLUORO-, ETHYL ESTER",000459-72-3,9988,ethyl 2-fluoroacetate,CCOC(=O)CF,"InChI=1S/C4H7FO2/c1-2-7-4(6)3-5/h2-3H2,1H3",VCYZVXRKYPKDQB-UHFFFAOYSA-N,C4H7FO2,106.1,106.0430076,0.9,26.3,62,0,0,3,3,7,,121.6 °C @ 758 MM HG,1,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2,4-HEPTANEDIONE, 1,1,1-TRIFLUORO-6-METHYL-",000461-92-7,68038,"1,1,1-trifluoro-6-methylheptane-2,4-dione",CC(C)CC(=O)CC(=O)C(F)(F)F,"InChI=1S/C8H11F3O2/c1-5(2)3-6(12)4-7(13)8(9,10)11/h5H,3-4H2,1-2H3",XWBVTGFPQXBNOZ-UHFFFAOYSA-N,C8H11F3O2,196.17,196.0711141,2.2,34.1,206,0,0,5,4,13,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"5-HEPTEN-2-AMINE, N,6-DIMETHYL-",000503-01-5,22297,"N,6-dimethylhept-5-en-2-amine",CC(CCC=C(C)C)NC,"InChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h6,9-10H,5,7H2,1-4H3",XVQUOJBERHHONY-UHFFFAOYSA-N,C9H19N,141.25,141.1517496,2.5,12,101,0,1,1,4,10,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-CHLORO-, ACETATE",000542-58-5,10959,2-chloroethyl acetate,CC(=O)OCCCl,"InChI=1S/C4H7ClO2/c1-4(6)7-3-2-5/h2-3H2,1H3",VIRWKAJWTKAIMA-UHFFFAOYSA-N,C4H7ClO2,122.55,122.0134572,0.7,26.3,62,0,0,2,3,7,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-HEPTANAMINE, 6-METHYL-",000543-82-8,10982,6-methylheptan-2-amine,CC(C)CCCC(C)N,"InChI=1S/C8H19N/c1-7(2)5-4-6-8(3)9/h7-8H,4-6,9H2,1-3H3",QNIVIMYXGGFTAK-UHFFFAOYSA-N,C8H19N,129.24,129.1517496,2.3,26,59,0,1,1,4,9,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-BUTANAMINE, 3-METHYL-N-(3-METHYLBUTYL)-",000544-00-3,10988,3-methyl-N-(3-methylbutyl)butan-1-amine,CC(C)CCNCCC(C)C,"InChI=1S/C10H23N/c1-9(2)5-7-11-8-6-10(3)4/h9-11H,5-8H2,1-4H3",SPVVMXMTSODFPU-UHFFFAOYSA-N,C10H23N,157.3,157.1830497,3.2,12,66,0,1,1,6,11,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"3-PENTEN-2-ONE, 3-METHYL-",000565-62-8,79048,3-methylpent-3-en-2-one,CC=C(C)C(=O)C,"InChI=1S/C6H10O/c1-4-5(2)6(3)7/h4H,1-3H3",ZAMCMCQRTZKGDX-UHFFFAOYSA-N,C6H10O,98.14,98.07316494,1.1,17.1,101,0,0,1,1,7,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-PENTENAL, 2-METHYL-",000623-36-9,12177,2-methylpent-2-enal,CCC=C(C)C=O,"InChI=1S/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3",IDEYZABHVQLHAF-UHFFFAOYSA-N,C6H10O,98.14,98.07316494,1.4,17.1,82,0,0,1,2,7,,,0,0,1,0,0,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0
"BUTANENITRILE, 3-METHYL-",000625-28-5,12244,3-methylbutanenitrile,CC(C)CC#N,"InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3",QHDRKFYEGYYIIK-UHFFFAOYSA-N,C5H9N,83.13,83.07349929,1.1,23.8,65,0,0,1,1,6,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-OCTANOL, 2-METHYL-",000628-44-4,69406,2-methyloctan-2-ol,CCCCCCC(C)(C)O,"InChI=1S/C9H20O/c1-4-5-6-7-8-9(2,3)10/h10H,4-8H2,1-3H3",KBCNUEXDHWDIFX-UHFFFAOYSA-N,C9H20O,144.25,144.1514153,3,20.2,76,0,1,1,5,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
PENTANOYL CHLORIDE,000638-29-9,61186,pentanoyl chloride,CCCCC(=O)Cl,"InChI=1S/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3",XGISHOFUAFNYQF-UHFFFAOYSA-N,C5H9ClO,120.58,120.0341926,2.4,17.1,61,0,0,1,3,7,,,0,0,1,0,0,0,1,1,1,0,0,1,0,0,0,0,1,0,0,0
"CARBONOCHLORIDIC ACID, PENTYL ESTER",000638-41-5,69489,pentyl carbonochloridate,CCCCCOC(=O)Cl,"InChI=1S/C6H11ClO2/c1-2-3-4-5-9-6(7)8/h2-5H2,1H3",XHRRYUDVWPPWIP-UHFFFAOYSA-N,C6H11ClO2,150.6,150.0447573,3,26.3,83,0,0,2,5,9,,,0,0,1,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0,0,0
"PHOSPHONOUS DICHLORIDE, METHYL-",000676-83-5,61194,dichloro(methyl)phosphane,CP(Cl)Cl,InChI=1S/CH3Cl2P/c1-4(2)3/h1H3,CDPKWOKGVUHZFR-UHFFFAOYSA-N,CH3Cl2P,116.91,115.9349425,1.5,0,13,0,0,0,0,4,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 2-PROPENYL ESTER",000999-55-3,13835,prop-2-enyl prop-2-enoate,C=CCOC(=O)C=C,"InChI=1S/C6H8O2/c1-3-5-8-6(7)4-2/h3-4H,1-2,5H2",QTECDUFMBMSHKR-UHFFFAOYSA-N,C6H8O2,112.13,112.0524295,1.4,26.3,105,0,0,2,4,8,"less than 69 °F (NTP, 1992)","252 to 255 °F at 760 mmHg (NTP, 1992)",0,1,1,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"SILANE, BROMOTRIETHYL-",001112-48-7,70680,bromo(triethyl)silane,CC[Si](CC)(CC)Br,"InChI=1S/C6H15BrSi/c1-4-8(7,5-2)6-3/h4-6H2,1-3H3",UCKORWKZRPKRQE-UHFFFAOYSA-N,C6H15BrSi,195.17,194.01264,,0,51,0,0,0,3,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"SILANE, TRICHLORO(DICHLOROMETHYL)-",001558-24-3,73786,trichloro(dichloromethyl)silane,C([Si](Cl)(Cl)Cl)(Cl)Cl,"InChI=1S/CHCl5Si/c2-1(3)7(4,5)6/h1H",LQUJCRPJNSUWKY-UHFFFAOYSA-N,CHCl5Si,218.4,217.826065,,0,53,0,0,0,0,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"SILANE, DICHLORO(DICHLOROMETHYL)METHYL-",001558-31-2,73787,dichloro-(dichloromethyl)-methylsilane,C[Si](C(Cl)Cl)(Cl)Cl,"InChI=1S/C2H4Cl4Si/c1-7(5,6)2(3)4/h2H,1H3",XMNYHTVOHRUIEH-UHFFFAOYSA-N,C2H4Cl4Si,197.9,197.880687,,0,60,0,0,0,1,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-METHOXY-1-PROPANOL,001589-47-5,14846,2-methoxypropan-1-ol,CC(CO)OC,"InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3",YTTFFPATQICAQN-UHFFFAOYSA-N,C4H10O2,90.12,90.06807956,-0.2,29.5,28,0,1,2,2,6,33 °C,130 °C,0,0,0,0,0,0,0,1,1,0,0,0,0,1,0,0,1,0,0,1
"SILANE, DICHLORODIETHYL-",001719-53-5,15589,dichloro(diethyl)silane,CC[Si](CC)(Cl)Cl,"InChI=1S/C4H10Cl2Si/c1-3-7(5,6)4-2/h3-4H2,1-2H3",BYLOHCRAPOSXLY-UHFFFAOYSA-N,C4H10Cl2Si,157.11,155.9928822,,0,47,0,0,0,2,7,"75.2 °F (NTP, 1992)","262 to 266 °F at 760 mmHg (decomposes) (NTP, 1992)",0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"1,9-DECADIYNE",001720-38-3,74400,"deca-1,9-diyne",C#CCCCCCCC#C,"InChI=1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h1-2H,5-10H2",ILVDYAGPHFWNQI-UHFFFAOYSA-N,C10H14,134.22,134.1095504,3.5,0,127,0,0,0,5,10,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"ETHANE, 1-CHLORO-2-ISOCYANATO-",001943-83-5,16035,1-chloro-2-isocyanatoethane,C(CCl)N=C=O,InChI=1S/C3H4ClNO/c4-1-2-5-3-6/h1-2H2,BCMYXYHEMGPZJN-UHFFFAOYSA-N,C3H4ClNO,105.52,104.9981414,1.6,29.4,67,0,0,2,2,6,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,1,0,1,0,0,1
"HEXANE, 1,2-DICHLORO-",002162-92-7,16550,"1,2-dichlorohexane",CCCCC(CCl)Cl,"InChI=1S/C6H12Cl2/c1-2-3-4-6(8)5-7/h6H,2-5H2,1H3",ZHFXSKJYCSWRJA-UHFFFAOYSA-N,C6H12Cl2,155.06,154.0316058,3.3,0,45,0,0,0,4,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"SILANE, (CHLOROMETHYL)DIETHOXYMETHYL-",002212-10-4,16650,chloromethyl-diethoxy-methylsilane,CCO[Si](C)(CCl)OCC,"InChI=1S/C6H15ClO2Si/c1-4-8-10(3,6-7)9-5-2/h4-6H2,1-3H3",XGLLBUISUZEUMW-UHFFFAOYSA-N,C6H15ClO2Si,182.72,182.0529839,,18.5,83,0,0,2,5,10,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-PROPENE, 3,3,3-TRICHLORO-",002233-00-3,16690,"3,3,3-trichloroprop-1-ene",C=CC(Cl)(Cl)Cl,"InChI=1S/C3H3Cl3/c1-2-3(4,5)6/h2H,1H2",VKEIPALYOJMDAC-UHFFFAOYSA-N,C3H3Cl3,145.41,143.930033,2.7,0,51,0,0,0,0,6,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-BUTANOL, SODIUM SALT",002372-45-4,23669364,sodium butan-1-olate,CCCC[O-].[Na+],"InChI=1S/C4H9O.Na/c1-2-3-4-5;/h2-4H2,1H3;/q-1;+1",SYXYWTXQFUUWLP-UHFFFAOYSA-N,C4H9NaO,96.1,96.05510919,,23.1,17,0,0,1,2,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"BUTANEDIOIC ACID, SULFO-, 1,4-BIS(1,3-DIMETHYLBUTYL) ESTER, SODIUM SALT",002373-38-8,23676187,"sodium 1,4-bis(4-methylpentan-2-yloxy)-1,4-dioxobutane-2-sulfonate",CC(C)CC(C)OC(=O)CC(C(=O)OC(C)CC(C)C)S(=O)(=O)[O-].[Na+],"InChI=1S/C16H30O7S.Na/c1-10(2)7-12(5)22-15(17)9-14(24(19,20)21)16(18)23-13(6)8-11(3)4;/h10-14H,7-9H2,1-6H3,(H,19,20,21);/q;+1/p-1",BTJYKXPSPBJJDQ-UHFFFAOYSA-M,C16H29NaO7S,388.5,388.1531687,,118,511,0,0,7,12,25,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, CHLORO-, ETHENYL ESTER",002549-51-1,82156,ethenyl 2-chloroacetate,C=COC(=O)CCl,"InChI=1S/C4H5ClO2/c1-2-7-4(6)3-5/h2H,1,3H2",XJELOQYISYPGDX-UHFFFAOYSA-N,C4H5ClO2,120.53,119.9978071,1.2,26.3,79,0,0,2,3,7,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"1-PROPANAMINE, 3-(1-METHYLETHOXY)-",002906-12-9,76194,3-propan-2-yloxypropan-1-amine,CC(C)OCCCN,"InChI=1S/C6H15NO/c1-6(2)8-5-3-4-7/h6H,3-5,7H2,1-2H3",VHYUNSUGCNKWSO-UHFFFAOYSA-N,C6H15NO,117.19,117.1153641,0.3,35.3,45,0,1,2,4,8,,,0,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,1
"ACETONITRILE, (DIETHYLAMINO)-",003010-02-4,44983,2-(diethylamino)acetonitrile,CCN(CC)CC#N,"InChI=1S/C6H12N2/c1-3-8(4-2)6-5-7/h3-4,6H2,1-2H3",LVPZSMIBSMMLPI-UHFFFAOYSA-N,C6H12N2,112.17,112.1000484,0.8,27,85,0,0,2,3,8,,,0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0
"Acetonitrile, dichloro-",003018-12-0,18177,"2,2-dichloroacetonitrile",C(#N)C(Cl)Cl,InChI=1S/C2HCl2N/c3-2(4)1-5/h2H,STZZWJCGRKXEFF-UHFFFAOYSA-N,C2HCl2N,109.94,108.9486044,1.3,23.8,59,0,0,1,0,5,"greater than 212 °F (NTP, 1992)","234 to 235 °F at 760 mmHg (decomposes) (NTP, 1992)",0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"1,3-PROPANEDIAMINE, N-(1-METHYLETHYL)-",003360-16-5,76888,"N'-propan-2-ylpropane-1,3-diamine",CC(C)NCCCN,"InChI=1S/C6H16N2/c1-6(2)8-5-3-4-7/h6,8H,3-5,7H2,1-2H3",KFDIDIIKNMZLRZ-UHFFFAOYSA-N,C6H16N2,116.2,116.1313485,0,38.1,43,0,2,2,4,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"1-BUTANAMINE, N-BUTYL-N-METHYL-",003405-45-6,18855,N-butyl-N-methylbutan-1-amine,CCCCN(C)CCCC,"InChI=1S/C9H21N/c1-4-6-8-10(3)9-7-5-2/h4-9H2,1-3H3",MTHFROHDIWGWFD-UHFFFAOYSA-N,C9H21N,143.27,143.1673997,3,3.2,53,0,0,1,6,10,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"HYDROPEROXIDE, 1,1-DIMETHYLPROPYL",003425-61-4,76962,2-hydroperoxy-2-methylbutane,CCC(C)(C)OO,"InChI=1S/C5H12O2/c1-4-5(2,3)7-6/h6H,4H2,1-3H3",XRXANEMIFVRKLN-UHFFFAOYSA-N,C5H12O2,104.15,104.0837296,1.1,29.5,50,0,1,2,2,7,,,0,1,1,1,0,0,1,1,1,0,0,0,1,0,0,1,1,1,0,0
1-HEPTEN-4-OL,003521-91-3,19040,hept-1-en-4-ol,CCCC(CC=C)O,"InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3,7-8H,1,4-6H2,2H3",AQTUHJABKZECGA-UHFFFAOYSA-N,C7H14O,114.19,114.1044651,2,20.2,59,0,1,1,4,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"SILANE, DICHLORODI-2-PROPENYL-",003651-23-8,19288,dichloro-bis(prop-2-enyl)silane,C=CC[Si](CC=C)(Cl)Cl,"InChI=1S/C6H10Cl2Si/c1-3-5-9(7,8)6-4-2/h3-4H,1-2,5-6H2",VTEHVUWHCBXMPI-UHFFFAOYSA-N,C6H10Cl2Si,181.13,179.9928822,,0,97,0,0,0,4,9,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"ETHANE, 1-(CHLOROMETHOXY)-2-METHOXY-",003970-21-6,77590,1-(chloromethoxy)-2-methoxyethane,COCCOCCl,"InChI=1S/C4H9ClO2/c1-6-2-3-7-4-5/h2-4H2,1H3",BIAAQBNMRITRDV-UHFFFAOYSA-N,C4H9ClO2,124.56,124.0291072,0.6,18.5,32,0,0,2,4,7,,,0,0,0,1,0,1,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"DISILANE, 1,2-DICHLORO-1,1,2,2-TETRAMETHYL-",004342-61-4,78045,chloro-[chloro(dimethyl)silyl]-dimethylsilane,C[Si](C)([Si](C)(C)Cl)Cl,"InChI=1S/C4H12Cl2Si2/c1-7(2,5)8(3,4)6/h1-4H3",SFAZXBAPWCPIER-UHFFFAOYSA-N,C4H12Cl2Si2,187.21,185.9854588,,0,78,0,0,0,1,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"ETHANOL, 2-(2-METHYLPROPOXY)-",004439-24-1,521158,2-(2-methylpropoxy)ethanol,CC(C)COCCO,"InChI=1S/C6H14O2/c1-6(2)5-8-4-3-7/h6-7H,3-5H2,1-2H3",HHAPGMVKBLELOE-UHFFFAOYSA-N,C6H14O2,118.17,118.0993797,0.7,29.5,43,0,1,2,4,8,,,0,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,1,0
"DISILANE, 1,1,2,2-TETRACHLORO-1,2-DIMETHYL-",004518-98-3,78276,dichloro-[dichloro(methyl)silyl]-methylsilane,C[Si]([Si](C)(Cl)Cl)(Cl)Cl,"InChI=1S/C2H6Cl4Si2/c1-7(3,4)8(2,5)6/h1-2H3",JTBAMRDUGCDKMS-UHFFFAOYSA-N,C2H6Cl4Si2,228,227.873264,,0,78,0,0,0,1,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"1-BUTANAMINE, N-BUTYLIDENE-",004853-56-9,94840,N-butylbutan-1-imine,CCCCN=CCCC,"InChI=1S/C8H17N/c1-3-5-7-9-8-6-4-2/h7H,3-6,8H2,1-2H3",GMYLJUMIAPOWOO-UHFFFAOYSA-N,C8H17N,127.23,127.1360995,1.9,12.4,67,0,0,1,5,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"PROPANOIC ACID, 2-BROMO-, METHYL ESTER",005445-17-0,95576,methyl 2-bromopropanoate,CC(C(=O)OC)Br,"InChI=1S/C4H7BrO2/c1-3(5)4(6)7-2/h3H,1-2H3",ACEONLNNWKIPTM-UHFFFAOYSA-N,C4H7BrO2,167,165.96294,1.3,26.3,72,0,0,2,2,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"HYDROPEROXIDE, 1,1,3,3-TETRAMETHYLBUTYL",005809-08-5,79877,"2-hydroperoxy-2,4,4-trimethylpentane",CC(C)(C)CC(C)(C)OO,"InChI=1S/C8H18O2/c1-7(2,3)6-8(4,5)10-9/h9H,6H2,1-5H3",MIRQGKQPLPBZQM-UHFFFAOYSA-N,C8H18O2,146.23,146.1306798,2.3,29.5,100,0,1,2,3,10,,,0,0,1,1,0,0,1,1,1,0,0,0,1,0,0,1,1,1,0,0
"2-PROPANONE, 1-METHOXY-",005878-19-3,22172,1-methoxypropan-2-one,CC(=O)COC,"InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3",CUZLJOLBIRPEFB-UHFFFAOYSA-N,C4H8O2,88.11,88.05242949,-0.2,26.3,49,0,0,2,2,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"1-PROPANAMINE, 3-ETHOXY-",006291-85-6,22720,3-ethoxypropan-1-amine,CCOCCCN,"InChI=1S/C5H13NO/c1-2-7-5-3-4-6/h2-6H2,1H3",SOYBEXQHNURCGE-UHFFFAOYSA-N,C5H13NO,103.16,103.099714,-0.1,35.3,31,0,1,2,4,7,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"1-PROPANOL, 2-(DIMETHYLAMINO)-2-METHYL-",007005-47-2,23435,2-(dimethylamino)-2-methylpropan-1-ol,CC(C)(CO)N(C)C,"InChI=1S/C6H15NO/c1-6(2,5-8)7(3)4/h8H,5H2,1-4H3",XRIBIDPMFSLGFS-UHFFFAOYSA-N,C6H15NO,117.19,117.1153641,0.2,23.5,68,0,1,2,2,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"HEXANOIC ACID, 2-ETHYL-, IRON(3+) SALT",007321-53-1,110963,tris(2-ethylhexanoate);iron(3+),CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Fe+3],"InChI=1S/3C8H16O2.Fe/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3",ULUYRVWYCIOFRV-UHFFFAOYSA-K,C24H45FeO6,485.5,485.25655,,120,93,0,0,6,12,31,,,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0
"1-PROPANOL, 2-METHYL-, TITANIUM(4+) SALT",007425-80-1,165601,tetrakis(2-methylpropan-1-olate);titanium(4+),CC(C)C[O-].CC(C)C[O-].CC(C)C[O-].CC(C)C[O-].[Ti+4],"InChI=1S/4C4H9O.Ti/c4*1-4(2)3-5;/h4*4H,3H2,1-2H3;/q4*-1;+4",QUVMSYUGOKEMPX-UHFFFAOYSA-N,C16H36O4Ti,340.32,340.2093003,,92.2,17,0,0,4,4,21,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-METHYL-N-(TRIMETHYLSILYL)-",007449-74-3,81953,N-methyl-N-trimethylsilylacetamide,CC(=O)N(C)[Si](C)(C)C,"InChI=1S/C6H15NOSi/c1-6(8)7(2)9(3,4)5/h1-5H3",QHUOBLDKFGCVCG-UHFFFAOYSA-N,C6H15NOSi,145.27,145.0922906,,20.3,117,0,0,1,1,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,1,0,0,1,0,0,1
"2-PROPANAMINE, 2-METHYL-N-(1-METHYLETHYL)-",007515-80-2,82023,2-methyl-N-propan-2-ylpropan-2-amine,CC(C)NC(C)(C)C,"InChI=1S/C7H17N/c1-6(2)8-7(3,4)5/h6,8H,1-5H3",ZWXQPERWRDHCMZ-UHFFFAOYSA-N,C7H17N,115.22,115.1360995,1.6,12,59,0,1,1,2,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"SILANE, BUTYLTRICHLORO-",007521-80-4,24142,butyl(trichloro)silane,CCCC[Si](Cl)(Cl)Cl,"InChI=1S/C4H9Cl3Si/c1-2-3-4-8(5,6)7/h2-4H2,1H3",FQEKAFQSVPLXON-UHFFFAOYSA-N,C4H9Cl3Si,191.55,189.95391,,0,58,0,0,0,2,8,"126 °F (USCG, 1999)","288 °F at 760 mmHg (USCG, 1999)",0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"SILANAMINE, 1-ETHENYL-N-(ETHENYLDIMETHYLSILYL)-1,1-DIMETHYL-",007691-02-3,82126,[[[ethenyl(dimethyl)silyl]amino]-dimethylsilyl]ethene,C[Si](C)(C=C)N[Si](C)(C)C=C,"InChI=1S/C8H19NSi2/c1-7-10(3,4)9-11(5,6)8-2/h7-9H,1-2H2,3-6H3",WYUIWUCVZCRTRH-UHFFFAOYSA-N,C8H19NSi2,185.41,185.1056027,,12,143,0,1,1,4,11,,,0,1,1,1,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
"SILANE, DICHLORO(2-CHLOROETHYL)METHYL-",007787-85-1,82234,dichloro-(2-chloroethyl)-methylsilane,C[Si](CCCl)(Cl)Cl,"InChI=1S/C3H7Cl3Si/c1-7(5,6)3-2-4/h2-3H2,1H3",DBWSTBGNSJEPFT-UHFFFAOYSA-N,C3H7Cl3Si,177.53,175.93826,,0,54,0,0,0,2,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"SILANE, DICHLORO(3-CHLOROPROPYL)METHYL-",007787-93-1,82235,dichloro-(3-chloropropyl)-methylsilane,C[Si](CCCCl)(Cl)Cl,"InChI=1S/C4H9Cl3Si/c1-8(6,7)4-2-3-5/h2-4H2,1H3",UCJHMXXKIKBHQP-UHFFFAOYSA-N,C4H9Cl3Si,191.55,189.95391,,0,64,0,0,0,3,8,,,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
2-BUTENOYL CHLORIDE,010487-71-5,79080,but-2-enoyl chloride,CC=CC(=O)Cl,"InChI=1S/C4H5ClO/c1-2-3-4(5)6/h2-3H,1H3",RJUIDDKTATZJFE-UHFFFAOYSA-N,C4H5ClO,104.53,104.0028925,1.6,17.1,75,0,0,1,1,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"SILANE, (CHLOROMETHYL)ETHOXYDIMETHYL-",013508-53-7,26073,chloromethyl-ethoxy-dimethylsilane,CCO[Si](C)(C)CCl,"InChI=1S/C5H13ClOSi/c1-4-7-8(2,3)5-6/h4-5H2,1-3H3",IGMQAYXTTRYCPZ-UHFFFAOYSA-N,C5H13ClOSi,152.69,152.0424193,,9.2,65,0,0,1,3,8,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"DISILANE, 1,1,2-TRICHLORO-1,2,2-TRIMETHYL-",013528-88-6,83551,dichloro-[chloro(dimethyl)silyl]-methylsilane,C[Si](C)([Si](C)(Cl)Cl)Cl,"InChI=1S/C3H9Cl3Si2/c1-7(2,4)8(3,5)6/h1-3H3",KTPJDYNQZVAFBU-UHFFFAOYSA-N,C3H9Cl3Si2,207.63,205.930836,,0,90,0,0,0,1,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"GUANIDINE, DODECYL-, MONOHYDROCHLORIDE",013590-97-1,61649,2-dodecylguanidine;hydrochloride,CCCCCCCCCCCCN=C(N)N.Cl,"InChI=1S/C13H29N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;/h2-12H2,1H3,(H4,14,15,16);1H",CGMKPKRNUNDACU-UHFFFAOYSA-N,C13H30ClN3,263.85,263.2128257,,64.4,163,0,3,1,11,17,,,1,0,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
"SILANE, (3-BROMOPROPYL)TRICHLORO-",013883-39-1,83792,3-bromopropyl(trichloro)silane,C(C[Si](Cl)(Cl)Cl)CBr,"InChI=1S/C3H6BrCl3Si/c4-2-1-3-8(5,6)7/h1-3H2",UUNGBOQAZQUJMZ-UHFFFAOYSA-N,C3H6BrCl3Si,256.42,253.84877,,0,62,0,0,0,2,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"1-PROPANAMINE, 3-(TRIDECYLOXY)-",014676-61-0,84589,3-tridecoxypropan-1-amine,CCCCCCCCCCCCCOCCCN,"InChI=1S/C16H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17/h2-17H2,1H3",JPNCZSADMGXVPA-UHFFFAOYSA-N,C16H35NO,257.45,257.2718647,5.6,35.3,139,0,1,2,15,18,,,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
"1-PROPANOL, 2-(DIMETHYLAMINO)-",015521-18-3,85865,2-(dimethylamino)propan-1-ol,CC(CO)N(C)C,"InChI=1S/C5H13NO/c1-5(4-7)6(2)3/h5,7H,4H2,1-3H3",PBKGYWLWIJLDGZ-UHFFFAOYSA-N,C5H13NO,103.16,103.099714,0,23.5,45,0,1,2,2,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"CARBONOCHLORIDIC ACID, 1-METHYLPROPYL ESTER",017462-58-7,11829505,butan-2-yl carbonochloridate,CCC(C)OC(=O)Cl,"InChI=1S/C5H9ClO2/c1-3-4(2)8-5(6)7/h4H,3H2,1-2H3",YSMHTFWPDRJCMN-UHFFFAOYSA-N,C5H9ClO2,136.58,136.0291072,2.8,26.3,82,0,0,2,3,8,,,0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"SILANE, DICHLORO(1,1-DIMETHYLETHYL)METHYL-",018147-18-7,87473,tert-butyl-dichloro-methylsilane,CC(C)(C)[Si](C)(Cl)Cl,"InChI=1S/C5H12Cl2Si/c1-5(2,3)8(4,6)7/h1-4H3",CAJIIZKPZKCXOG-UHFFFAOYSA-N,C5H12Cl2Si,171.14,170.0085323,,0,82,0,0,0,1,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"SILANE, CHLORO(DICHLOROMETHYL)DIMETHYL-",018171-59-0,87493,chloro-(dichloromethyl)-dimethylsilane,C[Si](C)(C(Cl)Cl)Cl,"InChI=1S/C3H7Cl3Si/c1-7(2,6)3(4)5/h3H,1-2H3",OICVMMJHLFRGHF-UHFFFAOYSA-N,C3H7Cl3Si,177.53,175.93826,,0,61,0,0,0,1,7,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"1-PROPANOL, 3-(DIMETHYLAMINO)-2,2-DIMETHYL-",019059-68-8,87919,"3-(dimethylamino)-2,2-dimethylpropan-1-ol",CC(C)(CN(C)C)CO,"InChI=1S/C7H17NO/c1-7(2,6-9)5-8(3)4/h9H,5-6H2,1-4H3",PYEWZDAEJUUIJX-UHFFFAOYSA-N,C7H17NO,131.22,131.1310142,0.8,23.5,79,0,1,2,3,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"2-BUTENAL, 2-ETHYL-",019780-25-7,5362897,(E)-2-ethylbut-2-enal,CC/C(=C\C)/C=O,"InChI=1S/C6H10O/c1-3-6(4-2)5-7/h3,5H,4H2,1-2H3/b6-3+",IQGZCSXWIRBTRW-ZZXKWVIFSA-N,C6H10O,98.14,98.07316494,1.4,17.1,82,0,0,1,2,7,,,0,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
5-HEXYN-3-OL,019780-84-8,89223,hex-5-yn-3-ol,CCC(CC#C)O,"InChI=1S/C6H10O/c1-3-5-6(7)4-2/h1,6-7H,4-5H2,2H3",AJYGRAORQSCNED-UHFFFAOYSA-N,C6H10O,98.14,98.07316494,1.1,20.2,77,0,1,1,2,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"2-BUTANONE, 4-(DIMETHYLAMINO)-3-METHYL-",022104-62-7,90732,4-(dimethylamino)-3-methylbutan-2-one,CC(CN(C)C)C(=O)C,"InChI=1S/C7H15NO/c1-6(7(2)9)5-8(3)4/h6H,5H2,1-4H3",SDABKFFSTRDBBD-UHFFFAOYSA-N,C7H15NO,129.2,129.1153641,0.5,20.3,99,0,0,2,3,9,,,0,1,0,1,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
"2-PENTENENITRILE, (Z)-",025899-50-7,6433944,(Z)-pent-2-enenitrile,CC/C=C\C#N,"InChI=1S/C5H7N/c1-2-3-4-5-6/h3-4H,2H2,1H3/b4-3-",ISBHMJZRKAFTGE-ARJAWSKDSA-N,C5H7N,81.12,81.05784923,1.2,23.8,83,0,0,1,1,6,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0
3-HEPTANAMINE,028292-42-4,34203,heptan-3-amine,CCCCC(CC)N,"InChI=1S/C7H17N/c1-3-5-6-7(8)4-2/h7H,3-6,8H2,1-2H3",SRMHHEPXZLWKOK-UHFFFAOYSA-N,C7H17N,115.22,115.1360995,2,26,43,0,1,1,4,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"2-HEXANAMINE, 5-METHYL-",028292-43-5,34204,5-methylhexan-2-amine,CC(C)CCC(C)N,"InChI=1S/C7H17N/c1-6(2)4-5-7(3)8/h6-7H,4-5,8H2,1-3H3",IZCBXLKODYZSDJ-UHFFFAOYSA-N,C7H17N,115.22,115.1360995,1.8,26,50,0,1,1,3,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"PROPANE, 1-(CHLOROMETHOXY)-2-METHYL-",034180-11-5,118609,1-(chloromethoxy)-2-methylpropane,CC(C)COCCl,"InChI=1S/C5H11ClO/c1-5(2)3-7-4-6/h5H,3-4H2,1-2H3",RRRBNCDKPVHUNU-UHFFFAOYSA-N,C5H11ClO,122.59,122.0498427,2.1,9.2,37,0,0,1,3,7,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"1-PENTANOL, 5-BROMO-",034626-51-2,118709,5-bromopentan-1-ol,C(CCO)CCBr,"InChI=1S/C5H11BrO/c6-4-2-1-3-5-7/h7H,1-5H2",WJVQJXVMLRGNGA-UHFFFAOYSA-N,C5H11BrO,167.04,165.99933,1.4,20.2,31,0,1,1,4,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"PENTANOYL CHLORIDE, 4-METHYL-",038136-29-7,170008,4-methylpentanoyl chloride,CC(C)CCC(=O)Cl,"InChI=1S/C6H11ClO/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3",SVWCVXFHTHCJJB-UHFFFAOYSA-N,C6H11ClO,134.6,134.0498427,2.4,17.1,78,0,0,1,3,8,,,0,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,1,0,0,0
"1,3-PROPANEDIAMINE, N,N,2,2-TETRAMETHYL-",053369-71-4,104477,"N',N',2,2-tetramethylpropane-1,3-diamine",CC(C)(CN)CN(C)C,"InChI=1S/C7H18N2/c1-7(2,5-8)6-9(3)4/h5-6,8H2,1-4H3",ULDIVZQLPBUHAG-UHFFFAOYSA-N,C7H18N2,130.23,130.1469986,0.5,29.3,77,0,1,2,3,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"BUTANOIC ACID, 3,3-BIS[(1,1-DIMETHYLPROPYL)DIOXY]-, ETHYL ESTER",067567-23-1,105436,"ethyl 3,3-bis(2-methylbutan-2-ylperoxy)butanoate",CCC(C)(C)OOC(C)(CC(=O)OCC)OOC(C)(C)CC,"InChI=1S/C16H32O6/c1-9-14(4,5)19-21-16(8,12-13(17)18-11-3)22-20-15(6,7)10-2/h9-12H2,1-8H3",NICWAKGKDIAMOD-UHFFFAOYSA-N,C16H32O6,320.42,320.2198887,3.6,63.2,318,0,0,6,12,22,,,0,0,0,0,0,0,1,0,1,0,0,0,1,0,0,1,0,0,0,0
"BUTANOIC ACID, 2-HYDROXY-2-METHYL-, ETHYL ESTER, (.+-.)-",072332-34-4,101536,ethyl 2-hydroxy-2-methylbutanoate,CCC(C)(C(=O)OCC)O,"InChI=1S/C7H14O3/c1-4-7(3,9)6(8)10-5-2/h9H,4-5H2,1-3H3",KIYWRWLZHQZKKD-UHFFFAOYSA-N,C7H14O3,146.18,146.0942943,0.9,46.5,122,0,1,3,4,10,,,0,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"19-ISOCYANATO-11-(6-ISOCYANATOHEXYL)-2,9,11,13-TETRAAZANONADECANETHIOIC ACID",085702-90-5,174502,S-(3-trimethoxysilylpropyl) N-[6-[[6-isocyanatohexyl(6-isocyanatohexylcarbamoyl)carbamoyl]amino]hexyl]carbamothioate,CO[Si](CCCSC(=O)NCCCCCCNC(=O)N(CCCCCCN=C=O)C(=O)NCCCCCCN=C=O)(OC)OC,"InChI=1S/C29H54N6O8SSi/c1-41-45(42-2,43-3)24-16-23-44-29(40)34-21-14-7-6-13-20-33-28(39)35(22-15-9-8-11-18-31-26-37)27(38)32-19-12-5-4-10-17-30-25-36/h4-24H2,1-3H3,(H,32,38)(H,33,39)(H,34,40)",IUUDMTXXKNFQGD-UHFFFAOYSA-N,C29H54N6O8SSi,674.9,674.3493104,,202,894,0,3,11,29,45,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0
"2-PROPANOL, 1-METHOXY-, PROPANOATE",148462-57-1,11008049,1-methoxypropan-2-yl propanoate,CCC(=O)OC(C)COC,"InChI=1S/C7H14O3/c1-4-7(8)10-6(2)5-9-3/h6H,4-5H2,1-3H3",DOVZUKKPYKRVIK-UHFFFAOYSA-N,C7H14O3,146.18,146.0942943,0.9,35.5,101,0,0,3,5,10,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
LITHIUM CYANIDE,002408-36-8,75478,lithium cyanide,[Li+].[C-]#N,InChI=1S/CN.Li/c1-2;/q-1;+1,JORQDGTZGKHEEO-UHFFFAOYSA-N,CLiN,33,33.01907744,,23.8,12,0,0,2,0,3,,,1,1,1,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
ISOPARAFFINIC HYDROCARBON (C9-12 ISOALKANES),090622-57-4,23415,2-methyldecane,CCCCCCCCC(C)C,"InChI=1S/C11H24/c1-4-5-6-7-8-9-10-11(2)3/h11H,4-10H2,1-3H3",CNPVJWYWYZMPDS-UHFFFAOYSA-N,C11H24,156.31,156.1878008,5.9,0,64,0,0,0,7,11,,189.30 °C. @ 760.00 mm Hg,0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
CERIUM METHOXYETHOXIDE,876107-33-4,21200429,cerium(4+);tetrakis(2-methoxyethanolate),COCC[O-].COCC[O-].COCC[O-].COCC[O-].[Ce+4],"InChI=1S/4C3H7O2.Ce/c4*1-5-3-2-4;/h4*2-3H2,1H3;/q4*-1;+4",JRRALIVAHBLZSS-UHFFFAOYSA-N,C12H28CeO8,440.46,440.08387,,129,14,0,0,8,8,21,,,0,1,1,1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0
BITTER ORANGE FLOWER EXTRACT (TECHNICAL GRADE),008028-48-6,62161,"2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal",CC(=CCCC(=C)C=C)CCC=C(C)C=O,"InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-12H,1-2,6-8,10H2,3-4H3",NOPLRNXKHZRXHT-UHFFFAOYSA-N,C15H22O,218.33,218.1670653,4.8,17.1,305,0,0,1,8,16,,,0,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,1,1,0,0
STARBURST (PAMAM) DENDRIMER GENERATION,155773-72-1,4140276,N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethyl]amino]propanamide,C(CN(CCC(=O)NCCN)CCN(CCC(=O)NCCN)CCC(=O)NCCN)C(=O)NCCN,"InChI=1S/C22H48N10O4/c23-5-9-27-19(33)1-13-31(14-2-20(34)28-10-6-24)17-18-32(15-3-21(35)29-11-7-25)16-4-22(36)30-12-8-26/h1-18,23-26H2,(H,27,33)(H,28,34)(H,29,35)(H,30,36)",SENLDUJVTGGYIH-UHFFFAOYSA-N,C22H48N10O4,516.7,516.3860001,-6.5,227,524,0,8,10,23,36,,,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"3,3-DIMETHYLHEPTANE",004032-86-4,520991,"3,3-dimethylheptane",CCCCC(C)(C)CC,"InChI=1S/C9H20/c1-5-7-8-9(3,4)6-2/h5-8H2,1-4H3",BVAKDOXCVSMKHE-UHFFFAOYSA-N,C9H20,128.25,128.1565006,4.7,0,62,0,0,0,4,9,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"3,3-DIMETHYLOCTANE",004110-44-5,138117,"3,3-dimethyloctane",CCCCCC(C)(C)CC,"InChI=1S/C10H22/c1-5-7-8-9-10(3,4)6-2/h5-9H2,1-4H3",DBULLUBYDONGLT-UHFFFAOYSA-N,C10H22,142.28,142.1721507,5.2,0,72,0,0,0,5,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,3-DIMETHYLHEPTANE",003074-71-3,26375,"2,3-dimethylheptane",CCCCC(C)C(C)C,"InChI=1S/C9H20/c1-5-6-7-9(4)8(2)3/h8-9H,5-7H2,1-4H3",WBRFDUJXCLCKPX-UHFFFAOYSA-N,C9H20,128.25,128.1565006,4.5,0,55,0,0,0,4,9,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"N,N,N',N'-TETRAMETHYL-1,3-BUTANEDIAMINE",000097-84-7,7350,"1-N,1-N,3-N,3-N-tetramethylbutane-1,3-diamine",CC(CCN(C)C)N(C)C,"InChI=1S/C8H20N2/c1-8(10(4)5)6-7-9(2)3/h8H,6-7H2,1-5H3",AXFVIWBTKYFOCY-UHFFFAOYSA-N,C8H20N2,144.26,144.1626486,1.1,6.5,79,0,0,2,4,10,"114 °F (NTP, 1992)","329 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
2-(2-BUTOXYETHOXY)ETHYL THIOCYANATE,000112-56-1,8196,2-(2-butoxyethoxy)ethyl thiocyanate,CCCCOCCOCCSC#N,"InChI=1S/C9H17NO2S/c1-2-3-4-11-5-6-12-7-8-13-9-10/h2-8H2,1H3",JVGPVVUTUMQJKL-UHFFFAOYSA-N,C9H17NO2S,203.3,203.098,1.7,67.6,144,0,0,4,9,13,125 °F CC,"248 to 257 °F at 0.25 mmHg (NTP, 1992)",0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,1'-TELLUROBISETHANE",000627-54-3,69394,ethyltellanylethane,CC[Te]CC,"InChI=1S/C4H10Te/c1-3-5-4-2/h3-4H2,1-2H3",ILXWFJOFKUNZJA-UHFFFAOYSA-N,C4H10Te,185.7,187.9844731,,0,11,0,0,0,2,5,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
4-ETHYLHEPTANE,002216-32-2,16663,4-ethylheptane,CCCC(CC)CCC,"InChI=1S/C9H20/c1-4-7-9(6-3)8-5-2/h9H,4-8H2,1-3H3",XMROPFQWHHUFFS-UHFFFAOYSA-N,C9H20,128.25,128.1565006,4.8,0,42,0,0,0,5,9,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
HYDRAZINE-D4 MONODEUTERATE,,16217612,"deuterated water;1,1,2,2-tetradeuteriohydrazine",[2H]N([2H])N([2H])[2H].[2H]O[2H],InChI=1S/H4N2.H2O/c1-2;/h1-2H2;1H2/i/hD6,IKDUDTNKRLTJSI-YIKVAAQNSA-N,H6N2O,56.098,56.0856733,,53,0,0,3,3,0,3,,,1,1,1,1,0,1,1,0,1,0,0,0,0,0,1,0,1,1,0,0
COBALT (II) 2-METHOXYETHOXIDE,,22600163,cobalt(2+);bis(2-methoxyethanolate),COCC[O-].COCC[O-].[Co+2],"InChI=1S/2C3H7O2.Co/c2*1-5-3-2-4;/h2*2-3H2,1H3;/q2*-1;+2",BFBNUELICQBJBC-UHFFFAOYSA-N,C6H14CoO4,209.11,209.022402,,64.6,14,0,0,4,4,11,,,0,1,1,1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0
NITROMETHANE,000075-52-5,6375,nitromethane,C[N+](=O)[O-],InChI=1S/CH3NO2/c1-2(3)4/h1H3,LYGJENNIWJXYER-UHFFFAOYSA-N,CH3NO2,61.04,61.01637834,0.1,45.8,27,0,0,2,0,4,"95 °F (NTP, 1992)","214.2 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
SEC-BUTYL ALCOHOL,000078-92-2,6568,butan-2-ol,CCC(C)O,"InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3",BTANRVKWQNVYAZ-UHFFFAOYSA-N,C4H10O,74.12,74.07316494,0.6,20.2,19,0,1,1,1,5,"75 °F (NIOSH, 2024)","211 °F at 760 mmHg (NIOSH, 2024)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
ETHYL CARBONATE,000105-58-8,7766,diethyl carbonate,CCOC(=O)OCC,"InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3",OIFBSDVPJOWBCH-UHFFFAOYSA-N,C5H10O3,118.13,118.0629942,1.2,35.5,62,0,0,3,4,8,"77 °F (NTP, 1992)","259 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
METHYL N-AMYL KETONE,000110-43-0,8051,heptan-2-one,CCCCCC(=O)C,"InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3",CATSNJVOTSVZJV-UHFFFAOYSA-N,C7H14O,114.19,114.1044651,2,17.1,66,0,0,1,4,8,"102 °F (USCG, 1999)","300 °F at 760 mmHg (USCG, 1999)",0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
MESITYL OXIDE,000141-79-7,8858,4-methylpent-3-en-2-one,CC(=CC(=O)C)C,"InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3",SHOJXDKTYKFBRD-UHFFFAOYSA-N,C6H10O,98.14,98.07316494,1.4,17.1,96,0,0,1,1,7,"73 °F (USCG, 1999)","266 °F at 760 mmHg (USCG, 1999)",0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
ISOPROPYL IODIDE,000075-30-9,6362,2-iodopropane,CC(C)I,"InChI=1S/C3H7I/c1-3(2)4/h3H,1-2H3",FMKOJHQHASLBPH-UHFFFAOYSA-N,C3H7I,169.99,169.95925,2.3,0,10,0,0,0,0,4,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
PROPYLENE BROMIDE,000078-75-1,6553,"1,2-dibromopropane",CC(CBr)Br,"InChI=1S/C3H6Br2/c1-3(5)2-4/h3H,2H2,1H3",XFNJYAKDBJUJAJ-UHFFFAOYSA-N,C3H6Br2,201.89,201.88158,2.2,0,20,0,0,0,1,5,Flash point: <-75 °C,"284 to 288 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
N-BUTYL ETHER,000142-96-1,8909,1-butoxybutane,CCCCOCCCC,"InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3",DURPTKYDGMDSBL-UHFFFAOYSA-N,C8H18O,130.23,130.1357652,3.2,9.2,37,0,0,1,6,9,"77 °F (NTP, 1992)","288 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
ACETYLACETONE,000123-54-6,31261,"pentane-2,4-dione",CC(=O)CC(=O)C,"InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3",YRKCREAYFQTBPV-UHFFFAOYSA-N,C5H8O2,100.12,100.0524295,0.4,34.1,82,0,0,2,2,7,"93 °F (USCG, 1999)","284.7 °F at 760 mmHg (USCG, 1999)",0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
N-AMYL ALCOHOL,000071-41-0,6276,pentan-1-ol,CCCCCO,"InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3",AMQJEAYHLZJPGS-UHFFFAOYSA-N,C5H12O,88.15,88.088815,1.6,20.2,19,0,1,1,3,6,"91 °F (NTP, 1992)","280 °F at 760 mmHg (NTP, 1992)",0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
AMYL ACETATE,000628-63-7,12348,pentyl acetate,CCCCCOC(=O)C,"InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3",PGMYKACGEOXYJE-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,1.9,26.3,79,0,0,2,5,9,"(n-) 91 °F (cc); (all isomers) 106F (cc); (iso-) 69 °F (cc) (USCG, 1999)","295 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
N-AMYL BROMIDE,000110-53-2,8057,1-bromopentane,CCCCCBr,"InChI=1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3",YZWKKMVJZFACSU-UHFFFAOYSA-N,C5H11Br,151.04,150.00441,3.4,0,19,0,0,0,3,6,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,3-BUTANEDIOL",000107-88-0,7896,"butane-1,3-diol",CC(CCO)O,"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3",PUPZLCDOIYMWBV-UHFFFAOYSA-N,C4H10O2,90.12,90.06807956,-0.4,40.5,28,0,2,2,2,6,121 °C,207.5 °C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
DIISOBUTYL KETONE,000108-83-8,7958,"2,6-dimethylheptan-4-one",CC(C)CC(=O)CC(C)C,"InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3",PTTPXKJBFFKCEK-UHFFFAOYSA-N,C9H18O,142.24,142.1357652,2.5,17.1,91,0,0,1,4,10,"140 °F (NTP, 1992)","331 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
ETHYL ORTHOFORMATE,000122-51-0,31214,diethoxymethoxyethane,CCOC(OCC)OCC,"InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3",GKASDNZWUGIAMG-UHFFFAOYSA-N,C7H16O3,148.2,148.1099444,1.2,27.7,51,0,0,3,6,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
ETHYL ORTHOSILICATE,000078-10-4,6517,tetraethyl silicate,CCO[Si](OCC)(OCC)OCC,"InChI=1S/C8H20O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3",BOTDANWDWHJENH-UHFFFAOYSA-N,C8H20O4Si,208.33,208.1130857,,36.9,91,0,0,4,8,13,"99 °F (USCG, 1999)","336 °F at 760 mmHg (USCG, 1999)",0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
HEPTANAL,000111-71-7,8130,heptanal,CCCCCCC=O,"InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3",FXHGMKSSBGDXIY-UHFFFAOYSA-N,C7H14O,114.19,114.1044651,2.3,17.1,50,0,0,1,5,8,"95 °F (NTP, 1992)","307 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
N-HEXYL CHLORIDE,000544-10-5,10992,1-chlorohexane,CCCCCCCl,"InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3",MLRVZFYXUZQSRU-UHFFFAOYSA-N,C6H13Cl,120.62,120.0705781,3.6,0,27,0,0,0,4,7,"95 °F (NFPA, 2010)",,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
BUTYL ACRYLATE,000141-32-2,8846,butyl prop-2-enoate,CCCCOC(=O)C=C,"InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3",CQEYYJKEWSMYFG-UHFFFAOYSA-N,C7H12O2,128.17,128.0837296,2.4,26.3,97,0,0,2,5,9,"120 °F (NTP, 1992)","295 to 298 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,1
ETHYL BUTYL KETONE,000106-35-4,7802,heptan-3-one,CCCCC(=O)CC,"InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3",NGAZZOYFWWSOGK-UHFFFAOYSA-N,C7H14O,114.19,114.1044651,1.8,17.1,66,0,0,1,4,8,"115 °F (USCG, 1999)","297 °F at 760 mmHg (USCG, 1999)",0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
METHYL AMYL ALCOHOL,000108-11-2,7910,4-methylpentan-2-ol,CC(C)CC(C)O,"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3",WVYWICLMDOOCFB-UHFFFAOYSA-N,C6H14O,102.17,102.1044651,1.7,20.2,41,0,1,1,2,7,"106 °F (USCG, 1999)","269.2 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
METHYL ISOAMYL KETONE,000110-12-3,8034,5-methylhexan-2-one,CC(C)CCC(=O)C,"InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3",FFWSICBKRCICMR-UHFFFAOYSA-N,C7H14O,114.19,114.1044651,1.9,17.1,74,0,0,1,3,8,"97 °F (NIOSH, 2024)","291 °F at 760 mmHg (NIOSH, 2024)",0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
METHYLCYCLOHEXANOL,025639-42-3,87468080,4-methylhex-2-ynal,CCC(C)C#CC=O,"InChI=1S/C7H10O/c1-3-7(2)5-4-6-8/h6-7H,3H2,1-2H3",PQNOIQPKCYIDJB-UHFFFAOYSA-N,C7H10O,110.15,110.0731649,2,17.1,124,0,0,1,1,8,"149 to 158 °F (NIOSH, 2024)","311 to 356 °F at 760 mmHg (NIOSH, 2024)",0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
NITROETHANE,000079-24-3,6587,1-nitroethane,CC[N+](=O)[O-],"InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3",MCSAJNNLRCFZED-UHFFFAOYSA-N,C2H5NO2,75.07,75.0320284,0.2,45.8,37,0,0,2,0,5,"106 °F (NTP, 1992)","239 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
1-NITROPROPANE,000108-03-2,7903,1-nitropropane,CCC[N+](=O)[O-],"InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3",JSZOAYXJRCEYSX-UHFFFAOYSA-N,C3H7NO2,89.09,89.04767847,0.9,45.8,47,0,0,2,1,6,"93 °F (NTP, 1992)","270 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
PROPYLENE GLYCOL MONOMETHYL ETHER,000107-98-2,7900,1-methoxypropan-2-ol,CC(COC)O,"InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3",ARXJGSRGQADJSQ-UHFFFAOYSA-N,C4H10O2,90.12,90.06807956,-0.2,29.5,28,0,1,2,2,6,"97 °F (NTP, 1992)","248 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
TRIETHYLORTHOACETATE,000078-39-7,66221,"1,1,1-triethoxyethane",CCOC(C)(OCC)OCC,"InChI=1S/C8H18O3/c1-5-9-8(4,10-6-2)11-7-3/h5-7H2,1-4H3",NDQXKKFRNOPRDW-UHFFFAOYSA-N,C8H18O3,162.23,162.1255944,1.3,27.7,76,0,0,3,6,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
NITROMETHANE-D3,013031-32-8,123293,trideuterio(nitro)methane,[2H]C([2H])([2H])[N+](=O)[O-],InChI=1S/CH3NO2/c1-2(3)4/h1H3/i1D3,LYGJENNIWJXYER-FIBGUPNXSA-N,CH3NO2,64.059,64.03520858,0.1,45.8,27,0,0,2,0,4,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
BIS(CHLOROMETHYL)TETRAMETHYLDISILOXANE,002362-10-9,75385,chloromethyl-[chloromethyl(dimethyl)silyl]oxy-dimethylsilane,C[Si](C)(CCl)O[Si](C)(C)CCl,"InChI=1S/C6H16Cl2OSi2/c1-10(2,5-7)9-11(3,4)6-8/h5-6H2,1-4H3",NBGGEWGFZUDQKZ-UHFFFAOYSA-N,C6H16Cl2OSi2,231.26,230.0116736,,9.2,114,0,0,1,4,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
4-METHOXY-4-METHYLPENTANONE,000107-70-0,7884,4-methoxy-4-methylpentan-2-one,CC(=O)CC(C)(C)OC,"InChI=1S/C7H14O2/c1-6(8)5-7(2,3)9-4/h5H2,1-4H3",KOKPBCHLPVDQTK-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,0.4,26.3,105,0,0,2,3,9,"141 °F (NTP, 1992)","297 to 325 °F at 760 mmHg (NTP, 1992)",0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
N-METHYL-N-(BUTYLDIMETHYLSILYL)TRIFLUOROACETAMIDE,077377-52-7,2724275,"N-[tert-butyl(dimethyl)silyl]-2,2,2-trifluoro-N-methylacetamide",CC(C)(C)[Si](C)(C)N(C)C(=O)C(F)(F)F,"InChI=1S/C9H18F3NOSi/c1-8(2,3)15(5,6)13(4)7(14)9(10,11)12/h1-6H3",QRKUHYFDBWGLHJ-UHFFFAOYSA-N,C9H18F3NOSi,241.33,241.1109752,,20.3,255,0,0,4,2,15,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
3-OCTANONE,000106-68-3,246728,octan-3-one,CCCCCC(=O)CC,"InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3",RHLVCLIPMVJYKS-UHFFFAOYSA-N,C8H16O,128.21,128.1201151,2.3,17.1,76,0,0,1,5,9,"115 °F (USCG, 1999)","332.6 to 334.4 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-CHLORO-2-BUTANONE,004091-39-8,20026,3-chlorobutan-2-one,CC(C(=O)C)Cl,"InChI=1S/C4H7ClO/c1-3(5)4(2)6/h3H,1-2H3",OIMRLHCSLQUXLL-UHFFFAOYSA-N,C4H7ClO,106.55,106.0185425,1,17.1,60,0,0,1,1,6,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TRIETHYL ORTHOPROPIONATE,000115-80-0,66995,"1,1,1-triethoxypropane",CCC(OCC)(OCC)OCC,"InChI=1S/C9H20O3/c1-5-9(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3",FGWYWKIOMUZSQF-UHFFFAOYSA-N,C9H20O3,176.25,176.1412445,2,27.7,86,0,0,3,7,12,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"2,2-DIMETHYL-6,6,7,7,8,8,8-HEPTAFLUORO 3,5-OCTANEDIONE",017587-22-3,28614,"6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione",CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F,"InChI=1S/C10H11F7O2/c1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17/h4H2,1-3H3",SQNZLBOJCWQLGQ-UHFFFAOYSA-N,C10H11F7O2,296.18,296.0647267,3.7,34.1,376,0,0,9,5,19,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-IODOPENTANE,000628-17-1,12335,1-iodopentane,CCCCCI,"InChI=1S/C5H11I/c1-2-3-4-5-6/h2-5H2,1H3",BLXSFCHWMBESKV-UHFFFAOYSA-N,C5H11I,198.05,197.99055,3.6,0,19,0,0,0,3,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
(R)-(-)-2-BUTANOL,014898-79-4,84682,(2R)-butan-2-ol,CC[C@@H](C)O,"InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m1/s1",BTANRVKWQNVYAZ-SCSAIBSYSA-N,C4H10O,74.12,74.07316494,0.6,20.2,19,0,1,1,1,5,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
"3,3-DIMETHYL-2-BUTANOL",000464-07-3,10045,"3,3-dimethylbutan-2-ol",CC(C(C)(C)C)O,"InChI=1S/C6H14O/c1-5(7)6(2,3)4/h5,7H,1-4H3",DFOXKPDFWGNLJU-UHFFFAOYSA-N,C6H14O,102.17,102.1044651,1.5,20.2,51,0,1,1,1,7,"78.8 °F, 26 °C: closed cup",120.4 °C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
1-HEPTANETHIOL,001639-09-4,15422,heptane-1-thiol,CCCCCCCS,"InChI=1S/C7H16S/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3",VPIAKHNXCOTPAY-UHFFFAOYSA-N,C7H16S,132.27,132.0972717,3.9,1,35,0,1,1,5,8,"115 °F (NIOSH, 2024)","351 °F at 760 mmHg (NIOSH, 2024)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
4-CHLORO-1-BUTANOL,000928-51-8,13569,4-chlorobutan-1-ol,C(CCCl)CO,"InChI=1S/C4H9ClO/c5-3-1-2-4-6/h6H,1-4H2",HXHGULXINZUGJX-UHFFFAOYSA-N,C4H9ClO,108.57,108.0341926,0.8,20.2,23,0,1,1,3,6,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
METHOXYFLURANE,000076-38-0,4116,"2,2-dichloro-1,1-difluoro-1-methoxyethane",COC(C(Cl)Cl)(F)F,"InChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3",RFKMCNOHBTXSMU-UHFFFAOYSA-N,C3H4Cl2F2O,164.96,163.9607265,2.2,9.2,75,0,0,3,2,8,"145 °F (NTP, 1992)","220.3 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,1,0,1,0,0,0,0,0,1,0,0,1
2-HEXANOL,000626-93-7,12297,hexan-2-ol,CCCCC(C)O,"InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3",QNVRIHYSUZMSGM-UHFFFAOYSA-N,C6H14O,102.17,102.1044651,1.8,20.2,35,0,1,1,3,7,41 °C,136 °C,0,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
6-BROMO-1-HEXENE,002695-47-8,75906,6-bromohex-1-ene,C=CCCCCBr,"InChI=1S/C6H11Br/c1-2-3-4-5-6-7/h2H,1,3-6H2",RIMXEJYJXDBLIE-UHFFFAOYSA-N,C6H11Br,163.06,162.00441,2.8,0,41,0,0,0,4,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ETHYL PROPIOLATE,000623-47-2,12182,ethyl prop-2-ynoate,CCOC(=O)C#C,"InChI=1S/C5H6O2/c1-3-5(6)7-4-2/h1H,4H2,2H3",FMVJYQGSRWVMQV-UHFFFAOYSA-N,C5H6O2,98.1,98.03677943,1,26.3,106,0,0,2,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
VINYL CROTONATE,014861-06-4,5365800,ethenyl (E)-but-2-enoate,C/C=C/C(=O)OC=C,"InChI=1S/C6H8O2/c1-3-5-6(7)8-4-2/h3-5H,2H2,1H3/b5-3+",IYNRVIKPUTZSOR-HWKANZROSA-N,C6H8O2,112.13,112.0524295,1.4,26.3,114,0,0,2,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
METHYL PYRUVATE,000600-22-6,11748,methyl 2-oxopropanoate,CC(=O)C(=O)OC,InChI=1S/C4H6O3/c1-3(5)4(6)7-2/h1-2H3,CWKLZLBVOJRSOM-UHFFFAOYSA-N,C4H6O3,102.09,102.031694,0,43.4,95,0,0,3,2,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
ETHYL 3-ETHOXYPROPIONATE,000763-69-9,12989,ethyl 3-ethoxypropanoate,CCOCCC(=O)OCC,"InChI=1S/C7H14O3/c1-3-9-6-5-7(8)10-4-2/h3-6H2,1-2H3",BHXIWUJLHYHGSJ-UHFFFAOYSA-N,C7H14O3,146.18,146.0942943,0.6,35.5,90,0,0,3,6,10,"138 °F (USCG, 1999)","338 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,1,3-TRICHLOROPROPENE",002567-14-8,17378,"1,1,3-trichloroprop-1-ene",C(C=C(Cl)Cl)Cl,"InChI=1S/C3H3Cl3/c4-2-1-3(5)6/h1H,2H2",JFEVIPGMXQNRRF-UHFFFAOYSA-N,C3H3Cl3,145.41,143.930033,2.6,0,53,0,0,0,1,6,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
1-CHLOROHEPTANE,000629-06-1,12371,1-chloroheptane,CCCCCCCCl,"InChI=1S/C7H15Cl/c1-2-3-4-5-6-7-8/h2-7H2,1H3",DZMDPHNGKBEVRE-UHFFFAOYSA-N,C7H15Cl,134.65,134.0862282,4.2,0,35,0,0,0,5,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
5-BROMO-1-PENTENE,001119-51-3,70704,5-bromopent-1-ene,C=CCCCBr,"InChI=1S/C5H9Br/c1-2-3-4-5-6/h2H,1,3-5H2",LPNANKDXVBMDKE-UHFFFAOYSA-N,C5H9Br,149.03,147.98876,2.4,0,32,0,0,0,3,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-IODO-3-METHYLBUTANE,000541-28-6,10924,1-iodo-3-methylbutane,CC(C)CCI,"InChI=1S/C5H11I/c1-5(2)3-4-6/h5H,3-4H2,1-2H3",BUZZUHJODKQYTF-UHFFFAOYSA-N,C5H11I,198.05,197.99055,3.4,0,25,0,0,0,2,6,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-BUTYN-1-OL,000927-74-2,13566,but-3-yn-1-ol,C#CCCO,"InChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2",OTJZCIYGRUNXTP-UHFFFAOYSA-N,C4H6O,70.09,70.04186481,0.1,20.2,47,0,1,1,1,5,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TETRAETHYLSILANE,000631-36-7,12426,tetraethylsilane,CC[Si](CC)(CC)CC,"InChI=1S/C8H20Si/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3",VCZQFJFZMMALHB-UHFFFAOYSA-N,C8H20Si,144.33,144.1334272,,0,47,0,0,0,4,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-(TRIMETHYLSILYL)ETHANOL,002916-68-9,18013,2-trimethylsilylethanol,C[Si](C)(C)CCO,"InChI=1S/C5H14OSi/c1-7(2,3)5-4-6/h6H,4-5H2,1-3H3",ZNGINKJHQQQORD-UHFFFAOYSA-N,C5H14OSi,118.25,118.0813916,,20.2,46,0,1,1,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TRIETHOXYVINYLSILANE,000078-08-0,6516,ethenyl(triethoxy)silane,CCO[Si](C=C)(OCC)OCC,"InChI=1S/C8H18O3Si/c1-5-9-12(8-4,10-6-2)11-7-3/h8H,4-7H2,1-3H3",FWDBOZPQNFPOLF-UHFFFAOYSA-N,C8H18O3Si,190.31,190.102521,,27.7,110,0,0,3,7,12,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
ETHYL THIOCYANATE,000542-90-5,10968,ethyl thiocyanate,CCSC#N,"InChI=1S/C3H5NS/c1-2-5-3-4/h2H2,1H3",WFCLYEAZTHWNEH-UHFFFAOYSA-N,C3H5NS,87.15,87.01427034,1.3,49.1,51,0,0,2,1,5,,"295 °F at 760 mmHg (EPA, 1998)",0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TETRAETHYLGERMANIUM,000597-63-7,11703,tetraethylgermane,CC[Ge](CC)(CC)CC,"InChI=1S/C8H20Ge/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3",QQXSEZVCKAEYQJ-UHFFFAOYSA-N,C8H20Ge,188.87,190.0776784,,0,47,0,0,0,4,9,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TRIPROPYLSILANE,000998-29-8,6327709,,CCC[Si](CCC)CCC,"InChI=1S/C9H21Si/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3",MMYRBBZVCDXGHG-UHFFFAOYSA-N,C9H21Si,157.35,157.1412522,,0,47,0,0,0,6,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
HEXANENITRILE,000628-73-9,12352,hexanenitrile,CCCCCC#N,"InChI=1S/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3",AILKHAQXUAOOFU-UHFFFAOYSA-N,C6H11N,97.16,97.08914936,1.7,23.8,67,0,0,1,3,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
HEXAETHYLPHOSPHOROUS TRIAMIDE,002283-11-6,75292,N-[bis(diethylamino)phosphanyl]-N-ethylethanamine,CCN(CC)P(N(CC)CC)N(CC)CC,"InChI=1S/C12H30N3P/c1-7-13(8-2)16(14(9-3)10-4)15(11-5)12-6/h7-12H2,1-6H3",FDIOSTIIZGWENY-UHFFFAOYSA-N,C12H30N3P,247.36,247.217735,2.8,9.7,126,0,0,3,9,16,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
DI-TERT-BUTYL NITROXIDE,002406-25-9,520092,,CC(C)(C)N(C(C)(C)C)[O],"InChI=1S/C8H18NO/c1-7(2,3)9(10)8(4,5)6/h1-6H3",CKJMHSMEPSUICM-UHFFFAOYSA-N,C8H18NO,144.23,144.1388392,1.7,4.2,93,0,0,1,2,10,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,9-DECADIENE",001647-16-1,15439,"deca-1,9-diene",C=CCCCCCCC=C,"InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-10H2",NLDGJRWPPOSWLC-UHFFFAOYSA-N,C10H18,138.25,138.1408506,5.1,0,70,0,0,0,7,10,,,1,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
OCTYL ALDEHYDE,000124-13-0,454,octanal,CCCCCCCC=O,"InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3",NUJGJRNETVAIRJ-UHFFFAOYSA-N,C8H16O,128.21,128.1201151,2.7,17.1,59,0,0,1,6,9,"125 °F (USCG, 1999)",171 °C,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
1-CYANOHEXANE,000629-08-3,12372,heptanenitrile,CCCCCCC#N,"InChI=1S/C7H13N/c1-2-3-4-5-6-7-8/h2-6H2,1H3",SDAXRHHPNYTELL-UHFFFAOYSA-N,C7H13N,111.18,111.1047994,2.2,23.8,77,0,0,1,4,8,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
3-HEXANONE,000589-38-8,11509,hexan-3-one,CCCC(=O)CC,"InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3",PFCHFHIRKBAQGU-UHFFFAOYSA-N,C6H12O,100.16,100.088815,1.2,17.1,57,0,0,1,3,7,,123.00 to 124.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
2-ETHYLHEXENE-1,001632-16-2,15404,3-methylideneheptane,CCCCC(=C)CC,"InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h3-7H2,1-2H3",XTVRLCUJHGUXCP-UHFFFAOYSA-N,C8H16,112.21,112.1252005,4,0,62,0,0,0,4,8,,,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
"3,5,5-TRIMETHYLHEXENE-1",004316-65-8,92984,"3,5,5-trimethylhex-1-ene",CC(CC(C)(C)C)C=C,"InChI=1S/C9H18/c1-6-8(2)7-9(3,4)5/h6,8H,1,7H2,2-5H3",JTXUVHFRSRTSAT-UHFFFAOYSA-N,C9H18,126.24,126.1408506,3.9,0,84,0,0,0,3,9,,,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
TRIMETHOXYPROPYLSILANE,001067-25-0,61254,trimethoxy(propyl)silane,CCC[Si](OC)(OC)OC,"InChI=1S/C6H16O3Si/c1-5-6-10(7-2,8-3)9-4/h5-6H2,1-4H3",HQYALQRYBUJWDH-UHFFFAOYSA-N,C6H16O3Si,164.27,164.0868709,,27.7,74,0,0,3,5,10,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"3-METHYL-2,4-PENTANEDIONE",000815-57-6,69949,"3-methylpentane-2,4-dione",CC(C(=O)C)C(=O)C,"InChI=1S/C6H10O2/c1-4(5(2)7)6(3)8/h4H,1-3H3",GSOHKPVFCOWKPU-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,0.4,34.1,102,0,0,2,2,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
MALONALDEHYDE BIS(DIMETHYL ACETAL),000102-52-3,66019,"1,1,3,3-tetramethoxypropane",COC(CC(OC)OC)OC,"InChI=1S/C7H16O4/c1-8-6(9-2)5-7(10-3)11-4/h6-7H,5H2,1-4H3",XHTYQFMRBQUCPX-UHFFFAOYSA-N,C7H16O4,164.2,164.104859,0.3,36.9,68,0,0,4,6,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"2,2,3,3,4,4,4-HEPTAFLUORO-1-BUTANOL",000375-01-9,9776,"2,2,3,3,4,4,4-heptafluorobutan-1-ol",C(C(C(C(F)(F)F)(F)F)(F)F)O,"InChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2",WXJFKAZDSQLPBX-UHFFFAOYSA-N,C4H3F7O,200.05,200.0072119,1.9,20.2,159,0,1,8,2,12,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
CHLOROACETALDEHYDE DIMETHYL ACETAL,000097-97-2,60986,"2-chloro-1,1-dimethoxyethane",COC(CCl)OC,"InChI=1S/C4H9ClO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H3",CRZJPEIBPQWDGJ-UHFFFAOYSA-N,C4H9ClO2,124.56,124.0291072,0.7,18.5,36,0,0,2,3,7,,,0,1,1,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
ETHYL HEXANOATE,000123-66-0,31265,ethyl hexanoate,CCCCCC(=O)OCC,"InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3",SHZIWNPUGXLXDT-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,2.4,26.3,89,0,0,2,6,10,,166.00 to 168.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
DIMETHYLAMINOACETALDEHYDE DIMETHYL ACETAL,038711-20-5,123476,"2,2-dimethoxy-N,N-dimethylethanamine",CN(C)CC(OC)OC,"InChI=1S/C6H15NO2/c1-7(2)5-6(8-3)9-4/h6H,5H2,1-4H3",HUYAEQCJNXODLQ-UHFFFAOYSA-N,C6H15NO2,133.19,133.1102787,0.1,21.7,62,0,0,3,4,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TRIETHOXYETHYLSILANE,000078-07-9,6515,triethoxy(ethyl)silane,CCO[Si](CC)(OCC)OCC,"InChI=1S/C8H20O3Si/c1-5-9-12(8-4,10-6-2)11-7-3/h5-8H2,1-4H3",DENFJSAFJTVPJR-UHFFFAOYSA-N,C8H20O3Si,192.33,192.118171,,27.7,91,0,0,3,7,12,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-BROMO-2-BUTYNE,003355-28-0,2756862,1-bromobut-2-yne,CC#CCBr,"InChI=1S/C4H5Br/c1-2-3-4-5/h4H2,1H3",LNNXOEHOXSYWLD-UHFFFAOYSA-N,C4H5Br,132.99,131.95746,1.6,0,62,0,0,0,0,5,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
HEXYL ACETATE,000142-92-7,8908,hexyl acetate,CCCCCCOC(=O)C,"InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3",AOGQPLXWSUTHQB-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,2.4,26.3,89,0,0,2,6,10,"99 °F (USCG, 1999)","334.4 to 338 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
PROPYL PROPIONATE,000106-36-5,7803,propyl propanoate,CCCOC(=O)CC,"InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3",MCSINKKTEDDPNK-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,1.7,26.3,68,0,0,2,4,8,,122.00 to 124.00 °C. @ 760.00 mm Hg,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
BUTYL BUTYRATE,000109-21-7,7983,butyl butanoate,CCCCOC(=O)CCC,"InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3",XUPYJHCZDLZNFP-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,2.2,26.3,89,0,0,2,6,10,"128 °F (USCG, 1999)","332 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-(CHLOROMETHYL)HEPTANE,000123-04-6,31240,3-(chloromethyl)heptane,CCCCC(CC)CCl,"InChI=1S/C8H17Cl/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3",WLVCBAMXYMWGLJ-UHFFFAOYSA-N,C8H17Cl,148.67,148.1018782,4.4,0,52,0,0,0,5,9,,,1,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,1,1,0,0
(3-CHLOROPROPYL)TRIMETHOXYSILANE,002530-87-2,62449,3-chloropropyl(trimethoxy)silane,CO[Si](CCCCl)(OC)OC,"InChI=1S/C6H15ClO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4-6H2,1-3H3",OXYZDRAJMHGSMW-UHFFFAOYSA-N,C6H15ClO3Si,198.72,198.0478986,,27.7,89,0,0,3,6,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-CHLOROPROPIONALDEHYDE DIETHYL ACETAL,035573-93-4,96217,"3-chloro-1,1-diethoxypropane",CCOC(CCCl)OCC,"InChI=1S/C7H15ClO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-6H2,1-2H3",NXHONHDWVLPPCS-UHFFFAOYSA-N,C7H15ClO2,166.64,166.0760574,1.8,18.5,62,0,0,2,6,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ETHYL PYRUVATE,000617-35-6,12041,ethyl 2-oxopropanoate,CCOC(=O)C(=O)C,"InChI=1S/C5H8O3/c1-3-8-5(7)4(2)6/h3H2,1-2H3",XXRCUYVCPSWGCC-UHFFFAOYSA-N,C5H8O3,116.11,116.0473441,0.4,43.4,106,0,0,3,3,8,,144.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2,2,3,4,4,4-HEXAFLUORO-1-BUTANOL",000382-31-0,533990,"2,2,3,4,4,4-hexafluorobutan-1-ol",C(C(C(C(F)(F)F)F)(F)F)O,"InChI=1S/C4H4F6O/c5-2(4(8,9)10)3(6,7)1-11/h2,11H,1H2",LVFXLZRISXUAIL-UHFFFAOYSA-N,C4H4F6O,182.06,182.0166337,1.7,20.2,129,0,1,7,2,11,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ETHYLTRIMETHOXYSILANE,005314-55-6,79204,ethyl(trimethoxy)silane,CC[Si](OC)(OC)OC,"InChI=1S/C5H14O3Si/c1-5-9(6-2,7-3)8-4/h5H2,1-4H3",SBRXLTRZCJVAPH-UHFFFAOYSA-N,C5H14O3Si,150.25,150.0712208,,27.7,64,0,0,3,4,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
METHYLTRIETHOXYSILANE,002031-67-6,16241,triethoxy(methyl)silane,CCO[Si](C)(OCC)OCC,"InChI=1S/C7H18O3Si/c1-5-8-11(4,9-6-2)10-7-3/h5-7H2,1-4H3",CPUDPFPXCZDNGI-UHFFFAOYSA-N,C7H18O3Si,178.3,178.102521,,27.7,80,0,0,3,6,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
TRANS-2-HEXEN-1-OL,000928-95-0,5318042,(E)-hex-2-en-1-ol,CCC/C=C/CO,"InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4+",ZCHHRLHTBGRGOT-SNAWJCMRSA-N,C6H12O,100.16,100.088815,1.4,20.2,48,0,1,1,3,7,,158.00 to 160.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0
CIS-2-HEXEN-1-OL,000928-94-9,5324489,(Z)-hex-2-en-1-ol,CCC/C=C\CO,"InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4-",ZCHHRLHTBGRGOT-PLNGDYQASA-N,C6H12O,100.16,100.088815,1.4,20.2,48,0,1,1,3,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
TRANS-3-HEXEN-1-OL,000928-97-2,5284503,(E)-hex-3-en-1-ol,CC/C=C/CCO,"InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3+",UFLHIIWVXFIJGU-ONEGZZNKSA-N,C6H12O,100.16,100.088815,1.3,20.2,48,0,1,1,3,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-PENTANOL,000584-02-1,11428,pentan-3-ol,CCC(CC)O,"InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3",AQIXEPGDORPWBJ-UHFFFAOYSA-N,C5H12O,88.15,88.088815,1.2,20.2,23,0,1,1,2,6,30 °C c.c.,116 °C,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
2-METHYL-2-PROPEN-1-OL,000513-42-8,10557,2-methylprop-2-en-1-ol,CC(=C)CO,"InChI=1S/C4H8O/c1-4(2)3-5/h5H,1,3H2,2H3",BYDRTKVGBRTTIT-UHFFFAOYSA-N,C4H8O,72.11,72.05751487,0.8,20.2,38,0,1,1,1,5,"92 °F (USCG, 1999)","239 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
AMYLNITRATE,001002-16-0,61250,pentyl nitrate,CCCCCO[N+](=O)[O-],"InChI=1S/C5H11NO3/c1-2-3-4-5-9-6(7)8/h2-5H2,1H3",HSNWZBCBUUSSQD-UHFFFAOYSA-N,C5H11NO3,133.15,133.0738932,2.7,55.1,78,0,0,3,4,9,"120 °F (USCG, 1999)","292 to 314 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
(S)-(+)-2-METHYLBUTYRONITRILE,025570-03-0,642159,(2S)-2-methylbutanenitrile,CC[C@H](C)C#N,"InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3/t5-/m0/s1",RCEJCSULJQNRQQ-YFKPBYRVSA-N,C5H9N,83.13,83.07349929,1.1,23.8,67,0,0,1,1,6,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
PROPYLENE GLYCOL PROPYL ETHER,001569-01-3,15286,1-propoxypropan-2-ol,CCCOCC(C)O,"InChI=1S/C6H14O2/c1-3-4-8-5-6(2)7/h6-7H,3-5H2,1-2H3",FENFUOGYJVOCRY-UHFFFAOYSA-N,C6H14O2,118.17,118.0993797,0.7,29.5,45,0,1,2,4,8,48 °C (118 °F) - closed cup,150.2 °C,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
3-HEPTANOL,000589-82-2,11520,heptan-3-ol,CCCCC(CC)O,"InChI=1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3",RZKSECIXORKHQS-UHFFFAOYSA-N,C7H16O,116.2,116.1201151,2.2,20.2,43,0,1,1,4,8,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,1,1-TRIFLUORO-2,4-PENTANEDIONE",000367-57-7,73943,"1,1,1-trifluoropentane-2,4-dione",CC(=O)CC(=O)C(F)(F)F,"InChI=1S/C5H5F3O2/c1-3(9)2-4(10)5(6,7)8/h2H2,1H3",SHXHPUAKLCCLDV-UHFFFAOYSA-N,C5H5F3O2,154.09,154.0241639,0.9,34.1,159,0,0,5,2,10,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TITANIUM PROPOXIDE,003087-37-4,9903917,tetrakis(propan-1-olate);titanium(4+),CCC[O-].CCC[O-].CCC[O-].CCC[O-].[Ti+4],"InChI=1S/4C3H7O.Ti/c4*1-2-3-4;/h4*2-3H2,1H3;/q4*-1;+4",HKJYVRJHDIPMQB-UHFFFAOYSA-N,C12H28O4Ti,284.22,284.1467,,92.2,7,0,0,4,4,17,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
3-CHLORO-1-PROPANETHIOL,017481-19-5,87134,3-chloropropane-1-thiol,C(CS)CCl,"InChI=1S/C3H7ClS/c4-2-1-3-5/h5H,1-3H2",TZCFWOHAWRIQGF-UHFFFAOYSA-N,C3H7ClS,110.61,109.9956991,1.5,1,16,0,1,1,2,5,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
4-PENTEN-1-OL,000821-09-0,13181,pent-4-en-1-ol,C=CCCCO,"InChI=1S/C5H10O/c1-2-3-4-5-6/h2,6H,1,3-5H2",LQAVWYMTUMSFBE-UHFFFAOYSA-N,C5H10O,86.13,86.07316494,1,20.2,32,0,1,1,3,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
CIS-2-PENTEN-1-OL,001576-95-0,5364919,(Z)-pent-2-en-1-ol,CC/C=C\CO,"InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3-",BTSIZIIPFNVMHF-ARJAWSKDSA-N,C5H10O,86.13,86.07316494,0.9,20.2,39,0,1,1,2,6,,138.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
ETHYL DISULFIDE,000110-81-6,8077,(ethyldisulfanyl)ethane,CCSSCC,"InChI=1S/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3",CETBSQOFQKLHHZ-UHFFFAOYSA-N,C4H10S2,122.3,122.0223927,1.6,50.6,17,0,0,2,3,6,,152.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"3,3,3-TRIFLUOROPROPYL-TRIMETHOXYSILANE",000429-60-7,67933,"trimethoxy(3,3,3-trifluoropropyl)silane",CO[Si](CCC(F)(F)F)(OC)OC,"InChI=1S/C6H13F3O3Si/c1-10-13(11-2,12-3)5-4-6(7,8)9/h4-5H2,1-3H3",JLGNHOJUQFHYEZ-UHFFFAOYSA-N,C6H13F3O3Si,218.25,218.0586053,,27.7,138,0,0,6,5,13,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
4-HEPTANOL,000589-55-9,11513,heptan-4-ol,CCCC(CCC)O,"InChI=1S/C7H16O/c1-3-5-7(8)6-4-2/h7-8H,3-6H2,1-2H3",YVBCULSIZWMTFY-UHFFFAOYSA-N,C7H16O,116.2,116.1201151,2.2,20.2,37,0,1,1,4,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
CHLOROMETHYLTRIETHOXYSILANE,015267-95-5,84858,chloromethyl(triethoxy)silane,CCO[Si](CCl)(OCC)OCC,"InChI=1S/C7H17ClO3Si/c1-4-9-12(7-8,10-5-2)11-6-3/h4-7H2,1-3H3",ZDOBWJOCPDIBRZ-UHFFFAOYSA-N,C7H17ClO3Si,212.74,212.0635486,,27.7,95,0,0,3,7,12,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0
DIMETHYL TRISULFIDE,003658-80-8,19310,(methyltrisulfanyl)methane,CSSSC,InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3,YWHLKYXPLRWGSE-UHFFFAOYSA-N,C2H6S3,126.3,125.9631637,1.3,75.9,12,0,0,3,2,5,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,1,1-TRIFLUORO-5,5-DIMETHYL-2,4-HEXANEDIONE",022767-90-4,89830,"1,1,1-trifluoro-5,5-dimethylhexane-2,4-dione",CC(C)(C)C(=O)CC(=O)C(F)(F)F,"InChI=1S/C8H11F3O2/c1-7(2,3)5(12)4-6(13)8(9,10)11/h4H2,1-3H3",BVPKYBMUQDZTJH-UHFFFAOYSA-N,C8H11F3O2,196.17,196.0711141,2.3,34.1,223,0,0,5,3,13,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
(S)-(+)-2-BUTANOL,004221-99-2,444683,(2S)-butan-2-ol,CC[C@H](C)O,"InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m0/s1",BTANRVKWQNVYAZ-BYPYZUCNSA-N,C4H10O,74.12,74.07316494,0.6,20.2,19,0,1,1,1,5,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
(S)-(+)-2-HEXANOL,052019-78-0,638097,(2S)-hexan-2-ol,CCCC[C@H](C)O,"InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3/t6-/m0/s1",QNVRIHYSUZMSGM-LURJTMIESA-N,C6H14O,102.17,102.1044651,1.8,20.2,35,0,1,1,3,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
(R)-(-)-2-HEXANOL,026549-24-6,6993810,(2R)-hexan-2-ol,CCCC[C@@H](C)O,"InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3/t6-/m1/s1",QNVRIHYSUZMSGM-ZCFIWIBFSA-N,C6H14O,102.17,102.1044651,1.8,20.2,35,0,1,1,3,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
2-METHYL-3-PENTANOL,000565-67-3,11264,2-methylpentan-3-ol,CCC(C(C)C)O,"InChI=1S/C6H14O/c1-4-6(7)5(2)3/h5-7H,4H2,1-3H3",ISTJMQSHILQAEC-UHFFFAOYSA-N,C6H14O,102.17,102.1044651,1.8,20.2,41,0,1,1,2,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
METHYL 2-METHOXYPROPIONATE,017639-76-8,86599,methyl 2-methoxypropanoate,CC(C(=O)OC)OC,"InChI=1S/C5H10O3/c1-4(7-2)5(6)8-3/h4H,1-3H3",VABBJJOSOCPYIT-UHFFFAOYSA-N,C5H10O3,118.13,118.0629942,0.4,35.5,79,0,0,3,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TRIETHYLSILANOL,000597-52-4,69005,triethyl(hydroxy)silane,CC[Si](CC)(CC)O,"InChI=1S/C6H16OSi/c1-4-8(7,5-2)6-3/h7H,4-6H2,1-3H3",WVMSIBFANXCZKT-UHFFFAOYSA-N,C6H16OSi,132.28,132.0970417,,20.2,51,0,1,1,3,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-PENTYN-1-OL,010229-10-4,66295,pent-3-yn-1-ol,CC#CCCO,"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3",IDYNOORNKYEHHO-UHFFFAOYSA-N,C5H8O,84.12,84.05751487,0.6,20.2,72,0,1,1,1,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIETHYLFORMAMIDE",000617-84-5,12051,"N,N-diethylformamide",CCN(CC)C=O,"InChI=1S/C5H11NO/c1-3-6(4-2)5-7/h5H,3-4H2,1-2H3",SUAKHGWARZSWIH-UHFFFAOYSA-N,C5H11NO,101.15,101.084064,0.5,20.3,50,0,0,1,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"3H,5H-OCTAMETHYLTETRASILOXANE",016066-09-4,6327318,,C[Si](O[Si](C)O[Si](C)(C)C)O[Si](C)(C)C,"InChI=1S/C8H24O3Si4/c1-12(10-14(3,4)5)9-13(2)11-15(6,7)8/h1-8H3",OHSYWAVRSCQMHG-UHFFFAOYSA-N,C8H24O3Si4,280.61,280.0802508,,27.7,167,0,0,3,6,15,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
BUTYL PROPANOATE,000590-01-2,11529,butyl propanoate,CCCCOC(=O)CC,"InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3",BTMVHUNTONAYDX-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,2.1,26.3,79,0,0,2,5,9,"101 °F (USCG, 1999)","296.2 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
CROTYL ALCOHOL (CIS+TRANS),006117-91-5,20024,but-2-en-1-ol,CC=CCO,"InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3",WCASXYBKJHWFMY-UHFFFAOYSA-N,C4H8O,72.11,72.05751487,0.4,20.2,30,0,1,1,1,5,,,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
2-FLUOROETHYL METHACRYLATE,000686-54-4,2737319,2-fluoroethyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCF,"InChI=1S/C6H9FO2/c1-5(2)6(8)9-4-3-7/h1,3-4H2,2H3",WPSKNCNCLSXMTN-UHFFFAOYSA-N,C6H9FO2,132.13,132.0586577,1.5,26.3,120,0,0,3,4,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ACETALDEHYDE OXIME,000107-29-9,7863,N-ethylidenehydroxylamine,CC=NO,"InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3",FZENGILVLUJGJX-UHFFFAOYSA-N,C2H5NO,59.07,59.03711378,-0.1,32.6,25,0,1,2,0,4,Flash point < 22 °C,115 °C,0,0,1,1,0,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0
3-HYDROXY-3-METHYL-2-BUTANONE,000115-22-0,8261,3-hydroxy-3-methylbutan-2-one,CC(=O)C(C)(C)O,"InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3",BNDRWEVUODOUDW-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,-0.1,37.3,84,0,1,2,1,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
DECAMETHYLTETRASILOXANE,000141-62-8,8852,[dimethyl(trimethylsilyloxy)silyl]oxy-dimethyl-trimethylsilyloxysilane,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,"InChI=1S/C10H30O3Si4/c1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h1-10H3",YFCGDEUVHLPRCZ-UHFFFAOYSA-N,C10H30O3Si4,310.68,310.127201,,27.7,227,0,0,3,6,17,,,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
"SULFUROUS ACID, DIMETHYL ESTER",000616-42-2,69223,dimethyl sulfite,COS(=O)OC,InChI=1S/C2H6O3S/c1-4-6(3)5-2/h1-2H3,BDUPRNVPXOHWIL-UHFFFAOYSA-N,C2H6O3S,110.13,110.0037652,0.2,54.7,46,0,0,4,2,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"PROPANOIC ACID, PENTYL ESTER",000624-54-4,12217,pentyl propanoate,CCCCCOC(=O)CC,"InChI=1S/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3",TWSRVQVEYJNFKQ-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,2.4,26.3,89,0,0,2,6,10,"106 °F (USCG, 1999)",167.00 to 169.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"3,3-DIMETHYL-1-BUTANOL",000624-95-3,12233,"3,3-dimethylbutan-1-ol",CC(C)(C)CCO,"InChI=1S/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3",DUXCSEISVMREAX-UHFFFAOYSA-N,C6H14O,102.17,102.1044651,1.6,20.2,42,0,1,1,2,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
1-BROMO-4-METHYLPENTANE,000626-88-0,69385,1-bromo-4-methylpentane,CC(C)CCCBr,"InChI=1S/C6H13Br/c1-6(2)4-3-5-7/h6H,3-5H2,1-2H3",XZKFBZOAIGFZSU-UHFFFAOYSA-N,C6H13Br,165.07,164.02006,3,0,33,0,0,0,3,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
2-CHLOROHEXANE,000638-28-8,12521,2-chlorohexane,CCCCC(C)Cl,"InChI=1S/C6H13Cl/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3",GLCIPJOIEVLTPR-UHFFFAOYSA-N,C6H13Cl,120.62,120.0705781,3,0,35,0,0,0,3,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"1,7-OCTADIYNE",000871-84-1,70099,"octa-1,7-diyne",C#CCCCCC#C,"InChI=1S/C8H10/c1-3-5-7-8-6-4-2/h1-2H,5-8H2",DSOJWVLXZNRKCS-UHFFFAOYSA-N,C8H10,106.16,106.0782503,2.5,0,107,0,0,0,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
6-CHLORO-1-HEXENE,000928-89-2,70233,6-chlorohex-1-ene,C=CCCCCCl,"InChI=1S/C6H11Cl/c1-2-3-4-5-6-7/h2H,1,3-6H2",BLMIXWDJHNJWDT-UHFFFAOYSA-N,C6H11Cl,118.6,118.054928,2.6,0,41,0,0,0,4,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
(4Z)-4-HEXEN-1-OL,000928-91-6,5365589,(Z)-hex-4-en-1-ol,C/C=C\CCCO,"InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2-3,7H,4-6H2,1H3/b3-2-",VTIODUHBZHNXFP-IHWYPQMZSA-N,C6H12O,100.16,100.088815,1.2,20.2,48,0,1,1,3,7,,159.00 to 160.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
BUTYLTRIMETHOXYSILANE,001067-57-8,70601,butyl(trimethoxy)silane,CCCC[Si](OC)(OC)OC,"InChI=1S/C7H18O3Si/c1-5-6-7-11(8-2,9-3)10-4/h5-7H2,1-4H3",SXPLZNMUBFBFIA-UHFFFAOYSA-N,C7H18O3Si,178.3,178.102521,,27.7,85,0,0,3,6,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-DIMETHYLAMINOETHYL ACETATE,001421-89-2,15013,2-(dimethylamino)ethyl acetate,CC(=O)OCCN(C)C,"InChI=1S/C6H13NO2/c1-6(8)9-5-4-7(2)3/h4-5H2,1-3H3",GOLSFPMYASLXJC-UHFFFAOYSA-N,C6H13NO2,131.17,131.0946287,0.2,29.5,91,0,0,3,4,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
BIS(METHYLTHIO)METHANE,001618-26-4,15380,bis(methylsulfanyl)methane,CSCSC,"InChI=1S/C3H8S2/c1-4-3-5-2/h3H2,1-2H3",LOCDPORVFVOGCR-UHFFFAOYSA-N,C3H8S2,108.23,108.0067426,1.6,50.6,12,0,0,2,2,5,,147.00 to 148.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"3-CHLORO-2,4-PENTANEDIONE",001694-29-7,74328,"3-chloropentane-2,4-dione",CC(=O)C(C(=O)C)Cl,"InChI=1S/C5H7ClO2/c1-3(7)5(6)4(2)8/h5H,1-2H3",VLRGXXKFHVJQOL-UHFFFAOYSA-N,C5H7ClO2,134.56,134.0134572,0.5,34.1,106,0,0,2,2,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-METHOXYACETONITRILE,001738-36-9,74442,2-methoxyacetonitrile,COCC#N,"InChI=1S/C3H5NO/c1-5-3-2-4/h3H2,1H3",QKPVEISEHYYHRH-UHFFFAOYSA-N,C3H5NO,71.08,71.03711378,-0.1,33,51,0,0,2,1,5,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-CHLOROHEXANE,002346-81-8,33016,3-chlorohexane,CCCC(CC)Cl,"InChI=1S/C6H13Cl/c1-3-5-6(7)4-2/h6H,3-5H2,1-2H3",BXSMMAVTEURRGG-UHFFFAOYSA-N,C6H13Cl,120.62,120.0705781,3,0,35,0,0,0,3,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
PENTYL ACRYLATE,002998-23-4,76345,pentyl prop-2-enoate,CCCCCOC(=O)C=C,"InChI=1S/C8H14O2/c1-3-5-6-7-10-8(9)4-2/h4H,2-3,5-7H2,1H3",ULDDEWDFUNBUCM-UHFFFAOYSA-N,C8H14O2,142.2,142.0993797,2.9,26.3,108,0,0,2,6,10,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,1
1-BROMO-2-ETHYLBUTANE (STABILIZED WITH COPPER CHIP),003814-34-4,77432,3-(bromomethyl)pentane,CCC(CC)CBr,"InChI=1S/C6H13Br/c1-3-6(4-2)5-7/h6H,3-5H2,1-2H3",KKGUMGWNFARLSL-UHFFFAOYSA-N,C6H13Br,165.07,164.02006,3,0,31,0,0,0,3,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,4-BIS(ETHENYLOXY)BUTANE",003891-33-6,77501,"1,4-bis(ethenoxy)butane",C=COCCCCOC=C,"InChI=1S/C8H14O2/c1-3-9-7-5-6-8-10-4-2/h3-4H,1-2,5-8H2",MWZJGRDWJVHRDV-UHFFFAOYSA-N,C8H14O2,142.2,142.0993797,2.1,18.5,77,0,0,2,7,10,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,1
TRIS(TRIMETHYLSILYL) BORATE,004325-85-3,78020,tris(trimethylsilyl) borate,B(O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,"InChI=1S/C9H27BO3Si3/c1-14(2,3)11-10(12-15(4,5)6)13-16(7,8)9/h1-9H3",YZYKZHPNRDIPFA-UHFFFAOYSA-N,C9H27BO3Si3,278.38,278.1361045,,27.7,179,0,0,3,6,16,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
(3-CHLOROPROPYL)TRIETHOXYSILANE,005089-70-3,78771,3-chloropropyl(triethoxy)silane,CCO[Si](CCCCl)(OCC)OCC,"InChI=1S/C9H21ClO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-9H2,1-3H3",KSCAZPYHLGGNPZ-UHFFFAOYSA-N,C9H21ClO3Si,240.8,240.0948488,,27.7,118,0,0,3,9,14,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
BROMOMETHOXYMETHANE,013057-17-5,83093,bromo(methoxy)methane,COCBr,"InChI=1S/C2H5BrO/c1-4-2-3/h2H2,1H3",JAMFGQBENKSWOF-UHFFFAOYSA-N,C2H5BrO,124.96,123.95238,0.9,9.2,10,0,0,1,1,4,,,0,1,1,1,0,1,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-METHYL-2-PROPENOIC ACID, 2,2,3,3,3-PENTAFLUOROPROPYL ESTER",045115-53-5,123516,"2,2,3,3,3-pentafluoropropyl 2-methylprop-2-enoate",CC(=C)C(=O)OCC(C(F)(F)F)(F)F,"InChI=1S/C7H7F5O2/c1-4(2)5(13)14-3-6(8,9)7(10,11)12/h1,3H2,2H3",CLISWDZSTWQFNX-UHFFFAOYSA-N,C7H7F5O2,218.12,218.0366203,2.9,26.3,243,0,0,7,4,14,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-BUTANOL, TANTALUM(5+) SALT",051094-78-1,170974,pentakis(butan-1-olate);tantalum(5+),CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Ta+5],"InChI=1S/5C4H9O.Ta/c5*1-2-3-4-5;/h5*2-4H2,1H3;/q5*-1;+5",QORWLRPWMJEJKP-UHFFFAOYSA-N,C20H45O5Ta,546.5,546.2747,,115,13,0,0,5,10,26,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
DI-S-BUTOXYALUMINOXYTRIETHOXYSILANE,068959-06-8,16684138,di(butan-2-yloxy)alumanyl triethyl silicate,CCC(C)O[Al](OC(C)CC)O[Si](OCC)(OCC)OCC,"InChI=1S/C6H15O4Si.2C4H9O.Al/c1-4-8-11(7,9-5-2)10-6-3;2*1-3-4(2)5;/h4-6H2,1-3H3;2*4H,3H2,1-2H3;/q3*-1;+3",MTHHTRVJDXYJHE-UHFFFAOYSA-N,C14H33AlO6Si,352.47,352.1861787,,55.4,243,0,0,6,14,22,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
2-Propynyl acrylate,010477-47-1,82655,prop-2-ynyl prop-2-enoate,C=CC(=O)OCC#C,"InChI=1S/C6H6O2/c1-3-5-8-6(7)4-2/h1,4H,2,5H2",WPBNLDNIZUGLJL-UHFFFAOYSA-N,C6H6O2,110.11,110.0367794,0.8,26.3,138,0,0,2,3,8,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
5-Trimethylsilyl-4-Pentyn-1-OL,013224-84-5,2760861,5-trimethylsilylpent-4-yn-1-ol,C[Si](C)(C)C#CCCCO,"InChI=1S/C8H16OSi/c1-10(2,3)8-6-4-5-7-9/h9H,4-5,7H2,1-3H3",LIHAMNSEAAPIRM-UHFFFAOYSA-N,C8H16OSi,156.3,156.0970417,,20.2,144,0,1,1,3,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,3-DIMETHYLPENTAN-3-OL",000595-41-5,11685,"2,3-dimethylpentan-3-ol",CCC(C)(C(C)C)O,"InChI=1S/C7H16O/c1-5-7(4,8)6(2)3/h6,8H,5H2,1-4H3",RFZHJHSNHYIRNE-UHFFFAOYSA-N,C7H16O,116.2,116.1201151,2,20.2,68,0,1,1,2,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-BROMOHEXANE-D13,130131-94-1,16213277,"1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecadeuteriohexane",[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Br,"InChI=1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2",MNDIARAMWBIKFW-UTBWLCBWSA-N,C6H13Br,178.15,177.10166,3.8,0,27,0,0,0,4,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-CHLORO-2-METHYL-2-PROPANOL,000558-42-9,68409,1-chloro-2-methylpropan-2-ol,CC(C)(CCl)O,"InChI=1S/C4H9ClO/c1-4(2,6)3-5/h6H,3H2,1-2H3",JNOZGFXJZQXOSU-UHFFFAOYSA-N,C4H9ClO,108.57,108.0341926,0.8,20.2,42,0,1,1,1,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-BROMO-4,4,4-TRIFLUORBUTANE",000406-81-5,521006,"4-bromo-1,1,1-trifluorobutane",C(CC(F)(F)F)CBr,"InChI=1S/C4H6BrF3/c5-3-1-2-4(6,7)8/h1-3H2",DBCAQXHNJOFNGC-UHFFFAOYSA-N,C4H6BrF3,190.99,189.9605,2.8,0,58,0,0,3,2,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-IODOBUTANE-D9,059012-24-7,12208645,"1,1,1,2,2,3,3,4,4-nonadeuterio-4-iodobutane",[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])I,"InChI=1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3/i1D3,2D2,3D2,4D2",KMGBZBJJOKUPIA-YNSOAAEFSA-N,C4H9I,193.07,193.03139,3.1,0,13,0,0,0,2,5,,,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
N-HEXANOL D13,204244-84-8,16212921,"1,1,2,2,3,3,4,4,5,5,6,6,6-tridecadeuteriohexan-1-ol",[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O,"InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2",ZSIAUFGUXNUGDI-UTBWLCBWSA-N,C6H14O,115.25,115.1860628,2,20.2,27,0,1,1,4,7,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
ANTIMONY TRIETHOXIDE,010433-06-4,66326,antimony(3+);ethanolate,CC[O-].CC[O-].CC[O-].[Sb+3],"InChI=1S/3C2H5O.Sb/c3*1-2-3;/h3*2H2,1H3;/q3*-1;+3",JGOJQVLHSPGMOC-UHFFFAOYSA-N,C6H15O3Sb,256.94,256.00593,,69.2,2,0,0,3,0,10,,,0,0,1,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
2-(TERT-BUTYLDIMETHYLSILOXY)ETHANOL,102229-10-7,11137665,2-[tert-butyl(dimethyl)silyl]oxyethanol,CC(C)(C)[Si](C)(C)OCCO,"InChI=1S/C8H20O2Si/c1-8(2,3)11(4,5)10-7-6-9/h9H,6-7H2,1-5H3",YJYAGNPMQVHYAH-UHFFFAOYSA-N,C8H20O2Si,176.33,176.1232564,,29.5,116,0,1,2,4,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"(2S)-2-HYDROXYPROPANOIC ACID, METHYL ESTER",027871-49-4,94386,methyl (2S)-2-hydroxypropanoate,C[C@@H](C(=O)OC)O,"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m0/s1",LPEKGGXMPWTOCB-VKHMYHEASA-N,C4H8O3,104.1,104.0473441,-0.1,46.5,69,0,1,3,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
"1,1-BIS(1,1-DIMETHYLETHOXY)-N,N,N-TRIMETHYLAMINE",036805-97-7,547712,"N,N-dimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]methanamine",CC(C)(C)OC(N(C)C)OC(C)(C)C,"InChI=1S/C11H25NO2/c1-10(2,3)13-9(12(7)8)14-11(4,5)6/h9H,1-8H3",DBNQIOANXZVWIP-UHFFFAOYSA-N,C11H25NO2,203.32,203.188529,2.2,21.7,149,0,0,3,5,14,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
4-CHLOROBUTAN-2-ONE,006322-49-2,80608,4-chlorobutan-2-one,CC(=O)CCCl,"InChI=1S/C4H7ClO/c1-4(6)2-3-5/h2-3H2,1H3",MAGOYBJJLVSJIC-UHFFFAOYSA-N,C4H7ClO,106.55,106.0185425,0.5,17.1,51,0,0,1,2,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TRIISOPROPYLSILYLACETYLENE,089343-06-6,2734682,ethynyl-tri(propan-2-yl)silane,CC(C)[Si](C#C)(C(C)C)C(C)C,"InChI=1S/C11H22Si/c1-8-12(9(2)3,10(4)5)11(6)7/h1,9-11H,2-7H3",KZGWPHUWNWRTEP-UHFFFAOYSA-N,C11H22Si,182.38,182.1490772,,0,159,0,0,0,4,12,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-BROMO-4-METHOXYBUTANE,004457-67-4,521168,1-bromo-4-methoxybutane,COCCCCBr,"InChI=1S/C5H11BrO/c1-7-5-3-2-4-6/h2-5H2,1H3",ALOQTNHQNMYBDE-UHFFFAOYSA-N,C5H11BrO,167.04,165.99933,1.6,9.2,31,0,0,1,4,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
METHYL 2-(DODECYLTHIOCARBONOTHIOYLTHIO)-2-METHYLPROPIONATE,1088555-95-6,71311091,methyl 2-dodecylsulfanylcarbothioylsulfanyl-2-methylpropanoate,CCCCCCCCCCCCSC(=S)SC(C)(C)C(=O)OC,"InChI=1S/C18H34O2S3/c1-5-6-7-8-9-10-11-12-13-14-15-22-17(21)23-18(2,3)16(19)20-4/h5-15H2,1-4H3",NHWLEOYMZVCNBC-UHFFFAOYSA-N,C18H34O2S3,378.7,378.1720938,8.3,109,330,0,0,5,16,23,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
3-CHLORO-3-METHYLHEXANE,043197-78-0,142659,3-chloro-3-methylhexane,CCCC(C)(CC)Cl,"InChI=1S/C7H15Cl/c1-4-6-7(3,8)5-2/h4-6H2,1-3H3",UTKDCNDVTOWUHW-UHFFFAOYSA-N,C7H15Cl,134.65,134.0862282,3.2,0,61,0,0,0,3,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
AMYL METHYL SULFIDE,001741-83-9,15620,1-methylsulfanylpentane,CCCCCSC,"InChI=1S/C6H14S/c1-3-4-5-6-7-2/h3-6H2,1-2H3",FOJGPFUFFHWGFQ-UHFFFAOYSA-N,C6H14S,118.24,118.0816216,2.7,25.3,27,0,0,1,4,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
N-PROPYLDIMETHYLMETHOXYSILANE,018182-14-4,2733760,methoxy-dimethyl-propylsilane,CCC[Si](C)(C)OC,"InChI=1S/C6H16OSi/c1-5-6-8(3,4)7-2/h5-6H2,1-4H3",NCHMPORHGFKNSI-UHFFFAOYSA-N,C6H16OSi,132.28,132.0970417,,9.2,61,0,0,1,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,2,3,4,4,4-HEXAFLUOROBUTYL METHACRYLATE",036405-47-7,549772,"2,2,3,4,4,4-hexafluorobutyl 2-methylprop-2-enoate",CC(=C)C(=O)OCC(C(C(F)(F)F)F)(F)F,"InChI=1S/C8H8F6O2/c1-4(2)5(15)16-3-7(10,11)6(9)8(12,13)14/h6H,1,3H2,2H3",DFVPUWGVOPDJTC-UHFFFAOYSA-N,C8H8F6O2,250.14,250.0428485,3.3,26.3,283,0,0,8,5,16,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-BROMOPENTANE (D11),126840-21-9,10964821,"1-bromo-1,1,2,2,3,3,4,4,5,5,5-undecadeuteriopentane",[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Br,"InChI=1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3/i1D3,2D2,3D2,4D2,5D2",YZWKKMVJZFACSU-GILSBCIXSA-N,C5H11Br,162.11,161.07346,3.4,0,19,0,0,0,3,6,,,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
DIBUTOXYMETHANE,002568-90-3,17379,1-(butoxymethoxy)butane,CCCCOCOCCCC,"InChI=1S/C9H20O2/c1-3-5-7-10-9-11-8-6-4-2/h3-9H2,1-2H3",QLCJOAMJPCOIDI-UHFFFAOYSA-N,C9H20O2,160.25,160.1463299,3.2,18.5,56,0,0,2,8,11,,,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
"GLYCINE, 1,1-DIMETHYLETHYL ESTER",006456-74-2,151417,tert-butyl 2-aminoacetate,CC(C)(C)OC(=O)CN,"InChI=1S/C6H13NO2/c1-6(2,3)9-5(8)4-7/h4,7H2,1-3H3",SJMDMGHPMLKLHQ-UHFFFAOYSA-N,C6H13NO2,131.17,131.0946287,0.2,52.3,104,0,1,3,3,9,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
2-PROPYNYL ETHER,006921-27-3,23349,3-prop-2-ynoxyprop-1-yne,C#CCOCC#C,"InChI=1S/C6H6O/c1-3-5-7-6-4-2/h1-2H,5-6H2",HRDCVMSNCBAMAM-UHFFFAOYSA-N,C6H6O,94.11,94.04186481,0.3,9.2,102,0,0,1,2,7,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"TRIS(2,2,2-TRIFLUOROETHYL) BORATE",000659-18-7,3599767,"tris(2,2,2-trifluoroethyl) borate",B(OCC(F)(F)F)(OCC(F)(F)F)OCC(F)(F)F,"InChI=1S/C6H6BF9O3/c8-4(9,10)1-17-7(18-2-5(11,12)13)19-3-6(14,15)16/h1-3H2",DIEXQJFSUBBIRP-UHFFFAOYSA-N,C6H6BF9O3,307.91,308.0266277,,27.7,217,0,0,12,6,19,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
TRIS(TRIMETHYLSILYL)SILANE,001873-77-4,123134,bis(trimethylsilyl)silyl-trimethylsilane,C[Si](C)(C)[SiH]([Si](C)(C)C)[Si](C)(C)C,"InChI=1S/C9H28Si4/c1-11(2,3)10(12(4,5)6)13(7,8)9/h10H,1-9H3",SQMFULTZZQBFBM-UHFFFAOYSA-N,C9H28Si4,248.66,248.126807,,0,134,0,0,0,3,13,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
3-METHYL-1-PENTEN-4-YN-3-OL,003230-69-1,97815,3-methylpent-1-en-4-yn-3-ol,CC(C=C)(C#C)O,"InChI=1S/C6H8O/c1-4-6(3,7)5-2/h1,5,7H,2H2,3H3",VBATUBQIYXCZPA-UHFFFAOYSA-N,C6H8O,96.13,96.05751487,0.7,20.2,117,0,1,1,2,7,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-ETHYL-1-PENTYN-3-O,006285-06-9,22698,3-ethylpent-1-yn-3-ol,CCC(CC)(C#C)O,"InChI=1S/C7H12O/c1-4-7(8,5-2)6-3/h1,8H,5-6H2,2-3H3",PUNRPAWKFTXZIW-UHFFFAOYSA-N,C7H12O,112.17,112.088815,1.3,20.2,103,0,1,1,3,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,1-DIFLUORO-2-IODOETHANE",000598-39-0,3833565,"1,1-difluoro-2-iodoethane",C(C(F)F)I,"InChI=1S/C2H3F2I/c3-2(4)1-5/h2H,1H2",VMFCTZUYOILUMY-UHFFFAOYSA-N,C2H3F2I,191.95,191.92475,2.2,0,21,0,0,2,1,5,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-(1,1-DIMETHYLETHOXY) ETHANOL",007580-85-0,24232,2-[(2-methylpropan-2-yl)oxy]ethanol,CC(C)(C)OCCO,"InChI=1S/C6H14O2/c1-6(2,3)8-5-4-7/h7H,4-5H2,1-3H3",BDLXTDLGTWNUFM-UHFFFAOYSA-N,C6H14O2,118.17,118.0993797,0.2,29.5,54,0,1,2,3,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,1,1
"1,2-BIS(2-PROPYNYLOXY)ETHANE",040842-04-4,11083951,3-(2-prop-2-ynoxyethoxy)prop-1-yne,C#CCOCCOCC#C,"InChI=1S/C8H10O2/c1-3-5-9-7-8-10-6-4-2/h1-2H,5-8H2",RNHWCSPBGKGOLM-UHFFFAOYSA-N,C8H10O2,138.16,138.0680796,0.2,18.5,135,0,0,2,5,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
7-BROMO-1-HEPTENE,004117-09-3,524450,7-bromohept-1-ene,C=CCCCCCBr,"InChI=1S/C7H13Br/c1-2-3-4-5-6-7-8/h2H,1,3-7H2",GNYDYUQVALBGGZ-UHFFFAOYSA-N,C7H13Br,177.08,176.02006,3.3,0,50,0,0,0,5,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-PROPANOL, 2-CHLORO-",000078-89-7,6566,2-chloropropan-1-ol,CC(CO)Cl,"InChI=1S/C3H7ClO/c1-3(4)2-5/h3,5H,2H2,1H3",VZIQXGLTRZLBEX-UHFFFAOYSA-N,C3H7ClO,94.54,94.0185425,0.6,20.2,22,0,1,1,1,5,"125 °F (NTP, 1992)","271 to 273 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"2,3-HEPTANEDIONE",000096-04-8,60983,"heptane-2,3-dione",CCCCC(=O)C(=O)C,"InChI=1S/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H3",FJPGAMCQJNLTJC-UHFFFAOYSA-N,C7H12O2,128.17,128.0837296,1,34.1,116,0,0,2,4,9,,64.00 °C. @ 18.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0
"5-HEPTENAL, 2,6-DIMETHYL-",000106-72-9,61016,"2,6-dimethylhept-5-enal",CC(CCC=C(C)C)C=O,"InChI=1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,9H,4,6H2,1-3H3",YGFGZTXGYTUXBA-UHFFFAOYSA-N,C9H16O,140.22,140.1201151,2.5,17.1,121,0,0,1,4,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0
"HEPTANOIC ACID, METHYL ESTER",000106-73-0,7826,methyl heptanoate,CCCCCCC(=O)OC,"InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3",XNCNNDVCAUWAIT-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,3,26.3,89,0,0,2,6,10,,174.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"BUTANOIC ACID, 3-METHYL-, ETHYL ESTER",000108-64-5,7945,ethyl 3-methylbutanoate,CCOC(=O)CC(C)C,"InChI=1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3",PPXUHEORWJQRHJ-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,1.7,26.3,86,0,0,2,4,9,,131.00 to 133.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"BUTANOIC ACID, 3-METHYL-, BUTYL ESTER",000109-19-3,7981,butyl 3-methylbutanoate,CCCCOC(=O)CC(C)C,"InChI=1S/C9H18O2/c1-4-5-6-11-9(10)7-8(2)3/h8H,4-7H2,1-3H3",AYWJSCLAAPJZEF-UHFFFAOYSA-N,C9H18O2,158.24,158.1306798,2.6,26.3,108,0,0,2,6,11,53 °C,150 °C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
5-HEXEN-2-ONE,000109-49-9,7989,hex-5-en-2-one,CC(=O)CCC=C,"InChI=1S/C6H10O/c1-3-4-5-6(2)7/h3H,1,4-5H2,2H3",RNDVGJZUHCKENF-UHFFFAOYSA-N,C6H10O,98.14,98.07316494,1,17.1,74,0,0,1,3,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-HEXYN-2-OL,000109-50-2,7990,hex-3-yn-2-ol,CCC#CC(C)O,"InChI=1S/C6H10O/c1-3-4-5-6(2)7/h6-7H,3H2,1-2H3",IFCAMPHNVKBSTF-UHFFFAOYSA-N,C6H10O,98.14,98.07316494,1,20.2,93,0,1,1,0,7,,,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1-Propanol, 3-ethoxy-",000111-35-3,8109,3-ethoxypropan-1-ol,CCOCCCO,"InChI=1S/C5H12O2/c1-2-7-5-3-4-6/h6H,2-5H2,1H3",XHMWPVBQGARKQM-UHFFFAOYSA-N,C5H12O2,104.15,104.0837296,0.1,29.5,29,0,1,2,4,7,"130 °F (NTP, 1992)","320 to 322 °F at 760 mmHg (NTP, 1992)",0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"HEXANOIC ACID, 2-ETHYL-, ZINC SALT",000136-53-8,61083,zinc bis(2-ethylhexanoate),CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Zn+2],"InChI=1S/2C8H16O2.Zn/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",IFNXAMCERSVZCV-UHFFFAOYSA-L,C16H30O4Zn,351.8,350.143551,,80.3,93,0,0,4,8,21,,,1,0,0,1,0,0,1,1,1,0,0,0,0,1,0,0,1,1,0,0
"HEPTANE, 2,2,6,6-TETRAMETHYL-4-METHYLENE-",000141-70-8,67334,"2,2,6,6-tetramethyl-4-methylideneheptane",CC(C)(C)CC(=C)CC(C)(C)C,"InChI=1S/C12H24/c1-10(8-11(2,3)4)9-12(5,6)7/h1,8-9H2,2-7H3",TUFZRYOCZCLYJO-UHFFFAOYSA-N,C12H24,168.32,168.1878008,5.3,0,132,0,0,0,4,12,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"BUTANOIC ACID, 4,4-DIFLUORO-3-OXO-, ETHYL ESTER",000352-24-9,67697,"ethyl 4,4-difluoro-3-oxobutanoate",CCOC(=O)CC(=O)C(F)F,"InChI=1S/C6H8F2O3/c1-2-11-5(10)3-4(9)6(7)8/h6H,2-3H2,1H3",CBDPWKVOPADMJC-UHFFFAOYSA-N,C6H8F2O3,166.12,166.0441504,1.1,43.4,156,0,0,5,5,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 2,2,3,3,3-PENTAFLUOROPROPYL ESTER",000356-86-5,67744,"2,2,3,3,3-pentafluoropropyl prop-2-enoate",C=CC(=O)OCC(C(F)(F)F)(F)F,"InChI=1S/C6H5F5O2/c1-2-4(12)13-3-5(7,8)6(9,10)11/h2H,1,3H2",JDVGNKIUXZQTFD-UHFFFAOYSA-N,C6H5F5O2,204.09,204.0209702,2.5,26.3,208,0,0,7,4,13,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"SILANE, DIMETHOXYMETHYL(3,3,3-TRIFLUOROPROPYL)-",000358-67-8,67751,"dimethoxy-methyl-(3,3,3-trifluoropropyl)silane",CO[Si](C)(CCC(F)(F)F)OC,"InChI=1S/C6H13F3O2Si/c1-10-12(3,11-2)5-4-6(7,8)9/h4-5H2,1-3H3",DIJRHOZMLZRNLM-UHFFFAOYSA-N,C6H13F3O2Si,202.25,202.0636907,,18.5,133,0,0,5,4,12,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BUTANOIC ACID, 4,4,4-TRIFLUORO-3-OXO-, ETHYL ESTER",000372-31-6,67793,"ethyl 4,4,4-trifluoro-3-oxobutanoate",CCOC(=O)CC(=O)C(F)(F)F,"InChI=1S/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3",OCJKUQIPRNZDTK-UHFFFAOYSA-N,C6H7F3O3,184.11,184.0347286,1.4,43.4,185,0,0,6,4,12,,,0,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 2,2,3,3,4,4,4-HEPTAFLUOROBUTYL ESTER",000424-64-6,67923,"2,2,3,3,4,4,4-heptafluorobutyl prop-2-enoate",C=CC(=O)OCC(C(C(F)(F)F)(F)F)(F)F,"InChI=1S/C7H5F7O2/c1-2-4(15)16-3-5(8,9)6(10,11)7(12,13)14/h2H,1,3H2",PLXOUIVCSUBZIX-UHFFFAOYSA-N,C7H5F7O2,254.1,254.0177765,3.2,26.3,281,0,0,9,5,16,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-PROPANOL, 1,3-DIFLUORO-",000453-13-4,67985,"1,3-difluoropropan-2-ol",C(C(CF)O)F,"InChI=1S/C3H6F2O/c4-1-3(6)2-5/h3,6H,1-2H2",PVDLUGWWIOGCNH-UHFFFAOYSA-N,C3H6F2O,96.08,96.03867113,-0.4,20.2,28,0,1,3,2,6,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-BUTEN-1-OL, (E)-",000504-61-0,637922,(E)-but-2-en-1-ol,C/C=C/CO,"InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+",WCASXYBKJHWFMY-NSCUHMNNSA-N,C4H8O,72.11,72.05751487,0.4,20.2,30,0,1,1,1,5,,,0,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"PROPANOIC ACID, 2-CHLORO-, ETHYL ESTER",000535-13-7,10807,ethyl 2-chloropropanoate,CCOC(=O)C(C)Cl,"InChI=1S/C5H9ClO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3",JEAVBVKAYUCPAQ-UHFFFAOYSA-N,C5H9ClO2,136.58,136.0291072,1.5,26.3,82,0,0,2,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BUTANOIC ACID, 2-METHYLPROPYL ESTER",000539-90-2,10885,2-methylpropyl butanoate,CCCC(=O)OCC(C)C,"InChI=1S/C8H16O2/c1-4-5-8(9)10-6-7(2)3/h7H,4-6H2,1-3H3",RGFNRWTWDWVHDD-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,2.3,26.3,97,0,0,2,5,10,,156.90 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PENTANENITRILE, 4-METHYL-",000542-54-1,10956,4-methylpentanenitrile,CC(C)CCC#N,"InChI=1S/C6H11N/c1-6(2)4-3-5-7/h6H,3-4H2,1-2H3",DUJMVKJJUANUMQ-UHFFFAOYSA-N,C6H11N,97.16,97.08914936,1.5,23.8,75,0,0,1,2,7,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
3-HEXEN-1-OL,000544-12-7,10993,hex-3-en-1-ol,CCC=CCCO,"InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3",UFLHIIWVXFIJGU-UHFFFAOYSA-N,C6H12O,100.16,100.088815,1.3,20.2,48,0,1,1,3,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 2-HYDROXY-, METHYL ESTER",000547-64-8,11040,methyl 2-hydroxypropanoate,CC(C(=O)OC)O,"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3",LPEKGGXMPWTOCB-UHFFFAOYSA-N,C4H8O3,104.1,104.0473441,-0.1,46.5,69,0,1,3,2,7,51 °C (124 °F) - closed cup,144-145 °C,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
"BUTANOIC ACID, 3-METHYL-, METHYL ESTER",000556-24-1,11160,methyl 3-methylbutanoate,CC(C)CC(=O)OC,"InChI=1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3",OQAGVSWESNCJJT-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,1.8,26.3,76,0,0,2,3,8,,114.00 to 115.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"METHANOL, BROMO-, ACETATE",000590-97-6,68536,bromomethyl acetate,CC(=O)OCBr,"InChI=1S/C3H5BrO2/c1-3(5)6-2-4/h2H2,1H3",NHYXMAKLBXBVEO-UHFFFAOYSA-N,C3H5BrO2,152.97,151.94729,1,26.3,52,0,0,2,2,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,2-DICHLOROBUTANE",000616-21-7,12017,"1,2-dichlorobutane",CCC(CCl)Cl,"InChI=1S/C4H8Cl2/c1-2-4(6)3-5/h4H,2-3H2,1H3",PQBOTZNYFQWRHU-UHFFFAOYSA-N,C4H8Cl2,127.01,126.0003056,2.4,0,28,0,0,0,2,6,,124.1 °C,0,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"ETHANE, 2-CHLORO-1,1-DIETHOXY-",000621-62-5,12128,"2-chloro-1,1-diethoxyethane",CCOC(CCl)OCC,"InChI=1S/C6H13ClO2/c1-3-8-6(5-7)9-4-2/h6H,3-5H2,1-2H3",OVXJWSYBABKZMD-UHFFFAOYSA-N,C6H13ClO2,152.62,152.0604073,1.4,18.5,53,0,0,2,5,9,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-HEXANOL,000623-37-0,12178,hexan-3-ol,CCCC(CC)O,"InChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3",ZOCHHNOQQHDWHG-UHFFFAOYSA-N,C6H14O,102.17,102.1044651,1.7,20.2,35,0,1,1,3,7,,133.00 to 135.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"ETHANE, 1,2-DICHLORO-1-ETHOXY-",000623-46-1,79077,"1,2-dichloro-1-ethoxyethane",CCOC(CCl)Cl,"InChI=1S/C4H8Cl2O/c1-2-7-4(6)3-5/h4H,2-3H2,1H3",NNBUKAPOVBEMNI-UHFFFAOYSA-N,C4H8Cl2O,143.01,141.9952203,1.8,9.2,40,0,0,1,3,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-METHYL-1-BUTANOL ACETATE,000624-41-9,12209,2-methylbutyl acetate,CCC(C)COC(=O)C,"InChI=1S/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3",XHIUFYZDQBSEMF-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,2.1,26.3,88,0,0,2,4,9,,138.00 °C. @ 741.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
TERT-AMYL ACETATE,000625-16-1,12238,2-methylbutan-2-yl acetate,CCC(C)(C)OC(=O)C,"InChI=1S/C7H14O2/c1-5-7(3,4)9-6(2)8/h5H2,1-4H3",JCCIFDCPHCKATH-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,1.5,26.3,105,0,0,2,3,9,"79 °F (est) (USCG, 1999)","256.5 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-BUTANAMINE, N-(1-METHYLPROPYL)-",000626-23-3,12277,N-butan-2-ylbutan-2-amine,CCC(C)NC(C)CC,"InChI=1S/C8H19N/c1-5-7(3)9-8(4)6-2/h7-9H,5-6H2,1-4H3",OBYVIBDTOCAXSN-UHFFFAOYSA-N,C8H19N,129.24,129.1517496,2.4,12,53,0,1,1,4,9,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"4-HEPTANONE, 2-METHYL-",000626-33-5,69378,2-methylheptan-4-one,CCCC(=O)CC(C)C,"InChI=1S/C8H16O/c1-4-5-8(9)6-7(2)3/h7H,4-6H2,1-3H3",AKRJXOYALOGLHQ-UHFFFAOYSA-N,C8H16O,128.21,128.1201151,2,17.1,84,0,0,1,4,9,,155 °C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"HEXANOIC ACID, PROPYL ESTER",000626-77-7,12293,propyl hexanoate,CCCCCC(=O)OCCC,"InChI=1S/C9H18O2/c1-3-5-6-7-9(10)11-8-4-2/h3-8H2,1-2H3",HTUIWRWYYVBCFT-UHFFFAOYSA-N,C9H18O2,158.24,158.1306798,2.9,26.3,99,0,0,2,7,11,,184.00 to 187.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-BUTENOIC ACID, 3-METHYL-, ETHYL ESTER",000638-10-8,12516,ethyl 3-methylbut-2-enoate,CCOC(=O)C=C(C)C,"InChI=1S/C7H12O2/c1-4-9-7(8)5-6(2)3/h5H,4H2,1-3H3",UTXVCHVLDOLVPC-UHFFFAOYSA-N,C7H12O2,128.17,128.0837296,1.9,26.3,121,0,0,2,3,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-PROPENOIC ACID, 2-CHLORO-, ETHYL ESTER",000687-46-7,12708,ethyl 2-chloroprop-2-enoate,CCOC(=O)C(=C)Cl,"InChI=1S/C5H7ClO2/c1-3-8-5(7)4(2)6/h2-3H2,1H3",CVUNPKSKGHPMSY-UHFFFAOYSA-N,C5H7ClO2,134.56,134.0134572,2.4,26.3,109,0,0,2,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BORIC ACID (H3BO3), TRIPROPYL ESTER",000688-71-1,12711,tripropyl borate,B(OCCC)(OCCC)OCCC,"InChI=1S/C9H21BO3/c1-4-7-11-10(12-8-5-2)13-9-6-3/h4-9H2,1-3H3",LTEHWCSSIHAVOQ-UHFFFAOYSA-N,C9H21BO3,188.07,188.1583747,,27.7,81,0,0,3,9,13,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 2,2,3,3-TETRAFLUORO-3-METHOXY-, METHYL ESTER",000755-73-7,69787,"methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate",COC(=O)C(C(OC)(F)F)(F)F,"InChI=1S/C5H6F4O3/c1-11-3(10)4(6,7)5(8,9)12-2/h1-2H3",NDNOUXQCMAHOSA-UHFFFAOYSA-N,C5H6F4O3,190.09,190.0253067,1.4,35.5,180,0,0,7,4,12,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"3-PENTANONE, 2,2,4,4-TETRAMETHYL-",000815-24-7,13152,"2,2,4,4-tetramethylpentan-3-one",CC(C)(C)C(=O)C(C)(C)C,"InChI=1S/C9H18O/c1-8(2,3)7(10)9(4,5)6/h1-6H3",UIQGEWJEWJMQSL-UHFFFAOYSA-N,C9H18O,142.24,142.1357652,3,17.1,116,0,0,1,2,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 2-METHYL-, 2-METHYL-2-PROPENYL ESTER",000816-73-9,69953,2-methylprop-2-enyl 2-methylpropanoate,CC(C)C(=O)OCC(=C)C,"InChI=1S/C8H14O2/c1-6(2)5-10-8(9)7(3)4/h7H,1,5H2,2-4H3",SMCDNXLLJDMHQF-UHFFFAOYSA-N,C8H14O2,142.2,142.0993797,2.4,26.3,136,0,0,2,4,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, ETHOXY-, ETHYL ESTER",000817-95-8,69955,ethyl 2-ethoxyacetate,CCOCC(=O)OCC,"InChI=1S/C6H12O3/c1-3-8-5-6(7)9-4-2/h3-5H2,1-2H3",CKSRFHWWBKRUKA-UHFFFAOYSA-N,C6H12O3,132.16,132.0786442,0.7,35.5,80,0,0,3,5,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"SILANE, OCTYL-",000871-92-1,70101,octylsilane,CCCCCCCC[SiH3],"InChI=1S/C8H20Si/c1-2-3-4-5-6-7-8-9/h2-8H2,1,9H3",FPLYNRPOIZEADP-UHFFFAOYSA-N,C8H20Si,144.33,144.1334272,,0,43,0,0,0,6,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-PENTEN-3-OL, 3-METHYL-",000918-85-4,13519,3-methylpent-1-en-3-ol,CCC(C)(C=C)O,"InChI=1S/C6H12O/c1-4-6(3,7)5-2/h4,7H,1,5H2,2-3H3",HFYAEUXHCMTPOL-UHFFFAOYSA-N,C6H12O,100.16,100.088815,1.3,20.2,68,0,1,1,2,7,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"SILANAMINE, N,1,1,1-TETRAMETHYL-N-(TRIMETHYLSILYL)-",000920-68-3,70199,"N,N-bis(trimethylsilyl)methanamine",CN([Si](C)(C)C)[Si](C)(C)C,"InChI=1S/C7H21NSi2/c1-8(9(2,3)4)10(5,6)7/h1-7H3",ZSMNRKGGHXLZEC-UHFFFAOYSA-N,C7H21NSi2,175.42,175.1212527,,3.2,95,0,0,1,2,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-BUTENOIC ACID, 3-METHYL-, METHYL ESTER",000924-50-5,13546,methyl 3-methylbut-2-enoate,CC(=CC(=O)OC)C,"InChI=1S/C6H10O2/c1-5(2)4-6(7)8-3/h4H,1-3H3",FZIBCCGGICGWBP-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,1.6,26.3,110,0,0,2,2,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"HEPTANE, 4-BROMO-",000998-93-6,70460,4-bromoheptane,CCCC(CCC)Br,"InChI=1S/C7H15Br/c1-3-5-7(8)6-4-2/h7H,3-6H2,1-2H3",BNUTXEKPXPZAIT-UHFFFAOYSA-N,C7H15Br,179.1,178.03571,3.6,0,37,0,0,0,4,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PROPANE, 1,1,1,3-TETRACHLORO-",001070-78-6,14056,"1,1,1,3-tetrachloropropane",C(CCl)C(Cl)(Cl)Cl,"InChI=1S/C3H4Cl4/c4-2-1-3(5,6)7/h1-2H2",UTACNSITJSJFHA-UHFFFAOYSA-N,C3H4Cl4,181.9,181.903761,3,0,45,0,0,0,1,7,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
3-HEPTEN-2-ONE,001119-44-4,5364578,(E)-hept-3-en-2-one,CCC/C=C/C(=O)C,"InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h5-6H,3-4H2,1-2H3/b6-5+",JHHZQADGLDKIPM-AATRIKPKSA-N,C7H12O,112.17,112.088815,1.7,17.1,92,0,0,1,3,8,,63.00 °C. @ 13.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"BUTANE, 1,3-DICHLORO-",001190-22-3,14480,"1,3-dichlorobutane",CC(CCCl)Cl,"InChI=1S/C4H8Cl2/c1-4(6)2-3-5/h4H,2-3H2,1H3",QBGVARBIQGHVKR-UHFFFAOYSA-N,C4H8Cl2,127.01,126.0003056,2.2,0,28,0,0,0,2,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
"2-BUTEN-1-OL, 3-METHYL-, ACETATE",001191-16-8,14489,3-methylbut-2-enyl acetate,CC(=CCOC(=O)C)C,"InChI=1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3",XXIKYCPRDXIMQM-UHFFFAOYSA-N,C7H12O2,128.17,128.0837296,1.8,26.3,121,0,0,2,3,9,,151.00 to 152.00 °C. @ 752.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-PENTEN-2-OL,001569-50-2,15289,pent-3-en-2-ol,CC=CC(C)O,"InChI=1S/C5H10O/c1-3-4-5(2)6/h3-6H,1-2H3",GJYMQFMQRRNLCY-UHFFFAOYSA-N,C5H10O,86.13,86.07316494,0.8,20.2,47,0,1,1,1,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"3-PENTENOIC ACID, 2-METHYL-, ETHYL ESTER",001617-23-8,5463855,ethyl (E)-2-methylpent-3-enoate,CCOC(=O)C(C)/C=C/C,"InChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h4,6-7H,5H2,1-3H3/b6-4+",HOWBPXBYCPKWBL-GQCTYLIASA-N,C8H14O2,142.2,142.0993797,2,26.3,127,0,0,2,4,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-OCTEN-2-ONE,001669-44-9,5363229,(E)-oct-3-en-2-one,CCCC/C=C/C(=O)C,"InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3/b7-6+",ZCFOBLITZWHNNC-VOTSOKGWSA-N,C8H14O,126.2,126.1044651,2.3,17.1,103,0,0,1,4,9,,100.00 °C. @ 18.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"BORIC ACID (H3BO3), TRI-2-PROPENYL ESTER",001693-71-6,62415,tris(prop-2-enyl) borate,B(OCC=C)(OCC=C)OCC=C,"InChI=1S/C9H15BO3/c1-4-7-11-10(12-8-5-2)13-9-6-3/h4-6H,1-3,7-9H2",RQNVJDSEWRGEQR-UHFFFAOYSA-N,C9H15BO3,182.03,182.1114245,,27.7,130,0,0,3,9,13,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"3-HEXEN-1-OL, ACETATE",001708-82-3,15574,hex-3-enyl acetate,CCC=CCCOC(=O)C,"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3",NPFVOOAXDOBMCE-UHFFFAOYSA-N,C8H14O2,142.2,142.0993797,1.9,26.3,116,0,0,2,5,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PROPANE, 1,1-DIETHOXY-2-METHYL-",001741-41-9,519415,"1,1-diethoxy-2-methylpropane",CCOC(C(C)C)OCC,"InChI=1S/C8H18O2/c1-5-9-8(7(3)4)10-6-2/h7-8H,5-6H2,1-4H3",KZDFOVZPOBSHDH-UHFFFAOYSA-N,C8H18O2,146.23,146.1306798,2.2,18.5,65,0,0,2,5,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-PENTEN-1-OL, 2-METHYL-, ACETATE",001838-88-6,6365449,[(E)-2-methylpent-2-enyl] acetate,CC/C=C(\C)/COC(=O)C,"InChI=1S/C8H14O2/c1-4-5-7(2)6-10-8(3)9/h5H,4,6H2,1-3H3/b7-5+",SLNZJIRRMLAZEY-FNORWQNLSA-N,C8H14O2,142.2,142.0993797,2,26.3,136,0,0,2,4,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-PROPYN-1-OL, PROPANOATE",001932-92-9,74735,prop-2-ynyl propanoate,CCC(=O)OCC#C,"InChI=1S/C6H8O2/c1-3-5-8-6(7)4-2/h1H,4-5H2,2H3",BGRYSGVIVVUJHH-UHFFFAOYSA-N,C6H8O2,112.13,112.0524295,0.7,26.3,118,0,0,2,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"HEPTANE, 3-BROMO-",001974-05-6,16091,3-bromoheptane,CCCCC(CC)Br,"InChI=1S/C7H15Br/c1-3-5-6-7(8)4-2/h7H,3-6H2,1-2H3",MLHXKYLLJRLHGH-UHFFFAOYSA-N,C7H15Br,179.1,178.03571,3.7,0,43,0,0,0,4,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 2-METHYL-, 3-METHYLBUTYL ESTER",002050-01-3,519786,3-methylbutyl 2-methylpropanoate,CC(C)CCOC(=O)C(C)C,"InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3",VFTGLSWXJMRZNB-UHFFFAOYSA-N,C9H18O2,158.24,158.1306798,2.8,26.3,117,0,0,2,5,11,,168.00 to 171.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"DISULFIDE, METHYL PROPYL",002179-60-4,16592,1-(methyldisulfanyl)propane,CCCSSC,"InChI=1S/C4H10S2/c1-3-4-6-5-2/h3-4H2,1-2H3",PUCHCUYBORIUSM-UHFFFAOYSA-N,C4H10S2,122.3,122.0223927,1.8,50.6,21,0,0,2,3,6,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"SILANE, (3-CHLOROPROPYL)TRIMETHYL-",002344-83-4,75362,3-chloropropyl(trimethyl)silane,C[Si](C)(C)CCCCl,"InChI=1S/C6H15ClSi/c1-8(2,3)6-4-5-7/h4-6H2,1-3H3",QXDDDCNYAAJLBT-UHFFFAOYSA-N,C6H15ClSi,150.72,150.0631547,,0,56,0,0,0,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-HEXENOIC ACID, METHYL ESTER",002396-77-2,61310,methyl hex-2-enoate,CCCC=CC(=O)OC,"InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h5-6H,3-4H2,1-2H3",GFUGBRNILVVWIE-UHFFFAOYSA-N,C7H12O2,128.17,128.0837296,1.9,26.3,105,0,0,2,4,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"3-HEXENOIC ACID, METHYL ESTER",002396-78-3,61311,methyl hex-3-enoate,CCC=CCC(=O)OC,"InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h4-5H,3,6H2,1-2H3",XEAIHUDTEINXFG-UHFFFAOYSA-N,C7H12O2,128.17,128.0837296,1.5,26.3,105,0,0,2,4,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"3-HEXENOIC ACID, ETHYL ESTER",002396-83-0,5362622,ethyl (E)-hex-3-enoate,CC/C=C/CC(=O)OCC,"InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h5-6H,3-4,7H2,1-2H3/b6-5+",VTSFIPHRNAESED-AATRIKPKSA-N,C8H14O2,142.2,142.0993797,1.9,26.3,116,0,0,2,5,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PENTANOIC ACID, 4-METHYL-, METHYL ESTER",002412-80-8,17008,methyl 4-methylpentanoate,CC(C)CCC(=O)OC,"InChI=1S/C7H14O2/c1-6(2)4-5-7(8)9-3/h6H,4-5H2,1-3H3",KBCOVKHULBZKNY-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,2.1,26.3,86,0,0,2,4,9,,139.00 to 140.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"BUTANETHIOIC ACID, S-METHYL ESTER",002432-51-1,62444,S-methyl butanethioate,CCCC(=O)SC,"InChI=1S/C5H10OS/c1-3-4-5(6)7-2/h3-4H2,1-2H3",GRLJIIJNZJVMGP-UHFFFAOYSA-N,C5H10OS,118.2,118.0452361,1.5,42.4,61,0,0,2,3,7,,142.00 to 143.00 °C. @ 757.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"BUTANOIC ACID, 2-METHYL-, 2-METHYLPROPYL ESTER",002445-67-2,102820,2-methylpropyl 2-methylbutanoate,CCC(C)C(=O)OCC(C)C,"InChI=1S/C9H18O2/c1-5-8(4)9(10)11-6-7(2)3/h7-8H,5-6H2,1-4H3",NWZQCEQAPBRMFX-UHFFFAOYSA-N,C9H18O2,158.24,158.1306798,2.8,26.3,119,0,0,2,5,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
4-HEXEN-3-ONE,002497-21-4,5365811,(E)-hex-4-en-3-one,CCC(=O)/C=C/C,"InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3/b5-3+",FEWIGMWODIRUJM-HWKANZROSA-N,C6H10O,98.14,98.07316494,1.2,17.1,82,0,0,1,2,7,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2,6-OCTADIENE, 1-METHOXY-3,7-DIMETHYL-, (E)-",002565-82-4,5365849,"(2E)-1-methoxy-3,7-dimethylocta-2,6-diene",CC(=CCC/C(=C/COC)/C)C,"InChI=1S/C11H20O/c1-10(2)6-5-7-11(3)8-9-12-4/h6,8H,5,7,9H2,1-4H3/b11-8+",AVJMJMPVWWWELJ-DHZHZOJOSA-N,C11H20O,168.28,168.1514153,3.4,9.2,162,0,0,1,5,12,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"1-PROPANOL, 3-(TRIMETHYLSILYL)-",002917-47-7,76213,3-trimethylsilylpropan-1-ol,C[Si](C)(C)CCCO,"InChI=1S/C6H16OSi/c1-8(2,3)6-4-5-7/h7H,4-6H2,1-3H3",YNUUCDHAZGAVEZ-UHFFFAOYSA-N,C6H16OSi,132.28,132.0970417,,20.2,56,0,1,1,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,4-HEPTANEDIONE, 6-METHYL-",003002-23-1,76354,"6-methylheptane-2,4-dione",CC(C)CC(=O)CC(=O)C,"InChI=1S/C8H14O2/c1-6(2)4-8(10)5-7(3)9/h6H,4-5H2,1-3H3",IGMOYJSFRIASIE-UHFFFAOYSA-N,C8H14O2,142.2,142.0993797,1.1,34.1,136,0,0,2,4,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"OCTANOIC ACID, IRON(3+) SALT",003130-28-7,160672,iron(3+);tris(octanoate),CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Fe+3],"InChI=1S/3C8H16O2.Fe/c3*1-2-3-4-5-6-7-8(9)10;/h3*2-7H2,1H3,(H,9,10);/q;;;+3/p-3",ORTRPLABQKAPKJ-UHFFFAOYSA-K,C24H45FeO6,485.5,485.25655,,120,83,0,0,6,15,31,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,1,0,0
"BUTANOIC ACID, 4-CHLORO-, METHYL ESTER",003153-37-5,76612,methyl 4-chlorobutanoate,COC(=O)CCCCl,"InChI=1S/C5H9ClO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3",ZZUYIRISBMWFMV-UHFFFAOYSA-N,C5H9ClO2,136.58,136.0291072,1.3,26.3,72,0,0,2,4,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"METHANOL, (TRIMETHYLSILYL)-",003219-63-4,76692,trimethylsilylmethanol,C[Si](C)(C)CO,"InChI=1S/C4H12OSi/c1-6(2,3)4-5/h5H,4H2,1-3H3",ZQKNBDOVPOZPLY-UHFFFAOYSA-N,C4H12OSi,104.22,104.0657415,,20.2,37,0,1,1,1,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"HEXANE, 2-BROMO-",003377-86-4,18805,2-bromohexane,CCCCC(C)Br,"InChI=1S/C6H13Br/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3",NEBYCXAKZCQWAW-UHFFFAOYSA-N,C6H13Br,165.07,164.02006,3.2,0,35,0,0,0,3,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"HEXANE, 3-BROMO-",003377-87-5,18806,3-bromohexane,CCCC(CC)Br,"InChI=1S/C6H13Br/c1-3-5-6(7)4-2/h6H,3-5H2,1-2H3",IOZOJWNUKLCDML-UHFFFAOYSA-N,C6H13Br,165.07,164.02006,3.2,0,35,0,0,0,3,7,,,0,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
"PENTANE, 1,1-DIETHOXY-",003658-79-5,77223,"1,1-diethoxypentane",CCCCC(OCC)OCC,"InChI=1S/C9H20O2/c1-4-7-8-9(10-5-2)11-6-3/h9H,4-8H2,1-3H3",XCWKYQWOLSOBCC-UHFFFAOYSA-N,C9H20O2,160.25,160.1463299,2.6,18.5,68,0,0,2,7,11,,163.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"HEXANE, 1,1-DIETHOXY-",003658-93-3,77224,"1,1-diethoxyhexane",CCCCCC(OCC)OCC,"InChI=1S/C10H22O2/c1-4-7-8-9-10(11-5-2)12-6-3/h10H,4-9H2,1-3H3",WNHOMUCDFNTSEV-UHFFFAOYSA-N,C10H22O2,174.28,174.1619799,3.2,18.5,77,0,0,2,8,12,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"3-HEXEN-1-OL, ACETATE, (Z)-",003681-71-8,5363388,[(Z)-hex-3-enyl] acetate,CC/C=C\CCOC(=O)C,"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-",NPFVOOAXDOBMCE-PLNGDYQASA-N,C8H14O2,142.2,142.0993797,1.9,26.3,116,0,0,2,5,10,,75.00 to 76.00 °C. @ 23.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"3-HEXEN-1-OL, ACETATE, (E)-",003681-82-1,5352557,[(E)-hex-3-enyl] acetate,CC/C=C/CCOC(=O)C,"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4+",NPFVOOAXDOBMCE-SNAWJCMRSA-N,C8H14O2,142.2,142.0993797,1.9,26.3,116,0,0,2,5,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"SILANETRIAMINE, HEPTAMETHYL-",003768-57-8,77383,N-[bis(dimethylamino)-methylsilyl]-N-methylmethanamine,CN(C)[Si](C)(N(C)C)N(C)C,"InChI=1S/C7H21N3Si/c1-8(2)11(7,9(3)4)10(5)6/h1-7H3",AHKKZIUZTWZKDR-UHFFFAOYSA-N,C7H21N3Si,175.35,175.1504742,,9.7,101,0,0,3,3,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BUTANE, 1,1-DIETHOXY-3-METHYL-",003842-03-3,19695,"1,1-diethoxy-3-methylbutane",CCOC(CC(C)C)OCC,"InChI=1S/C9H20O2/c1-5-10-9(11-6-2)7-8(3)4/h8-9H,5-7H2,1-4H3",DDGBOLJFAMEBOE-UHFFFAOYSA-N,C9H20O2,160.25,160.1463299,2.5,18.5,75,0,0,2,6,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2,3-HEXANEDIONE",003848-24-6,19707,"hexane-2,3-dione",CCCC(=O)C(=O)C,"InChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3",MWVFCEVNXHTDNF-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,0.4,34.1,105,0,0,2,3,8,"83 °F (NTP, 1992)","262 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,1,1
"2-PROPANOL, 1-(DIETHYLAMINO)-",004402-32-8,95387,1-(diethylamino)propan-2-ol,CCN(CC)CC(C)O,"InChI=1S/C7H17NO/c1-4-8(5-2)6-7(3)9/h7,9H,4-6H2,1-3H3",BHUXAQIVYLDUQV-UHFFFAOYSA-N,C7H17NO,131.22,131.1310142,0.7,23.5,61,0,1,2,4,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"3-BUTEN-1-OL, 2-METHYL-",004516-90-9,94292,2-methylbut-3-en-1-ol,CC(CO)C=C,"InChI=1S/C5H10O/c1-3-5(2)4-6/h3,5-6H,1,4H2,2H3",NVGOATMUHKIQQG-UHFFFAOYSA-N,C5H10O,86.13,86.07316494,1,20.2,41,0,1,1,2,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"4-HEXENAL, (Z)-",004634-89-3,11094547,(Z)-hex-4-enal,C/C=C\CCC=O,"InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-3,6H,4-5H2,1H3/b3-2-",DPCMFIRORYQTCL-IHWYPQMZSA-N,C6H10O,98.14,98.07316494,1,17.1,64,0,0,1,3,7,,125.00 to 129.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-BUTEN-1-OL, 2-METHYL-",004675-87-0,6433417,(E)-2-methylbut-2-en-1-ol,C/C=C(\C)/CO,"InChI=1S/C5H10O/c1-3-5(2)4-6/h3,6H,4H2,1-2H3/b5-3+",NEJDKFPXHQRVMV-HWKANZROSA-N,C5H10O,86.13,86.07316494,1,20.2,55,0,1,1,1,6,,137.00 °C. @ 760.00 mm Hg,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
1-HEXEN-3-OL,004798-44-1,20928,hex-1-en-3-ol,CCCC(C=C)O,"InChI=1S/C6H12O/c1-3-5-6(7)4-2/h4,6-7H,2-3,5H2,1H3",BVOSSZSHBZQJOI-UHFFFAOYSA-N,C6H12O,100.16,100.088815,1.5,20.2,50,0,1,1,3,7,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"3-OCTANOL, ACETATE",004864-61-3,521238,octan-3-yl acetate,CCCCCC(CC)OC(=O)C,"InChI=1S/C10H20O2/c1-4-6-7-8-10(5-2)12-9(3)11/h10H,4-8H2,1-3H3",STZUZYMKSMSTOU-UHFFFAOYSA-N,C10H20O2,172.26,172.1463299,3.4,26.3,121,0,0,2,7,12,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
1-HEPTEN-3-OL,004938-52-7,21057,hept-1-en-3-ol,CCCCC(C=C)O,"InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h4,7-8H,2-3,5-6H2,1H3",PZKFYTOLVRCMOA-UHFFFAOYSA-N,C7H14O,114.19,114.1044651,2,20.2,59,0,1,1,4,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"SILANE, DIETHOXYDIETHYL-",005021-93-2,78726,diethoxy(diethyl)silane,CCO[Si](CC)(CC)OCC,"InChI=1S/C8H20O2Si/c1-5-9-11(7-3,8-4)10-6-2/h5-8H2,1-4H3",ZMAPKOCENOWQRE-UHFFFAOYSA-N,C8H20O2Si,176.33,176.1232564,,18.5,84,0,0,2,6,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"2-BUTANONE, 1-HYDROXY-",005077-67-8,521300,1-hydroxybutan-2-one,CCC(=O)CO,"InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3",GFAZHVHNLUBROE-UHFFFAOYSA-N,C4H8O2,88.11,88.05242949,-0.2,37.3,49,0,1,2,2,6,,152.00 to 154.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-PENTENAL, 4-METHYL-",005362-56-1,21458,4-methylpent-2-enal,CC(C)C=CC=O,"InChI=1S/C6H10O/c1-6(2)4-3-5-7/h3-6H,1-2H3",RIWPMNBTULNXOH-UHFFFAOYSA-N,C6H10O,98.14,98.07316494,1.3,17.1,72,0,0,1,2,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"SILANE, METHYLTRIPROPOXY-",005581-66-8,79692,methyl(tripropoxy)silane,CCCO[Si](C)(OCCC)OCCC,"InChI=1S/C10H24O3Si/c1-5-8-11-14(4,12-9-6-2)13-10-7-3/h5-10H2,1-4H3",RJMRIDVWCWSWFR-UHFFFAOYSA-N,C10H24O3Si,220.38,220.1494712,,27.7,109,0,0,3,9,14,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"ACETONITRILE, (METHYLAMINO)-",005616-32-0,36652,2-(methylamino)acetonitrile,CNCC#N,"InChI=1S/C3H6N2/c1-5-3-2-4/h5H,3H2,1H3",PVVRRUUMHFWFQV-UHFFFAOYSA-N,C3H6N2,70.09,70.0530982,-0.4,35.8,49,0,1,2,1,5,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"2-BUTENOIC ACID, 2-METHYL-, ETHYL ESTER, (E)-",005837-78-5,108343,ethyl 2-methylbut-2-enoate,CCOC(=O)C(=CC)C,"InChI=1S/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3",OAPHLAAOJMTMLY-UHFFFAOYSA-N,C7H12O2,128.17,128.0837296,1.7,26.3,125,0,0,2,3,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-PENTANONE, 5-CHLORO-",005891-21-4,79993,5-chloropentan-2-one,CC(=O)CCCCl,"InChI=1S/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3",XVRIEWDDMODMGA-UHFFFAOYSA-N,C5H9ClO,120.58,120.0341926,0.8,17.1,61,0,0,1,3,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"SILANE, (DICHLOROMETHYL)TRIMETHYL-",005926-38-5,80026,dichloromethyl(trimethyl)silane,C[Si](C)(C)C(Cl)Cl,"InChI=1S/C4H10Cl2Si/c1-7(2,3)4(5)6/h4H,1-3H3",XJTUNBKAWATELL-UHFFFAOYSA-N,C4H10Cl2Si,157.11,155.9928822,,0,55,0,0,0,1,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"ACETONITRILE, DIETHOXY-",006136-93-2,80223,"2,2-diethoxyacetonitrile",CCOC(C#N)OCC,"InChI=1S/C6H11NO2/c1-3-8-6(5-7)9-4-2/h6H,3-4H2,1-2H3",UDELMRIGXNCYLU-UHFFFAOYSA-N,C6H11NO2,129.16,129.0789786,0.6,42.3,98,0,0,3,4,9,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"3-HEPTANONE, 4-METHYL-",006137-11-7,22512,4-methylheptan-3-one,CCCC(C)C(=O)CC,"InChI=1S/C8H16O/c1-4-6-7(3)8(9)5-2/h7H,4-6H2,1-3H3",MVLRILUUXLBENA-UHFFFAOYSA-N,C8H16O,128.21,128.1201151,2.4,17.1,86,0,0,1,4,9,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-PENTYN-1-OL,006261-22-9,80421,pent-2-yn-1-ol,CCC#CCO,"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3",WLPYSOCRPHTIDZ-UHFFFAOYSA-N,C5H8O,84.12,84.05751487,0.6,20.2,72,0,1,1,0,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-BUTENOIC ACID, 2-METHYL-, METHYL ESTER, (E)-",006622-76-0,5323652,methyl (E)-2-methylbut-2-enoate,C/C=C(\C)/C(=O)OC,"InChI=1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4+",YYJWBYNQJLBIGS-SNAWJCMRSA-N,C6H10O2,114.14,114.0680796,1.3,26.3,114,0,0,2,2,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"4-HEPTENAL, (Z)-",006728-31-0,5362814,(Z)-hept-4-enal,CC/C=C\CCC=O,"InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-4,7H,2,5-6H2,1H3/b4-3-",VVGOCOMZRGWHPI-ARJAWSKDSA-N,C7H12O,112.17,112.088815,1.4,17.1,74,0,0,1,4,8,,60.00 °C. @ 30.00 mm Hg,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0
"2-BUTEN-1-OL, ACETATE, (E)-",007204-29-7,5363082,[(E)-but-2-enyl] acetate,C/C=C/COC(=O)C,"InChI=1S/C6H10O2/c1-3-4-5-8-6(2)7/h3-4H,5H2,1-2H3/b4-3+",WNHXJHGRIHUOTG-ONEGZZNKSA-N,C6H10O2,114.14,114.0680796,1.2,26.3,94,0,0,2,3,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 3-[(2-METHOXY-2-OXOETHYL)THIO]-, METHYL ESTER",007400-45-5,81891,methyl 3-(2-methoxy-2-oxoethyl)sulfanylpropanoate,COC(=O)CCSCC(=O)OC,"InChI=1S/C7H12O4S/c1-10-6(8)3-4-12-5-7(9)11-2/h3-5H2,1-2H3",XNDKLLFGXIEGKL-UHFFFAOYSA-N,C7H12O4S,192.24,192.04563,0.6,77.9,157,0,0,5,7,12,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"3,5-HEPTANEDIONE",007424-54-6,81923,"heptane-3,5-dione",CCC(=O)CC(=O)CC,"InChI=1S/C7H12O2/c1-3-6(8)5-7(9)4-2/h3-5H2,1-2H3",DGCTVLNZTFDPDJ-UHFFFAOYSA-N,C7H12O2,128.17,128.0837296,0.7,34.1,102,0,0,2,4,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"BUTANOIC ACID, 2-ETHYL-, 2-PROPENYL ESTER",007493-69-8,61408,prop-2-enyl 2-ethylbutanoate,CCC(CC)C(=O)OCC=C,"InChI=1S/C9H16O2/c1-4-7-11-9(10)8(5-2)6-3/h4,8H,1,5-7H2,2-3H3",NBKXNUWCFMZFMM-UHFFFAOYSA-N,C9H16O2,156.22,156.1150297,2.5,26.3,126,0,0,2,6,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-BUTENOIC ACID, 2-METHYL-, 2-METHYLPROPYL ESTER, (Z)-",007779-81-9,5367807,2-methylpropyl (Z)-2-methylbut-2-enoate,C/C=C(/C)\C(=O)OCC(C)C,"InChI=1S/C9H16O2/c1-5-8(4)9(10)11-6-7(2)3/h5,7H,6H2,1-4H3/b8-5-",XDEGQMQKHFPBEW-YVMONPNESA-N,C9H16O2,156.22,156.1150297,2.9,26.3,157,0,0,2,4,11,,176.00 to 177.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, 2-ETHYLBUTYL ESTER",010031-87-5,61448,2-ethylbutyl acetate,CCC(CC)COC(=O)C,"InChI=1S/C8H16O2/c1-4-8(5-2)6-10-7(3)9/h8H,4-6H2,1-3H3",HQLKZWRSOHTERR-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,2.6,26.3,95,0,0,2,5,10,"130 °F (NFPA, 2010)",161.00 to 163.00 °C. @ 740.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"HEPTANE, 1,1-DIMETHOXY-",010032-05-0,61453,"1,1-dimethoxyheptane",CCCCCCC(OC)OC,"InChI=1S/C9H20O2/c1-4-5-6-7-8-9(10-2)11-3/h9H,4-8H2,1-3H3",BBMCNYFBAIUERL-UHFFFAOYSA-N,C9H20O2,160.25,160.1463299,3,18.5,70,0,0,2,7,11,,81.00 °C. @ 30.00 mm Hg,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"BUTANOIC ACID, 2-METHYL-, HEXYL ESTER",010032-15-2,24838,hexyl 2-methylbutanoate,CCCCCCOC(=O)C(C)CC,"InChI=1S/C11H22O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h10H,4-9H2,1-3H3",YUECNVSODFDKOQ-UHFFFAOYSA-N,C11H22O2,186.29,186.1619799,3.8,26.3,132,0,0,2,8,13,,105.00 °C. @ 30.00 mm Hg,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-HEXEN-1-OL, ACETATE",010094-40-3,17243,hex-2-enyl acetate,CCCC=CCOC(=O)C,"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3",HRHOWZHRCRZVCU-UHFFFAOYSA-N,C8H14O2,142.2,142.0993797,2,26.3,116,0,0,2,5,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-BUTENOIC ACID, ETHYL ESTER",010544-63-5,12191,ethyl but-2-enoate,CCOC(=O)C=CC,"InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3",ZFDIRQKJPRINOQ-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,1.3,26.3,94,0,0,2,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"SILICIC ACID, ETHYL ESTER",011099-06-2,9877350,ethoxy-hydroxy-oxosilane,CCO[Si](=O)O,"InChI=1S/C2H6O3Si/c1-2-5-6(3)4/h3H,2H2,1H3",JDAIJCNBFIWLJJ-UHFFFAOYSA-N,C2H6O3Si,106.15,106.0086206,,46.5,52,0,1,3,2,6,,,0,0,1,1,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1
"2-BUTANONE, 1-(METHYLTHIO)-",013678-58-5,61656,1-methylsulfanylbutan-2-one,CCC(=O)CSC,"InChI=1S/C5H10OS/c1-3-5(6)4-7-2/h3-4H2,1-2H3",GOAGGJDTOMPTSA-UHFFFAOYSA-N,C5H10OS,118.2,118.0452361,1.1,42.4,61,0,0,2,3,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-METHYL-, 2,2,3,3,4,4,4-HEPTAFLUOROBUTYL ESTER",013695-31-3,83666,"2,2,3,3,4,4,4-heptafluorobutyl 2-methylprop-2-enoate",CC(=C)C(=O)OCC(C(C(F)(F)F)(F)F)(F)F,"InChI=1S/C8H7F7O2/c1-4(2)5(16)17-3-6(9,10)7(11,12)8(13,14)15/h1,3H2,2H3",VIEHKBXCWMMOOU-UHFFFAOYSA-N,C8H7F7O2,268.13,268.0334266,3.5,26.3,318,0,0,9,5,17,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-HEXENOIC ACID, METHYL ESTER, (E)-",013894-63-8,5364409,methyl (E)-hex-2-enoate,CCC/C=C/C(=O)OC,"InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h5-6H,3-4H2,1-2H3/b6-5+",GFUGBRNILVVWIE-AATRIKPKSA-N,C7H12O2,128.17,128.0837296,1.9,26.3,105,0,0,2,4,9,,168.00 to 170.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"METHANOL, DIETHOXY-, ACETATE",014036-06-7,84166,diethoxymethyl acetate,CCOC(OCC)OC(=O)C,"InChI=1S/C7H14O4/c1-4-9-7(10-5-2)11-6(3)8/h7H,4-5H2,1-3H3",IRUNKQSGDBYUDC-UHFFFAOYSA-N,C7H14O4,162.18,162.0892089,0.8,44.8,107,0,0,4,6,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-PENTENAL, 2-METHYL-, (E)-",014250-96-5,5319754,(E)-2-methylpent-2-enal,CC/C=C(\C)/C=O,"InChI=1S/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3/b6-4+",IDEYZABHVQLHAF-GQCTYLIASA-N,C6H10O,98.14,98.07316494,1.4,17.1,82,0,0,1,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"SILANE, ETHENYLTRIS[(1-METHYLETHENYL)OXY]-",015332-99-7,84872,ethenyl-tris(prop-1-en-2-yloxy)silane,CC(=C)O[Si](C=C)(OC(=C)C)OC(=C)C,"InChI=1S/C11H18O3Si/c1-8-15(12-9(2)3,13-10(4)5)14-11(6)7/h8H,1-2,4,6H2,3,5,7H3",GBFVZTUQONJGSL-UHFFFAOYSA-N,C11H18O3Si,226.34,226.102521,,27.7,253,0,0,3,7,15,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"FORMAMIDE, N,N-BIS(TRIMETHYLSILYL)-",015500-60-4,84952,"N,N-bis(trimethylsilyl)formamide",C[Si](C)(C)N(C=O)[Si](C)(C)C,"InChI=1S/C7H19NOSi2/c1-10(2,3)8(7-9)11(4,5)6/h7H,1-6H3",FRCLVJBDJNNNGI-UHFFFAOYSA-N,C7H19NOSi2,189.4,189.1005173,,20.3,132,0,0,1,2,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PROPANE, 1-IODO-2,2-DIMETHYL-",015501-33-4,84953,"1-iodo-2,2-dimethylpropane",CC(C)(C)CI,"InChI=1S/C5H11I/c1-5(2,3)4-6/h4H2,1-3H3",CJTZXIJETZZARD-UHFFFAOYSA-N,C5H11I,198.05,197.99055,3.2,0,33,0,0,0,1,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BUTANOIC ACID, 2-METHYL-, BUTYL ESTER",015706-73-7,61812,butyl 2-methylbutanoate,CCCCOC(=O)C(C)CC,"InChI=1S/C9H18O2/c1-4-6-7-11-9(10)8(3)5-2/h8H,4-7H2,1-3H3",OTKQNSSMCDLVQV-UHFFFAOYSA-N,C9H18O2,158.24,158.1306798,2.8,26.3,110,0,0,2,6,11,,179.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"OCTANE, 3,6-DIMETHYL-",015869-94-0,85927,"3,6-dimethyloctane",CCC(C)CCC(C)CC,"InChI=1S/C10H22/c1-5-9(3)7-8-10(4)6-2/h9-10H,5-8H2,1-4H3",JEEQUUSFXYRPRK-UHFFFAOYSA-N,C10H22,142.28,142.1721507,5.1,0,56,0,0,0,5,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"PROPANAL, 2-METHYL-2-(METHYLTHIO)-",016042-21-0,85250,2-methyl-2-methylsulfanylpropanal,CC(C)(C=O)SC,"InChI=1S/C5H10OS/c1-5(2,4-6)7-3/h4H,1-3H3",DIPLXSBTYRDLGV-UHFFFAOYSA-N,C5H10OS,118.2,118.0452361,1,42.4,68,0,0,2,2,7,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-PROPENE, 1,3,3-TRIMETHOXY-",017576-35-1,86587,"1,3,3-trimethoxyprop-1-ene",COC=CC(OC)OC,"InChI=1S/C6H12O3/c1-7-5-4-6(8-2)9-3/h4-6H,1-3H3",JGVSIZVWGGQMPY-UHFFFAOYSA-N,C6H12O3,132.16,132.0786442,0.3,27.7,76,0,0,3,4,9,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"PROPANOIC ACID, 2-CHLORO-, METHYL ESTER",017639-93-9,28659,methyl 2-chloropropanoate,CC(C(=O)OC)Cl,"InChI=1S/C4H7ClO2/c1-3(5)4(6)7-2/h3H,1-2H3",JLEJCNOTNLZCHQ-UHFFFAOYSA-N,C4H7ClO2,122.55,122.0134572,1.1,26.3,72,0,0,2,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"TRISILOXANE, 1,1,1,3,5,5,5-HEPTAMETHYL-3-[(TRIMETHYLSILYL)OXY]-",017928-28-8,28838,trimethyl-[methyl-bis(trimethylsilyloxy)silyl]oxysilane,C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C,"InChI=1S/C10H30O3Si4/c1-14(2,3)11-17(10,12-15(4,5)6)13-16(7,8)9/h1-10H3",RGMZNZABJYWAEC-UHFFFAOYSA-N,C10H30O3Si4,310.68,310.127201,,27.7,209,0,0,3,6,17,"187 °F (NTP, 1992)","381 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,1,1
"SILANE, ETHENYLTRIS(1-METHYLETHOXY)-",018023-33-1,87409,ethenyl-tri(propan-2-yloxy)silane,CC(C)O[Si](C=C)(OC(C)C)OC(C)C,"InChI=1S/C11H24O3Si/c1-8-15(12-9(2)3,13-10(4)5)14-11(6)7/h8-11H,1H2,2-7H3",MABAWBWRUSBLKQ-UHFFFAOYSA-N,C11H24O3Si,232.39,232.1494712,,27.7,164,0,0,3,7,15,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"SILANE, (3-CHLOROPROPYL)DIMETHOXYMETHYL-",018171-19-2,87491,3-chloropropyl-dimethoxy-methylsilane,CO[Si](C)(CCCCl)OC,"InChI=1S/C6H15ClO2Si/c1-8-10(3,9-2)6-4-5-7/h4-6H2,1-3H3",KNTKCYKJRSMRMZ-UHFFFAOYSA-N,C6H15ClO2Si,182.72,182.0529839,,18.5,85,0,0,2,5,10,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"SILANE, DIMETHOXYBIS(1-METHYLETHYL)-",018230-61-0,87520,dimethoxy-di(propan-2-yl)silane,CC(C)[Si](C(C)C)(OC)OC,"InChI=1S/C8H20O2Si/c1-7(2)11(9-5,10-6)8(3)4/h7-8H,1-6H3",VHPUZTHRFWIGAW-UHFFFAOYSA-N,C8H20O2Si,176.33,176.1232564,,18.5,98,0,0,2,4,11,,,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,1,1,0,0
"SILANE, (2-CHLOROETHYL)TRIETHOXY-",018279-67-9,87550,2-chloroethyl(triethoxy)silane,CCO[Si](CCCl)(OCC)OCC,"InChI=1S/C8H19ClO3Si/c1-4-10-13(8-7-9,11-5-2)12-6-3/h4-8H2,1-3H3",IKBFHCBHLOZDKH-UHFFFAOYSA-N,C8H19ClO3Si,226.77,226.0791987,,27.7,107,0,0,3,8,13,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"3,5-HEPTANEDIONE, 2,6-DIMETHYL-",018362-64-6,87597,"2,6-dimethylheptane-3,5-dione",CC(C)C(=O)CC(=O)C(C)C,"InChI=1S/C9H16O2/c1-6(2)8(10)5-9(11)7(3)4/h6-7H,5H2,1-4H3",CEGGECULKVTYMM-UHFFFAOYSA-N,C9H16O2,156.22,156.1150297,1.9,34.1,139,0,0,2,4,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"DISILOXANE, 1,3-DIETHOXY-1,1,3,3-TETRAMETHYL-",018420-09-2,87635,ethoxy-[ethoxy(dimethyl)silyl]oxy-dimethylsilane,CCO[Si](C)(C)O[Si](C)(C)OCC,"InChI=1S/C8H22O3Si2/c1-7-9-12(3,4)11-13(5,6)10-8-2/h7-8H2,1-6H3",NPOYZXWZANURMM-UHFFFAOYSA-N,C8H22O3Si2,222.43,222.1107476,,27.7,132,0,0,3,6,13,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-HEPTANONE, 4,6-DIMETHYL-",019549-80-5,89180,"4,6-dimethylheptan-2-one",CC(C)CC(C)CC(=O)C,"InChI=1S/C9H18O/c1-7(2)5-8(3)6-9(4)10/h7-8H,5-6H2,1-4H3",YXFDTUKUWNQPFV-UHFFFAOYSA-N,C9H18O,142.24,142.1357652,2.5,17.1,105,0,0,1,4,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
"PROPANOIC ACID, 2-MERCAPTO-, ETHYL ESTER",019788-49-9,519709,ethyl 2-sulfanylpropanoate,CCOC(=O)C(C)S,"InChI=1S/C5H10O2S/c1-3-7-5(6)4(2)8/h4,8H,3H2,1-2H3",LXXNWCFBZHKFPT-UHFFFAOYSA-N,C5H10O2S,134.2,134.0401507,1.2,27.3,82,0,1,3,3,8,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-PENTANONE, 4-MERCAPTO-4-METHYL-",019872-52-7,88290,4-methyl-4-sulfanylpentan-2-one,CC(=O)CC(C)(C)S,"InChI=1S/C6H12OS/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3",QRNZMFDCKKEPSX-UHFFFAOYSA-N,C6H12OS,132.23,132.0608862,0.8,18.1,96,0,1,2,2,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"7-DECENAL, (Z)-",021661-97-2,5362695,(Z)-dec-7-enal,CC/C=C\CCCCCC=O,"InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,10H,2,5-9H2,1H3/b4-3-",UZFFFFWQKMPLAC-ARJAWSKDSA-N,C10H18O,154.25,154.1357652,2.9,17.1,105,0,0,1,7,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"3-HEXENE, 1-CHLORO-, (Z)-",021676-01-7,6436531,(Z)-1-chlorohex-3-ene,CC/C=C\CCCl,"InChI=1S/C6H11Cl/c1-2-3-4-5-6-7/h3-4H,2,5-6H2,1H3/b4-3-",ODDBBUZTMLEZBW-ARJAWSKDSA-N,C6H11Cl,118.6,118.054928,2.6,0,48,0,0,0,3,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PROPANENITRILE, 3-[2-(DIMETHYLAMINO)ETHOXY]-",022397-29-1,89692,3-[2-(dimethylamino)ethoxy]propanenitrile,CN(C)CCOCCC#N,"InChI=1S/C7H14N2O/c1-9(2)5-7-10-6-3-4-8/h3,5-7H2,1-2H3",MNAXYNVBGBASIG-UHFFFAOYSA-N,C7H14N2O,142.2,142.1106131,-0.2,36.3,114,0,0,3,5,10,,,0,0,0,0,0,1,1,1,1,0,0,0,0,0,0,0,1,0,0,0
"2-PROPANOL, 1-(2-METHYLPROPOXY)-",023436-19-3,31904,1-(2-methylpropoxy)propan-2-ol,CC(C)COCC(C)O,"InChI=1S/C7H16O2/c1-6(2)4-9-5-7(3)8/h6-8H,4-5H2,1-3H3",MWGRRMQNSQNFID-UHFFFAOYSA-N,C7H16O2,132.2,132.1150297,1.2,29.5,61,0,1,2,4,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BUTANETHIOIC ACID, 3-METHYL-, S-METHYL ESTER",023747-45-7,90246,S-methyl 3-methylbutanethioate,CC(C)CC(=O)SC,"InChI=1S/C6H12OS/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3",MPLWTJZAFOVXKP-UHFFFAOYSA-N,C6H12OS,132.23,132.0608862,1.9,42.4,78,0,0,2,3,8,,157.00 to 158.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PENTANE, 1-BROMO-2-METHYL-",025346-33-2,91416,1-bromo-2-methylpentane,CCCC(C)CBr,"InChI=1S/C6H13Br/c1-3-4-6(2)5-7/h6H,3-5H2,1-2H3",GSYMWZIKZUHBKV-UHFFFAOYSA-N,C6H13Br,165.07,164.02006,3.2,0,35,0,0,0,3,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TERT-NONANETHIOL,025360-10-5,520196,2-methyloctane-2-thiol,CCCCCCC(C)(C)S,"InChI=1S/C9H20S/c1-4-5-6-7-8-9(2,3)10/h10H,4-8H2,1-3H3",MPBLPZLNKKGCGP-UHFFFAOYSA-N,C9H20S,160.32,160.1285718,4,1,76,0,1,1,5,10,,,1,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
"PENTANOIC ACID, 4-METHYL-, ETHYL ESTER",025415-67-2,117477,ethyl 4-methylpentanoate,CCOC(=O)CCC(C)C,"InChI=1S/C8H16O2/c1-4-10-8(9)6-5-7(2)3/h7H,4-6H2,1-3H3",OFQRUTMGVBMTFQ-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,2.1,26.3,97,0,0,2,5,10,,160.00 to 163.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
1-TRIDECYNE,026186-02-7,117754,tridec-1-yne,CCCCCCCCCCCC#C,"InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1H,4-13H2,2H3",GZEDKDBFUBPZNG-UHFFFAOYSA-N,C13H24,180.33,180.1878008,6.2,0,126,0,0,0,9,13,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
NONENE,027215-95-8,33744,non-2-ene,CCCCCCC=CC,"InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3,5H,4,6-9H2,1-2H3",IICQZTQZQSBHBY-UHFFFAOYSA-N,C9H18,126.24,126.1408506,4.8,0,62,0,0,0,5,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"3-HEXENE, 1-(1-ETHOXYETHOXY)-, (Z)-",028069-74-1,5366352,(Z)-1-(1-ethoxyethoxy)hex-3-ene,CC/C=C\CCOC(C)OCC,"InChI=1S/C10H20O2/c1-4-6-7-8-9-12-10(3)11-5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-",PAEBAEDUARAOSG-SREVYHEPSA-N,C10H20O2,172.26,172.1463299,2.6,18.5,110,0,0,2,7,12,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
METHOXY-1-PROPANOL,028677-93-2,3032390,1-methoxypropan-1-ol,CCC(O)OC,"InChI=1S/C4H10O2/c1-3-4(5)6-2/h4-5H,3H2,1-2H3",LHENQXAPVKABON-UHFFFAOYSA-N,C4H10O2,90.12,90.06807956,0.5,29.5,28,0,1,2,2,6,,"Very high (USCG, 1999)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PENTANE, 2-BROMO-4-METHYL-",030310-22-6,121776,2-bromo-4-methylpentane,CC(C)CC(C)Br,"InChI=1S/C6H13Br/c1-5(2)4-6(3)7/h5-6H,4H2,1-3H3",IUXIOXCOPJFKMQ-UHFFFAOYSA-N,C6H13Br,165.07,164.02006,3.1,0,41,0,0,0,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,4-HEXANEDIONE, 1,1,1-TRIFLUORO-5-METHYL-",030984-28-2,160191,"1,1,1-trifluoro-5-methylhexane-2,4-dione",CC(C)C(=O)CC(=O)C(F)(F)F,"InChI=1S/C7H9F3O2/c1-4(2)5(11)3-6(12)7(8,9)10/h4H,3H2,1-2H3",LOTZGJDCTDDVCS-UHFFFAOYSA-N,C7H9F3O2,182.14,182.055464,2,34.1,193,0,0,5,3,12,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BUTANOIC ACID, 3-METHYL-, 1-METHYLETHYL ESTER",032665-23-9,61914,propan-2-yl 3-methylbutanoate,CC(C)CC(=O)OC(C)C,"InChI=1S/C8H16O2/c1-6(2)5-8(9)10-7(3)4/h6-7H,5H2,1-4H3",ZOIRKXLFEHOVER-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,2.2,26.3,106,0,0,2,4,10,,142.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"3-PENTANONE, 1-CHLORO-",032830-97-0,96526,1-chloropentan-3-one,CCC(=O)CCCl,"InChI=1S/C5H9ClO/c1-2-5(7)3-4-6/h2-4H2,1H3",APNSUHRNUVUCIP-UHFFFAOYSA-N,C5H9ClO,120.58,120.0341926,0.9,17.1,61,0,0,1,3,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"3-HEXEN-1-OL, FORMATE, (Z)-",033467-73-1,5365587,[(Z)-hex-3-enyl] formate,CC/C=C\CCOC=O,"InChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h3-4,7H,2,5-6H2,1H3/b4-3-",XJHQVZQZUGLZLS-ARJAWSKDSA-N,C7H12O2,128.17,128.0837296,1.9,26.3,86,0,0,2,5,9,,72.00 °C. @ 40.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-HEPTEN-1-OL, (E)-",033467-76-4,5318017,(E)-hept-2-en-1-ol,CCCC/C=C/CO,"InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h5-6,8H,2-4,7H2,1H3/b6-5+",ASFYPVGAALGVNR-AATRIKPKSA-N,C7H14O,114.19,114.1044651,1.9,20.2,57,0,1,1,4,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"2-HEPTENAL, 2-PROPYL-",034880-43-8,6386353,(Z)-2-propylhept-2-enal,CCCC/C=C(/CCC)\C=O,"InChI=1S/C10H18O/c1-3-5-6-8-10(9-11)7-4-2/h8-9H,3-7H2,1-2H3/b10-8-",GADNZGQWPNTMCH-NTMALXAHSA-N,C10H18O,154.25,154.1357652,3.4,17.1,125,0,0,1,6,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0
"BUTANOIC ACID, 3-METHYL-, 3-HEXENYL ESTER, (Z)-",035154-45-1,5367681,[(Z)-hex-3-enyl] 3-methylbutanoate,CC/C=C\CCOC(=O)CC(C)C,"InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5-",AIQLNKITFBJPFO-WAYWQWQTSA-N,C11H20O2,184.27,184.1463299,3.2,26.3,159,0,0,2,7,13,,98.00 °C. @ 15.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1-BUTANAMINE, 3-METHYL-N-(3-METHYLBUTYLIDENE)-",035448-31-8,118823,3-methyl-N-(3-methylbutyl)butan-1-imine,CC(C)CCN=CCC(C)C,"InChI=1S/C10H21N/c1-9(2)5-7-11-8-6-10(3)4/h7,9-10H,5-6,8H2,1-4H3",WYNULUURQZBBSK-UHFFFAOYSA-N,C10H21N,155.28,155.1673997,2.8,12.4,103,0,0,1,5,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2,6-OCTADIENE-1-THIOL, 3,7-DIMETHYL-",038237-00-2,6365572,"(2E)-3,7-dimethylocta-2,6-diene-1-thiol",CC(=CCC/C(=C/CS)/C)C,"InChI=1S/C10H18S/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+",FACAUSJJVBMWLV-JXMROGBWSA-N,C10H18S,170.32,170.1129218,3.9,1,150,0,1,1,4,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1
"PENTANOIC ACID, 2-METHYL-, ETHYL ESTER",039255-32-8,62902,ethyl 2-methylpentanoate,CCCC(C)C(=O)OCC,"InChI=1S/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3",HZPKNSYIDSNZKW-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,2.4,26.3,99,0,0,2,5,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-HEPTENE, 2,4,4,6,6-PENTAMETHYL-",039761-68-7,170244,"2,4,4,6,6-pentamethylhept-2-ene",CC(=CC(C)(C)CC(C)(C)C)C,"InChI=1S/C12H24/c1-10(2)8-12(6,7)9-11(3,4)5/h8H,9H2,1-7H3",DRHABPMHZRIRAH-UHFFFAOYSA-N,C12H24,168.32,168.1878008,5.3,0,161,0,0,0,3,12,,"350.6 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-BUTANONE, 3-MERCAPTO-",040789-98-8,38679,3-sulfanylbutan-2-one,CC(C(=O)C)S,"InChI=1S/C4H8OS/c1-3(5)4(2)6/h4,6H,1-2H3",XLMPYCGSRHSSSX-UHFFFAOYSA-N,C4H8OS,104.17,104.0295861,0.7,18.1,60,0,1,2,1,6,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"ETHANE, 1-(2-CHLOROETHOXY)-2-ETHOXY-",041771-35-1,170577,1-(2-chloroethoxy)-2-ethoxyethane,CCOCCOCCCl,"InChI=1S/C6H13ClO2/c1-2-8-5-6-9-4-3-7/h2-6H2,1H3",NDDRUUNXMMRCIV-UHFFFAOYSA-N,C6H13ClO2,152.62,152.0604073,0.8,18.5,50,0,0,2,6,9,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-METHYLBUTYL ESTER",044914-03-6,162070,2-methylbutyl prop-2-enoate,CCC(C)COC(=O)C=C,"InChI=1S/C8H14O2/c1-4-7(3)6-10-8(9)5-2/h5,7H,2,4,6H2,1,3H3",NCTBYWFEJFTVEL-UHFFFAOYSA-N,C8H14O2,142.2,142.0993797,2.6,26.3,118,0,0,2,5,10,,,0,0,1,0,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,1
"1,3,7-NONATRIENE, 4,8-DIMETHYL-",051911-82-1,103555,"4,8-dimethylnona-1,3,7-triene",CC(=CCCC(=CC=C)C)C,"InChI=1S/C11H18/c1-5-7-11(4)9-6-8-10(2)3/h5,7-8H,1,6,9H2,2-4H3",LUKZREJJLWEWQM-UHFFFAOYSA-N,C11H18,150.26,150.1408506,4.6,0,166,0,0,0,4,11,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,2-ETHOXYPROPANOL",052125-53-8,93269,1-ethoxypropan-1-ol,CCC(O)OCC,"InChI=1S/C5H12O2/c1-3-5(6)7-4-2/h5-6H,3-4H2,1-2H3",JLBXCKSMESLGTJ-UHFFFAOYSA-N,C5H12O2,104.15,104.0837296,0.8,29.5,37,0,1,2,3,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
"HEPTANE, 1-BROMO-6-METHYL-",052648-04-1,104270,1-bromo-6-methylheptane,CC(C)CCCCCBr,"InChI=1S/C8H17Br/c1-8(2)6-4-3-5-7-9/h8H,3-7H2,1-2H3",BFYPQDKZLOZOLQ-UHFFFAOYSA-N,C8H17Br,193.12,192.05136,4.6,0,50,0,0,0,5,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"ETHANE, 1-(2-CHLOROETHOXY)-2-METHOXY-",052808-36-3,94934,1-(2-chloroethoxy)-2-methoxyethane,COCCOCCCl,"InChI=1S/C5H11ClO2/c1-7-4-5-8-3-2-6/h2-5H2,1H3",JIQXRLOYKOJECL-UHFFFAOYSA-N,C5H11ClO2,138.59,138.0447573,0.4,18.5,41,0,0,2,5,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-HEXEN-1-OL, FORMATE, (E)-",053398-78-0,5352972,[(E)-hex-2-enyl] formate,CCC/C=C/COC=O,"InChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h4-5,7H,2-3,6H2,1H3/b5-4+",SLWYMCAVYPZTRN-SNAWJCMRSA-N,C7H12O2,128.17,128.0837296,2,26.3,86,0,0,2,5,9,,42.00 °C. @ 1.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"4-PENTENOIC ACID, 2-METHYL-, ETHYL ESTER",053399-81-8,62024,ethyl 2-methylpent-4-enoate,CCOC(=O)C(C)CC=C,"InChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h4,7H,1,5-6H2,2-3H3",BDBGKYIBDXAVMX-UHFFFAOYSA-N,C8H14O2,142.2,142.0993797,2.1,26.3,118,0,0,2,5,10,,153.00 to 155.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-BUTANOL, 1-METHOXY-",053778-73-7,40895,1-methoxybutan-2-ol,CCC(COC)O,"InChI=1S/C5H12O2/c1-3-5(6)4-7-2/h5-6H,3-4H2,1-2H3",CSZZMFWKAQEMPB-UHFFFAOYSA-N,C5H12O2,104.15,104.0837296,0.4,29.5,37,0,1,2,3,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,5-DECADIYNE",053963-03-4,104660,"deca-1,5-diyne",CCCCC#CCCC#C,"InChI=1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h1H,4-8H2,2H3",IWIDILFDSIIOSB-UHFFFAOYSA-N,C10H14,134.22,134.1095504,3.4,0,166,0,0,0,3,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"OCTANE, 1,1-DIETHOXY-",054889-48-4,101364,"1,1-diethoxyoctane",CCCCCCCC(OCC)OCC,"InChI=1S/C12H26O2/c1-4-7-8-9-10-11-12(13-5-2)14-6-3/h12H,4-11H2,1-3H3",BRKIPAWFUDCCOO-UHFFFAOYSA-N,C12H26O2,202.33,202.1932801,4.2,18.5,98,0,0,2,10,14,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-OCTANONE, 5-METHYL-",058654-67-4,42802,5-methyloctan-2-one,CCCC(C)CCC(=O)C,"InChI=1S/C9H18O/c1-4-5-8(2)6-7-9(3)10/h8H,4-7H2,1-3H3",UPVLGOPSYZTLGB-UHFFFAOYSA-N,C9H18O,142.24,142.1357652,2.9,17.1,96,0,0,1,5,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"HEPTANE, 2,2,4,4,6-PENTAMETHYL-",062199-62-6,112817,"2,2,4,4,6-pentamethylheptane",CC(C)CC(C)(C)CC(C)(C)C,"InChI=1S/C12H26/c1-10(2)8-12(6,7)9-11(3,4)5/h10H,8-9H2,1-7H3",NOFQKTWPZFUCOO-UHFFFAOYSA-N,C12H26,170.33,170.2034508,5.6,0,123,0,0,0,4,12,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PETROLEUM SPIRITS; (MINERALV SPIRITS NAPHTHA, SEEREV.14,630)",064475-85-0,168266335,terbium,[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb],InChI=1S/85Tb,GILOWISGYVOJTQ-UHFFFAOYSA-N,Tb85,13508.655,13508.655,,0,0,0,0,0,0,85,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"BUTANOIC ACID, 2-METHYL-, 1-METHYLETHYL ESTER",066576-71-4,522214,propan-2-yl 2-methylbutanoate,CCC(C)C(=O)OC(C)C,"InChI=1S/C8H16O2/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3",DIRDKDDFAMNBNY-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,2.3,26.3,108,0,0,2,4,10,,140.00 to 144.00 °C. @ 727.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PROPANE, 2-(2-METHOXYETHOXY)-2-METHYL-",066728-50-5,105381,2-(2-methoxyethoxy)-2-methylpropane,CC(C)(C)OCCOC,"InChI=1S/C7H16O2/c1-7(2,3)9-6-5-8-4/h5-6H2,1-4H3",FQQBAHSCHMASLR-UHFFFAOYSA-N,C7H16O2,132.2,132.1150297,0.9,18.5,63,0,0,2,4,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"SILANE, DIETHENYLDIETHOXY-",067892-60-8,105986,bis(ethenyl)-diethoxysilane,CCO[Si](C=C)(C=C)OCC,"InChI=1S/C8H16O2Si/c1-5-9-11(7-3,8-4)10-6-2/h7-8H,3-6H2,1-2H3",CSXPRVTYIFRYPR-UHFFFAOYSA-N,C8H16O2Si,172.3,172.0919563,,18.5,118,0,0,2,6,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"9-UNDECEN-2-ONE, 4-HYDROXY-3,6,10-TRIMETHYL-",068141-16-2,109182,"4-hydroxy-3,6,10-trimethylundec-9-en-2-one",CC(CCC=C(C)C)CC(C(C)C(=O)C)O,"InChI=1S/C14H26O2/c1-10(2)7-6-8-11(3)9-14(16)12(4)13(5)15/h7,11-12,14,16H,6,8-9H2,1-5H3",DBYVTQFXXWPQMN-UHFFFAOYSA-N,C14H26O2,226.35,226.1932801,3.5,37.3,239,0,1,2,7,16,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"10-DODECEN-3-ONE, 5-HYDROXY-7,11-DIMETHYL-",068922-12-3,111441,"5-hydroxy-7,11-dimethyldodec-10-en-3-one",CCC(=O)CC(CC(C)CCC=C(C)C)O,"InChI=1S/C14H26O2/c1-5-13(15)10-14(16)9-12(4)8-6-7-11(2)3/h7,12,14,16H,5-6,8-10H2,1-4H3",LZCOUZAIBZKDOG-UHFFFAOYSA-N,C14H26O2,226.35,226.1932801,3.4,37.3,227,0,1,2,8,16,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"ISOOCTANE, 1,1-DIETHOXY-",069178-43-4,112252,"1,1-diethoxy-6-methylheptane",CCOC(CCCCC(C)C)OCC,"InChI=1S/C12H26O2/c1-5-13-12(14-6-2)10-8-7-9-11(3)4/h11-12H,5-10H2,1-4H3",UGEOLDGWHXDZBP-UHFFFAOYSA-N,C12H26O2,202.33,202.1932801,4,18.5,107,0,0,2,9,14,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 2-CHLORO-, METHYL ESTER, (S)-",073246-45-4,135535,methyl (2S)-2-chloropropanoate,C[C@@H](C(=O)OC)Cl,"InChI=1S/C4H7ClO2/c1-3(5)4(6)7-2/h3H,1-2H3/t3-/m0/s1",JLEJCNOTNLZCHQ-VKHMYHEASA-N,C4H7ClO2,122.55,122.0134572,1.1,26.3,72,0,0,2,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0
"2-BUTANETHIOL, 4-METHOXY-2-METHYL-",094087-83-9,526195,4-methoxy-2-methylbutane-2-thiol,CC(C)(CCOC)S,"InChI=1S/C6H14OS/c1-6(2,8)4-5-7-3/h8H,4-5H2,1-3H3",XVHGKKGBUDMTIQ-UHFFFAOYSA-N,C6H14OS,134.24,134.0765362,1.3,10.2,61,0,1,2,3,8,,159.00 to 160.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
4-ETHOXYBUTANOL,000111-73-9,8131,4-ethoxybutan-1-ol,CCOCCCCO,"InChI=1S/C6H14O2/c1-2-8-6-4-3-5-7/h7H,2-6H2,1H3",QRUOTIJTSNETKW-UHFFFAOYSA-N,C6H14O2,118.17,118.0993797,0.8,29.5,37,0,1,2,5,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ETHOXY PROPANOL,001569-02-4,15287,1-ethoxypropan-2-ol,CCOCC(C)O,"InChI=1S/C5H12O2/c1-3-7-4-5(2)6/h5-6H,3-4H2,1-2H3",JOLQKTGDSGKSKJ-UHFFFAOYSA-N,C5H12O2,104.15,104.0837296,0.2,29.5,37,0,1,2,3,7,35 °C,133 °C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
"1-BUTANOL, ZIRCONIUM(4+) SALT",001071-76-7,160560,tetrakis(butan-1-olate);zirconium(4+),CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Zr+4],"InChI=1S/4C4H9O.Zr/c4*1-2-3-4-5;/h4*2-4H2,1H3;/q4*-1;+4",BSDOQSMQCZQLDV-UHFFFAOYSA-N,C16H36O4Zr,383.68,382.166058,,92.2,13,0,0,4,8,21,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0
ALUMINUM DI-S-BUTOXIDE ETHYLACETOACETATE,024772-51-8,54692981,aluminum;bis(butan-2-olate);(Z)-4-ethoxy-4-oxobut-2-en-2-olate,CCC(C)[O-].CCC(C)[O-].CCOC(=O)/C=C(/C)\[O-].[Al+3],"InChI=1S/C6H10O3.2C4H9O.Al/c1-3-9-6(8)4-5(2)7;2*1-3-4(2)5;/h4,7H,3H2,1-2H3;2*4H,3H2,1-2H3;/q;2*-1;+3/p-1/b5-4-;;;",FNZMQCYGPHUYMI-OAWHIZORSA-M,C14H27AlO5,302.34,302.1673874,,95.5,146,0,0,5,5,20,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,4,6,8-TETRAOXANONANE",013353-03-2,54136657,methoxy(methoxymethoxymethoxy)methane,COCOCOCOC,"InChI=1S/C5H12O4/c1-6-3-8-5-9-4-7-2/h3-5H2,1-2H3",NYENPQBYHWPGNG-UHFFFAOYSA-N,C5H12O4,136.15,136.0735589,-0.1,36.9,42,0,0,4,6,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"TRIETHOXY(2,4,4-TRIMETHYLPENTYL)SILANE",035435-21-3,169694,"triethoxy(2,4,4-trimethylpentyl)silane",CCO[Si](CC(C)CC(C)(C)C)(OCC)OCC,"InChI=1S/C14H32O3Si/c1-8-15-18(16-9-2,17-10-3)12-13(4)11-14(5,6)7/h13H,8-12H2,1-7H3",UWZSHGZRSZICIW-UHFFFAOYSA-N,C14H32O3Si,276.49,276.2120714,,27.7,197,0,0,3,10,18,,,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
"3,5-DIMETHYLOCTANE",015869-93-9,139989,"3,5-dimethyloctane",CCCC(C)CC(C)CC,"InChI=1S/C10H22/c1-5-7-10(4)8-9(3)6-2/h9-10H,5-8H2,1-4H3",VRHRGVJOUHJULC-UHFFFAOYSA-N,C10H22,142.28,142.1721507,5.1,0,66,0,0,0,5,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
4-METHYLNONANE,017301-94-9,28455,4-methylnonane,CCCCCC(C)CCC,"InChI=1S/C10H22/c1-4-6-7-9-10(3)8-5-2/h10H,4-9H2,1-3H3",IALRSQMWHFKJJA-UHFFFAOYSA-N,C10H22,142.28,142.1721507,5.3,0,57,0,0,0,6,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,1,3,3-TETRAMETHOXY-1,3-DIMETHYLDISILOXANE",018186-97-5,87496,[dimethoxy(methyl)silyl]oxy-dimethoxy-methylsilane,CO[Si](C)(OC)O[Si](C)(OC)OC,"InChI=1S/C6H18O5Si2/c1-7-12(5,8-2)11-13(6,9-3)10-4/h1-6H3",JWVHPGDCFVOYMQ-UHFFFAOYSA-N,C6H18O5Si2,226.37,226.0692767,,46.2,130,0,0,5,6,13,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1-CHLORO-2,2-FLUOROETHANE (HCFC-142)",000338-65-8,2736499,"2-chloro-1,1-difluoroethane",C(C(F)F)Cl,"InChI=1S/C2H3ClF2/c3-1-2(4)5/h2H,1H2",ATEBGNALLCMSGS-UHFFFAOYSA-N,C2H3ClF2,100.49,99.9891341,1.7,0,21,0,0,2,1,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
GALLIUM (III) ISOPROPOXIDE,,22253272,gallium tris(propan-2-olate),CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ga+3],"InChI=1S/3C3H7O.Ga/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3",RLVZHWWAGSWRBR-UHFFFAOYSA-N,C9H21GaO3,246.98,246.07464,,69.2,10,0,0,3,0,13,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
PROPYL VALERATE,,67328,propyl pentanoate,CCCCC(=O)OCCC,"InChI=1S/C8H16O2/c1-3-5-6-8(9)10-7-4-2/h3-7H2,1-2H3",ROJKPKOYARNFNB-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,2.4,26.3,89,0,0,2,6,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"ETHANEPEROXOIC ACID, 1,1-DIMETHYLETHYL ESTER",000107-71-1,61019,tert-butyl ethaneperoxoate,CC(=O)OOC(C)(C)C,"InChI=1S/C6H12O3/c1-5(7)8-9-6(2,3)4/h1-4H3",SWAXTRYEYUTSAP-UHFFFAOYSA-N,C6H12O3,132.16,132.0786442,1.1,35.5,101,0,0,3,3,9,,,0,0,1,1,0,0,1,1,1,0,0,0,1,0,0,1,0,1,0,0
METHYL SILICATE,000681-84-5,12682,tetramethyl silicate,CO[Si](OC)(OC)OC,"InChI=1S/C4H12O4Si/c1-5-9(6-2,7-3)8-4/h1-4H3",LFQCEHFDDXELDD-UHFFFAOYSA-N,C4H12O4Si,152.22,152.0504854,,36.9,55,0,0,4,4,9,"205 °F (NIOSH, 2024)","250 °F at 760 mmHg (NIOSH, 2024)",0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,1,1
ALUMINUM TRI-SEC-BUTOXIDE,002269-22-9,6451513,aluminum tris(butan-1-olate),CCCC[O-].CCCC[O-].CCCC[O-].[Al+3],"InChI=1S/3C4H9O.Al/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3",MYWQGROTKMBNKN-UHFFFAOYSA-N,C12H27AlO3,246.32,246.1775581,,69.2,13,0,0,3,6,16,,,0,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
BROMOACETONE,000598-31-2,11715,1-bromopropan-2-one,CC(=O)CBr,"InChI=1S/C3H5BrO/c1-3(5)2-4/h2H2,1H3",VQFAIAKCILWQPZ-UHFFFAOYSA-N,C3H5BrO,136.98,135.95238,0.7,17.1,42,0,0,1,1,5,"124 °F (USCG, 1999)","277 °F at 760 mmHg (USCG, 1999)",0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"FORMIC ACID, PENTYL ESTER",000638-49-3,12529,pentyl formate,CCCCCOC=O,"InChI=1S/C6H12O2/c1-2-3-4-5-8-6-7/h6H,2-5H2,1H3",DIQMPQMYFZXDAX-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,1.9,26.3,52,0,0,2,5,8,"79 °F (NFPA, 2010)",130.00 to 131.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
2-METHYLNONANE,000871-83-0,13379,2-methylnonane,CCCCCCCC(C)C,"InChI=1S/C10H22/c1-4-5-6-7-8-9-10(2)3/h10H,4-9H2,1-3H3",SGVYKUFIHHTIFL-UHFFFAOYSA-N,C10H22,142.28,142.1721507,5.3,0,55,0,0,0,6,10,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"(E)-2-BUTENOIC ACID, ETHYL ESTER",000623-70-1,429065,ethyl (E)-but-2-enoate,CCOC(=O)/C=C/C,"InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3+",ZFDIRQKJPRINOQ-HWKANZROSA-N,C6H10O2,114.14,114.0680796,1.3,26.3,94,0,0,2,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"2-PENTANOL, 2-ACETATE",000626-38-0,12278,pentan-2-yl acetate,CCCC(C)OC(=O)C,"InChI=1S/C7H14O2/c1-4-5-6(2)9-7(3)8/h6H,4-5H2,1-3H3",GQKZRWSUJHVIPE-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,1.8,26.3,88,0,0,2,4,9,"89 °F (USCG, 1999)","271.4 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
TRIMETHYL BORATE,000121-43-7,8470,trimethyl borate,B(OC)(OC)OC,InChI=1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3,WRECIMRULFAWHA-UHFFFAOYSA-N,C3H9BO3,103.92,104.0644743,,27.7,31,0,0,3,3,7,"less than 80 °F (NFPA, 2010)",67.5 °C,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0
TITANIUM(IV) N-BUTOXIDE,005593-70-4,21801,tetrakis(butan-1-olate);titanium(4+),CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Ti+4],"InChI=1S/4C4H9O.Ti/c4*1-2-3-4-5;/h4*2-4H2,1H3;/q4*-1;+4",YHWCPXVTRSHPNY-UHFFFAOYSA-N,C16H36O4Ti,340.32,340.2093003,,92.2,13,0,0,4,8,21,"170 °F (USCG, 1999)","593 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Phosphorodithioic acid, O,O-dimethyl ester",000756-80-9,12959,dimethoxy-sulfanyl-sulfanylidene-lambda5-phosphane,COP(=S)(OC)S,"InChI=1S/C2H7O2PS2/c1-3-5(6,7)4-2/h1-2H3,(H,6,7)",CZGGKXNYNPJFAX-UHFFFAOYSA-N,C2H7O2PS2,158.18,157.9625088,1.7,51.6,85,0,1,4,2,7,,,0,0,1,1,0,0,1,1,1,0,0,1,0,1,0,0,1,0,0,0
"PROPANAL, 3-(METHYLTHIO)-",003268-49-3,18635,3-methylsulfanylpropanal,CSCCC=O,"InChI=1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3",CLUWOWRTHNNBBU-UHFFFAOYSA-N,C4H8OS,104.17,104.0295861,0.3,42.4,36,0,0,2,3,6,"142 °F (NFPA, 2010)",BP: 62 °C at 11 mm Hg,0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,0
"(E,E)-2,4-HEXADIENAL",000142-83-6,637564,"(2E,4E)-hexa-2,4-dienal",C/C=C/C=C/C=O,"InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+",BATOPAZDIZEVQF-MQQKCMAXSA-N,C6H8O,96.13,96.05751487,1.2,17.1,90,0,0,1,2,7,,174 °C; 76 °C @ 30 mm Hg,0,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,0
"2,5-DIMETHYL-2,5-DI(TERT-BUTYLPEROXY)HEXANE",000078-63-7,6545,"2,5-bis(tert-butylperoxy)-2,5-dimethylhexane",CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C,"InChI=1S/C16H34O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h11-12H2,1-10H3",DMWVYCCGCQPJEA-UHFFFAOYSA-N,C16H34O4,290.44,290.2457096,3.9,36.9,252,0,0,4,9,20,"185 °F (NTP, 1992)","122 to 126 °F at 0.1 mmHg (NTP, 1992)",0,0,0,0,0,0,1,1,1,0,0,0,1,0,0,1,1,0,0,0
TRIBUTYLPHOSPHINE,000998-40-3,13831,tributylphosphane,CCCCP(CCCC)CCCC,"InChI=1S/C12H27P/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3",TUQOTMZNTHZOKS-UHFFFAOYSA-N,C12H27P,202.32,202.1850379,3.7,0,72,0,0,0,9,13,,,0,1,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
SODIUM HYDROSULFIDE,016721-80-5,28015,sodium sulfanide,[Na+].[SH-],InChI=1S/Na.H2S/h;1H2/q+1;/p-1,HYHCSLBZRBJJCH-UHFFFAOYSA-M,HNaS,56.07,55.96966549,,1,2,0,1,1,0,2,,"212 °F at 760 mmHg (approx.) (USCG, 1999)",1,0,0,1,0,0,0,1,1,0,0,1,0,0,0,0,1,0,0,0
"ACETIC ACID, MERCAPTO-, METHYL ESTER",002365-48-2,16907,methyl 2-sulfanylacetate,COC(=O)CS,"InChI=1S/C3H6O2S/c1-5-3(4)2-6/h6H,2H2,1H3",MKIJJIMOAABWGF-UHFFFAOYSA-N,C3H6O2S,106.15,106.0088506,0.4,27.3,52,0,1,3,2,6,,148 °C,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,1
"BUTANOIC ACID, 3-METHYL-, 2-PROPENYL ESTER",002835-39-4,17816,prop-2-enyl 3-methylbutanoate,CC(C)CC(=O)OCC=C,"InChI=1S/C8H14O2/c1-4-5-10-8(9)6-7(2)3/h4,7H,1,5-6H2,2-3H3",HOMAGVUCNZNWBC-UHFFFAOYSA-N,C8H14O2,142.2,142.0993797,2,26.3,116,0,0,2,5,10,"103.5 °F (NTP, 1992)","306.1 °F at 729 mmHg (NTP, 1992)",0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
TRIMETHYL PHOSPHITE,000121-45-9,8472,trimethyl phosphite,COP(OC)OC,InChI=1S/C3H9O3P/c1-4-7(5-2)6-3/h1-3H3,CYTQBVOFDCPGCX-UHFFFAOYSA-N,C3H9O3P,124.08,124.0289311,0.1,27.7,31,0,0,3,3,7,"82 °F (USCG, 1999)","232 °F at 760 mmHg (USCG, 1999)",0,1,1,1,0,0,0,1,1,0,0,0,0,1,0,0,1,0,0,1
DIMETHYL HEXYNOL,000107-54-0,61018,"3,5-dimethylhex-1-yn-3-ol",CC(C)CC(C)(C#C)O,"InChI=1S/C8H14O/c1-5-8(4,9)6-7(2)3/h1,7,9H,6H2,2-4H3",NECRQCBKTGZNMH-UHFFFAOYSA-N,C8H14O,126.2,126.1044651,1.6,20.2,129,0,1,1,3,9,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
2-HEXENAL,000505-57-7,5281168,(E)-hex-2-enal,CCC/C=C/C=O,"InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+",MBDOYVRWFFCFHM-SNAWJCMRSA-N,C6H10O,98.14,98.07316494,1.5,17.1,64,0,0,1,3,7,,47.00 °C. @ 17.00 mm Hg,0,1,0,1,0,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0
"N,N,N-TRIBUTYL-1-BUTANAMINIUM HYDROXIDE",002052-49-5,2723671,tetrabutylazanium hydroxide,CCCC[N+](CCCC)(CCCC)CCCC.[OH-],"InChI=1S/C16H36N.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H2/q+1;/p-1",VDZOOKBUILJEDG-UHFFFAOYSA-M,C16H37NO,259.47,259.2875148,,1,116,0,1,1,12,18,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, MERCAPTO-, 2-ETHYLHEXYL ESTER",007659-86-1,24309,2-ethylhexyl 2-sulfanylacetate,CCCCC(CC)COC(=O)CS,"InChI=1S/C10H20O2S/c1-3-5-6-9(4-2)7-12-10(11)8-13/h9,13H,3-8H2,1-2H3",OWHSTLLOZWTNTQ-UHFFFAOYSA-N,C10H20O2S,204.33,204.1184011,3.6,27.3,137,0,1,3,8,13,,,1,0,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,1
ISODODECANE,031807-55-3,23459,2-methylundecane,CCCCCCCCCC(C)C,"InChI=1S/C12H26/c1-4-5-6-7-8-9-10-11-12(2)3/h12H,4-11H2,1-3H3",GTJOHISYCKPIMT-UHFFFAOYSA-N,C12H26,170.33,170.2034508,6.4,0,74,0,0,0,8,12,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"ETHANOL, 2-(1-METHYLETHOXY)-, ACETATE",019234-20-9,87974,2-propan-2-yloxyethyl acetate,CC(C)OCCOC(=O)C,"InChI=1S/C7H14O3/c1-6(2)9-4-5-10-7(3)8/h6H,4-5H2,1-3H3",HCDJVEYJSSTYSW-UHFFFAOYSA-N,C7H14O3,146.18,146.0942943,0.8,35.5,99,0,0,3,5,10,,,0,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,1,0
OCTADECYLDIMETHYLAMINE,000124-28-7,15365,"N,N-dimethyloctadecan-1-amine",CCCCCCCCCCCCCCCCCCN(C)C,"InChI=1S/C20H43N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h4-20H2,1-3H3",NAPSCFZYZVSQHF-UHFFFAOYSA-N,C20H43N,297.6,297.3395504,9.1,3.2,177,0,0,1,17,21,,,1,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
"HEPTANOIC ACID, ETHYL ESTER",000106-30-9,7797,ethyl heptanoate,CCCCCCC(=O)OCC,"InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3",TVQGDYNRXLTQAP-UHFFFAOYSA-N,C9H18O2,158.24,158.1306798,2.9,26.3,99,0,0,2,7,11,,188.00 to 189.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
ISOBUTYL METHACRYLATE,000097-86-9,7352,2-methylpropyl 2-methylprop-2-enoate,CC(C)COC(=O)C(=C)C,"InChI=1S/C8H14O2/c1-6(2)5-10-8(9)7(3)4/h6H,3,5H2,1-2,4H3",RUMACXVDVNRZJZ-UHFFFAOYSA-N,C8H14O2,142.2,142.0993797,2.7,26.3,136,0,0,2,4,10,"120 °F (NTP, 1992)","311 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,1,0,1
BUTYL METHACRYLATE,000097-88-1,7354,butyl 2-methylprop-2-enoate,CCCCOC(=O)C(=C)C,"InChI=1S/C8H14O2/c1-4-5-6-10-8(9)7(2)3/h2,4-6H2,1,3H3",SOGAXMICEFXMKE-UHFFFAOYSA-N,C8H14O2,142.2,142.0993797,2.9,26.3,127,0,0,2,5,10,"126 °F (NTP, 1992)","326.3 to 338.9 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,1
N-BUTYL ALCOHOL,000071-36-3,263,butan-1-ol,CCCCO,"InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",LRHPLDYGYMQRHN-UHFFFAOYSA-N,C4H10O,74.12,74.07316494,0.9,20.2,13,0,1,1,2,5,"84 °F (USCG, 1999)","243.9 °F at 760 mmHg (USCG, 1999)",0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"N,N'-DIISOPROPYLCARBODIIMIDE",000693-13-0,12734,"N,N'-di(propan-2-yl)methanediimine",CC(C)N=C=NC(C)C,"InChI=1S/C7H14N2/c1-6(2)8-5-9-7(3)4/h6-7H,1-4H3",BDNKZNFMNDZQMI-UHFFFAOYSA-N,C7H14N2,126.2,126.1156985,2.6,24.7,101,0,0,2,2,9,,147 °C,1,0,1,0,0,0,1,1,1,0,0,0,0,0,1,0,1,1,0,1
CALCIUM 2-ETHYLHEXANOATE,000136-51-6,61082,calcium bis(2-ethylhexanoate),CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ca+2],"InChI=1S/2C8H16O2.Ca/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",LTPCXXMGKDQPAO-UHFFFAOYSA-L,C16H30CaO4,326.48,326.1770003,,80.3,93,0,0,4,8,21,,,0,0,0,1,0,0,1,1,1,0,0,0,0,1,1,0,1,1,0,1
PROPYLENE GLYCOL MONOMETHYL ETHER ACETATE,000108-65-6,7946,1-methoxypropan-2-yl acetate,CC(COC)OC(=O)C,"InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3",LLHKCFNBLRBOGN-UHFFFAOYSA-N,C6H12O3,132.16,132.0786442,0.4,35.5,90,0,0,3,4,9,"114 °F (USCG, 1999)","302 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
HYDRAZINE MONOHYDRATE,007803-57-8,24654,hydrazine;hydrate,NN.O,InChI=1S/H4N2.H2O/c1-2;/h1-2H2;1H2,IKDUDTNKRLTJSI-UHFFFAOYSA-N,H6N2O,50.061,50.04801282,,53,0,0,3,3,0,3,,,1,1,1,1,0,1,1,1,1,0,0,0,0,0,0,0,1,1,0,0
COBALT OCTOATE,000136-52-7,8696,cobalt(2+);bis(2-ethylhexanoate),CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Co+2],"InChI=1S/2C8H16O2.Co/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",QAEKNCDIHIGLFI-UHFFFAOYSA-L,C16H30CoO4,345.34,345.147603,,80.3,93,0,0,4,8,21,,Decomposes at approximately 90 deg before boiling if heated in an aluminum crucible under nitrogen,1,0,0,1,0,0,1,1,1,0,0,0,0,1,0,0,1,1,0,0
"2-PROPENOIC ACID, 2-METHYLPROPYL ESTER",000106-63-8,7819,2-methylpropyl prop-2-enoate,CC(C)COC(=O)C=C,"InChI=1S/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,6H,1,5H2,2-3H3",CFVWNXQPGQOHRJ-UHFFFAOYSA-N,C7H12O2,128.17,128.0837296,2.2,26.3,105,0,0,2,4,9,"86 °F (NTP, 1992)","270 °F at 760 mmHg (NTP, 1992)",0,1,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,1,0,0
TRIPROPYLAMINE,000102-69-2,7616,"N,N-dipropylpropan-1-amine",CCCN(CCC)CCC,"InChI=1S/C9H21N/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3",YFTHZRPMJXBUME-UHFFFAOYSA-N,C9H21N,143.27,143.1673997,2.8,3.2,47,0,0,1,6,10,"98 °F (NTP, 1992)","313 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
ACETIC ACID ANHYDRIDE,000108-24-7,7918,acetyl acetate,CC(=O)OC(=O)C,InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3,WFDIJRYMOXRFFG-UHFFFAOYSA-N,C4H6O3,102.09,102.031694,-0.1,43.4,83,0,0,3,2,7,"121 °F (NTP, 1992)","283.19 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
2-DIMETHYLAMINOETHANOL,000108-01-0,7902,2-(dimethylamino)ethanol,CN(C)CCO,"InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3",UEEJHVSXFDXPFK-UHFFFAOYSA-N,C4H11NO,89.14,89.08406397,-0.4,23.5,28,0,1,2,2,6,"105 °F (NTP, 1992)","275 °F at 758 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"N,N-DIMETHYL-1,3-PROPANEDIAMINE",000109-55-7,7993,"N',N'-dimethylpropane-1,3-diamine",CN(C)CCCN,"InChI=1S/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3",IUNMPGNGSSIWFP-UHFFFAOYSA-N,C5H14N2,102.18,102.1156985,-0.3,29.3,35,0,1,2,3,7,"60 °F (NTP, 1992)","253 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,1,0,0
"1,6-OCTADIENE, 7-METHYL-",042152-47-6,557579,"7-methylocta-1,6-diene",CC(=CCCCC=C)C,"InChI=1S/C9H16/c1-4-5-6-7-8-9(2)3/h4,8H,1,5-7H2,2-3H3",UCKITPBQPGXDHV-UHFFFAOYSA-N,C9H16,124.22,124.1252005,3.8,0,94,0,0,0,4,9,,,1,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
TERT-BUTYL DISULFIDE,000110-06-5,66060,2-(tert-butyldisulfanyl)-2-methylpropane,CC(C)(C)SSC(C)(C)C,"InChI=1S/C8H18S2/c1-7(2,3)9-10-8(4,5)6/h1-6H3",BKCNDTDWDGQHSD-UHFFFAOYSA-N,C8H18S2,178.4,178.0849929,2.9,50.6,80,0,0,2,3,10,,,0,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1
"2-TERT-BUTYL-1,1,3,3-TETRAMETHYLGUANIDINE",029166-72-1,3571581,"2-tert-butyl-1,1,3,3-tetramethylguanidine",CC(C)(C)N=C(N(C)C)N(C)C,"InChI=1S/C9H21N3/c1-9(2,3)10-8(11(4)5)12(6)7/h1-7H3",YQHJFPFNGVDEDT-UHFFFAOYSA-N,C9H21N3,171.28,171.1735477,0.8,18.8,153,0,0,1,3,12,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
3-TRIMETHYLSILYL-2-PROPYN-1-OL,005272-36-6,78930,3-trimethylsilylprop-2-yn-1-ol,C[Si](C)(C)C#CCO,"InChI=1S/C6H12OSi/c1-8(2,3)6-4-5-7/h7H,5H2,1-3H3",ZVGCJDPEKKEYES-UHFFFAOYSA-N,C6H12OSi,128.24,128.0657415,,20.2,120,0,1,1,1,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-PROPENE, 1,2,3-TRICHLORO-",000096-19-5,7286,"1,2,3-trichloroprop-1-ene",C(C(=CCl)Cl)Cl,"InChI=1S/C3H3Cl3/c4-1-3(6)2-5/h1H,2H2",HIILBTHBHCLUER-UHFFFAOYSA-N,C3H3Cl3,145.41,143.930033,2.2,0,57,0,0,0,1,6,85 °C,142 °C,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"PENTANENITRILE, 2-AMINO-2,4-DIMETHYL-",026842-43-3,92251,"2-amino-2,4-dimethylpentanenitrile",CC(C)CC(C)(C#N)N,"InChI=1S/C7H14N2/c1-6(2)4-7(3,9)5-8/h6H,4,9H2,1-3H3",PRTTZMKZMXANFG-UHFFFAOYSA-N,C7H14N2,126.2,126.1156985,1,49.8,131,0,1,2,2,9,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,1,0,0
"METHANESULFONIC ACID, TRIFLUORO-, 2-PROPYNYL ESTER",041029-46-3,3084814,prop-2-ynyl trifluoromethanesulfonate,C#CCOS(=O)(=O)C(F)(F)F,"InChI=1S/C4H3F3O3S/c1-2-3-10-11(8,9)4(5,6)7/h1H,3H2",ROQYGSVHXLIXGO-UHFFFAOYSA-N,C4H3F3O3S,188.13,187.9754996,1,51.8,261,0,0,6,2,11,,,0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"PENTANENITRILE, 3-AMINO-",075405-06-0,93451,3-aminopentanenitrile,CCC(CC#N)N,"InChI=1S/C5H10N2/c1-2-5(7)3-4-6/h5H,2-3,7H2,1H3",FVPPLRDSFQDFLX-UHFFFAOYSA-N,C5H10N2,98.15,98.08439833,-0.1,49.8,79,0,1,2,2,7,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
DIETHYL ETHYLMALONATE,000133-13-1,8610,diethyl 2-ethylpropanedioate,CCC(C(=O)OCC)C(=O)OCC,"InChI=1S/C9H16O4/c1-4-7(8(10)12-5-2)9(11)13-6-3/h7H,4-6H2,1-3H3",VQAZCUCWHIIFGE-UHFFFAOYSA-N,C9H16O4,188.22,188.104859,1.8,52.6,158,0,0,4,7,13,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
METHYL GLYCOLATE,000096-35-5,66774,methyl 2-hydroxyacetate,COC(=O)CO,"InChI=1S/C3H6O3/c1-6-3(5)2-4/h4H,2H2,1H3",GSJFXBNYJCXDGI-UHFFFAOYSA-N,C3H6O3,90.08,90.03169405,-0.5,46.5,50,0,1,3,2,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
3-ETHOXYPROPIONITRILE,002141-62-0,16501,3-ethoxypropanenitrile,CCOCCC#N,"InChI=1S/C5H9NO/c1-2-7-5-3-4-6/h2-3,5H2,1H3",DCWQZPJHHVLHSV-UHFFFAOYSA-N,C5H9NO,99.13,99.06841391,0.1,33,71,0,0,2,3,7,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TERT-BUTYL-3-HYDROXYPROPIONATE,059854-11-4,16218743,tert-butyl 3-hydroxypropanoate,CC(C)(C)OC(=O)CCO,"InChI=1S/C7H14O3/c1-7(2,3)10-6(9)4-5-8/h8H,4-5H2,1-3H3",NSXCURRVJMPAPA-UHFFFAOYSA-N,C7H14O3,146.18,146.0942943,0.4,46.5,113,0,1,3,4,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BUTANOIC ACID, 3-OXO-, BUTYL ESTER",000591-60-6,11576,butyl 3-oxobutanoate,CCCCOC(=O)CC(=O)C,"InChI=1S/C8H14O3/c1-3-4-5-11-8(10)6-7(2)9/h3-6H2,1-2H3",REIYHFWZISXFKU-UHFFFAOYSA-N,C8H14O3,158.19,158.0942943,1.1,43.4,140,0,0,3,6,11,,100.00 to 103.00 °C. @ 16.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PROPANEDIOIC ACID, METHYL-, DIMETHYL ESTER",000609-02-9,69104,dimethyl 2-methylpropanedioate,CC(C(=O)OC)C(=O)OC,"InChI=1S/C6H10O4/c1-4(5(7)9-2)6(8)10-3/h4H,1-3H3",LRBPFPZTIZSOGG-UHFFFAOYSA-N,C6H10O4,146.14,146.0579088,0.7,52.6,125,0,0,4,4,10,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,2-PROPANEDIOL, 1-ACETATE",000627-69-0,94182,2-hydroxypropyl acetate,CC(COC(=O)C)O,"InChI=1S/C5H10O3/c1-4(6)3-8-5(2)7/h4,6H,3H2,1-2H3",PPPFYBPQAPISCT-UHFFFAOYSA-N,C5H10O3,118.13,118.0629942,-0.2,46.5,79,0,1,3,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-PENTANONE, 5-BROMO-",003884-71-7,77493,5-bromopentan-2-one,CC(=O)CCCBr,"InChI=1S/C5H9BrO/c1-5(7)3-2-4-6/h2-4H2,1H3",HTKABMPGOHRVCT-UHFFFAOYSA-N,C5H9BrO,165.03,163.98368,1,17.1,61,0,0,1,3,7,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,10-UNDECADIYNE",004117-15-1,77764,"undeca-1,10-diyne",C#CCCCCCCCC#C,"InChI=1S/C11H16/c1-3-5-7-9-11-10-8-6-4-2/h1-2H,5-11H2",PZWZXAPXSJTOOI-UHFFFAOYSA-N,C11H16,148.24,148.1252005,4.1,0,139,0,0,0,6,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"POLY[OXY(METHYL-1,2-ETHANEDIYL)], .ALPHA.-2-PROPENYL-.OMEGA.-HYDROXY-",009042-19-7,165762,3-prop-2-enoxypropan-1-ol,C=CCOCCCO,"InChI=1S/C6H12O2/c1-2-5-8-6-3-4-7/h2,7H,1,3-6H2",JTWOSPUWOVJQHH-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,0.4,29.5,52,0,1,2,5,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"HEXANOIC ACID, 5-OXO-, METHYL ESTER",013984-50-4,84129,methyl 5-oxohexanoate,CC(=O)CCCC(=O)OC,"InChI=1S/C7H12O3/c1-6(8)4-3-5-7(9)10-2/h3-5H2,1-2H3",AVVPOKSKJSJVIX-UHFFFAOYSA-N,C7H12O3,144.17,144.0786442,0.2,43.4,129,0,0,3,5,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"HEXANOIC ACID, 5-OXO-, ETHYL ESTER",013984-57-1,84130,ethyl 5-oxohexanoate,CCOC(=O)CCCC(=O)C,"InChI=1S/C8H14O3/c1-3-11-8(10)6-4-5-7(2)9/h3-6H2,1-2H3",MGPSIDGTLFKDEY-UHFFFAOYSA-N,C8H14O3,158.19,158.0942943,0.4,43.4,140,0,0,3,6,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"PENTANOIC ACID, 4,4-DIMETHYL-3-OXO-, ETHYL ESTER",017094-34-7,86950,"ethyl 4,4-dimethyl-3-oxopentanoate",CCOC(=O)CC(=O)C(C)(C)C,"InChI=1S/C9H16O3/c1-5-12-8(11)6-7(10)9(2,3)4/h5-6H2,1-4H3",VUYNTIDSHCJIKF-UHFFFAOYSA-N,C9H16O3,172.22,172.1099444,1.6,43.4,177,0,0,3,5,12,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-BUTENOIC ACID, 3-METHYL-, 3-METHYLBUTYL ESTER",056922-73-7,92570,3-methylbutyl 3-methylbut-2-enoate,CC(C)CCOC(=O)C=C(C)C,"InChI=1S/C10H18O2/c1-8(2)5-6-12-10(11)7-9(3)4/h7-8H,5-6H2,1-4H3",DBGLRAHCYJTYEH-UHFFFAOYSA-N,C10H18O2,170.25,170.1306798,3.2,26.3,165,0,0,2,5,12,,197.00 to 199.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
IRON POWDER,007439-89-6,23925,iron,[Fe],InChI=1S/Fe,XEEYBQQBJWHFJM-UHFFFAOYSA-N,Fe,55.84,55.934936,,0,0,0,0,0,0,1,,"2,861 °C",0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
PHOSPHORUS (RED OR BLACK),007723-14-0,5462309,phosphane,P,InChI=1S/P,OAICVXFJPJFONN-UHFFFAOYSA-N,P,30.973762,30.973762,,0,0,0,0,0,0,1,,"536 °F at 760 mmHg ; white-yellow ignites at 86 °F in moist air; red ignites at 500 °F. (EPA, 1998)",0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0
DIMETHYLGLYOXIME,000095-45-4,135459645,N-(3-hydroxyiminobutan-2-ylidene)hydroxylamine,CC(=NO)C(=NO)C,"InChI=1S/C4H8N2O2/c1-3(5-7)4(2)6-8/h7-8H,1-2H3",JGUQDUKBUKFFRO-UHFFFAOYSA-N,C4H8N2O2,116.12,116.0585775,0.1,65.2,112,0,2,4,1,8,,,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
IRIDIUM METAL (SOLID),007439-88-5,23924,iridium,[Ir],InChI=1S/Ir,GKOZUEZYRPOHIO-UHFFFAOYSA-N,Ir,192.22,192.96292,,0,0,0,0,0,0,1,,"4,428 °C",0,0,0,0,0,0,1,1,0,1,0,0,0,0,0,0,0,0,0,0
CERIUM METAL,007440-45-1,23974,cerium,[Ce],InChI=1S/Ce,GWXLDORMOJMVQZ-UHFFFAOYSA-N,Ce,140.116,139.90545,,0,0,0,0,0,0,1,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
SAMARIUM METAL,007440-19-9,23951,samarium,[Sm],InChI=1S/Sm,KZUNJOHGWZRPMI-UHFFFAOYSA-N,Sm,150.4,151.91974,,0,0,0,0,0,0,1,,1794 °C,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
GADOLINIUM METAL,007440-54-2,23982,gadolinium,[Gd],InChI=1S/Gd,UIWYJDYFSGRHKR-UHFFFAOYSA-N,Gd,157.25,157.92411,,0,0,0,0,0,0,1,,3273 °C,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
GERMANIUM METAL,007440-56-4,6326954,germanium,[Ge],InChI=1S/Ge,GNPVGFCGXDBREM-UHFFFAOYSA-N,Ge,72.63,73.9211778,,0,0,0,0,0,0,1,,2700 °C,0,0,0,0,0,0,1,0,0,1,0,0,0,1,0,0,0,0,1,0
LANTHANUM METAL,007439-91-0,23926,lanthanum,[La],InChI=1S/La,FZLIPJUXYLNCLC-UHFFFAOYSA-N,La,138.9055,138.906363,,0,0,0,0,0,0,1,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
LUTETIUM METAL (POWDER),007439-94-3,23929,lutetium,[Lu],InChI=1S/Lu,OHSVLFRHMCKCQY-UHFFFAOYSA-N,Lu,174.9667,174.94078,,0,0,0,0,0,0,1,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
NEODYMIUM METAL,007440-00-8,23934,neodymium,[Nd],InChI=1S/Nd,QEFYFXOXNSNQGX-UHFFFAOYSA-N,Nd,144.24,141.90773,,0,0,0,0,0,0,1,,,0,0,0,0,0,0,1,1,0,1,0,0,0,0,0,0,1,0,0,0
PINACOL,000076-09-5,6425,"2,3-dimethylbutane-2,3-diol",CC(C)(C(C)(C)O)O,"InChI=1S/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H3",IVDFJHOHABJVEH-UHFFFAOYSA-N,C6H14O2,118.17,118.0993797,0.1,40.5,72,0,2,2,1,8,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
PRASEODYMIUM METAL (POWDER),007440-10-0,23942,praseodymium,[Pr],InChI=1S/Pr,PUDIUYLPXJFUGB-UHFFFAOYSA-N,Pr,140.90766,140.90766,,0,0,0,0,0,0,1,,,0,0,0,0,0,0,1,1,0,1,0,0,0,0,0,0,1,0,0,0
RUTHENIUM METAL (POWDER),007440-18-8,23950,ruthenium,[Ru],InChI=1S/Ru,KJTLSVCANCCWHF-UHFFFAOYSA-N,Ru,101.1,101.90434,,0,0,0,0,0,0,1,,,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0
TERBIUM METAL (SOLID),007440-27-9,23958,terbium,[Tb],InChI=1S/Tb,GZCRRIHWUXGPOV-UHFFFAOYSA-N,Tb,158.92535,158.92535,,0,0,0,0,0,0,1,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
ZIRCONIUM NITRIDE,025658-42-8,94359,azanylidynezirconium,N#[Zr],InChI=1S/N.Zr,ZVWKZXLXHLZXLS-UHFFFAOYSA-N,NZr,105.23,103.907773,,23.8,10,0,0,1,0,2,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
OSMIUM METAL (POWDER),007440-04-2,23937,osmium,[Os],InChI=1S/Os,SYQBFIAQOQZEGI-UHFFFAOYSA-N,Os,190.2,191.96148,,0,0,0,0,0,0,1,,5012 °C,0,0,0,0,0,0,1,1,0,1,0,0,0,0,0,0,1,0,0,1
DYSPROSIUM METAL (SOLID),007429-91-6,23912,dysprosium,[Dy],InChI=1S/Dy,KBQHZAAAGSGFKK-UHFFFAOYSA-N,Dy,162.5,163.929181,,0,0,0,0,0,0,1,,,0,0,0,0,0,0,1,1,0,1,0,0,0,0,0,0,1,0,0,0
HAFNIUM CARBIDE,012069-85-1,166601,hafnium;methane,C.[Hf],InChI=1S/CH4.Hf/h1H4;,WHJFNYXPKGDKBB-UHFFFAOYSA-N,CH4Hf,194.53,195.97786,,0,0,0,0,0,0,2,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
SODIUM CYANOBOROHYDRIDE,025895-60-7,5003444,sodium cyanoboranuide,[BH3-]C#N.[Na+],InChI=1S/CH3BN.Na/c2-1-3;/h2H3;/q-1;+1,CVDUGUOQTVTBJH-UHFFFAOYSA-N,CH3BNNa,62.84,63.0256235,,23.8,34,0,0,2,0,4,,,1,1,1,1,0,0,1,1,0,1,0,0,0,0,0,0,1,0,0,0
DYSPROSIUM NITRATE,010143-38-1,25007,dysprosium(3+) trinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Dy+3],InChI=1S/Dy.3NO3/c;3*2-1(3)4/q+3;3*-1,DVENVBCPDCQQGD-UHFFFAOYSA-N,DyN3O9,348.52,349.892634,,189,18,0,0,9,0,13,,,1,0,0,0,0,0,1,1,0,1,0,0,0,0,0,0,1,0,0,1
ALUMINUM ISOPROPOXIDE,000555-31-7,11143,aluminum tris(propan-2-olate),CC(C)[O-].CC(C)[O-].CC(C)[O-].[Al+3],"InChI=1S/3C3H7O.Al/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3",SMZOGRDCAXLAAR-UHFFFAOYSA-N,C9H21AlO3,204.24,204.1306079,,69.2,10,0,0,3,0,13,,135 °C @ 10 mm Hg; 131 °C @ 7.5 mm Hg; 125.5 °C @ 5.5 mm Hg; 113 °C @ 2.5 mm Hg; 106 °C @ 1.5 mm Hg; 94 °C @ 0.5 mm Hg,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
TITANIUM NITRIDE,025583-20-4,93091,azanylidynetitanium,N#[Ti],InChI=1S/N.Ti,NRTOMJZYCJJWKI-UHFFFAOYSA-N,NTi,61.874,61.9510147,,23.8,10,0,0,1,0,2,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,0
BIS(TRIMETHYLSILYL)SULFATE,018306-29-1,87573,bis(trimethylsilyl) sulfate,C[Si](C)(C)OS(=O)(=O)O[Si](C)(C)C,"InChI=1S/C6H18O4SSi2/c1-12(2,3)9-11(7,8)10-13(4,5)6/h1-6H3",KRUQDZRWZXUUAD-UHFFFAOYSA-N,C6H18O4SSi2,242.44,242.0464333,,61,232,0,0,4,4,13,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0
T-BUTYLCHLORODIMETHYLSILANE,018162-48-6,28928,tert-butyl-chloro-dimethylsilane,CC(C)(C)[Si](C)(C)Cl,"InChI=1S/C6H15ClSi/c1-6(2,3)8(4,5)7/h1-5H3",BCNZYOJHNLTNEZ-UHFFFAOYSA-N,C6H15ClSi,150.72,150.0631547,,0,81,0,0,0,1,8,,,0,0,0,0,0,0,1,1,0,1,0,0,0,0,0,0,1,0,0,1
DEVARDA'S ALLOY,008049-11-4,16211762,,[Al].[Cu].[Zn],InChI=1S/Al.Cu.Zn,MUBKMWFYVHYZAI-UHFFFAOYSA-N,AlCuZn,155.9,153.840277,,0,0,0,0,0,0,3,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
SODIUM TERT-PENTOXIDE,014593-46-5,2733478,sodium 2-methylbutan-2-olate,CCC(C)(C)[O-].[Na+],"InChI=1S/C5H11O.Na/c1-4-5(2,3)6;/h4H2,1-3H3;/q-1;+1",CGRKYEALWSRNJS-UHFFFAOYSA-N,C5H11NaO,110.13,110.0707593,,23.1,43,0,0,1,1,7,,,0,1,1,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
THULIUM METAL (SOLID),007440-30-4,23961,thulium,[Tm],InChI=1S/Tm,FRNOGLGSGLTDKL-UHFFFAOYSA-N,Tm,168.93422,168.934219,,0,0,0,0,0,0,1,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,1
TERGITOL 8 ANIONIC,000126-92-1,24181097,,CCCCC(CC)COS(=O)(=O)O.[Na],"InChI=1S/C8H18O4S.Na/c1-3-5-6-8(4-2)7-12-13(9,10)11;/h8H,3-7H2,1-2H3,(H,9,10,11);",SWZKZFBJFXBZPX-UHFFFAOYSA-N,C8H18NaO4S,233.28,233.0823495,,72,205,0,1,4,7,14,"greater than 200 °F (NTP, 1992)","205 to 219 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
LANTHANUM NICKEL,012196-72-4,166660,lanthanum;nickel,[Ni].[Ni].[Ni].[Ni].[Ni].[La],InChI=1S/La.5Ni,BUCVQDCWULHLJZ-UHFFFAOYSA-N,LaNi5,432.37,430.57851,,0,0,0,0,0,0,6,,,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1,1,1
LITHIUM LAURYL SULFATE,002044-56-6,2735071,lithium dodecyl sulfate,[Li+].CCCCCCCCCCCCOS(=O)(=O)[O-],"InChI=1S/C12H26O4S.Li/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1",YFVGRULMIQXYNE-UHFFFAOYSA-M,C12H25LiO4S,272.4,272.1633589,,74.8,249,0,0,4,12,18,,,0,0,1,1,0,0,1,1,0,1,0,0,0,0,0,0,1,0,0,1
"SCANDIUM METAL (POWDER, CHIP, DENDRITIC PIECES, FOIL)",007440-20-2,23952,scandium,[Sc],InChI=1S/Sc,SIXSYDAISGFNSX-UHFFFAOYSA-N,Sc,44.95591,44.955907,,0,0,0,0,0,0,1,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
LANTHANUM ISOPROPOXIDE,019446-52-7,9858075,lanthanum(3+);tris(propan-2-olate),CC(C)[O-].CC(C)[O-].CC(C)[O-].[La+3],"InChI=1S/3C3H7O.La/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3",SORGMJIXNUWMMR-UHFFFAOYSA-N,C9H21LaO3,316.17,316.055432,,69.2,10,0,0,3,0,13,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
CERIUM ISOPROPOXIDE,063007-83-0,14473355,cerium(4+);tetrakis(propan-2-olate),CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ce+4],"InChI=1S/4C3H7O.Ce/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4",BCBBBOXRROHVFG-UHFFFAOYSA-N,C12H28CeO4,376.46,376.10421,,92.2,10,0,0,4,0,17,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0
TITANIUM(IV) METHOXIDE,000992-92-7,164767,methanolate;titanium(4+),C[O-].C[O-].C[O-].C[O-].[Ti+4],InChI=1S/4CH3O.Ti/c4*1-2;/h4*1H3;/q4*-1;+4,ITNVWQNWHXEMNS-UHFFFAOYSA-N,C4H12O4Ti,172,172.0214995,,92.2,2,0,0,4,0,9,,,0,1,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
LITHIUM T-BUTOXIDE (POWDER),001907-33-1,23664764,lithium 2-methylpropan-2-olate,[Li+].CC(C)(C)[O-],"InChI=1S/C4H9O.Li/c1-4(2,3)5;/h1-3H3;/q-1;+1",LZWQNOHZMQIFBX-UHFFFAOYSA-N,C4H9LiO,80.1,80.08134334,,23.1,29,0,0,1,0,6,,,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,0
ZIRCONIUM(IV) ETHOXIDE,018267-08-8,2733709,ethanol;zirconium,CCO.CCO.CCO.CCO.[Zr],"InChI=1S/4C2H6O.Zr/c4*1-2-3;/h4*3H,2H2,1H3;",UARGAUQGVANXCB-UHFFFAOYSA-N,C8H24O4Zr,275.5,274.072158,,80.9,24,0,4,4,0,13,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
ALUMINUM METHOXIDE,000865-31-6,10313125,aluminum methanolate,C[O-].C[O-].C[O-].[Al+3],InChI=1S/3CH3O.Al/c3*1-2;/h3*1H3;/q3*-1;+3,UAEJRRZPRZCUBE-UHFFFAOYSA-N,C3H9AlO3,120.08,120.0367076,,69.2,2,0,0,3,0,7,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0
BORANE TRIMETHYLAMINE COMPLEX,000075-22-9,6328036,,[B][N+](C)(C)C,"InChI=1S/C3H9BN/c1-5(2,3)4/h1-3H3/q+1",LGEYNFHPQLLKNW-UHFFFAOYSA-N,C3H9BN+,69.92,70.0828045,,0,28,1,0,0,0,5,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
MOLYBDENUM ALUMINIDE,012003-72-4,165924,alumane;molybdenum,[AlH3].[Mo].[Mo].[Mo],InChI=1S/Al.3Mo.3H,BEAVKAOYHWRMDG-UHFFFAOYSA-N,AlH3Mo3,317.9,318.720929,,0,0,0,0,0,0,4,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"BIS(2,4-PENTANEDIONATO-O,O')-PALLADIUM",014024-61-4,5486778,bis((Z)-4-oxopent-2-en-2-olate);palladium(2+),C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Pd+2],"InChI=1S/2C5H8O2.Pd/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2/b2*4-3-;",JKDRQYIYVJVOPF-FDGPNNRMSA-L,C10H14O4Pd,304.64,303.99269,,80.3,90,0,0,4,2,15,,,1,0,0,1,0,0,1,1,0,1,0,0,0,0,0,0,1,1,0,1
HAFNIUM(IV) I-PROPOXIDE MONOISOPROPYLATE,002171-99-5,71310589,hafnium;tetrakis(propan-2-ol),CC(C)O.CC(C)O.CC(C)O.CC(C)O.[Hf],"InChI=1S/4C3H8O.Hf/c4*1-3(2)4;/h4*3-4H,1-2H3;",HMKGKDSPHSNMTM-UHFFFAOYSA-N,C12H32HfO4,418.87,420.17662,,80.9,72,0,4,4,0,17,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
YTTERBIUM ISOPROPOXIDE,006742-69-4,11198891,tris(propan-2-olate);ytterbium(3+),CC(C)[O-].CC(C)[O-].CC(C)[O-].[Yb+3],"InChI=1S/3C3H7O.Yb/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3",RAKJHSBPOPJWKI-UHFFFAOYSA-N,C9H21O3Yb,350.31,351.0879371,,69.2,10,0,0,3,0,13,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0
STRONTIUM ISOPROPOXIDE,088863-33-6,6099237,strontium bis(propan-2-olate),CC(C)[O-].CC(C)[O-].[Sr+2],"InChI=1S/2C3H7O.Sr/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2",OHULXNKDWPTSBI-UHFFFAOYSA-N,C6H14O2Sr,205.79,206.0049919,,46.1,10,0,0,2,0,9,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0
ALUMINUM TERT-BUTOXIDE,000556-91-2,68399,aluminum tris(2-methylpropan-2-olate),CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Al+3],"InChI=1S/3C4H9O.Al/c3*1-4(2,3)5;/h3*1-3H3;/q3*-1;+3",MDDPTCUZZASZIQ-UHFFFAOYSA-N,C12H27AlO3,246.32,246.1775581,,69.2,25,0,0,3,0,16,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0
ALUMINIUM ETHOXIDE,000555-75-9,11153,aluminum ethanolate,CC[O-].CC[O-].CC[O-].[Al+3],"InChI=1S/3C2H5O.Al/c3*1-2-3;/h3*2H2,1H3;/q3*-1;+3",JPUHCPXFQIXLMW-UHFFFAOYSA-N,C6H15AlO3,162.16,162.0836577,,69.2,2,0,0,3,0,10,,200 °C @ 6-8 mm Hg; 175-180 °C @ 3 mm Hg,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0
ZIRCONIUM-NICKEL ALLOY,011146-74-0,11147813,nickel;zirconium,[Ni].[Zr],InChI=1S/Ni.Zr,ZSJFLDUTBDIFLJ-UHFFFAOYSA-N,NiZr,149.92,147.84004,,0,0,0,0,0,0,2,,,0,1,1,1,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0
IRON NONACARBONYL,015321-51-4,71311424,carbon monoxide;iron;iron(3+);methanone,[CH-]=O.[CH-]=O.[CH-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe+3],InChI=1S/3CHO.6CO.2Fe/c9*1-2;;/h3*1H;;;;;;;;/q3*-1;;;;;;;;+3,CGJSNKHFIBINMR-UHFFFAOYSA-N,C9H3Fe2O9,366.8,366.847578,,57.2,27,0,0,12,0,20,,,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
DIMETHYLAMINE COMPOUND WITH BORANE (1:1),000074-94-2,6328035,,[B].CNC,"InChI=1S/C2H7N.B/c1-3-2;/h3H,1-2H3;",RJTANRZEWTUVMA-UHFFFAOYSA-N,C2H7BN,55.9,56.0671544,,12,2,0,1,1,0,4,,,0,1,1,1,0,0,1,1,0,1,0,0,0,0,0,0,0,1,0,0
TETRAKIS(DIMETHYLAMINO)ZIRCONIUM,019756-04-8,140580,tetrakis(dimethylazanide);zirconium(4+),C[N-]C.C[N-]C.C[N-]C.C[N-]C.[Zr+4],InChI=1S/4C2H6N.Zr/c4*1-3-2;/h4*1-2H3;/q4*-1;+4,DWCMDRNGBIZOQL-UHFFFAOYSA-N,C8H24N4Zr,267.53,266.104796,,4,24,0,0,4,0,13,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
TANTALUM(V) METHOXIDE,000865-35-0,12787641,methanolate;tantalum(5+),C[O-].C[O-].C[O-].C[O-].C[O-].[Ta+5],InChI=1S/5CH3O.Ta/c5*1-2;/h5*1H3;/q5*-1;+5,QASMZJKUEABJNR-UHFFFAOYSA-N,C5H15O5Ta,336.12,336.03995,,115,2,0,0,5,0,11,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"1,4-BIS(TRIMETHYLSILYL)-1,3-BUTADIYNE (OBSOLETE)",004526-07-2,138279,"trimethyl(4-trimethylsilylbuta-1,3-diynyl)silane",C[Si](C)(C)C#CC#C[Si](C)(C)C,"InChI=1S/C10H18Si2/c1-11(2,3)9-7-8-10-12(4,5)6/h1-6H3",LBNVCJHJRYJVPK-UHFFFAOYSA-N,C10H18Si2,194.42,194.0947036,,0,242,0,0,0,3,12,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
PRASEODYMIUM ISOPROPOXIDE,019236-14-7,2734038,praseodymium(3+);tris(propan-2-olate),CC(C)[O-].CC(C)[O-].CC(C)[O-].[Pr+3],"InChI=1S/3C3H7O.Pr/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3",UMIVUKFKISBKQB-UHFFFAOYSA-N,C9H21O3Pr,318.17,318.05673,,69.2,10,0,0,3,0,13,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0
"NICKEL, ISOTOPE OF MASS 62 (POWDER)",013981-81-2,12077175,nickel-62,[62Ni],InChI=1S/Ni/i1+3,PXHVJJICTQNCMI-AKLPVKDBSA-N,Ni,61.928345,61.928345,,0,0,0,0,0,0,1,,,0,0,0,0,0,1,0,1,0,1,0,0,0,0,1,0,1,1,0,1
TUNGSTEN CARBIDE (W2C),012070-13-2,102601578,,[C+]#[W]=[W-],InChI=1S/C.2W/q+1;;-1,FHLFYDOXSZQEPO-UHFFFAOYSA-N,CW2,379.7,381.9053,,0,55,0,0,1,0,3,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"TRICHLORO(1,1-DIMETHYLETHYL)SILANE",018171-74-9,87494,tert-butyl(trichloro)silane,CC(C)(C)[Si](Cl)(Cl)Cl,"InChI=1S/C4H9Cl3Si/c1-4(2,3)8(5,6)7/h1-3H3",MOOUPSHQAMJMSL-UHFFFAOYSA-N,C4H9Cl3Si,191.55,189.95391,,0,78,0,0,0,0,8,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0
"MISCH METAL, CERIUM",062379-61-7,91886601,cerium;lanthanum;neodymium;praseodymium,[La].[Ce].[Pr].[Nd],InChI=1S/Ce.La.Nd.Pr,YLENEZYZPLSAAV-UHFFFAOYSA-N,CeLaNdPr,564.17,561.6272,,0,0,0,0,0,0,4,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
SAMARIUM ISOPROPOXIDE,003504-40-3,2734138,tris(propan-2-olate);samarium(3+),CC(C)[O-].CC(C)[O-].CC(C)[O-].[Sm+3],"InChI=1S/3C3H7O.Sm/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3",HJCRVWSKQNDSPZ-UHFFFAOYSA-N,C9H21O3Sm,327.6,329.06881,,69.2,10,0,0,3,0,13,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"Bis(tris(1,1-dimethylethyl)phosphine)Palladium",053199-31-8,2734558,palladium;bis(tritert-butylphosphane),CC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)(C)P(C(C)(C)C)C(C)(C)C.[Pd],"InChI=1S/2C12H27P.Pd/c2*1-10(2,3)13(11(4,5)6)12(7,8)9;/h2*1-9H3;",MXQOYLRVSVOCQT-UHFFFAOYSA-N,C24H54P2Pd,511.1,510.27356,,0,128,0,0,0,6,27,,,1,1,1,1,0,0,1,1,0,1,0,0,0,0,0,0,1,1,0,1
CHLOROTRIISOPROPOXYTITANIUM(IV),020717-86-6,3084342,tris(propan-2-olate);titanium(4+);chloride,CC(C)[O-].CC(C)[O-].CC(C)[O-].[Cl-].[Ti+4],"InChI=1S/3C3H7O.ClH.Ti/c3*1-3(2)4;;/h3*3H,1-2H3;1H;/q3*-1;;+4/p-1",IFMWVBVPVXRZHE-UHFFFAOYSA-M,C9H21ClO3Ti,260.58,260.0658629,,69.2,10,0,0,4,0,14,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0
SODIUM 2-METHYLPROPAN-2-OLATE,000865-48-5,45051916,,CC(C)(C)O.[Na],"InChI=1S/C4H10O.Na/c1-4(2,3)5;/h5H,1-3H3;",GSVQWRYRPRJOIM-UHFFFAOYSA-N,C4H10NaO,97.11,97.06293422,,20.2,25,0,1,1,0,6,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
ERBIUM ISOPROPOXIDE,014814-07-4,2734042,erbium(3+);tris(propan-2-olate),CC(C)[O-].CC(C)[O-].CC(C)[O-].[Er+3],"InChI=1S/3C3H7O.Er/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3",VOCNVTAXVORJBI-UHFFFAOYSA-N,C9H21ErO3,344.52,343.079371,,69.2,10,0,0,3,0,13,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0
SODIUM TRIACETOXYBOROHYDRIDE,056553-60-7,5049666,sodium triacetyloxyboranuide,[BH-](OC(=O)C)(OC(=O)C)OC(=O)C.[Na+],"InChI=1S/C6H10BO6.Na/c1-4(8)11-7(12-5(2)9)13-6(3)10;/h7H,1-3H3;/q-1;+1",HHYFEYBWNZJVFQ-UHFFFAOYSA-N,C6H10BNaO6,211.94,212.0468125,,78.9,192,0,0,7,6,14,,,0,0,0,0,0,0,0,1,0,1,0,0,0,1,0,0,1,0,0,1
MAGNESIUM BIS(HEXAMETHYLDISILAZIDE),857367-60-3,15977765,magnesium bis(bis(trimethylsilyl)azanide),C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.[Mg+2],"InChI=1S/2C6H18NSi2.Mg/c2*1-8(2,3)7-9(4,5)6;/h2*1-6H3;/q2*-1;+2",WYPTZCBYSQFOQS-UHFFFAOYSA-N,C12H36MgN2Si4,345.07,344.180597,,2,76,0,0,2,4,19,,,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0
6-HYDROXYHEXANOIC ACID,001191-25-9,14490,6-hydroxyhexanoic acid,C(CCC(=O)O)CCO,"InChI=1S/C6H12O3/c7-5-3-1-2-4-6(8)9/h7H,1-5H2,(H,8,9)",IWHLYPDWHHPVAA-UHFFFAOYSA-N,C6H12O3,132.16,132.0786442,-0.4,57.5,80,0,2,3,5,9,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
ALLYLPALLADIUM CHLORIDE (DIMER),012012-95-2,61538,bis(chloropalladium(1+));bis(prop-1-ene),[CH2-]C=C.[CH2-]C=C.Cl[Pd+].Cl[Pd+],"InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2",PENAXHPKEVTBLF-UHFFFAOYSA-L,C6H10Cl2Pd2,365.9,365.82333,,0,14,0,0,2,0,10,,,1,1,1,1,0,0,1,1,0,1,0,0,0,0,0,0,1,0,0,1
TETRAKIS(DIMETHYLAMINO)HAFNIUM,019782-68-4,140609,tetrakis(dimethylazanide);hafnium(4+),C[N-]C.C[N-]C.C[N-]C.C[N-]C.[Hf+4],InChI=1S/4C2H6N.Hf/c4*1-3-2;/h4*1-2H3;/q4*-1;+4,ZYLGGWPMIDHSEZ-UHFFFAOYSA-N,C8H24HfN4,354.79,356.14666,,4,24,0,0,4,0,13,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,0
"CARBAMIC ACID, (6-AMINOHEXYL)-",000143-06-6,8913,6-aminohexylcarbamic acid,C(CCCNC(=O)O)CCN,"InChI=1S/C7H16N2O2/c8-5-3-1-2-4-6-9-7(10)11/h9H,1-6,8H2,(H,10,11)",HDIHOAXFFROQHR-UHFFFAOYSA-N,C7H16N2O2,160.21,160.1211778,-2.2,75.4,107,0,3,3,6,11,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,0
POTASSIUM SULFIDE (K(SH)),001310-61-8,102109,potassium sulfanide,[SH-].[K+],InChI=1S/K.H2S/h;1H2/q+1;/p-1,ZOCLAPYLSUCOGI-UHFFFAOYSA-M,HKS,72.17,71.94360269,,1,2,0,1,1,0,2,,,1,0,1,1,0,1,1,1,0,1,0,0,0,0,0,0,1,1,1,1
"2-PROPYN-1-OL, 3-IODO-",001725-82-2,74410,3-iodoprop-2-yn-1-ol,C(C#CI)O,"InChI=1S/C3H3IO/c4-2-1-3-5/h5H,3H2",JYQJMGROXSSXDR-UHFFFAOYSA-N,C3H3IO,181.96,181.92286,0.5,20.2,65,0,1,1,0,5,,,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"CARBONODITHIOIC ACID, O-PENTYL S-2-PROPENYL ESTER",002956-12-9,76289,O-pentyl prop-2-enylsulfanylmethanethioate,CCCCCOC(=S)SCC=C,"InChI=1S/C9H16OS2/c1-3-5-6-7-10-9(11)12-8-4-2/h4H,2-3,5-8H2,1H3",WTPBLTFCXYTHNZ-UHFFFAOYSA-N,C9H16OS2,204.4,204.0642575,4.1,66.6,134,0,0,3,8,12,,,0,1,0,1,0,0,1,1,0,1,0,0,0,1,0,0,1,1,1,0
"ALUMINATE(1-), HEXAETHYL-.MU.-FLUORODI-, POTASSIUM",012091-08-6,72720445,potassium;triethylalumane;triethyl(fluoro)alumanuide,CC[Al](CC)CC.CC[Al-](CC)(CC)F.[K+],"InChI=1S/6C2H5.2Al.FH.K/c6*1-2;;;;/h6*1H2,2H3;;;1H;/q;;;;;;;;;+1/p-1",MEHYFUNKDZKKHN-UHFFFAOYSA-M,C12H30Al2FK,286.43,286.159937,,0,76,0,0,2,6,16,,,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0
"MAGNESIUM, BIS(1-METHYLPROPYL)-",017589-14-9,86589,magnesium butane,CC[CH-]C.CC[CH-]C.[Mg+2],"InChI=1S/2C4H9.Mg/c2*1-3-4-2;/h2*3H,4H2,1-2H3;/q2*-1;+2",JDZMCPAYDLVVIC-UHFFFAOYSA-N,C8H18Mg,138.53,138.1258923,,0,16,0,0,2,2,9,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0
"CARBONODITHIOIC ACID, O-(2-METHYLPROPYL) ESTER, SODIUM SALT",025306-75-6,23683691,sodium 2-methylpropoxymethanedithioate,CC(C)COC(=S)[S-].[Na+],"InChI=1S/C5H10OS2.Na/c1-4(2)3-6-5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1/p-1",FLVLHHSRQUTOJM-UHFFFAOYSA-M,C5H9NaOS2,172.2,171.9992515,,42.3,85,0,0,3,3,9,,,1,1,1,1,0,0,1,1,0,1,0,0,1,0,0,1,1,1,0,1
YTTRIUM NITRIDE (YN),025764-13-0,117630,azanylidyneyttrium,N#[Y],InChI=1S/N.Y,AJXBBNUQVRZRCZ-UHFFFAOYSA-N,NY,102.913,102.908912,,23.8,10,0,0,1,0,2,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0
"NEODECANOIC ACID, PALLADIUM(2+) SALT",068228-02-4,109860,"palladium(2+);bis(3,3,5,5-tetramethylhexanoate)",CC(C)(C)CC(C)(C)CC(=O)[O-].CC(C)(C)CC(C)(C)CC(=O)[O-].[Pd+2],"InChI=1S/2C10H20O2.Pd/c2*1-9(2,3)7-10(4,5)6-8(11)12;/h2*6-7H2,1-5H3,(H,11,12);/q;;+2/p-2",APGNMHZUERWZME-UHFFFAOYSA-L,C20H38O4Pd,448.9,448.18049,,80.3,158,0,0,4,6,25,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
NEODYMIUM ISOPROPOXIDE,019236-15-8,2734134,neodymium(3+);tris(propan-2-olate),CC(C)[O-].CC(C)[O-].CC(C)[O-].[Nd+3],"InChI=1S/3C3H7O.Nd/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3",HZHUIQPXRWTHNF-UHFFFAOYSA-N,C9H21NdO3,321.5,319.0568,,69.2,10,0,0,3,0,13,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,0
TETRA(METHYLETHYLKETOXIME) SILANE,034206-40-1,93167,tetrakis(butan-2-ylideneamino) silicate,CCC(=NO[Si](ON=C(C)CC)(ON=C(C)CC)ON=C(C)CC)C,"InChI=1S/C16H32N4O4Si/c1-9-13(5)17-21-25(22-18-14(6)10-2,23-19-15(7)11-3)24-20-16(8)12-4/h9-12H2,1-8H3",INETXKGLHYNTHK-UHFFFAOYSA-N,C16H32N4O4Si,372.53,372.2192821,,86.4,425,0,0,8,12,25,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,1,1,0
POTASSIUM PROPAN-2-OLATE,006831-82-9,23663646,potassium propan-2-olate,CC(C)[O-].[K+],"InChI=1S/C3H7O.K/c1-3(2)4;/h3H,1-2H3;/q-1;+1",WQKGAJDYBZOFSR-UHFFFAOYSA-N,C3H7KO,98.19,98.01339633,,23.1,14,0,0,1,0,5,,,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,0
"ALUMINATE(1-), HYDROTRIS(2-METHYL-2-PROPANOLATO)-, LITHIUM, (T-4)-",017476-04-9,6328594,,[Li].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Al+3],"InChI=1S/3C4H9O.Al.Li/c3*1-4(2,3)5;;/h3*1-3H3;;/q3*-1;+3;",HTBVGZAVHBZXMS-UHFFFAOYSA-N,C12H27AlLiO3,253.3,253.1935616,,69.2,25,0,0,3,0,17,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0
EUROPIUM SULFIDE,012020-65-4,82809,sulfanylideneeuropium,S=[Eu],InChI=1S/Eu.S,RVKZDIDATLDTNR-UHFFFAOYSA-N,EuS,184.03,184.89331,,32.1,2,0,0,1,0,2,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
ZIRCONIUM ISOPROPOXIDE,002171-98-4,3083750,tetrakis(propan-2-olate);zirconium(4+),CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Zr+4],"InChI=1S/4C3H7O.Zr/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4",ZGSOBQAJAUGRBK-UHFFFAOYSA-N,C12H28O4Zr,327.57,326.103458,,92.2,10,0,0,4,0,17,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
COPPER (II) METHOXIDE,076890-98-7,9855472,copper methanolate,C[O-].C[O-].[Cu+2],InChI=1S/2CH3O.Cu/c2*1-2;/h2*1H3;/q2*-1;+2,AYNQPTYHFBBKFC-UHFFFAOYSA-N,C2H6CuO2,125.61,124.966377,,46.1,2,0,0,2,0,5,,,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
NIOBIUM TIN,012035-04-0,57347054,niobium;tin,[Nb].[Sn],InChI=1S/Nb.Sn,KJSMVPYGGLPWOE-UHFFFAOYSA-N,NbSn,211.62,212.80858,,0,0,0,0,0,0,2,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
TITANIUM SILICIDE,012067-57-1,6336553,,[Si].[Si].[Si].[Ti].[Ti].[Ti].[Ti].[Ti],InChI=1S/3Si.5Ti,GNKTZDSRQHMHLZ-UHFFFAOYSA-N,Si3Ti5,323.59,323.670483,,0,0,0,0,0,0,8,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
COPPER (II) ISOPROPOXIDE,023578-23-6,14389592,copper bis(propan-2-olate),CC(C)[O-].CC(C)[O-].[Cu+2],"InChI=1S/2C3H7O.Cu/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2",VNGORJHUDAPOQZ-UHFFFAOYSA-N,C6H14CuO2,181.72,181.028977,,46.1,10,0,0,2,0,9,,,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
BISMUTH(III) ISOPROPOXIDE,015049-67-9,22648700,bismuth tris(propan-2-olate),CC(C)[O-].CC(C)[O-].CC(C)[O-].[Bi+3],"InChI=1S/3C3H7O.Bi/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3",KNPRLIQQQKEOJN-UHFFFAOYSA-N,C9H21BiO3,386.24,386.12947,,69.2,10,0,0,3,0,13,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"CARBONIMIDIC ACID, CYANO-, DIMETHYL ESTER",024771-25-3,90604,dimethoxymethylidenecyanamide,COC(=NC#N)OC,InChI=1S/C4H6N2O2/c1-7-4(8-2)6-3-5/h1-2H3,ZOKYZTUQSVAKHS-UHFFFAOYSA-N,C4H6N2O2,114.1,114.0429274,0.9,54.6,126,0,0,4,2,8,,,0,1,1,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
COBALT(II) ISOPROPOXIDE,,18517386,cobalt(2+);bis(propan-2-olate),CC(C)[O-].CC(C)[O-].[Co+2],"InChI=1S/2C3H7O.Co/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2",VBXHMSMVQZJJLD-UHFFFAOYSA-N,C6H14CoO2,177.11,177.032573,,46.1,10,0,0,2,0,9,,,0,0,0,0,0,0,0,1,0,1,1,0,0,0,0,0,1,0,0,1
MANGANESE(II) METHOXIDE,,10219413,manganese(2+);methanolate,C[O-].C[O-].[Mn+2],InChI=1S/2CH3O.Mn/c2*1-2;/h2*1H3;/q2*-1;+2,UQIRCVPINUNHQY-UHFFFAOYSA-N,C2H6MnO2,117.01,116.974822,,46.1,2,0,0,2,0,5,,,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
UREA NITRATE (WET) 20% WATER,000124-47-0,31295,nitric acid;urea,C(=O)(N)N.[N+](=O)(O)[O-],"InChI=1S/CH4N2O.HNO3/c2*2-1(3)4/h(H4,2,3,4);(H,2,3,4)",AYTGUZPQPXGYFS-UHFFFAOYSA-N,CH5N3O4,123.07,123.0280057,,135,53,0,3,4,0,8,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0
MAGNESIUM ETHOXIDE,002414-98-4,164963,magnesium ethanolate,CC[O-].CC[O-].[Mg+2],"InChI=1S/2C2H5O.Mg/c2*1-2-3;/h2*2H2,1H3;/q2*-1;+2",XDKQUSKHRIUJEO-UHFFFAOYSA-N,C4H10MgO2,114.43,114.0531212,,46.1,2,0,0,2,0,7,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0
DODECYL SODIUM SULFATE,000151-21-3,3423265,sodium dodecyl sulfate,CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+],"InChI=1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1",DBMJMQXJHONAFJ-UHFFFAOYSA-M,C12H25NaO4S,288.38,288.1371247,,74.8,249,0,0,4,12,18,,,0,0,1,1,0,0,1,1,0,1,0,0,0,0,0,0,1,0,0,1
"CARBONODITHIOIC ACID, O-ETHYL ESTER, SODIUM SALT",000140-90-9,23690437,sodium ethoxymethanedithioate,CCOC(=S)[S-].[Na+],"InChI=1S/C3H6OS2.Na/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1",RZFBEFUNINJXRQ-UHFFFAOYSA-M,C3H5NaOS2,144.2,143.9679514,,42.3,56,0,0,3,2,7,,,1,0,0,1,0,0,1,1,0,1,0,0,0,1,0,0,1,1,1,1
"CARBONODITHIOIC ACID, O-PENTYL ESTER, POTASSIUM SALT",002720-73-2,493949,potassium pentoxymethanedithioate,CCCCCOC(=S)[S-].[K+],"InChI=1S/C6H12OS2.K/c1-2-3-4-5-7-6(8)9;/h2-5H2,1H3,(H,8,9);/q;+1/p-1",YIBBMDDEXKBIAM-UHFFFAOYSA-M,C6H11KOS2,202.4,201.9888388,,42.3,87,0,0,3,5,10,,,0,1,0,1,0,0,1,1,0,1,0,0,0,1,0,0,1,1,1,0
PLATINUM METAL (SOLID),007440-06-4,23939,platinum,[Pt],InChI=1S/Pt,BASFCYQUMIYNBI-UHFFFAOYSA-N,Pt,195.08,194.964794,,0,0,0,0,0,0,1,,"6921 °F at 760 mmHg (NIOSH, 2024)",0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
TUNGSTEN METAL (SOLID),007440-33-7,23964,tungsten,[W],InChI=1S/W,WFKWXMTUELFFGS-UHFFFAOYSA-N,W,183.84,183.950933,,0,0,0,0,0,0,1,,"10701 °F at 760 mmHg (NIOSH, 2024)",0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
LEAD OXIDE PHOSPHONATE,012141-20-7,44135855,hydrogen phosphite;lead(2+);oxolead,OP([O-])[O-].O=[Pb].O=[Pb].[Pb+2],InChI=1S/HO3P.2O.3Pb/c1-4(2)3;;;;;/h1H;;;;;/q-2;;;;;+2,LAZQCXJJXWHRDJ-UHFFFAOYSA-N,HO5PPb3,730,733.88393,,100,12,0,1,5,0,9,,,1,0,1,1,0,1,1,0,0,1,0,0,0,1,0,0,0,0,1,0
YTTRIUM METAL (POWDER),007440-65-5,23993,yttrium,[Y],InChI=1S/Y,VWQVUPCCIRVNHF-UHFFFAOYSA-N,Y,88.90584,88.905838,,0,0,0,0,0,0,1,,"5301 °F at 760 mmHg (NIOSH, 2024)",0,1,1,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0
TETRAAMMINEPALLADIUM(II) NITRATE,013601-08-6,166871,azane;palladium(2+);dinitrate,N.N.N.N.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Pd+2],InChI=1S/2NO3.4H3N.Pd/c2*2-1(3)4;;;;;/h;;4*1H3;/q2*-1;;;;;+2,WIDMMNCAAAYGKW-UHFFFAOYSA-N,H12N6O6Pd,298.55,297.98531,,130,18,0,4,10,0,13,,,1,0,0,1,0,0,1,1,0,0,0,0,1,0,0,1,1,1,0,1
DIETHYL AZODICARBOXYLATE,001972-28-7,5462977,ethyl (NE)-N-ethoxycarbonyliminocarbamate,CCOC(=O)/N=N/C(=O)OCC,"InChI=1S/C6H10N2O4/c1-3-11-5(9)7-8-6(10)12-4-2/h3-4H2,1-2H3/b8-7+",FAMRKDQNMBBFBR-BQYQJAHWSA-N,C6H10N2O4,174.15,174.0640568,1.7,77.3,170,0,0,4,4,12,,,0,1,1,1,0,0,0,1,0,0,0,0,1,0,0,1,1,0,0,1
TETRAETHYLAMMONIUM PERCHLORATE,002567-83-1,2734932,tetraethylazanium perchlorate,CC[N+](CC)(CC)CC.[O-]Cl(=O)(=O)=O,"InChI=1S/C8H20N.ClHO4/c1-5-9(6-2,7-3)8-4;2-1(3,4)5/h5-8H2,1-4H3;(H,2,3,4,5)/q+1;/p-1",WGHUNMFFLAMBJD-UHFFFAOYSA-M,C8H20ClNO4,229.7,229.1080858,,74.3,143,0,0,4,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,1,1,0,0,1
"PROPANEPEROXOIC ACID, 2-METHYL-, 1,1-DIMETHYLETHYL ESTER",000109-13-7,61023,tert-butyl 2-methylpropaneperoxoate,CC(C)C(=O)OOC(C)(C)C,"InChI=1S/C8H16O3/c1-6(2)7(9)10-11-8(3,4)5/h6H,1-5H3",PFBLRDXPNUJYJM-UHFFFAOYSA-N,C8H16O3,160.21,160.1099444,2.2,35.5,133,0,0,3,4,11,,,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0
"PEROXIDE, BIS(2-METHYL-1-OXOPROPYL)",003437-84-1,76969,2-methylpropanoyl 2-methylpropaneperoxoate,CC(C)C(=O)OOC(=O)C(C)C,"InChI=1S/C8H14O4/c1-5(2)7(9)11-12-8(10)6(3)4/h5-6H,1-4H3",RPBWMJBZQXCSFW-UHFFFAOYSA-N,C8H14O4,174.19,174.0892089,2.3,52.6,152,0,0,4,5,12,,,0,0,0,0,1,0,0,1,0,0,0,0,1,0,0,1,1,1,0,0
"PEROXIDE, (1,1,4,4-TETRAMETHYL-2-BUTYNE-1,4-DIYL)BIS[(1,1-DIMETHYLETHYL)",001068-27-5,14037,"2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-yne",CC(C)(C)OOC(C)(C)C#CC(C)(C)OOC(C)(C)C,"InChI=1S/C16H30O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h1-10H3",ODBCKCWTWALFKM-UHFFFAOYSA-N,C16H30O4,286.41,286.2144094,3.2,36.9,335,0,0,4,8,20,,,0,0,0,0,0,0,1,1,0,0,0,0,1,0,0,1,1,0,0,0
"2-PROPENEPEROXOIC ACID, 3-CARBOXY-, 1-(1,1-DIMETHYLETHYL) ESTER, (Z)-",001931-62-0,5702664,(Z)-4-tert-butylperoxy-4-oxobut-2-enoic acid,CC(C)(C)OOC(=O)/C=C\C(=O)O,"InChI=1S/C8H12O5/c1-8(2,3)13-12-7(11)5-4-6(9)10/h4-5H,1-3H3,(H,9,10)/b5-4-",RQHGZNBWBKINOY-PLNGDYQASA-N,C8H12O5,188.18,188.0684735,0.9,72.8,223,0,1,5,5,13,,,0,0,0,1,0,0,1,1,0,0,0,0,1,0,0,1,0,1,0,0
"2,2'-AZOBISISOBUTYRONITRILE",000078-67-1,6547,2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile,CC(C)(C#N)N=NC(C)(C)C#N,"InChI=1S/C8H12N4/c1-7(2,5-9)11-12-8(3,4)6-10/h1-4H3",OZAIFHULBGXAKX-UHFFFAOYSA-N,C8H12N4,164.21,164.1061964,1.3,72.3,251,0,0,4,2,12,,,0,0,1,1,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0,0
"2,2'-AZOBIS(4-METHOXY-2,4-DIMETHYLVALERONITRILE)",015545-97-8,85867,"2-[(2-cyano-4-methoxy-4-methylpentan-2-yl)diazenyl]-4-methoxy-2,4-dimethylpentanenitrile",CC(C)(CC(C)(C#N)N=NC(C)(CC(C)(C)OC)C#N)OC,"InChI=1S/C16H28N4O2/c1-13(2,21-7)9-15(5,11-17)19-20-16(6,12-18)10-14(3,4)22-8/h9-10H2,1-8H3",PFHOSZAOXCYAGJ-UHFFFAOYSA-N,C16H28N4O2,308.42,308.2212262,2.3,90.8,463,0,0,6,8,22,,,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0,0
DILAUROYL PEROXIDE,000105-74-8,7773,dodecanoyl dodecaneperoxoate,CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,"InChI=1S/C24H46O4/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-28-24(26)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3",YIVJZNGAASQVEM-UHFFFAOYSA-N,C24H46O4,398.6,398.3396099,10.5,52.6,321,0,0,4,23,28,,BOILING POINT: DECOMPOSES,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0
N-NITROGLYCINE,010339-31-8,25184,2-nitramidoacetic acid,C(C(=O)O)N[N+](=O)[O-],"InChI=1S/C2H4N2O4/c5-2(6)1-3-4(7)8/h3H,1H2,(H,5,6)",MJHPFRRMGOFOJL-UHFFFAOYSA-N,C2H4N2O4,120.06,120.0171066,0.1,95.2,105,0,2,5,2,8,,,0,1,1,1,0,0,0,1,0,0,0,0,1,0,0,1,1,0,0,1
(2S)-2-AMINO-4-AZIDOBUTANOIC ACID HYDROCHLORIDE (1:1),942518-29-8,46311076,(2S)-2-amino-4-azidobutanoic acid;hydrochloride,C(CN=[N+]=[N-])[C@@H](C(=O)O)N.Cl,"InChI=1S/C4H8N4O2.ClH/c5-3(4(9)10)1-2-7-8-6;/h3H,1-2,5H2,(H,9,10);1H/t3-;/m0./s1",MHHYJRIDKLZZEO-DFWYDOINSA-N,C4H9ClN4O2,180.59,180.0414032,,77.7,163,0,3,5,4,11,,,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0
"DIMETHYL 2,2'-AZOBIS(2-METHYLPROPIONATE)",002589-57-3,75763,methyl 2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)diazenyl]-2-methylpropanoate,CC(C)(C(=O)OC)N=NC(C)(C)C(=O)OC,"InChI=1S/C10H18N2O4/c1-9(2,7(13)15-5)11-12-10(3,4)8(14)16-6/h1-6H3",ZQMHJBXHRFJKOT-UHFFFAOYSA-N,C10H18N2O4,230.26,230.1266571,1.6,77.3,278,0,0,6,6,16,,,1,0,1,1,0,0,1,1,0,0,0,0,1,0,0,1,0,0,0,0
"HEXANEPEROXOIC ACID, 2-ETHYL-, 1,1-DIMETHYLPROPYL ESTER",000686-31-7,102465,2-methylbutan-2-yl 2-ethylhexaneperoxoate,CCCCC(CC)C(=O)OOC(C)(C)CC,"InChI=1S/C13H26O3/c1-6-9-10-11(7-2)12(14)15-16-13(4,5)8-3/h11H,6-10H2,1-5H3",IFXDUNDBQDXPQZ-UHFFFAOYSA-N,C13H26O3,230.34,230.1881947,4.5,35.5,199,0,0,3,9,16,,,1,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,0,0
"PEROXIDE, BIS(1-OXODECYL)",000762-12-9,69802,decanoyl decaneperoxoate,CCCCCCCCCC(=O)OOC(=O)CCCCCCCCC,"InChI=1S/C20H38O4/c1-3-5-7-9-11-13-15-17-19(21)23-24-20(22)18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3",XJOBOFWTZOKMOH-UHFFFAOYSA-N,C20H38O4,342.5,342.2770097,8.4,52.6,272,0,0,4,19,24,,,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,1,1,0,0,0
"PEROXIDE, BIS(1-OXOOCTYL)",000762-16-3,12979,octanoyl octaneperoxoate,CCCCCCCC(=O)OOC(=O)CCCCCCC,"InChI=1S/C16H30O4/c1-3-5-7-9-11-13-15(17)19-20-16(18)14-12-10-8-6-4-2/h3-14H2,1-2H3",SRSFOMHQIATOFV-UHFFFAOYSA-N,C16H30O4,286.41,286.2144094,6.2,52.6,225,0,0,4,15,20,,,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,1,1,0,0
"PENTANOIC ACID, 4,4-BIS[(1,1-DIMETHYLETHYL)DIOXY]-, BUTYL ESTER",000995-33-5,70447,"butyl 4,4-bis(tert-butylperoxy)pentanoate",CCCCOC(=O)CCC(C)(OOC(C)(C)C)OOC(C)(C)C,"InChI=1S/C17H34O6/c1-9-10-13-19-14(18)11-12-17(8,22-20-15(2,3)4)23-21-16(5,6)7/h9-13H2,1-8H3",BXIQXYOPGBXIEM-UHFFFAOYSA-N,C17H34O6,334.4,334.2355388,3.8,63.2,322,0,0,6,13,23,,,1,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0,0
"PEROXIDE, BIS(3,5,5-TRIMETHYL-1-OXOHEXYL)",003851-87-4,107176,"3,5,5-trimethylhexanoyl 3,5,5-trimethylhexaneperoxoate",CC(CC(=O)OOC(=O)CC(C)CC(C)(C)C)CC(C)(C)C,"InChI=1S/C18H34O4/c1-13(11-17(3,4)5)9-15(19)21-22-16(20)10-14(2)12-18(6,7)8/h13-14H,9-12H2,1-8H3",KFGFVPMRLOQXNB-UHFFFAOYSA-N,C18H34O4,314.5,314.2457096,6.2,52.6,324,0,0,4,11,22,,,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1,1,1,0,0
"HEXANEPEROXOIC ACID, 2-ETHYL-, 1,1,4,4-TETRAMETHYL-1,4-BUTANEDIYL ESTER",013052-09-0,114448,"[5-(2-ethylhexanoylperoxy)-2,5-dimethylhexan-2-yl] 2-ethylhexaneperoxoate",CCCCC(CC)C(=O)OOC(C)(C)CCC(C)(C)OOC(=O)C(CC)CCCC,"InChI=1S/C24H46O6/c1-9-13-15-19(11-3)21(25)27-29-23(5,6)17-18-24(7,8)30-28-22(26)20(12-4)16-14-10-2/h19-20H,9-18H2,1-8H3",JUIBLDFFVYKUAC-UHFFFAOYSA-N,C24H46O6,430.6,430.3294392,7.7,71.1,442,0,0,6,19,30,,,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0
"PEROXYDICARBONIC ACID, DIPROPYL ESTER",016066-38-9,85264,propoxycarbonyloxy propyl carbonate,CCCOC(=O)OOC(=O)OCCC,"InChI=1S/C8H14O6/c1-3-5-11-7(9)13-14-8(10)12-6-4-2/h3-6H2,1-2H3",YPVDWEHVCUBACK-UHFFFAOYSA-N,C8H14O6,206.19,206.0790382,2.8,71.1,159,0,0,6,9,14,,,1,0,0,1,0,0,1,1,0,0,0,0,1,0,0,1,1,0,0,0
"PEROXYDICARBONIC ACID, BIS(2-ETHYLHEXYL) ESTER",016111-62-9,85963,2-ethylhexoxycarbonyloxy 2-ethylhexyl carbonate,CCCCC(CC)COC(=O)OOC(=O)OCC(CC)CCCC,"InChI=1S/C18H34O6/c1-5-9-11-15(7-3)13-21-17(19)23-24-18(20)22-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3",ZACVGCNKGYYQHA-UHFFFAOYSA-N,C18H34O6,346.5,346.2355388,7.3,71.1,299,0,0,6,17,24,,,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1,1,1,0,0
"PEROXYDICARBONIC ACID, BIS(1-METHYLPROPYL) ESTER",019910-65-7,89245,butan-2-yl butan-2-yloxycarbonyloxy carbonate,CCC(C)OC(=O)OOC(=O)OC(C)CC,"InChI=1S/C10H18O6/c1-5-7(3)13-9(11)15-16-10(12)14-8(4)6-2/h7-8H,5-6H2,1-4H3",NSGQRLUGQNBHLD-UHFFFAOYSA-N,C10H18O6,234.25,234.1103383,3.7,71.1,203,0,0,6,9,16,,,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,1,1,0,0,0
"PEROXYDICARBONIC ACID, DIHEXADECYL ESTER",026322-14-5,62810,hexadecoxycarbonyloxy hexadecyl carbonate,CCCCCCCCCCCCCCCCOC(=O)OOC(=O)OCCCCCCCCCCCCCCCC,"InChI=1S/C34H66O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-33(35)39-40-34(36)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3",QWVBGCWRHHXMRM-UHFFFAOYSA-N,C34H66O6,570.9,570.4859398,16.5,71.1,479,0,0,6,35,40,,,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0
"NEODECANEPEROXOIC ACID, 1,1-DIMETHYLETHYL ESTER",026748-41-4,11096848,"tert-butyl 2,2-dimethyloctaneperoxoate",CCCCCCC(C)(C)C(=O)OOC(C)(C)C,"InChI=1S/C14H28O3/c1-7-8-9-10-11-14(5,6)12(15)16-17-13(2,3)4/h7-11H2,1-6H3",KQYLUTYUZIVHND-UHFFFAOYSA-N,C14H28O3,244.37,244.2038448,5.1,35.5,226,0,0,3,9,17,,,1,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,1,1,0,0
"PROPANEPEROXOIC ACID, 2,2-DIMETHYL-, 1,1-DIMETHYLPROPYL ESTER",029240-17-3,121798,"2-methylbutan-2-yl 2,2-dimethylpropaneperoxoate",CCC(C)(C)OOC(=O)C(C)(C)C,"InChI=1S/C10H20O3/c1-7-10(5,6)13-12-8(11)9(2,3)4/h7H2,1-6H3",AQKYLAIZOGOPAW-UHFFFAOYSA-N,C10H20O3,188.26,188.1412445,3.1,35.5,177,0,0,3,5,13,,,1,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,1,1,0,0
"CARBONOPEROXOIC ACID, OO-(1,1-DIMETHYLETHYL) O-(2-ETHYLHEXYL) ESTER",034443-12-4,61931,2-ethylhexyl (2-methylpropan-2-yl)oxy carbonate,CCCCC(CC)COC(=O)OOC(C)(C)C,"InChI=1S/C13H26O4/c1-6-8-9-11(7-2)10-15-12(14)16-17-13(3,4)5/h11H,6-10H2,1-5H3",BRQMAAFGEXNUOL-UHFFFAOYSA-N,C13H26O4,246.34,246.1831093,4.7,44.8,208,0,0,4,10,17,,,1,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0,0
"2-PENTANONE, 4-METHYL-, PEROXIDE",037206-20-5,21900096,hydrogen peroxide;4-methylpentan-2-one,CC(C)CC(=O)C.OO,"InChI=1S/C6H12O.H2O2/c1-5(2)4-6(3)7;1-2/h5H,4H2,1-3H3;1-2H",AQIRXGQDSUUKQA-UHFFFAOYSA-N,C6H14O3,134.17,134.0942943,,57.5,64,0,2,3,2,9,,,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,1,1,1,0,0
"PEROXYDICARBONIC ACID, DITETRADECYL ESTER",053220-22-7,104447,tetradecoxycarbonyloxy tetradecyl carbonate,CCCCCCCCCCCCCCOC(=O)OOC(=O)OCCCCCCCCCCCCCC,"InChI=1S/C30H58O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-29(31)35-36-30(32)34-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3",CSKKAINPUYTTRW-UHFFFAOYSA-N,C30H58O6,514.8,514.4233396,14.3,71.1,426,0,0,6,31,36,,,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,1,1,0,0,0
"CARBONOPEROXOIC ACID, OO-(1,1-DIMETHYLPROPYL) O-(2-ETHYLHEXYL) ESTER",070833-40-8,116706,2-ethylhexyl 2-methylbutan-2-yloxy carbonate,CCCCC(CC)COC(=O)OOC(C)(C)CC,"InChI=1S/C14H28O4/c1-6-9-10-12(7-2)11-16-13(15)17-18-14(4,5)8-3/h12H,6-11H2,1-5H3",HTCRKQHJUYBQTK-UHFFFAOYSA-N,C14H28O4,260.37,260.1987594,5.2,44.8,226,0,0,4,11,18,,,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,1,0,1,0,0
PERACETIC ACID,000079-21-0,6585,ethaneperoxoic acid,CC(=O)OO,"InChI=1S/C2H4O3/c1-2(3)5-4/h4H,1H3",KFSLWBXXFJQRDL-UHFFFAOYSA-N,C2H4O3,76.05,76.01604399,-0.4,46.5,40,0,1,3,1,5,"105 °F Peracetic Acid, 60% Acetic Acid Solution (EPA, 1998)","221 °F at 760 mmHg (EPA, 1998)",1,1,1,1,0,0,1,0,0,0,0,0,1,0,0,1,1,0,0,0
TITANIUM TRICHLORIDE,007705-07-9,62646,trichlorotitanium,Cl[Ti](Cl)Cl,InChI=1S/3ClH.Ti/h3*1H;/q;;;+3/p-3,YONPGGFAJWQGJC-UHFFFAOYSA-K,Cl3Ti,154.22,152.854499,,0,8,0,0,0,0,4,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
HAFNIUM (POWDER),007440-58-6,23986,hafnium,[Hf],InChI=1S/Hf,VBJZVLUMGGDVMO-UHFFFAOYSA-N,Hf,178.49,179.94656,,0,0,0,0,0,0,1,,"8316 °F at 760 mmHg (NIOSH, 2024)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIMETHYLALUMINUM,000075-24-1,16682925,trimethylalumane,C[Al](C)C,InChI=1S/3CH3.Al/h3*1H3;,JLTRXTDYQLMHGR-UHFFFAOYSA-N,C3H9Al,72.09,72.0519637,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
LITHIUM DIMETHYLAMIDE,003585-33-9,5152226,lithium dimethylazanide,[Li+].C[N-]C,InChI=1S/C2H6N.Li/c1-3-2;/h1-2H3;/q-1;+1,YDGSUPBDGKOGQT-UHFFFAOYSA-N,C2H6LiN,51,51.06602763,,1,6,0,0,1,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DICHLORO(DIISOPROPYLAMINO)PHOSPHINE,000921-26-6,5139911,N-dichlorophosphanyl-N-propan-2-ylpropan-2-amine,CC(C)N(C(C)C)P(Cl)Cl,"InChI=1S/C6H14Cl2NP/c1-5(2)9(6(3)4)10(7)8/h5-6H,1-4H3",UPPVRFOGRCBSJP-UHFFFAOYSA-N,C6H14Cl2NP,202.06,201.0240918,3.3,3.2,87,0,0,1,2,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DIISOBUTYLALUMINUM HYDRIDE,001191-15-7,14487,bis(2-methylpropyl)alumane,CC(C)C[AlH]CC(C)C,"InChI=1S/2C4H9.Al.H/c2*1-4(2)3;;/h2*4H,1H2,2-3H3;;",AZWXAPCAJCYGIA-UHFFFAOYSA-N,C8H19Al,142.22,142.130214,,0,49,0,0,0,4,9,,105 °C @ 0.2 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TRIPROPYLPHOSPHINE,002234-97-1,75226,tripropylphosphane,CCCP(CCC)CCC,"InChI=1S/C9H21P/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3",KCTAHLRCZMOTKM-UHFFFAOYSA-N,C9H21P,160.24,160.1380877,2.6,0,47,0,0,0,6,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM TETRAETHYLBORATE (1-),015523-24-7,23681030,sodium tetraethylboranuide,[B-](CC)(CC)(CC)CC.[Na+],"InChI=1S/C8H20B.Na/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;/q-1;+1",SZSBMTRYJRHYNI-UHFFFAOYSA-N,C8H20BNa,150.05,150.1555751,,0,52,0,0,1,0,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIS(TRIMETHYLSILYL)PHOSPHINE,015573-38-3,272683,tris(trimethylsilyl)phosphane,C[Si](C)(C)P([Si](C)(C)C)[Si](C)(C)C,"InChI=1S/C9H27PSi3/c1-11(2,3)10(12(4,5)6)13(7,8)9/h1-9H3",OUMZKMRZMVDEOF-UHFFFAOYSA-N,C9H27PSi3,250.54,250.1158175,,0,137,0,0,0,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRI-I-BUTYLALUMINUM,000100-99-2,16682931,tris(2-methylpropyl)alumane,CC(C)C[Al](CC(C)C)CC(C)C,"InChI=1S/3C4H9.Al/c3*1-4(2)3;/h3*4H,1H2,2-3H3;",MCULRUJILOGHCJ-UHFFFAOYSA-N,C12H27Al,198.32,198.1928143,,0,92,0,0,0,6,13,-23 °C (closed cup),"414 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TITANIUM DICHLORIDE,010049-06-6,66228,dichlorotitanium,Cl[Ti]Cl,InChI=1S/2ClH.Ti/h2*1H;/q;;+2/p-2,ZWYDDDAMNQQZHD-UHFFFAOYSA-L,Cl2Ti,118.77,117.885646,,0,2,0,0,0,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"TRIS(1,1-DIMETHYLETHYL)PHOSPHINE",013716-12-6,83681,tritert-butylphosphane,CC(C)(C)P(C(C)(C)C)C(C)(C)C,"InChI=1S/C12H27P/c1-10(2,3)13(11(4,5)6)12(7,8)9/h1-9H3",BWHDROKFUHTORW-UHFFFAOYSA-N,C12H27P,202.32,202.1850379,2.9,0,128,0,0,0,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DI-TERT-BUTYLMETHYLPHOSPHINE,006002-40-0,4190634,ditert-butyl(methyl)phosphane,CC(C)(C)P(C)C(C)(C)C,"InChI=1S/C9H21P/c1-8(2,3)10(7)9(4,5)6/h1-7H3",JURBTQKVGNFPRJ-UHFFFAOYSA-N,C9H21P,160.24,160.1380877,1.9,0,88,0,0,0,2,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ALUMINUM, TRIPROPYL-",000102-67-0,16683069,tripropylalumane,CCC[Al](CCC)CCC,"InChI=1S/3C3H7.Al/c3*1-3-2;/h3*1,3H2,2H3;",CNWZYDSEVLFSMS-UHFFFAOYSA-N,C9H21Al,156.24,156.1458641,,0,47,0,0,0,6,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"INDIUM, TRIETHYL-",000923-34-2,101912,triethylindigane,CC[In](CC)CC,"InChI=1S/3C2H5.In/c3*1-2;/h3*1H2,2H3;",OTRPZROOJRIMKW-UHFFFAOYSA-N,C6H15In,202,202.0212543,,0,25,0,0,0,3,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRIOCTYLALUMINUM,001070-00-4,16682948,trioctylalumane,CCCCCCCC[Al](CCCCCCCC)CCCCCCCC,"InChI=1S/3C8H17.Al/c3*1-3-5-7-8-6-4-2;/h3*1,3-8H2,2H3;",LFXVBWRMVZPLFK-UHFFFAOYSA-N,C24H51Al,366.6,366.380615,,0,188,0,0,0,21,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ALUMINUM, TRIBUTYL-",001116-70-7,16682950,tributylalumane,CCCC[Al](CCCC)CCCC,"InChI=1S/3C4H9.Al/c3*1-3-4-2;/h3*1,3-4H2,2H3;",SQBBHCOIQXKPHL-UHFFFAOYSA-N,C12H27Al,198.32,198.1928143,,0,72,0,0,0,9,13,,110 °C @ 0.4 kPa,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ALUMINUM, TRIHEXYL-",001116-73-0,16682951,trihexylalumane,CCCCCC[Al](CCCCCC)CCCCCC,"InChI=1S/3C6H13.Al/c3*1-3-5-6-4-2;/h3*1,3-6H2,2H3;",ORYGRKHDLWYTKX-UHFFFAOYSA-N,C18H39Al,282.5,282.2867147,,0,127,0,0,0,15,19,,105 °C @ 0.001 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DIBUTYLMAGNESIUM,001191-47-5,70929,magnesium butane,CCC[CH2-].CCC[CH2-].[Mg+2],"InChI=1S/2C4H9.Mg/c2*1-3-4-2;/h2*1,3-4H2,2H3;/q2*-1;+2",KJJBSBKRXUVBMX-UHFFFAOYSA-N,C8H18Mg,138.53,138.1258923,,0,16,0,0,2,2,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ALUMINUM, TRIDODECYL-",001529-59-5,16682963,tridodecylalumane,CCCCCCCCCCCC[Al](CCCCCCCCCCCC)CCCCCCCCCCCC,"InChI=1S/3C12H25.Al/c3*1-3-5-7-9-11-12-10-8-6-4-2;/h3*1,3-12H2,2H3;",XBEXIHMRFRFRAM-UHFFFAOYSA-N,C36H75Al,535,534.5684158,,0,322,0,0,0,33,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
BROMOHEXYLMAGNESIUM,003761-92-0,4184939,magnesium;hexane;bromide,CCCCC[CH2-].[Mg+2].[Br-],"InChI=1S/C6H13.BrH.Mg/c1-3-5-6-4-2;;/h1,3-6H2,2H3;1H;/q-1;;+2/p-1",LZFCBBSYZJPPIV-UHFFFAOYSA-M,C6H13BrMg,189.38,188.0051,,0,24,0,0,2,3,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ALUMINUM, TRICHLOROTRIMETHYLDI-",012542-85-7,61568,chloro(dimethyl)alumane;dichloro(methyl)alumane,C[Al](C)Cl.C[Al](Cl)Cl,InChI=1S/3CH3.2Al.3ClH/h3*1H3;;;3*1H/q;;;+1;+2;;;/p-3,HYZXMVILOKSUKA-UHFFFAOYSA-K,C3H9Al2Cl3,205.42,203.94006,,0,27,0,0,0,0,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"MAGNESIUM, BUTYL(1-METHYLPROPYL)-",039881-32-8,162398,magnesium;butane;butane,CCC[CH2-].CC[CH-]C.[Mg+2],"InChI=1S/2C4H9.Mg/c2*1-3-4-2;/h3H,4H2,1-2H3;1,3-4H2,2H3;/q2*-1;+2",VCTCXZDCRFISFF-UHFFFAOYSA-N,C8H18Mg,138.53,138.1258923,,0,20,0,0,2,2,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"MAGNESIUM, BUTYLOCTYL-",069929-18-6,112348,magnesium;butane;octane,CCC[CH2-].CCCCCCC[CH2-].[Mg+2],"InChI=1S/C8H17.C4H9.Mg/c1-3-5-7-8-6-4-2;1-3-4-2;/h1,3-8H2,2H3;1,3-4H2,2H3;/q2*-1;+2",KXDANLFHGCWFRQ-UHFFFAOYSA-N,C12H26Mg,194.64,194.1884925,,0,53,0,0,2,6,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHINE, (2,4,4-TRIMETHYLPENTYL)-",082164-75-8,174255,"2,4,4-trimethylpentylphosphane",CC(CC(C)(C)C)CP,"InChI=1S/C8H19P/c1-7(6-9)5-8(2,3)4/h7H,5-6,9H2,1-4H3",WKUJXKQEUURINH-UHFFFAOYSA-N,C8H19P,146.21,146.1224376,2.8,0,71,0,0,0,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
LITHIUM TRIETHYLHYDROBORATE,022560-16-3,23712863,,[Li+].[B-](CC)(CC)CC,"InChI=1S/C6H15B.Li/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;/q-1;+1",AMCNGINELBODDW-UHFFFAOYSA-N,C6H15BLi,105,105.1426841,,0,30,0,0,1,0,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
TRISILANE,007783-26-8,6327667,,[Si]=[Si]=[Si],InChI=1S/Si3/c1-3-2,YBILFZWSTSXODU-UHFFFAOYSA-N,Si3,84.25,83.9307796,,0,15,0,0,0,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEXYLLITHIUM,021369-64-2,2733163,lithium hexane,[Li+].CCCCC[CH2-],"InChI=1S/C6H13.Li/c1-3-5-6-4-2;/h1,3-6H2,2H3;/q-1;+1",CETVQRFGPOGIQJ-UHFFFAOYSA-N,C6H13Li,92.1,92.11772885,,0,20,0,0,1,3,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
METHYLALUMINOXAN (POLY[OXY(METHYLALUMINO)]),120144-90-3,16685262,methyl(oxo)alumane,C[Al]=O,InChI=1S/CH3.Al.O/h1H3;;,CPOFMOWDMVWCLF-UHFFFAOYSA-N,CH3AlO,58.015,57.9999281,,17.1,12,0,0,1,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
BROMODODECYLMAGNESIUM,015890-72-9,3662892,magnesium;dodecane;bromide,CCCCCCCCCCC[CH2-].[Mg+2].[Br-],"InChI=1S/C12H25.BrH.Mg/c1-3-5-7-9-11-12-10-8-6-4-2;;/h1,3-12H2,2H3;1H;/q-1;;+2/p-1",MBHQEXPGNCWWBP-UHFFFAOYSA-M,C12H25BrMg,273.54,272.09901,,0,76,0,0,2,9,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DECYLMAGNESIUM BROMIDE,017049-50-2,4076984,magnesium;decane;bromide,CCCCCCCCC[CH2-].[Mg+2].[Br-],"InChI=1S/C10H21.BrH.Mg/c1-3-5-7-9-10-8-6-4-2;;/h1,3-10H2,2H3;1H;/q-1;;+2/p-1",CWTPEXDGZPTZSH-UHFFFAOYSA-M,C10H21BrMg,245.48,244.0677,,0,57,0,0,2,7,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRIETHYLALUMINUM,000097-93-8,16682930,triethylalumane,CC[Al](CC)CC,"InChI=1S/3C2H5.Al/c3*1-2;/h3*1H2,2H3;",VOITXYVAKOUIBA-UHFFFAOYSA-N,C6H15Al,114.16,114.0989139,,0,25,0,0,0,3,7,"-63 °F (NFPA, 2010)","367.9 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DIETHYL ZINC,000557-20-0,101667988,,C[CH2].C[CH2].[Zn],"InChI=1S/2C2H5.Zn/c2*1-2;/h2*1H2,2H3;",HQWPLXHWEZZGKY-UHFFFAOYSA-N,C4H10Zn,123.5,122.007392,,0,0,0,0,0,0,5,,"255 °F at 760 mmHg (USCG, 1999)",1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
BUTYLLITHIUM,000109-72-8,53627823,,[Li].CCC[CH2],"InChI=1S/C4H9.Li/c1-3-4-2;/h1,3-4H2,2H3;",MZRVEZGGRBJDDB-UHFFFAOYSA-N,C4H9Li,64.1,64.08642872,,0,4,0,0,0,1,5,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"MAGNESIUM METAL, POWDER, GRANULES, SHAVINGS, RIBBONS, TURNINGS, FOIL, PIECES",007439-95-4,5462224,magnesium,[Mg],InChI=1S/Mg,FYYHWMGAXLPEAU-UHFFFAOYSA-N,Mg,24.305,23.9850417,,0,0,0,0,0,0,1,500 °C,"2012 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
LITHIUM METHOXIDE,000865-34-9,4177230,lithium methanolate,[Li+].C[O-],InChI=1S/CH3O.Li/c1-2;/h1H3;/q-1;+1,JILPJDVXYVTZDQ-UHFFFAOYSA-N,CH3LiO,38,38.03439315,,23.1,4,0,0,1,0,3,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM METHOXIDE,000124-41-4,10942334,sodium methanolate,C[O-].[Na+],InChI=1S/CH3O.Na/c1-2;/h1H3;/q-1;+1,WQDUMFSSJAZKTM-UHFFFAOYSA-N,CH3NaO,54.024,54.008159,,23.1,4,0,0,1,0,3,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM ETHOXIDE,000141-52-6,2723922,sodium ethanolate,CC[O-].[Na+],"InChI=1S/C2H5O.Na/c1-2-3;/h2H2,1H3;/q-1;+1",QDRKDTQENPPHOJ-UHFFFAOYSA-N,C2H5NaO,68.05,68.02380906,,23.1,6,0,0,1,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM METHOXIDE,000865-33-8,23664618,potassium methanolate,C[O-].[K+],InChI=1S/CH3O.K/c1-2;/h1H3;/q-1;+1,BDAWXSQJJCIFIK-UHFFFAOYSA-N,CH3KO,70.132,69.9820962,,23.1,4,0,0,1,0,3,11 °C c.c.,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
FORMAMIDINESULFINIC ACID,001758-73-2,61274,amino(imino)methanesulfinic acid,C(=N)(N)S(=O)O,"InChI=1S/CH4N2O2S/c2-1(3)6(4)5/h(H3,2,3)(H,4,5)",FYOWZTWVYZOZSI-UHFFFAOYSA-N,CH4N2O2S,108.12,107.9993486,-1.1,106,89,0,3,4,1,6,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
MAGNESIUM SULFIDE,012032-36-9,82824,sulfanylidenemagnesium,[Mg]=S,InChI=1S/Mg.S,SMDQFHZIWNYSMR-UHFFFAOYSA-N,MgS,56.37,55.9571129,,32.1,2,0,0,1,0,2,,,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TITANIUM (IV) SULFIDE,012039-13-3,61544,bis(sulfanylidene)titanium,S=[Ti]=S,InChI=1S/2S.Ti,CFJRPNFOLVDFMJ-UHFFFAOYSA-N,S2Ti,112,111.892083,,64.2,18,0,0,2,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BARIUM ISOPROPOXIDE,024363-37-9,6101105,barium(2+);bis(propan-2-olate),CC(C)[O-].CC(C)[O-].[Ba+2],"InChI=1S/2C3H7O.Ba/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2",CPUJSIVIXCTVEI-UHFFFAOYSA-N,C6H14BaO2,255.5,256.004627,,46.1,10,0,0,2,0,9,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
LITHIUM METAL,007439-93-2,3028194,lithium,[Li],InChI=1S/Li,WHXSMMKQMYFTQS-UHFFFAOYSA-N,Li,7,7.01600343,,0,0,0,0,0,0,1,,1336 °C (2437 °F),0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM METAL,007440-09-7,5462222,potassium,[K],InChI=1S/K,ZLMJMSJWJFRBEC-UHFFFAOYSA-N,K,39.0983,38.96370648,,0,0,0,0,0,0,1,"Not Applicable. Combustible solid. (USCG, 1999)","1425 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM METAL,007440-23-5,5360545,sodium,[Na],InChI=1S/Na,KEAYESYHFKHZAL-UHFFFAOYSA-N,Na,22.9897693,22.98976928,,0,0,0,0,0,0,1,,"1621 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
RUBIDIUM METAL,007440-17-7,5357696,rubidium,[Rb],InChI=1S/Rb,IGLNJRXAVVLDKE-UHFFFAOYSA-N,Rb,85.468,84.91178974,,0,0,0,0,0,0,1,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM BOROHYDRIDE,013762-51-1,4192641,potassium boranuide,[BH4-].[K+],InChI=1S/BH4.K/h1H4;/q-1;+1,ICRGAIPBTSPUEX-UHFFFAOYSA-N,BH4K,53.94,54.0043118,,0,2,0,0,1,0,2,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
OXALYL CHLORIDE,000079-37-8,65578,oxalyl dichloride,C(=O)(C(=O)Cl)Cl,InChI=1S/C2Cl2O2/c3-1(5)2(4)6,CTSLXHKWHWQRSH-UHFFFAOYSA-N,C2Cl2O2,126.92,125.9275346,1.7,34.1,75,0,0,2,1,6,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM BOROHYDRIDE,016940-66-2,4311764,sodium boranuide,[BH4-].[Na+],InChI=1S/BH4.Na/h1H4;/q-1;+1,YOQDYZUWIQVZSF-UHFFFAOYSA-N,BH4Na,37.84,38.0303746,,0,2,0,0,1,0,2,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
CALCIUM NITRIDE,012013-82-0,3387080,calcium azanidylidenecalcium,[N-]=[Ca].[N-]=[Ca].[Ca+2],InChI=1S/3Ca.2N/q;;+2;2*-1,XCNGEWCFFFJZJT-UHFFFAOYSA-N,Ca3N2,148.25,147.8939206,,2,6,0,0,2,0,5,,,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
RUBIDIUM OXIDE,018088-11-4,87451,bis(rubidium(1+));hydroxide,[OH-].[Rb+].[Rb+],InChI=1S/H2O.2Rb/h1H2;;/q;2*+1/p-1,CWBWCLMMHLCMAM-UHFFFAOYSA-M,HORb2+,187.943,186.8263191,,1,2,1,1,1,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM AMIDE,007782-92-5,24533,sodium azanide,[NH2-].[Na+],InChI=1S/H2N.Na/h1H2;/q-1;+1,ODZPKZBBUMBTMG-UHFFFAOYSA-N,H2NNa,39.013,39.00849335,,1,2,0,1,1,0,2,,"752 °F at 760 mmHg (USCG, 1999)",1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
LITHIUM-6,014258-72-1,6337039,lithium-6,[6Li],InChI=1S/Li/i1-1,WHXSMMKQMYFTQS-BJUDXGSMSA-N,Li,6.01512289,6.01512289,,0,0,0,0,0,0,1,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ZINC PHOSPHIDE,001314-84-7,25113606,trizinc bis(phosphorus(3-)),[P-3].[P-3].[Zn+2].[Zn+2].[Zn+2],InChI=1S/2P.3Zn/q2*-3;3*+2,IGSZOEHCOKSBEI-UHFFFAOYSA-N,P2Zn3,258.1,255.73184,,0,0,0,0,2,0,5,,"2012 °F at 760 mmHg (EPA, 1998)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM-POTASSIUM ALLOY,011135-81-2,16211683,potassium;sodium,[Na].[K],InChI=1S/K.Na,BITYAPCSNKJESK-UHFFFAOYSA-N,KNa,62.0881,61.95347577,,0,0,0,0,0,0,2,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ALUMINUM HYDRIDE,007784-21-6,14488,alumane,[AlH3],InChI=1S/Al.3H,AZDRQVAHHNSJOQ-UHFFFAOYSA-N,AlH3,30.005,30.0050135,,0,0,0,0,0,0,1,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM ALUMINUM HYDRIDE,013770-96-2,26266,sodium alumanuide,[Na+].[AlH4-],InChI=1S/Al.Na.4H/q-1;+1;;;;,MNYCIYRTKITUKR-UHFFFAOYSA-N,AlH4Na,54.003,54.0026078,,0,0,0,0,1,0,2,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
BORON TRIFLUORIDE COMPOUND WITH METHYL ETHER (1:1),000353-42-4,2724165,methoxymethane;trifluoroborane,B(F)(F)F.COC,InChI=1S/C2H6O.BF3/c1-3-2;2-1(3)4/h1-2H3;,KTPWETRNSUKEME-UHFFFAOYSA-N,C2H6BF3O,113.88,114.0463795,,9.2,24,0,0,4,0,7,62 °C,"258.8 °F at 760 mmHg (EPA, 1998)",0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,0
BORON PHOSPHIDE,012008-82-1,88409,boranylidynephosphane,B#P,InChI=1S/BP/c1-2,FFBGYFUYJVKRNV-UHFFFAOYSA-N,BP,41.79,41.9830672,,0,10,0,0,0,0,2,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MAGNESIUM PHOSPHIDE,012057-74-8,61546,trimagnesium bis(phosphorus(3-)),[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3],InChI=1S/3Mg.2P/q3*+2;2*-3,VUBDMGXNLNDGIY-UHFFFAOYSA-N,Mg3P2,134.86,133.9026491,,0,0,0,0,2,0,5,,,1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"LITHIUM, ISOTOPE OF MASS 7",013982-05-3,11564465,lithium-7,[7Li],InChI=1S/Li/i1+0,WHXSMMKQMYFTQS-IGMARMGPSA-N,Li,7.01600343,7.01600343,,0,0,0,0,0,0,1,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRIS (DIMETHYLAMINO) ALUMINUM DIMER,032093-39-3,16688802,N-[bis(dimethylamino)alumanyl]-N-methylmethanamine,CN(C)[Al](N(C)C)N(C)C.CN(C)[Al](N(C)C)N(C)C,InChI=1S/6C2H6N.2Al/c6*1-3-2;;/h6*1-2H3;;/q6*-1;2*+3,JGZUJELGSMSOID-UHFFFAOYSA-N,C12H36Al2N6,318.42,318.263222,,19.4,74,0,0,6,6,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"MAGNESIUM, IODOMETHYL-",000917-64-6,101907,magnesium;carbanide;iodide,[CH3-].[Mg+2].[I-],InChI=1S/CH3.HI.Mg/h1H3;1H;/q-1;;+2/p-1,VXWPONVCMVLXBW-UHFFFAOYSA-M,CH3IMg,166.24,165.91299,,0,4,0,0,2,0,3,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ALUMINUM, DICHLOROMETHYL-",000917-65-7,101908,dichloro(methyl)alumane,C[Al](Cl)Cl,InChI=1S/CH3.Al.2ClH/h1H3;;2*1H/q;+2;;/p-2,YSTQWZZQKCCBAY-UHFFFAOYSA-L,CH3AlCl2,112.92,111.9427189,,0,13,0,0,0,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
STRONTIUM HYDRIDE (SRH2),013598-33-9,83606,strontium hydride,[H-].[H-].[Sr+2],InChI=1S/Sr.2H/q+2;2*-1,ONYCUIABXVBCTR-UHFFFAOYSA-N,H2Sr,89.64,89.92126232,,0,0,0,0,2,0,1,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BORATE(1-), HYDROTRIS(1-METHYLPROPYL)-, POTASSIUM, (T-4)-",054575-49-4,23712865,,[B-](C(C)CC)(C(C)CC)C(C)CC.[K+],"InChI=1S/C12H27B.K/c1-7-10(4)13(11(5)8-2)12(6)9-3;/h10-12H,7-9H2,1-6H3;/q-1;+1",NHYQAKNGPZLNOH-UHFFFAOYSA-N,C12H27BK,221.25,221.1842875,,0,104,0,0,1,3,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
3-BUTENYLMAGNESIUM BROMIDE,007103-09-5,3451969,magnesium;but-1-ene;bromide,[CH2-]CC=C.[Mg+2].[Br-],"InChI=1S/C4H7.BrH.Mg/c1-3-4-2;;/h3H,1-2,4H2;1H;/q-1;;+2/p-1",JAUWOQLHLFMTON-UHFFFAOYSA-M,C4H7BrMg,159.31,157.95815,,0,21,0,0,2,1,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CALCIUM HYDRIDE,007789-78-8,3033859,calcium hydride,[H-].[H-].[Ca+2],InChI=1S/Ca.2H/q+2;2*-1,UUGAXJGDKREHIO-UHFFFAOYSA-N,CaH2,42.09,41.9782409,,0,0,0,0,2,0,1,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
STRONTIUM METAL,007440-24-6,5359327,strontium,[Sr],InChI=1S/Sr,CIOAGBVUUVVLOB-UHFFFAOYSA-N,Sr,87.62,87.90561225,,0,0,0,0,0,0,1,,1390 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
MAGNESIUM SILICIDE,022831-39-6,89858,,[Mg]=[Si]=[Mg],InChI=1S/2Mg.Si,YTHCQFKNFVSQBC-UHFFFAOYSA-N,Mg2Si,76.7,75.9470099,,0,18,0,0,0,0,3,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ALUMINUM CARBIDE,001299-86-1,16685054,alumanylidynemethyl(alumanylidynemethylalumanylidenemethylidene)alumane,C(#[Al])[Al]=C=[Al]C#[Al],InChI=1S/3C.4Al,CAVCGVPGBKGDTG-UHFFFAOYSA-N,C3Al4,143.96,143.926154,,0,164,0,0,0,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
YTTRIUM SULFIDE,012039-19-9,166021,bis(yttrium(3+));trisulfide,[S-2].[S-2].[S-2].[Y+3].[Y+3],InChI=1S/3S.2Y/q3*-2;2*+3,BPMRLDMEAPSVQN-UHFFFAOYSA-N,S3Y2,274,273.72789,,3,0,0,0,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CALCIUM SILICIDE,012013-56-8,170839545,,[Si].[Si].[Ca],InChI=1S/Ca.2Si,HAUJAPUPPYHUGS-UHFFFAOYSA-N,CaSi2,96.25,95.9164439,,0,0,0,0,0,0,3,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SILICON SULFIDE,013759-10-9,83705,bis(sulfanylidene)silane,[Si](=S)=S,InChI=1S/S2Si/c1-3-2,KHDSWONFYIAAPE-UHFFFAOYSA-N,S2Si,92.22,91.92106888,,64.2,18,0,0,2,0,3,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MAGNESIUM BORIDE,012007-25-9,15987061,,[B].[B].[Mg],InChI=1S/2B.Mg,PZKRHHZKOQZHIO-UHFFFAOYSA-N,B2Mg,45.93,46.003652,,0,0,0,0,0,0,3,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
FERROSILICON,008049-17-0,91886646,,[Si]#[Si].[Fe],InChI=1S/Fe.Si2/c;1-2,KRMAWHGVFKZFFP-UHFFFAOYSA-N,FeSi2,112.02,111.888789,,0,10,0,0,0,0,3,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRAMETHYLAMMONIUM BOROHYDRATE,016883-45-7,28122,boranuide;tetramethylazanium,[BH4-].C[N+](C)(C)C,"InChI=1S/C4H12N.BH4/c1-5(2,3)4;/h1-4H3;1H4/q+1;-1",LSSMEJCYZMCNIN-UHFFFAOYSA-N,C4H16BN,88.99,89.1375797,,0,19,0,0,1,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TETRABUTYLAMMONIUM BOROHYDRIDE,033725-74-5,169536,boranuide;tetrabutylazanium,[BH4-].CCCC[N+](CCCC)(CCCC)CCCC,"InChI=1S/C16H36N.BH4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H4/q+1;-1",GMBOFJFPOCGSOI-UHFFFAOYSA-N,C16H40BN,257.3,257.3253804,,0,116,0,0,1,12,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"N,N,N-TRIETHYLETHANAMINIUM TETRAHYDROBORATE(1-)",017083-85-1,6328190,,[B-].CC[N+](CC)(CC)CC,"InChI=1S/C8H20N.B/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;/q+1;-1",UFPFKFVWHLBHCA-UHFFFAOYSA-N,C8H20BN,141.06,141.1688798,,0,47,0,0,1,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CALCIUM BOROHYDRIDE,017068-95-0,10313052,,[B-].[B-].[Ca+2],InChI=1S/2B.Ca/q2*-1;+2,SKELNJYWRSBREH-UHFFFAOYSA-N,B2Ca,61.7,61.9812012,,0,0,0,0,2,0,3,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM ACETYLIDE (NA(C2H)),001066-26-8,2733336,sodium ethyne,C#[C-].[Na+],InChI=1S/C2H.Na/c1-2;/h1H;/q-1;+1,SFDZETWZUCDYMD-UHFFFAOYSA-N,C2HNa,48.02,47.99759431,,0,10,0,0,1,0,3,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CALCIUM SILICIDE (CASI),012013-55-7,6336872,,[Si]=[Ca],InChI=1S/Ca.Si,OSMSIOKMMFKNIL-UHFFFAOYSA-N,CaSi,68.16,67.9395174,,0,2,0,0,0,0,2,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CALCIUM METAL,007440-70-2,5460341,calcium,[Ca],InChI=1S/Ca,OYPRJOBELJOOCE-UHFFFAOYSA-N,Ca,40.08,39.9625908,,0,0,0,0,0,0,1,,"2714 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
NITROGEN TETROXIDE,010544-72-6,25352,,[N+](=O)([N+](=O)[O-])[O-],InChI=1S/N2O4/c3-1(4)2(5)6,WFPZPJSADLPSON-UHFFFAOYSA-N,N2O4,92.011,91.98580649,0.4,91.6,60,0,0,4,0,6,,"70.1 °F at 760 mmHg (USCG, 1999)",0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
NITROUS OXIDE,010024-97-2,948,nitrous oxide,[N-]=[N+]=O,InChI=1S/N2O/c1-2-3,GQPLMRYTRLFLPF-UHFFFAOYSA-N,N2O,44.013,44.00106263,0.5,19.1,25,0,0,2,0,3,,"-129.1 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
NITROGEN TRIFLUORIDE,007783-54-2,24553,,N(F)(F)F,InChI=1S/F3N/c1-4(2)3,GVGCUCJTUSOZKP-UHFFFAOYSA-N,F3N,71.002,70.99828349,1.9,3.2,8,0,0,4,0,4,,"-200 °F at 760 mmHg (NIOSH, 2024)",0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
OZONE,010028-15-6,24823,ozone,[O-][O+]=O,InChI=1S/O3/c1-3-2,CBENFWSGALASAD-UHFFFAOYSA-N,O3,47.998,47.98474386,-1.7,41.1,4,0,0,2,0,3,,"-169.6 °F at 760 mmHg (EPA, 1998)",1,0,1,0,0,0,1,1,0,0,1,0,0,0,0,0,1,0,1,1
NITROGEN TRIOXIDE,010544-73-7,61526,N-oxonitramide,N(=O)[N+](=O)[O-],InChI=1S/N2O3/c3-1-2(4)5,LZDSILRDTDCIQT-UHFFFAOYSA-N,N2O3,76.012,75.99089187,-0.1,75.3,50,0,0,4,0,5,,38 °F,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
NITRIC-15N OXIDE,014706-82-2,71310107,,[15N]=[18O],"InChI=1S/NO/c1-2/i1+1,2+2",MWUXSHHQAYIFBG-RGIGPVFXSA-N,NO,32.99926851,32.99926851,0.2,18.1,2,0,0,1,0,2,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
NITROSYL CHLORIDE,002696-92-6,17601,nitrosyl chloride,N(=O)Cl,InChI=1S/ClNO/c1-2-3,VPCDQGACGWYTMC-UHFFFAOYSA-N,ClNO,65.46,64.9668413,0.7,29.4,12,0,0,2,0,3,,"21.6 °F at 760 mmHg (USCG, 1999)",0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CHLORINE DIOXIDE,010049-04-4,24870,,O=Cl[O],InChI=1S/ClO2/c2-1-3,OSVXSBDYLRYLIG-UHFFFAOYSA-N,ClO2,67.45,66.9586819,1.4,18.1,7,0,0,1,0,3,NA (Gas) ? (Liquid),"52 °F at 760 mmHg (NIOSH, 2024)",1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
OXYGEN,007782-44-7,977,molecular oxygen,O=O,InChI=1S/O2/c1-2,MYMOFIZGZYHOMD-UHFFFAOYSA-N,O2,31.999,31.98982924,-1.1,34.1,0,0,0,2,0,2,,"-297.3 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM PEROXIDE,001313-60-6,14803,disodium;peroxide,[O-][O-].[Na+].[Na+],InChI=1S/2Na.O2/c;;1-2/q2*+1;-2,PFUVRDFDKPNGAV-UHFFFAOYSA-N,Na2O2,77.978,77.9693678,,46.1,4,0,0,2,0,4,,"657 °C, decomp",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PERCHLORIC ACID (>/=60-</=72%),007601-90-3,24247,perchloric acid,OCl(=O)(=O)=O,"InChI=1S/ClHO4/c2-1(3,4)5/h(H,2,3,4,5)",VLTRZXGMWDSKGL-UHFFFAOYSA-N,ClHO4,100.46,99.9563362,2.3,71.4,114,0,1,4,0,5,,19 °C @ 11 MM HG,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
LITHIUM PERCHLORATE,007791-03-9,23665649,lithium perchlorate,[Li+].[O-]Cl(=O)(=O)=O,"InChI=1S/ClHO4.Li/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",MHCFAGZWMAWTNR-UHFFFAOYSA-M,ClLiO4,106.4,105.9645146,,74.3,118,0,0,4,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
PALLADIUM OXIDE,001314-08-5,5083724,oxopalladium,O=[Pd],InChI=1S/O.Pd,HBEQXAKJSGXAIQ-UHFFFAOYSA-N,OPd,122.42,121.89839,,17.1,2,0,0,1,0,2,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PLATINUM OXIDE,001314-15-4,345198,dioxoplatinum,O=[Pt]=O,InChI=1S/2O.Pt,YKIOKAURTKXMSB-UHFFFAOYSA-N,O2Pt,227.08,226.954624,,34.1,18,0,0,2,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
RHODIUM(III) OXIDE,012036-35-0,159409,tris(oxygen(2-));bis(rhodium(3+)),[O-2].[O-2].[O-2].[Rh+3].[Rh+3],InChI=1S/3O.2Rh/q3*-2;2*+3,XBBXDTCPEWHXKL-UHFFFAOYSA-N,O3Rh2,253.809,253.79573,,3,0,0,0,3,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
RUTHENIUM TETROXIDE,020427-56-9,119079,tetraoxoruthenium,O=[Ru](=O)(=O)=O,InChI=1S/4O.Ru,GJFMDWMEOCWXGJ-UHFFFAOYSA-N,O4Ru,165.1,165.883999,,68.3,138,0,0,4,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
IODINE PENTAFLUORIDE,007783-66-6,522683,pentafluoro-lambda5-iodane,FI(F)(F)(F)F,"InChI=1S/F5I/c1-6(2,3,4)5",PJIYEPACCBMRLZ-UHFFFAOYSA-N,F5I,221.8965,221.89649,3.6,0,37,0,0,5,0,6,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM SUPEROXIDE,012030-88-5,61541,potassium molecular oxygen,O=O.[K+],InChI=1S/K.O2/c;1-2/q+1;,CLSKHAYBTFRDOV-UHFFFAOYSA-N,KO2+,71.097,70.95353572,,34.1,0,1,0,2,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CALCIUM PERCHLORATE,013477-36-6,61629,calcium diperchlorate,[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ca+2],"InChI=1S/Ca.2ClHO4/c;2*2-1(3,4)5/h;2*(H,2,3,4,5)/q+2;;/p-2",ZQAOXERLHGRFIC-UHFFFAOYSA-L,CaCl2O8,238.98,237.8596132,,149,95,0,0,8,0,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CESIUM PERCHLORATE,013454-84-7,123309,cesium perchlorate,[O-]Cl(=O)(=O)=O.[Cs+],"InChI=1S/ClHO4.Cs/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",WKDKOOITVYKILI-UHFFFAOYSA-M,ClCsO4,232.35,231.8539631,,74.3,118,0,0,4,0,6,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
RHODIUM (III) NITRATE DIHYDRATE,013465-43-5,23165641,rhodium(3+);trinitrate;dihydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.[Rh+3],InChI=1S/3NO3.2H2O.Rh/c3*2-1(3)4;;;/h;;;2*1H2;/q3*-1;;;+3,SULCFFJNLVZXGH-UHFFFAOYSA-N,H4N3O11Rh,324.95,324.89008,,191,18,0,2,11,0,15,,,1,0,0,1,0,0,1,1,0,0,1,1,0,0,0,0,1,1,0,0
LITHIUM PEROXIDE,012031-80-0,25489,dilithium;peroxide,[Li+].[Li+].[O-][O-],InChI=1S/2Li.O2/c;;1-2/q2*+1;-2,HPGPEWYJWRWDTP-UHFFFAOYSA-N,Li2O2,45.9,46.02183611,,46.1,4,0,0,2,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
XENON DIFLUORIDE,013709-36-9,83674,difluoroxenon,F[Xe]F,InChI=1S/F2Xe/c1-3-2,IGELFKKMDLGCJO-UHFFFAOYSA-N,F2Xe,169.29,169.9009614,,0,2,0,0,2,0,3,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
NITROSYLSULFURIC ACID,007782-78-7,82157,nitroso hydrogen sulfate,N(=O)OS(=O)(=O)O,"InChI=1S/HNO5S/c2-1-6-7(3,4)5/h(H,3,4,5)",VQTGUFBGYOIUFS-UHFFFAOYSA-N,HNO5S,127.08,126.9575433,-0.9,101,136,0,1,6,1,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
RHODIUM TRINITRATE,010139-58-9,150190,rhodium(3+) trinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Rh+3],InChI=1S/3NO3.Rh/c3*2-1(3)4;/q3*-1;+3,VXNYVYJABGOSBX-UHFFFAOYSA-N,N3O9Rh,288.92,288.86895,,189,18,0,0,9,0,13,,,1,0,0,1,0,0,1,1,0,0,1,1,0,0,0,0,1,1,0,0
PALLADIUM(II) NITRATE DIHYDRATE,032916-07-7,44134881,palladium(2+);dinitrate;dihydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.[Pd+2],InChI=1S/2NO3.2H2O.Pd/c2*2-1(3)4;;;/h;;2*1H2;/q2*-1;;;+2,JUBNUQXDQDMSKL-UHFFFAOYSA-N,H4N2O8Pd,266.46,265.90025,,128,18,0,2,8,0,11,,,1,0,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,0
BARIUM PERCHLORATE TRIHYDRATE,010294-39-0,53249218,barium(2+);diperchlorate;trihydrate,O.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ba+2],"InChI=1S/Ba.2ClHO4.3H2O/c;2*2-1(3,4)5;;;/h;2*(H,2,3,4,5);3*1H2/q+2;;;;;/p-2",NBHDMFAHVJWOHD-UHFFFAOYSA-L,BaCl2H6O11,390.27,389.833963,,152,95,0,3,11,0,14,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CHROMIUM COPPER OXIDE,011104-65-7,159349,chromium;copper;oxygen(2-),[O-2].[Cr].[Cu],InChI=1S/Cr.Cu.O/q;;-2,PSJHTNRVTMXYER-UHFFFAOYSA-N,CrCuO-2,131.54,130.865016,,1,0,-2,0,1,0,3,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
PERCHLORIC ACID-D,019029-50-6,3084301,deuterio perchlorate,[2H]OCl(=O)(=O)=O,"InChI=1S/ClHO4/c2-1(3,4)5/h(H,2,3,4,5)/i/hD",VLTRZXGMWDSKGL-DYCDLGHISA-N,ClHO4,101.46,100.9626129,2.3,71.4,114,0,1,4,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CHROMIUM(VI) OXIDE,001333-82-0,14915,trioxochromium,O=[Cr](=O)=O,InChI=1S/Cr.3O,WGLPBDUCMAPZCE-UHFFFAOYSA-N,CrO3,99.994,99.925249,,51.2,61,0,0,3,0,4,,"482 °F at 760 mmHg (decomposes) (NTP, 1992)",1,1,1,1,0,1,1,1,0,0,1,0,0,1,1,0,1,1,1,0
SODIUM CHLORATE,007775-09-9,516902,sodium chlorate,[O-]Cl(=O)=O.[Na+],"InChI=1S/ClHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",YZHUMGUJCQRKBT-UHFFFAOYSA-M,ClNaO3,106.44,105.9433658,,57.2,49,0,0,3,0,5,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
STRONTIUM NITRATE,010042-76-9,24848,strontium dinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Sr+2],InChI=1S/2NO3.Sr/c2*2-1(3)4;/q2*-1;+2,DHEQXMRUPNDRPG-UHFFFAOYSA-N,N2O6Sr,211.63,211.881248,,126,18,0,0,6,0,9,,"1193 °F at 760 mmHg (USCG, 1999)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CHLORIC ACID, BARIUM SALT",013477-00-4,26059,barium(2+) dichlorate,[O-]Cl(=O)=O.[O-]Cl(=O)=O.[Ba+2],"InChI=1S/Ba.2ClHO3/c;2*2-1(3)4/h;2*(H,2,3,4)/q+2;;/p-2",ISFLYIRWQDJPDR-UHFFFAOYSA-L,BaCl2O6,304.23,303.81244,,114,36,0,0,6,0,9,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM BROMATE,007789-38-0,23668195,sodium bromate,[O-]Br(=O)=O.[Na+],"InChI=1S/BrHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",XUXNAKZDHHEHPC-UHFFFAOYSA-M,BrNaO3,150.89,149.89285,,57.2,49,0,0,3,0,5,,,0,0,0,1,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,1
SODIUM CHLORITE,007758-19-2,23668197,sodium chlorite,[O-]Cl=O.[Na+],"InChI=1S/ClHO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1",UKLNMMHNWFDKNT-UHFFFAOYSA-M,ClNaO2,90.44,89.9484512,,40.1,13,0,0,2,0,4,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
SODIUM PERIODATE,007790-28-5,23667635,sodium periodate,[O-]I(=O)(=O)=O.[Na+],"InChI=1S/HIO4.Na/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",JQWHASGSAFIOCM-UHFFFAOYSA-M,INaO4,213.892,213.8739,,74.3,118,0,0,4,0,6,,Decomposes approx 300 °C,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
ZINC PEROXIDE (ZN(O2)),001314-22-3,14809,hydrogen peroxide;zinc,OO.[Zn],InChI=1S/H2O2.Zn/c1-2;/h1-2H;,DLINORNFHVEIFE-UHFFFAOYSA-N,H2O2Zn,99.4,97.934621,,40.5,2,0,2,2,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM ALUMINATE,001302-42-7,14766,sodium dioxoalumanuide,O=[Al-]=O.[Na+],InChI=1S/Al.Na.2O/q-1;+1;;,IYJYQHRNMMNLRH-UHFFFAOYSA-N,AlNaO2,81.97,81.9611369,,34.1,18,0,0,3,0,4,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
CHROMIC ACID,007738-94-5,24425,dihydroxy(dioxo)chromium,O[Cr](=O)(=O)O,InChI=1S/Cr.2H2O.2O/h;2*1H2;;/q+2;;;;/p-2,KRVSOGSZCMJSLX-UHFFFAOYSA-L,CrH2O4,118.01,117.935813,,74.6,81,0,2,4,0,5,,"Decomposes at about 250 °C /Anhydrous chromic acid, chromic trioxide/",1,1,1,1,0,1,1,1,0,0,1,0,0,1,1,0,1,1,1,0
SODIUM PERCHLORATE MONOHYDRATE,007791-07-3,516899,sodium;perchlorate;hydrate,O.[O-]Cl(=O)(=O)=O.[Na+],"InChI=1S/ClHO4.Na.H2O/c2-1(3,4)5;;/h(H,2,3,4,5);;1H2/q;+1;/p-1",IXGNPUSUVRTQGW-UHFFFAOYSA-M,ClH2NaO5,140.45,139.9488451,,75.3,118,0,1,5,0,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM CHLORATE,003811-04-9,6426889,potassium chlorate,[O-]Cl(=O)=O.[K+],"InChI=1S/ClHO3.K/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",VKJKEPKFPUWCAS-UHFFFAOYSA-M,ClKO3,122.55,121.917303,,57.2,49,0,0,3,0,5,,400 °C (decomposes),0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
HYDROGEN PEROXIDE SOLUTIONS (27.5-<52%),007722-84-1,784,hydrogen peroxide,OO,InChI=1S/H2O2/c1-2/h1-2H,MHAJPDPJQMAIIY-UHFFFAOYSA-N,H2O2,34.015,34.0054793,-0.9,40.5,0,0,2,2,0,2,,"302.4 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CHROMYL CHLORIDE (CRVI),014977-61-8,22150757,chromium(6+);bis(oxygen(2-));dichloride,[O-2].[O-2].[Cl-].[Cl-].[Cr+6],InChI=1S/2ClH.Cr.2O/h2*1H;;;/q;;+6;2*-2/p-2,AKNPEMSZIKCOGC-UHFFFAOYSA-L,Cl2CrO2,154.9,153.868039,,2,0,0,0,4,0,5,,"241 °F at 760 mmHg (USCG, 1999)",1,0,0,0,0,1,1,0,0,0,1,0,0,0,0,0,1,1,0,0
TETRANITROMETHANE,000509-14-8,10509,tetranitromethane,C([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],"InChI=1S/CN4O8/c6-2(7)1(3(8)9,4(10)11)5(12)13",NYTOUQBROMCLBJ-UHFFFAOYSA-N,CN4O8,196.03,195.971613,0.1,183,209,0,0,8,0,13,"greater than 235 °F (NTP, 1992)","259 °F at 760 mmHg (EPA, 1998)",0,0,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CHROMIC NITRATE NONAHYDRATE,007789-02-8,9887206,chromium(3+);trinitrate;nonahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.O.O.O.[Cr+3],InChI=1S/Cr.3NO3.9H2O/c;3*2-1(3)4;;;;;;;;;/h;;;;9*1H2/q+3;3*-1;;;;;;;;;,GVHCUJZTWMCYJM-UHFFFAOYSA-N,CrH18N3O18,400.15,399.99904,,198,18,0,9,18,0,22,,No boiling point at normal pressure; decomposes on heating,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
CALCIUM NITRATE,010124-37-5,24963,calcium dinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Ca+2],InChI=1S/Ca.2NO3/c;2*2-1(3)4/q+2;2*-1,ZCCIPPOKBCJFDN-UHFFFAOYSA-N,CaN2O6,164.09,163.9382266,,126,18,0,0,6,0,9,,,0,0,1,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"FERRIC NITRATE, NONAHYDRATE",007782-61-8,16211566,iron(3+);trinitrate;nonahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.O.O.O.[Fe+3],InChI=1S/Fe.3NO3.9H2O/c;3*2-1(3)4;;;;;;;;;/h;;;;9*1H2/q+3;3*-1;;;;;;;;;,SZQUEWJRBJDHSM-UHFFFAOYSA-N,FeH18N3O18,404,403.993471,,198,18,0,9,18,0,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LITHIUM NITRATE,007790-69-4,10129889,lithium nitrate,[Li+].[N+](=O)([O-])[O-],InChI=1S/Li.NO3/c;2-1(3)4/q+1;-1,IIPYXGDZVMZOAP-UHFFFAOYSA-N,LiNO3,69,69.0038213,,62.9,18,0,0,3,0,5,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM NITRITE,007758-09-0,516910,potassium nitrite,N(=O)[O-].[K+],"InChI=1S/K.HNO2/c;2-1-3/h;(H,2,3)/q+1;/p-1",BXNHTSHTPBPRFX-UHFFFAOYSA-M,KNO2,85.104,84.95660973,,52.5,13,0,0,3,0,4,,537 °C (explodes),1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM PERMANGANATE,007722-64-7,516875,potassium permanganate,[O-][Mn](=O)(=O)=O.[K+],InChI=1S/K.Mn.4O/q+1;;;;;-1,VZJVWSHVAAUDKD-UHFFFAOYSA-N,KMnO4,158.034,157.881408,,74.3,118,0,0,4,0,6,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
SODIUM NITRATE,007631-99-4,24268,sodium nitrate,[N+](=O)([O-])[O-].[Na+],InChI=1S/NO3.Na/c2-1(3)4;/q-1;+1,VWDWKYIASSYTQR-UHFFFAOYSA-N,NNaO3,84.995,84.97758714,,62.9,18,0,0,3,0,5,,"Decomposes 716 °F (USCG, 1999)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM NITRITE,007632-00-0,23668193,sodium nitrite,N(=O)[O-].[Na+],"InChI=1S/HNO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1",LPXPTNMVRIOKMN-UHFFFAOYSA-M,NNaO2,68.995,68.98267252,,52.5,13,0,0,3,0,4,,"Decomposes at 608 °F (NTP, 1992)",1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
THORIUM METAL,007440-29-1,23960,thorium,[Th],InChI=1S/Th,ZSLUVFAKFWKJRC-UHFFFAOYSA-N,Th,232.038,232.03805,,0,0,0,0,0,0,1,,4788 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
BARIUM PEROXIDE,001304-29-6,14773,barium(2+) peroxide,[O-][O-].[Ba+2],InChI=1S/Ba.O2/c;1-2/q+2;-2,ZJRXSAYFZMGQFP-UHFFFAOYSA-N,BaO2,169.33,169.895076,,46.1,2,0,0,2,0,3,,800 °C (decomposes),0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PALLADIUM(II) NITRATE HYDRATE,207596-32-5,16211503,palladium(2+);dinitrate;hydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[Pd+2],InChI=1S/2NO3.H2O.Pd/c2*2-1(3)4;;/h;;1H2;/q2*-1;;+2,DTZRLFJKQHIVQA-UHFFFAOYSA-N,H2N2O7Pd,248.45,247.88968,,127,18,0,1,7,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SCANDIUM NITRATE,013465-60-6,166818,scandium(3+) trinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Sc+3],InChI=1S/3NO3.Sc/c3*2-1(3)4;/q3*-1;+3,DFCYEXJMCFQPPA-UHFFFAOYSA-N,N3O9Sc,230.97,230.919361,,189,18,0,0,9,0,13,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM COBALTINITRITE,013600-98-1,159748,trisodium;cobalt(3+);hexanitrite,N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].[Na+].[Na+].[Na+].[Co+3],"InChI=1S/Co.6HNO2.3Na/c;6*2-1-3;;;/h;6*(H,2,3);;;/q+3;;;;;;;3*+1/p-6",ZEBNDJQGEZXBCR-UHFFFAOYSA-H,CoN6Na3O12,403.94,403.859921,,315,7,0,0,18,0,22,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,1,1,0,1
SODIUM PERRHENATE,013472-33-8,5107658,sodium oxido(trioxo)rhenium,[O-][Re](=O)(=O)=O.[Na+],InChI=1S/Na.4O.Re/q+1;;;;-1;,KMISVFTVBOPTAI-UHFFFAOYSA-N,NaO4Re,273.19,273.92518,,74.3,118,0,0,4,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
RUBIDIUM NITRATE,013126-12-0,25731,rubidium(1+) nitrate,[N+](=O)([O-])[O-].[Rb+],InChI=1S/NO3.Rb/c2-1(3)4;/q-1;+1,RTHYXYOJKHGZJT-UHFFFAOYSA-N,NO3Rb,147.473,146.8996076,,62.9,18,0,0,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ZIRCONYL NITRATE,013826-66-9,83761,bis(nitric acid);oxozirconium,[N+](=O)(O)[O-].[N+](=O)(O)[O-].O=[Zr],"InChI=1S/2HNO3.O.Zr/c2*2-1(3)4;;/h2*(H,2,3,4);;",UJVRJBAUJYZFIX-UHFFFAOYSA-N,H2N2O7Zr,233.25,231.890899,,149,76,0,2,7,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
RUBIDIUM CHROMATE,013446-72-5,61605,dioxido(dioxo)chromium;bis(rubidium(1+)),[O-][Cr](=O)(=O)[O-].[Rb+].[Rb+],InChI=1S/Cr.4O.2Rb/q;;;2*-1;2*+1,WXLJFWCCZKCVSQ-UHFFFAOYSA-N,CrO4Rb2,286.929,285.743743,,80.3,62,0,0,4,0,7,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"CERIUM(III) NITRATE, HEXAHYDRATE",010294-41-4,16211466,cerium(3+);trinitrate;hexahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[Ce+3],InChI=1S/Ce.3NO3.6H2O/c;3*2-1(3)4;;;;;;/h;;;;6*1H2/q+3;3*-1;;;;;;,QQZMWMKOWKGPQY-UHFFFAOYSA-N,CeH12N3O15,434.22,433.93229,,195,18,0,6,15,0,19,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
LUTETIUM NITRATE,010099-67-9,24920,lutetium(3+) trinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Lu+3],InChI=1S/Lu.3NO3/c;3*2-1(3)4/q+3;3*-1,APRNQTOXCXOSHO-UHFFFAOYSA-N,LuN3O9,360.98,360.90423,,189,18,0,0,9,0,13,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
ERBIUM NITRATE PENTAHYDRATE,010031-51-3,53249207,erbium(3+);trinitrate;pentahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.[Er+3],InChI=1S/Er.3NO3.5H2O/c;3*2-1(3)4;;;;;/h;;;;5*1H2/q+3;3*-1;;;;;,LWHHUEHWVBVASY-UHFFFAOYSA-N,ErH10N3O14,443.35,441.946578,,194,18,0,5,14,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
EUROPIUM NITRATE HEXAHYDRATE,010031-53-5,202256,europium(3+);trinitrate;hexahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[Eu+3],InChI=1S/Eu.3NO3.6H2O/c;3*2-1(3)4;;;;;;/h;;;;6*1H2/q+3;3*-1;;;;;;,JVYYYCWKSSSCEI-UHFFFAOYSA-N,EuH12N3O15,446.07,446.94808,,195,18,0,6,15,0,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
YTTERBIUM NITRATE,013768-67-7,61678,ytterbium(3+) trinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Yb+3],InChI=1S/3NO3.Yb/c3*2-1(3)4;/q3*-1;+3,KUBYTSCYMRPPAG-UHFFFAOYSA-N,N3O9Yb,359.06,359.9023211,,189,18,0,0,9,0,13,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM PERRHENATE,010466-65-6,3661560,potassium oxido(trioxo)rhenium,[O-][Re](=O)(=O)=O.[K+],InChI=1S/K.4O.Re/q+1;;;;-1;,QFKRWIFGDGKWLM-UHFFFAOYSA-N,KO4Re,289.3,289.899117,,74.3,118,0,0,4,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IODINE(V) OXIDE,012029-98-0,159402,iodyl iodate,O=I(=O)OI(=O)=O,InChI=1S/I2O5/c3-1(4)7-2(5)6,BIZCJSDBWZTASZ-UHFFFAOYSA-N,I2O5,333.81,333.78352,-0.2,77.5,123,0,0,5,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
MAGNESIUM PERCHLORATE HEXAHYDRATE,013446-19-0,16211969,magnesium;diperchlorate;hexahydrate,O.O.O.O.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Mg+2],"InChI=1S/2ClHO4.Mg.6H2O/c2*2-1(3,4)5;;;;;;;/h2*(H,2,3,4,5);;6*1H2/q;;+2;;;;;;/p-2",MGBDNCBRZIMSDZ-UHFFFAOYSA-L,Cl2H12MgO14,331.3,329.9454521,,155,95,0,6,14,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM PERMANGANATE,010101-50-5,23673458,sodium permanganate,[O-][Mn](=O)(=O)=O.[Na+],InChI=1S/Mn.Na.4O/q;+1;;;;-1,WPWYHBSOACXYBB-UHFFFAOYSA-N,MnNaO4,141.925,141.907471,,74.3,118,0,0,4,0,6,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"ZINC NITRATE, HEXAHYDRATE",010196-18-6,15865313,zinc;dinitrate;hexahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[Zn+2],InChI=1S/2NO3.6H2O.Zn/c2*2-1(3)4;;;;;;;/h;;6*1H2;/q2*-1;;;;;;;+2,JGPSMWXKRPZZRG-UHFFFAOYSA-N,H12N2O12Zn,297.5,295.968166,,132,18,0,6,12,0,15,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
ZIRCONYL NITRATE HYDRATE,014985-18-3,16211674,oxozirconium(2+);dinitrate;hydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O=[Zr+2],InChI=1S/2NO3.H2O.O.Zr/c2*2-1(3)4;;;/h;;1H2;;/q2*-1;;;+2,BGMQNYCWALSARE-UHFFFAOYSA-N,H2N2O8Zr,249.25,247.885814,,144,20,0,1,8,0,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TERBIUM(III) NITRATE PENTAHYDRATE,057584-27-7,17924347,terbium(3+);trinitrate;pentahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.[Tb+3],InChI=1S/3NO3.5H2O.Tb/c3*2-1(3)4;;;;;;/h;;;5*1H2;/q3*-1;;;;;;+3,YWROXJNVUWBEPC-UHFFFAOYSA-N,H10N3O14Tb,435.02,434.94163,,194,18,0,5,14,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SILVER NITRITE,007783-99-5,160904,silver nitrite,N(=O)[O-].[Ag+],"InChI=1S/Ag.HNO2/c;2-1-3/h;(H,2,3)/q+1;/p-1",KKKDGYXNGYJJRX-UHFFFAOYSA-M,AgNO2,153.874,152.89799,,52.5,7,0,0,3,0,4,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
CUPRIC NITRATE HYDRATE,019004-19-4,167780,dicopper;tetranitrate;pentahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.[Cu+2].[Cu+2],InChI=1S/2Cu.4NO3.5H2O/c;;4*2-1(3)4;;;;;/h;;;;;;5*1H2/q2*+2;4*-1;;;;;,IZDJJEMZQZQQQQ-UHFFFAOYSA-N,Cu2H10N4O17,465.19,463.863289,,257,18,0,5,17,0,23,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
AMMONIUM IODATE,013446-09-8,166805,azanium iodate,[NH4+].[O-]I(=O)=O,"InChI=1S/HIO3.H3N/c2-1(3)4;/h(H,2,3,4);1H3",ZRDJERPXCFOFCP-UHFFFAOYSA-N,H4INO3,192.941,192.92359,,58.2,36,0,1,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
BISMUTH NITRATE PENTAHYDRATE,010035-06-0,160911,bismuth;trinitrate;pentahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.[Bi+3],InChI=1S/Bi.3NO3.5H2O/c;3*2-1(3)4;;;;;/h;;;;5*1H2/q+3;3*-1;;;;;,FBXVOTBTGXARNA-UHFFFAOYSA-N,BiH10N3O14,485.07,484.99668,,194,18,0,5,14,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CHROMIC ACID, DICESIUM SALT",013454-78-9,61613,dicesium;dioxido(dioxo)chromium,[O-][Cr](=O)(=O)[O-].[Cs+].[Cs+],InChI=1S/Cr.2Cs.4O/q;2*+1;;;2*-1,BROHICCPQMHYFY-UHFFFAOYSA-N,CrCs2O4,381.805,381.731067,,80.3,62,0,0,4,0,7,,,1,0,0,0,0,1,1,1,0,0,1,0,0,0,0,0,1,1,0,1
BROMONITROMETHANE,000563-70-2,68423,bromo(nitro)methane,C([N+](=O)[O-])Br,InChI=1S/CH2BrNO2/c2-1-3(4)5/h1H2,DNPRVXJGNANVCZ-UHFFFAOYSA-N,CH2BrNO2,139.94,138.92689,0.9,45.8,39,0,0,2,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COPPER(II) PERCHLORATE HEXAHYDRATE,010294-46-9,12846356,copper;diperchlorate;hexahydrate,O.O.O.O.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Cu+2],"InChI=1S/2ClHO4.Cu.6H2O/c2*2-1(3,4)5;;;;;;;/h2*(H,2,3,4,5);;6*1H2/q;;+2;;;;;;/p-2",NHELIHXBJRANPL-UHFFFAOYSA-L,Cl2CuH12O14,370.54,368.890008,,155,95,0,6,14,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAMETHYLAMMONIUM PERCHLORATE,002537-36-2,17337,tetramethylazanium perchlorate,C[N+](C)(C)C.[O-]Cl(=O)(=O)=O,"InChI=1S/C4H12N.ClHO4/c1-5(2,3)4;2-1(3,4)5/h1-4H3;(H,2,3,4,5)/q+1;/p-1",ZCWKIFAQRXNZCH-UHFFFAOYSA-M,C4H12ClNO4,173.59,173.0454856,,74.3,115,0,0,4,0,10,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
"PERCHLORIC ACID, ZINC SALT, HEXAHYDRATE",010025-64-6,202253,zinc;diperchlorate;hexahydrate,O.O.O.O.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Zn+2],"InChI=1S/2ClHO4.6H2O.Zn/c2*2-1(3,4)5;;;;;;;/h2*(H,2,3,4,5);6*1H2;/q;;;;;;;;+2/p-2",PADPILQDYPIHQQ-UHFFFAOYSA-L,Cl2H12O14Zn,372.4,369.889552,,155,95,0,6,14,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
RUTHENIUM(IV) OXIDE,012036-10-1,82848,dioxoruthenium,O=[Ru]=O,InChI=1S/2O.Ru,WOCIAKWEIIZHES-UHFFFAOYSA-N,O2Ru,133.1,133.89417,,34.1,18,0,0,2,0,3,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
PRASEODYMIUM PERCHLORATE,013498-07-2,13783608,praseodymium(3+) triperchlorate,[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Pr+3],"InChI=1S/3ClHO4.Pr/c3*2-1(3,4)5;/h3*(H,2,3,4,5);/q;;;+3/p-3",OPAITELCMCAYEB-UHFFFAOYSA-K,Cl3O12Pr,439.25,437.75319,,223,95,0,0,12,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMMONIUM NITRATE-15N,031432-46-9,53393587,,N.[15N+](=O)(O)[O-],"InChI=1S/HNO3.H3N/c2-1(3)4;/h(H,2,3,4);1H3/i1+1;",PRORZGWHZXZQMV-YTBWXGASSA-N,H4N2O3,81.037,81.01922689,,67.1,24,0,2,4,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMMONIUM-15N NITRATE,031432-48-1,71309194,azane;nitric acid,[15NH3].[N+](=O)(O)[O-],"InChI=1S/HNO3.H3N/c2-1(3)4;/h(H,2,3,4);1H3/i;1+1",PRORZGWHZXZQMV-IEOVAKBOSA-N,H4N2O3,81.037,81.01922689,,67.1,24,0,2,4,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BARIUM IODATE,010567-69-8,165892,barium(2+) diiodate,[O-]I(=O)=O.[O-]I(=O)=O.[Ba+2],"InChI=1S/Ba.2HIO3/c;2*2-1(3)4/h;2*(H,2,3,4)/q+2;;/p-2",GASILTKHXWGKMG-UHFFFAOYSA-L,BaI2O6,487.13,487.68368,,114,36,0,0,6,0,9,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PLATINUM(IV) OXIDE, HYDRATE",052785-06-5,11139377,dioxoplatinum;hydrate,O.O=[Pt]=O,InChI=1S/H2O.2O.Pt/h1H2;;;,SPGAMGILENUIOF-UHFFFAOYSA-N,H2O3Pt,245.1,244.965188,,35.1,18,0,1,3,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
THULIUM(III) NITRATE PENTAHYDRATE,036548-87-5,71311313,thulium(3+);trinitrate;pentahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.[Tm+3],InChI=1S/3NO3.5H2O.Tm/c3*2-1(3)4;;;;;;/h;;;5*1H2;/q3*-1;;;;;;+3,PEYIBPJKEYRLDB-UHFFFAOYSA-N,H10N3O14Tm,445.03,444.950496,,194,18,0,5,14,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
YTTERBIUM(III) NITRATE PENTAHYDRATE,035725-34-9,16211525,ytterbium(3+);trinitrate;pentahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.[Yb+3],InChI=1S/3NO3.5H2O.Yb/c3*2-1(3)4;;;;;;/h;;;5*1H2;/q3*-1;;;;;;+3,XIOPWXFTXDPBEY-UHFFFAOYSA-N,H10N3O14Yb,449.14,449.9551445,,194,18,0,5,14,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRABUTYLAMMONIUM PERCHLORATE,001923-70-2,74723,tetrabutylazanium perchlorate,CCCC[N+](CCCC)(CCCC)CCCC.[O-]Cl(=O)(=O)=O,"InChI=1S/C16H36N.ClHO4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)5/h5-16H2,1-4H3;(H,2,3,4,5)/q+1;/p-1",KBLZDCFTQSIIOH-UHFFFAOYSA-M,C16H36ClNO4,341.9,341.2332863,,74.3,212,0,0,4,12,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
RUBIDIUM PERCHLORATE,013510-42-4,23673707,rubidium(1+) perchlorate,[O-]Cl(=O)(=O)=O.[Rb+],"InChI=1S/ClHO4.Rb/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",NQYGGOOZLKJKPS-UHFFFAOYSA-M,ClO4Rb,184.92,183.8603009,,74.3,118,0,0,4,0,6,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GUANIDINE NITRATE,000506-93-4,10481,guanidine;nitric acid,C(=N)(N)N.[N+](=O)(O)[O-],"InChI=1S/CH5N3.HNO3/c2*2-1(3)4/h(H5,2,3,4);(H,2,3,4)",CNUNWZZSUJPAHX-UHFFFAOYSA-N,CH6N4O3,122.08,122.0439901,,142,51,0,4,4,0,8,,Decomposes at boiling point,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CESIUM DICHROMATE,013530-67-1,3084158,dicesium;oxido-(oxido(dioxo)chromio)oxy-dioxochromium,[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].[Cs+].[Cs+],InChI=1S/2Cr.2Cs.7O/q;;2*+1;;;;;;2*-1,AQWIYQPYXQGBQU-UHFFFAOYSA-N,Cr2Cs2O7,481.8,481.656316,,124,194,0,0,7,0,11,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,1,0,0
TERBIUM NITRATE HEXAHYDRATE,013451-19-9,202879,terbium(3+);trinitrate;hexahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[Tb+3],InChI=1S/3NO3.6H2O.Tb/c3*2-1(3)4;;;;;;;/h;;;6*1H2;/q3*-1;;;;;;;+3,UTCARTSNNKGRTD-UHFFFAOYSA-N,H12N3O15Tb,453.03,452.9522,,195,18,0,6,15,0,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
THALLIUM(III) NITRATE TRIHYDRATE,013453-38-8,3084145,thallium(3+);trinitrate;hexahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[Tl+3],InChI=1S/3NO3.6H2O.Tl/c3*2-1(3)4;;;;;;;/h;;;6*1H2;/q3*-1;;;;;;;+3,TWTZVACKNJEUQF-UHFFFAOYSA-N,H12N3O15Tl,498.49,499.00127,,195,18,0,6,15,0,19,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
NICKEL (II) PERCHLORATE HEXAHYDRATE,013520-61-1,15769463,nickel(2+);diperchlorate;hexahydrate,O.O.O.O.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ni+2],"InChI=1S/2ClHO4.Ni.6H2O/c2*2-1(3,4)5;;;;;;;/h2*(H,2,3,4,5);;6*1H2/q;;+2;;;;;;/p-2",WHGYCGOFTBFDLW-UHFFFAOYSA-L,Cl2H12NiO14,365.68,363.895752,,155,95,0,6,14,0,17,,,1,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,1,1,1,0
MERCURY (II) PERCHLORATE TRIHYDRATE,073491-34-6,53471339,mercury(2+);diperchlorate;trihydrate,O.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Hg+2],"InChI=1S/2ClHO4.Hg.3H2O/c2*2-1(3,4)5;;;;/h2*(H,2,3,4,5);;3*1H2/q;;+2;;;/p-2",DFJWPGPUWHLJIJ-UHFFFAOYSA-L,Cl2H6HgO11,453.54,453.89936,,152,95,0,3,11,0,14,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
COBALT (II) PERCHLORATE HEXAHYDRATE,013478-33-6,156614046,,[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Co],"InChI=1S/2ClHO4.Co/c2*2-1(3,4)5;/h2*(H,2,3,4,5);/p-2",ODWQRYQLVGSPGU-UHFFFAOYSA-L,Cl2CoO8-2,257.83,256.830216,,149,95,-2,0,8,0,11,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,1,0,0
ALUMINUM NITRATE,025838-59-9,22078336,aluminum;trinitrate;hydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[Al+3],InChI=1S/Al.3NO3.H2O/c;3*2-1(3)4;/h;;;;1H2/q+3;3*-1;,ZZCONUBOESKGOK-UHFFFAOYSA-N,AlH2N3O10,231.01,230.9555567,,190,18,0,1,10,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
GALLIUM PERCHLORATE,017835-81-3,25021700,gallium triperchlorate,[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ga+3],"InChI=1S/3ClHO4.Ga/c3*2-1(3,4)5;/h3*(H,2,3,4,5);/q;;;+3/p-3",DKRHELWBVMBPOQ-UHFFFAOYSA-K,Cl3GaO12,368.07,365.77111,,223,95,0,0,12,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM NITRATE-15N,031432-45-8,11446290,sodium dioxido(oxo)(15N)azanium,[15N+](=O)([O-])[O-].[Na+],InChI=1S/NO3.Na/c2-1(3)4;/q-1;+1/i1+1;,VWDWKYIASSYTQR-YTBWXGASSA-N,NNaO3,85.988,85.97462204,,62.9,18,0,0,3,0,5,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LITHIUM IODATE,013765-03-2,23687747,lithium iodate,[Li+].[O-]I(=O)=O,"InChI=1S/HIO3.Li/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",FZAXZVHFYFGNBX-UHFFFAOYSA-M,ILiO3,181.9,181.90522,,57.2,49,0,0,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
TETRAHEXYLAMMONIUM PERCHLORATE,004656-81-9,78388,tetrahexylazanium perchlorate,CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[O-]Cl(=O)(=O)=O,"InChI=1S/C24H52N.ClHO4/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;2-1(3,4)5/h5-24H2,1-4H3;(H,2,3,4,5)/q+1;/p-1",RLCKPGXHGKSGOS-UHFFFAOYSA-M,C24H52ClNO4,454.1,453.3584868,,74.3,291,0,0,4,20,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM NITRITE-15N,068378-96-1,23662135,,[15N](=O)[O-].[Na+],"InChI=1S/HNO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1/i1+1;",LPXPTNMVRIOKMN-YTBWXGASSA-M,NNaO2,69.989,69.97970742,,52.5,13,0,0,3,0,4,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CALCIUM PERCHLORATE TETRAHYDRATE,015627-86-8,16212580,,O.OCl(=O)(=O)=O.[Ca],"InChI=1S/Ca.ClHO4.H2O/c;2-1(3,4)5;/h;(H,2,3,4,5);1H2",OOAKCMYXKUVCJJ-UHFFFAOYSA-N,CaClH3O5,158.55,157.9294917,,72.4,114,0,2,5,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"COPPER(II) NITRATE, HYDRATE",013778-31-9,15303652,copper;dinitrate;hydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[Cu+2],InChI=1S/Cu.2NO3.H2O/c;2*2-1(3)4;/h;;;1H2/q+2;2*-1;,VMKYLARTXWTBPI-UHFFFAOYSA-N,CuH2N2O7,205.57,204.915798,,127,18,0,1,7,0,10,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM MANGANATE(VI),010294-64-1,160931,dipotassium;dioxido(dioxo)manganese,[O-][Mn](=O)(=O)[O-].[K+].[K+],InChI=1S/2K.Mn.4O/q2*+1;;;;2*-1,XKYFHUXZPRFUTH-UHFFFAOYSA-N,K2MnO4,197.132,196.845114,,80.3,62,0,0,4,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CAMBRIDGE ISOTOPE LABORATORIES NITRIC ACID (D, 99%)",013587-52-5,12025424,deuterio nitrate,[2H]O[N+](=O)[O-],"InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)/i/hD",GRYLNZFGIOXLOG-DYCDLGHISA-N,HNO3,64.019,64.00191964,0.2,66.1,24,0,1,3,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SILVER (II) FLUORIDE,007783-95-1,82221,difluorosilver,F[Ag]F,InChI=1S/Ag.2FH/h;2*1H/q+2;;/p-2,KWVVTSALYXIJSS-UHFFFAOYSA-L,AgF2,145.865,144.9019,,0,2,0,0,2,0,3,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
YTTRIUM(III) NITRATE TETRAHYDRATE,013773-69-8,16211569,yttrium(3+);trinitrate;tetrahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.[Y+3],InChI=1S/3NO3.4H2O.Y/c3*2-1(3)4;;;;;/h;;;4*1H2;/q3*-1;;;;;+3,XRKAJAPEZSHSLG-UHFFFAOYSA-N,H8N3O13Y,346.98,346.91155,,193,18,0,4,13,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ERBIUM (III) NITRATE,010168-80-6,159265,erbium(3+) trinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Er+3],InChI=1S/Er.3NO3/c;3*2-1(3)4/q+3;3*-1,YBYGDBANBWOYIF-UHFFFAOYSA-N,ErN3O9,353.27,351.893755,,189,18,0,0,9,0,13,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"HYDRAZINECARBOXIMIDAMIDE, MONONITRATE",010308-82-4,165859,2-aminoguanidine;nitric acid,C(=NN)(N)N.[N+](=O)(O)[O-],"InChI=1S/CH6N4.HNO3/c2-1(3)5-4;2-1(3)4/h4H2,(H4,2,3,5);(H,2,3,4)",PMGFHEJUUBDCLU-UHFFFAOYSA-N,CH7N5O3,137.1,137.0548891,,156,66,0,4,5,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MAGNESIUM NITRATE,010377-60-3,25212,magnesium dinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Mg+2],InChI=1S/Mg.2NO3/c;2*2-1(3)4/q+2;2*-1,YIXJRHPUWRPCBB-UHFFFAOYSA-N,MgN2O6,148.32,147.9606774,,126,18,0,0,6,0,9,,"Decomposes at 626 °F (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PALLADIUM DIHYDROXIDE,012135-22-7,9942167,palladium(2+) dihydroxide,[OH-].[OH-].[Pd+2],InChI=1S/2H2O.Pd/h2*1H2;/q;;+2/p-2,NXJCBFBQEVOTOW-UHFFFAOYSA-L,H2O2Pd,140.43,139.90896,,2,0,0,2,2,0,3,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
BERYLLIUM NITRATE,013597-99-4,26126,beryllium dinitrate,[Be+2].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-],InChI=1S/Be.2NO3/c;2*2-1(3)4/q+2;2*-1,RFVVBBUVWAIIBT-UHFFFAOYSA-N,BeN2O6,133.02,132.9878188,,126,18,0,0,6,0,9,,,0,0,1,1,0,1,1,1,0,0,0,0,0,0,1,0,1,1,1,1
ZIRCONIUM NITRATE,013746-89-9,26251,zirconium(4+) tetranitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Zr+4],InChI=1S/4NO3.Zr/c4*2-1(3)4;/q4*-1;+4,OERNJTNJEZOPIA-UHFFFAOYSA-N,N4O12Zr,339.24,337.85597,,252,18,0,0,12,0,17,,Decomposes at 100 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PERCHLORIC ACID, LANTHANUM(3+) SALT",014017-46-0,166977,lanthanum(3+) triperchlorate,[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[La+3],"InChI=1S/3ClHO4.La/c3*2-1(3,4)5;/h3*(H,2,3,4,5);/q;;;+3/p-3",MYGVQOYLIMJKKU-UHFFFAOYSA-K,Cl3LaO12,437.25,435.751896,,223,95,0,0,12,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
NEODYMIUM(III) NITRATE HYDRATE,013746-96-8,71311426,neodymium(3+);trinitrate;hydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[Nd+3],InChI=1S/3NO3.Nd.H2O/c3*2-1(3)4;;/h;;;;1H2/q3*-1;+3;,GZIAUVGSMHERLN-UHFFFAOYSA-N,H2N3NdO10,348.27,345.88175,,190,18,0,1,10,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LUTETIUM(III) NITRATE HYDRATE,100641-16-5,16212852,lutetium(3+);trinitrate;hydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[Lu+3],InChI=1S/Lu.3NO3.H2O/c;3*2-1(3)4;/h;;;;1H2/q+3;3*-1;,XZBUOUZGWUJJES-UHFFFAOYSA-N,H2LuN3O10,379,378.9148,,190,18,0,1,10,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MANGANESE(II) PERCHLORATE HYDRATE,698999-57-4,53470804,manganese(2+);diperchlorate;hydrate,O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Mn+2],"InChI=1S/2ClHO4.Mn.H2O/c2*2-1(3,4)5;;/h2*(H,2,3,4,5);;1H2/q;;+2;/p-2",VAZHKDVMMUBWIG-UHFFFAOYSA-L,Cl2H2MnO9,271.85,270.84563,,150,95,0,1,9,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TETRABUTYLAMMONIUM, SALT WITH CHROMIC ACID (2:1)",056660-19-6,6453374,dioxido(dioxo)chromium;bis(tetrabutylazanium),CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.[O-][Cr](=O)(=O)[O-],"InChI=1S/2C16H36N.Cr.4O/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;/h2*5-16H2,1-4H3;;;;;/q2*+1;;;;2*-1",ZWQUOQAMKSRLDH-UHFFFAOYSA-N,C32H72CrN2O4,600.9,600.489713,,80.3,178,0,0,4,24,39,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
MERCURY(II) PERCHLORATE HYDRATE,304656-34-6,57376986,mercury(2+);diperchlorate;hydrate,O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Hg+2],"InChI=1S/2ClHO4.Hg.H2O/c2*2-1(3,4)5;;/h2*(H,2,3,4,5);;1H2/q;;+2;/p-2",OOYSCVKOXPZTGW-UHFFFAOYSA-L,Cl2H2HgO9,417.51,417.878231,,150,95,0,1,9,0,12,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
LITHIUM PERIODATE,021111-84-2,23711816,lithium periodate,[Li+].[O-]I(=O)(=O)=O,"InChI=1S/HIO4.Li/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",SYWXNZXEJFSLEU-UHFFFAOYSA-M,ILiO4,197.9,197.90013,,74.3,118,0,0,4,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
INDIUM(III) PERCHLORATE OCTAHYDRATE,013465-15-1,91886280,indium(3+);triperchlorate;octahydrate,O.O.O.O.O.O.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[In+3],"InChI=1S/3ClHO4.In.8H2O/c3*2-1(3,4)5;;;;;;;;;/h3*(H,2,3,4,5);;8*1H2/q;;;+3;;;;;;;;/p-3",XTGOEFBXGBSXJW-UHFFFAOYSA-K,Cl3H16InO20,557.3,555.83393,,231,95,0,8,20,0,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"AMMONIUM NITRATE (15N2, 98%+)",043086-60-8,71309570,,[15NH3].[15N+](=O)(O)[O-],"InChI=1S/HNO3.H3N/c2-1(3)4;/h(H,2,3,4);1H3/i2*1+1",PRORZGWHZXZQMV-NPMJFZSBSA-N,H4N2O3,82.03,82.01626178,,67.1,24,0,2,4,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DYSPROSIUM(III) NITRATE HYDRATE,100641-13-2,57346095,dysprosium(3+);trinitrate;hydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[Dy+3],InChI=1S/Dy.3NO3.H2O/c;3*2-1(3)4;/h;;;;1H2/q+3;3*-1;,DSEBQRTVZFLVND-UHFFFAOYSA-N,DyH2N3O10,366.53,367.903199,,190,18,0,1,10,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
STRONTIUM PERCHLORATE TRIHYDRATE,015650-09-6,71435311,strontium;diperchlorate;trihydrate,O.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Sr+2],"InChI=1S/2ClHO4.3H2O.Sr/c2*2-1(3,4)5;;;;/h2*(H,2,3,4,5);3*1H2;/q;;;;;+2/p-2",VRRVWIQWZWFYDJ-UHFFFAOYSA-L,Cl2H6O11Sr,340.56,339.8343286,,152,95,0,3,11,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANAMINIUM, N,N,N-TRIETHYL-, NITRATE",001941-26-0,74744,tetraethylazanium nitrate,CC[N+](CC)(CC)CC.[N+](=O)([O-])[O-],"InChI=1S/C8H20N.NO3/c1-5-9(6-2,7-3)8-4;2-1(3)4/h5-8H2,1-4H3;/q+1;-1",JTJKNAJRGLQKDZ-UHFFFAOYSA-N,C8H20N2O3,192.26,192.1473925,,62.9,66,0,0,3,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PERCHLORIC ACID, MERCURY(2+) SALT",007616-83-3,3080641,mercury(2+) diperchlorate,[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Hg+2],"InChI=1S/2ClHO4.Hg/c2*2-1(3,4)5;/h2*(H,2,3,4,5);/q;;+2/p-2",KBYOBAICCHNMNJ-UHFFFAOYSA-L,Cl2HgO8,399.49,399.867666,,149,95,0,0,8,0,11,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"MANGANIC ACID (H2MNO4), BARIUM SALT (1:1)",007787-35-1,3084030,barium(2+);dioxido(dioxo)manganese,[O-][Mn](=O)(=O)[O-].[Ba+2],InChI=1S/Ba.Mn.4O/q+2;;;;2*-1,ZZCNKSMCIZCVDR-UHFFFAOYSA-N,BaMnO4,256.26,256.822949,,80.3,62,0,0,4,0,6,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM HYPOCHLORITE [CAS NO. 010022-70-5],010022-70-5,23700086,sodium;hypochlorite;pentahydrate,O.O.O.O.O.[O-]Cl.[Na+],InChI=1S/ClO.Na.5H2O/c1-2;;;;;;/h;;5*1H2/q-1;+1;;;;;,FHKLOBNGYGFRSF-UHFFFAOYSA-N,ClH10NaO6,164.52,164.00636,,28.1,4,0,5,6,0,8,,,1,0,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,0
"NITRIC ACID, TERBIUM(3+) SALT",010043-27-3,24853,terbium(3+) trinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Tb+3],InChI=1S/3NO3.Tb/c3*2-1(3)4;/q3*-1;+3,YJVUGDIORBKPLC-UHFFFAOYSA-N,N3O9Tb,344.94,344.88881,,189,18,0,0,9,0,13,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
LANTHANUM NITRATE,010099-59-9,25122,lanthanum(3+) trinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[La+3],InChI=1S/La.3NO3/c;3*2-1(3)4/q+3;3*-1,FYDKNKUEBJQCCN-UHFFFAOYSA-N,LaN3O9,324.92,324.869817,,189,18,0,0,9,0,13,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
GADOLINIUM NITRATE SOLID,010168-81-7,159266,gadolinium(3+) trinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Gd+3],InChI=1S/Gd.3NO3/c;3*2-1(3)4/q+3;3*-1,MWFSXYMZCVAQCC-UHFFFAOYSA-N,GdN3O9,343.26,343.88756,,189,18,0,0,9,0,13,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"NITRIC ACID, HOLMIUM(3+) SALT",010168-82-8,25024,holmium(3+) trinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Ho+3],InChI=1S/Ho.3NO3/c;3*2-1(3)4/q+3;3*-1,WDVGLADRSBQDDY-UHFFFAOYSA-N,HoN3O9,350.95,350.893783,,189,18,0,0,9,0,13,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"NITRIC ACID, YTTRIUM(3+) SALT",010361-93-0,159283,yttrium(3+) trinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Y+3],InChI=1S/3NO3.Y/c3*2-1(3)4;/q3*-1;+3,BXJPTTGFESFXJU-UHFFFAOYSA-N,N3O9Y,274.92,274.869292,,189,18,0,0,9,0,13,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"NITRIC ACID, CERIUM(4+) SALT",013093-17-9,166767,cerium(4+) tetranitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Ce+4],InChI=1S/Ce.4NO3/c;4*2-1(3)4/q+4;4*-1,LQCIDLXXSFUYSA-UHFFFAOYSA-N,CeN4O12,388.14,387.85672,,252,18,0,0,12,0,17,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"IODIC ACID (HIO3), RUBIDIUM SALT",013446-76-9,23673706,rubidium(1+) iodate,[O-]I(=O)=O.[Rb+],"InChI=1S/HIO3.Rb/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",CIOUAZZDKTZOPK-UHFFFAOYSA-M,IO3Rb,260.37,259.80101,,57.2,49,0,0,3,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"PERCHLORIC ACID, COBALT(2+) SALT",013455-31-7,26064,cobalt(2+) diperchlorate,[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Co+2],"InChI=1S/2ClHO4.Co/c2*2-1(3,4)5;/h2*(H,2,3,4,5);/q;;+2/p-2",BSUSEPIPTZNHMN-UHFFFAOYSA-L,Cl2CoO8,257.83,256.830216,,149,95,0,0,8,0,11,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PERCHLORIC ACID, CHROMIUM(3+) SALT",013537-21-8,61644,chromium(3+) triperchlorate,[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Cr+3],"InChI=1S/3ClHO4.Cr/c3*2-1(3,4)5;/h3*(H,2,3,4,5);/q;;;+3/p-3",ZKJMJQVGBCLHFL-UHFFFAOYSA-K,Cl3CrO12,350.34,348.786038,,223,95,0,0,12,0,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"PERCHLORIC ACID, IRON(3+) SALT",013537-24-1,159679,iron(3+) triperchlorate,[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+3],"InChI=1S/3ClHO4.Fe/c3*2-1(3,4)5;/h3*(H,2,3,4,5);/q;;;+3/p-3",LHOWRPZTCLUDOI-UHFFFAOYSA-K,Cl3FeO12,354.19,352.780469,,223,95,0,0,12,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PERCHLORIC ACID, ZINC SALT",013637-61-1,10199167,zinc diperchlorate,[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Zn+2],"InChI=1S/2ClHO4.Zn/c2*2-1(3,4)5;/h2*(H,2,3,4,5);/q;;+2/p-2",RXBXBWBHKPGHIB-UHFFFAOYSA-L,Cl2O8Zn,264.3,261.826164,,149,95,0,0,8,0,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
Indium-nitrate-,013770-61-1,54603292,,[N+](=O)(O)[O-].[In],"InChI=1S/In.HNO3/c;2-1(3)4/h;(H,2,3,4)",SRNMFPSMASDEKJ-UHFFFAOYSA-N,HInNO3,177.831,177.8995217,,66.1,24,0,1,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PERCHLORIC ACID, IRON(2+) SALT",013933-23-8,166947,iron(2+) diperchlorate,[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+2],"InChI=1S/2ClHO4.Fe/c2*2-1(3,4)5;/h2*(H,2,3,4,5);/q;;+2/p-2",CKFMJXZQTNRXGX-UHFFFAOYSA-L,Cl2FeO8,254.74,253.831958,,149,95,0,0,8,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PROPANAMINIUM, N,N,N-TRIPROPYL-, PERCHLORATE",015780-02-6,85095,tetrapropylazanium perchlorate,CCC[N+](CCC)(CCC)CCC.[O-]Cl(=O)(=O)=O,"InChI=1S/C12H28N.ClHO4/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1(3,4)5/h5-12H2,1-4H3;(H,2,3,4,5)/q+1;/p-1",LJDKWXHIGFOFDB-UHFFFAOYSA-M,C12H28ClNO4,285.81,285.1706861,,74.3,176,0,0,4,8,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OSMATE (OSO42-), DIPOTASSIUM, (T-4)-",019718-36-6,6100394,dipotassium;dioxido(dioxo)osmium,[O-][Os](=O)(=O)[O-].[K+].[K+],InChI=1S/2K.4O.Os/q2*+1;;;2*-1;,JMVOCSLPMGHXPG-UHFFFAOYSA-N,K2O4Os,332.4,333.86855,,80.3,62,0,0,4,0,7,,,0,1,1,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
LITHIUM HYPOBROMITE,013824-95-8,44147536,lithium hypobromite,[Li+].[O-]Br,InChI=1S/BrO.Li/c1-2;/q-1;+1,JOUZTPYNXDURHJ-UHFFFAOYSA-N,BrLiO,102.9,101.92926,,23.1,4,0,0,1,0,3,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
NITRIC-15N ACID,043625-06-5,10313048,,[15N+](=O)(O)[O-],"InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)/i1+1",GRYLNZFGIOXLOG-OUBTZVSYSA-N,HNO3,64.006,63.99267779,0.2,66.1,24,0,1,3,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CERIUM(IV) AMMONIUM NITRATE,010139-51-2,180504,diazanium;cerium(4+);hexanitrate,[NH4+].[NH4+].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Ce+4],InChI=1S/Ce.6NO3.2H3N/c;6*2-1(3)4;;/h;;;;;;;2*1H3/q+4;6*-1;;/p+2,XMPZTFVPEKAKFH-UHFFFAOYSA-P,CeH8N8O18,548.22,547.9011,,379,18,0,2,18,0,27,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
MOLYBDOPHOSPHORIC ACID,012026-57-2,11251951,phosphoric acid;dodecakis(trioxomolybdenum),OP(=O)(O)O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O,"InChI=1S/12Mo.H3O4P.36O/c;;;;;;;;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;(H3,1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;",DHRLEVQXOMLTIM-UHFFFAOYSA-N,H3Mo12O40P,1825.4,1823.66324,,692,112,0,3,40,0,53,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SCANDIUM(3+) PERCHLORATE,014066-05-8,11013318,scandium(3+) triperchlorate,[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Sc+3],"InChI=1S/3ClHO4.Sc/c3*2-1(3,4)5;/h3*(H,2,3,4,5);/q;;;+3/p-3",UBVKRMCXDCYZQK-UHFFFAOYSA-K,Cl3O12Sc,343.3,341.801441,,223,95,0,0,12,0,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
VANADIUM NITRATE,,10197655,vanadium nitrate,[N+](=O)([O-])[O-].[V],InChI=1S/NO3.V/c2-1(3)4;/q-1;,UNDBACGBNSTMHX-UHFFFAOYSA-N,NO3V-,112.947,112.931776,,62.9,18,-1,0,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM NITRATE-15N,057654-83-8,10909504,potassium dioxido(oxo)(15N)azanium,[15N+](=O)([O-])[O-].[K+],InChI=1S/K.NO3/c;2-1(3)4/q+1;-1/i;1+1,FGIUAXJPYTZDNR-IEOVAKBOSA-N,KNO3,102.097,101.9485592,,62.9,18,0,0,3,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PALLADIUM OXIDE (PDO2),012036-04-3,82845,dioxopalladium,O=[Pd]=O,InChI=1S/2O.Pd,OHQLYLRYQSZVLV-UHFFFAOYSA-N,O2Pd,138.42,137.89331,,34.1,18,0,0,2,0,3,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CALCIUM HYPOCHLORITE,007778-54-3,24504,calcium dihypochlorite,[O-]Cl.[O-]Cl.[Ca+2],InChI=1S/Ca.2ClO/c;2*1-2/q+2;2*-1,ZKQDCIXGCQPQNV-UHFFFAOYSA-N,CaCl2O2,142.98,141.8901255,,46.1,2,0,0,2,0,5,,Decomposes at 100 °C,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
NITRIC ACID (>40-<86%),007697-37-2,944,nitric acid,[N+](=O)(O)[O-],"InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)",GRYLNZFGIOXLOG-UHFFFAOYSA-N,HNO3,63.013,62.99564289,0.2,66.1,24,0,1,3,0,4,,"181 °F at 760 mmHg (NIOSH, 2024)",0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SILVER NITRATE,007761-88-8,24470,silver nitrate,[N+](=O)([O-])[O-].[Ag+],InChI=1S/Ag.NO3/c;2-1(3)4/q+1;-1,SQGYOTSLMSWVJD-UHFFFAOYSA-N,AgNO3,169.873,168.89291,,62.9,18,0,0,3,0,5,,"824 °F at 760 mmHg (Decomposes) (NTP, 1992)",1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM BICHROMATE,007778-50-9,24502,dipotassium;oxido-(oxido(dioxo)chromio)oxy-dioxochromium,[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].[K+].[K+],InChI=1S/2Cr.2K.7O/q;;2*+1;;;;;;2*-1,KMUONIBRACKNSN-UHFFFAOYSA-N,Cr2K2O7,294.18,293.772825,,124,194,0,0,7,0,11,,"Decomposes at 932 °F (NTP, 1992)",1,1,1,1,0,1,1,0,0,0,1,0,0,1,1,0,1,1,1,0
AMMONIUM CHROMATE,007788-98-9,24595,diazanium;dioxido(dioxo)chromium,[NH4+].[NH4+].[O-][Cr](=O)(=O)[O-],InChI=1S/Cr.2H3N.4O/h;2*1H3;;;;/q;;;;;2*-1/p+2,MFFLHUNPSHBKRG-UHFFFAOYSA-P,CrH8N2O4,152.07,151.988911,,82.3,62,0,2,4,0,7,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,1,1,0,0
"COPPER(II) NITRATE, TRIHYDRATE",010031-43-3,9837674,copper;dinitrate;trihydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.[Cu+2],InChI=1S/Cu.2NO3.3H2O/c;2*2-1(3)4;;;/h;;;3*1H2/q+2;2*-1;;;,SXTLQDJHRPXDSB-UHFFFAOYSA-N,CuH6N2O9,241.6,240.936927,,129,18,0,3,9,0,12,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
LEAD NITRATE,010099-74-8,24924,lead(2+) dinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Pb+2],InChI=1S/2NO3.Pb/c2*2-1(3)4;/q2*-1;+2,RLJMLMKIBZAXJO-UHFFFAOYSA-N,N2O6Pb,331,331.95229,,126,18,0,0,6,0,9,,,1,0,1,1,0,1,1,1,0,0,0,0,0,1,0,0,0,1,1,0
IODIC ACID,007782-68-5,24345,iodic acid,OI(=O)=O,"InChI=1S/HIO3/c2-1(3)4/h(H,2,3,4)",ICIWUVCWSCSTAQ-UHFFFAOYSA-N,HIO3,175.911,175.89704,-0.3,54.4,46,0,1,3,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM IODATE,007681-55-2,23675764,sodium iodate,[O-]I(=O)=O.[Na+],"InChI=1S/HIO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",WTCBONOLBHEDIL-UHFFFAOYSA-M,INaO3,197.892,197.87899,,57.2,49,0,0,3,0,5,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
MANGANESE(II) NITRATE HEXAHYDRATE,017141-63-8,17814495,manganese(2+);dinitrate;hexahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[Mn+2],InChI=1S/Mn.2NO3.6H2O/c;2*2-1(3)4;;;;;;/h;;;6*1H2/q+2;2*-1;;;;;;,YMKHJSXMVZVZNU-UHFFFAOYSA-N,H12MnN2O12,287.04,286.977067,,132,18,0,6,12,0,15,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LITHIUM HYPOCHLORITE,013840-33-0,23665767,lithium hypochlorite,[Li+].[O-]Cl,InChI=1S/ClO.Li/c1-2;/q-1;+1,LWXVCCOAQYNXNX-UHFFFAOYSA-N,ClLiO,58.4,57.9797707,,23.1,4,0,0,1,0,3,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
STRONTIUM PEROXIDE,001314-18-7,14807,strontium peroxide,[O-][O-].[Sr+2],InChI=1S/O2.Sr/c1-2;/q-2;+2,UHCGLDSRFKGERO-UHFFFAOYSA-N,O2Sr,119.62,119.8954415,,46.1,2,0,0,2,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM PERCARBONATE,015630-89-4,159762,tetrasodium;hydrogen peroxide;dicarbonate,C(=O)([O-])[O-].C(=O)([O-])[O-].OO.OO.OO.[Na+].[Na+].[Na+].[Na+],"InChI=1S/2CH2O3.4Na.3H2O2/c2*2-1(3)4;;;;;3*1-2/h2*(H2,2,3,4);;;;;3*1-2H/q;;4*+1;;;/p-4",MSLRPWGRFCKNIZ-UHFFFAOYSA-J,C2H6Na4O12,314.02,313.9450028,,248,18,0,6,12,0,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
MANGANESE (II) NITRATE TETRAHYDRATE,010377-66-9,61511,manganese(2+) dinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Mn+2],InChI=1S/Mn.2NO3/c;2*2-1(3)4/q+2;2*-1,MIVBAHRSNUNMPP-UHFFFAOYSA-N,MnN2O6,178.95,178.913679,,126,18,0,0,6,0,9,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
CALCIUM IODATE,007789-80-2,24619,calcium diiodate,[O-]I(=O)=O.[O-]I(=O)=O.[Ca+2],"InChI=1S/Ca.2HIO3/c;2*2-1(3)4/h;2*(H,2,3,4)/q+2;;/p-2",UHWJJLGTKIWIJO-UHFFFAOYSA-L,CaI2O6,389.88,389.74102,,114,36,0,0,6,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"IODIC ACID (HIO3), MAGNESIUM SALT",007790-32-1,165645,magnesium diiodate,[O-]I(=O)=O.[O-]I(=O)=O.[Mg+2],"InChI=1S/2HIO3.Mg/c2*2-1(3)4;/h2*(H,2,3,4);/q;;+2/p-2",UYNRPXVNKVAGAN-UHFFFAOYSA-L,I2MgO6,374.11,373.76347,,114,36,0,0,6,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PERBORIC ACID, SODIUM SALT",011138-47-9,23711812,sodium dihydrogen borate,B(O)(O)[O-].[Na+],InChI=1S/BH2O3.Na/c2-1(3)4;/h2-3H;/q-1;+1,WBQSJYNAUANADO-UHFFFAOYSA-N,BH2NaO3,83.82,83.9994684,,63.5,14,0,2,3,0,5,,,0,0,1,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,1
THORIUM(IV) NITRATE,013823-29-5,26293,thorium(4+) tetranitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Th+4],InChI=1S/4NO3.Th/c4*2-1(3)4;/q4*-1;+4,VGBPIHVLVSGJGR-UHFFFAOYSA-N,N4O12Th,480.06,479.98933,,252,18,0,0,12,0,17,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
ZINC CHROMITE,050922-29-7,72720432,zinc;bis(chromium(3+));tetrakis(oxygen(2-)),[O-2].[O-2].[O-2].[O-2].[Cr+3].[Cr+3].[Zn+2],InChI=1S/2Cr.4O.Zn/q2*+3;4*-2;+2,JQOAZIZLIIOXEW-UHFFFAOYSA-N,Cr2O4Zn,233.4,231.78981,,4,0,0,0,4,0,7,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BARIUM CHROMATE(VI),010294-40-3,25136,barium(2+);dioxido(dioxo)chromium,[O-][Cr](=O)(=O)[O-].[Ba+2],InChI=1S/Ba.Cr.4O/q+2;;;;2*-1,QFFVPLLCYGOFPU-UHFFFAOYSA-N,BaCrO4,253.32,253.82541,,80.3,62,0,0,4,0,6,,,1,1,1,1,0,1,1,0,0,0,1,0,0,1,1,0,0,1,1,0
AMMONIUM NITRATE,006484-52-2,22985,azanium nitrate,[NH4+].[N+](=O)([O-])[O-],InChI=1S/NO3.H3N/c2-1(3)4;/h;1H3/q-1;/p+1,DVARTQFDIMZBAA-UHFFFAOYSA-O,H4N2O3,80.044,80.02219199,,63.9,18,0,1,3,0,5,,Decomposes at 200-260 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
ZINC NITRATE,007779-88-6,24518,zinc dinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Zn+2],InChI=1S/2NO3.Zn/c2*2-1(3)4;/q2*-1;+2,ONDPHDOFVYQSGI-UHFFFAOYSA-N,N2O6Zn,189.4,187.904778,,126,18,0,0,6,0,9,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
AMMONIUM PERSULFATE,007727-54-0,62648,diazanium;sulfonatooxy sulfate,[NH4+].[NH4+].[O-]S(=O)(=O)OOS(=O)(=O)[O-],"InChI=1S/2H3N.H2O8S2/c;;1-9(2,3)7-8-10(4,5)6/h2*1H3;(H,1,2,3)(H,4,5,6)",ROOXNKNUYICQNP-UHFFFAOYSA-N,H8N2O8S2,228.21,227.9722076,,152,206,0,2,8,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
PHOSPHOMOLYBDIC ACID HYDRATE,051429-74-4,16211564,phosphoric acid;dodecakis(trioxomolybdenum);hydrate,O.OP(=O)(O)O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O,"InChI=1S/12Mo.H3O4P.H2O.36O/c;;;;;;;;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;(H3,1,2,3,4);1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;",PDDXOPNEMCREGN-UHFFFAOYSA-N,H5Mo12O41P,1843.4,1841.673805,,693,112,0,4,41,0,54,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
LEAD DIOXIDE,001309-60-0,14793,dioxolead,O=[Pb]=O,InChI=1S/2O.Pb,YADSGOSSYOOKMP-UHFFFAOYSA-N,O2Pb,239,239.96648,,34.1,18,0,0,2,0,3,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
URANYL NITRATE HEXAHYDRATE,013520-83-7,61640,dioxouranium;bis(nitric acid);hexahydrate,[N+](=O)(O)[O-].[N+](=O)(O)[O-].O.O.O.O.O.O.O=[U]=O,"InChI=1S/2HNO3.6H2O.2O.U/c2*2-1(3)4;;;;;;;;;/h2*(H,2,3,4);6*1H2;;;",WRIBVRZWDPGVQH-UHFFFAOYSA-N,H14N2O14U,504.15,504.09529,,172,116,0,8,14,0,17,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"NITROUS ACID, CALCIUM SALT",013780-06-8,159695,calcium dinitrite,N(=O)[O-].N(=O)[O-].[Ca+2],"InChI=1S/Ca.2HNO2/c;2*2-1-3/h;2*(H,2,3)/q+2;;/p-2",AONJRPXZCVADKF-UHFFFAOYSA-L,CaN2O4,132.09,131.9483973,,105,7,0,0,6,0,7,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
CYANOGEN CHLORIDE,000506-77-4,10477,carbononitridic chloride,C(#N)Cl,InChI=1S/CClN/c2-1-3,QPJDMGCKMHUXFD-UHFFFAOYSA-N,CClN,61.47,60.9719267,1,23.8,31,0,0,1,0,3,"Not Applicable. Not flammable. (USCG, 1999)","55.6 °F at 760 mmHg (USCG, 1999)",1,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
HEXAFLUOROACETONE,000684-16-2,12695,"1,1,1,3,3,3-hexafluoropropan-2-one",C(=O)(C(F)(F)F)C(F)(F)F,"InChI=1S/C3F6O/c4-2(5,6)1(10)3(7,8)9",VBZWSGALLODQNC-UHFFFAOYSA-N,C3F6O,166.02,165.9853336,1.5,17.1,124,0,0,7,0,10,,"-18 °F at 760 mmHg (NIOSH, 2024)",0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,1
SULFUR TETRAFLUORIDE,007783-60-0,24555,tetrafluoro-lambda4-sulfane,FS(F)(F)F,"InChI=1S/F4S/c1-5(2,3)4",QHMQWEPBXSHHLH-UHFFFAOYSA-N,F4S,108.06,107.9656838,3.1,1,19,0,0,5,0,5,,"-40 °F at 760 mmHg (EPA, 1998)",0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
TUNGSTEN HEXAFLUORIDE,007783-82-6,522684,hexafluorotungsten,F[W](F)(F)(F)(F)F,InChI=1S/6FH.W/h6*1H;/q;;;;;;+6/p-6,NXHILIPIEUBEPD-UHFFFAOYSA-H,F6W,297.83,297.941352,,0,62,0,0,6,0,7,,67 °F,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
GERMANIUM TETRAFLUORIDE,007783-58-6,82215,tetrafluorogermane,F[Ge](F)(F)F,"InChI=1S/F4Ge/c1-5(2,3)4",PPMWWXLUCOODDK-UHFFFAOYSA-N,F4Ge,148.62,149.9147904,,0,19,0,0,4,0,5,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,0
SILICON TETRAFLUORIDE,007783-61-1,24556,tetrafluorosilane,F[Si](F)(F)F,"InChI=1S/F4Si/c1-5(2,3)4",ABTOQLMXBSRXSM-UHFFFAOYSA-N,F4Si,104.079,103.9705392,,0,19,0,0,4,0,5,,-86 °C,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
HEXAFLUORO-2-BUTYNE,000692-50-2,69654,"1,1,1,4,4,4-hexafluorobut-2-yne",C(#CC(F)(F)F)C(F)(F)F,"InChI=1S/C4F6/c5-3(6,7)1-2-4(8,9)10",WBCLXFIDEDJGCC-UHFFFAOYSA-N,C4F6,162.03,161.990419,2.5,0,151,0,0,6,0,10,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETYL FLUORIDE, TRIFLUORO-",000354-34-7,67716,"2,2,2-trifluoroacetyl fluoride",C(=O)(C(F)(F)F)F,"InChI=1S/C2F4O/c3-1(7)2(4,5)6",DCEPGADSNJKOJK-UHFFFAOYSA-N,C2F4O,116.01,115.9885273,1.4,17.1,82,0,0,5,0,7,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"1-PROPENE, 3,3,3-TRIFLUORO-2-(TRIFLUOROMETHYL)-",000382-10-5,91450,"3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene",C=C(C(F)(F)F)C(F)(F)F,"InChI=1S/C4H2F6/c1-2(3(5,6)7)4(8,9)10/h1H2",QMIWYOZFFSLIAK-UHFFFAOYSA-N,C4H2F6,164.05,164.006069,3.1,0,121,0,0,6,0,10,,,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0
"PROPANENITRILE, PENTAFLUORO-",000422-04-8,67906,"2,2,3,3,3-pentafluoropropanenitrile",C(#N)C(C(F)(F)F)(F)F,"InChI=1S/C3F5N/c4-2(5,1-9)3(6,7)8",MTLOQUGSPBVZEO-UHFFFAOYSA-N,C3F5N,145.03,144.9950898,1.8,23.8,147,0,0,6,0,9,,,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANOYL FLUORIDE, PENTAFLUORO-",000422-61-7,67912,"2,2,3,3,3-pentafluoropropanoyl fluoride",C(=O)(C(C(F)(F)F)(F)F)F,"InChI=1S/C3F6O/c4-1(10)2(5,6)3(7,8)9",YLCLKCNTDGWDMD-UHFFFAOYSA-N,C3F6O,166.02,165.9853336,2,17.1,146,0,0,7,1,10,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CHLORODIFLUROMETHANE,000075-45-6,6372,chloro(difluoro)methane,C(F)(F)Cl,InChI=1S/CHClF2/c2-1(3)4/h1H,VOPWNXZWBYDODV-UHFFFAOYSA-N,CHClF2,86.47,85.9734841,1.8,0,13,0,0,2,0,4,,"-40.9 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CHLOROPENTAFLUOROETHANE,000076-15-3,6430,"1-chloro-1,1,2,2,2-pentafluoroethane",C(C(F)(F)Cl)(F)(F)F,"InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8",RFCAUADVODFSLZ-UHFFFAOYSA-N,C2ClF5,154.46,153.9608685,2.6,0,82,0,0,5,0,8,,"-38 °F at 760 mmHg (NIOSH, 2024)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
FREON 12,000075-71-8,6391,dichloro(difluoro)methane,C(F)(F)(Cl)Cl,"InChI=1S/CCl2F2/c2-1(3,4)5",PXBRQCKWGAHEHS-UHFFFAOYSA-N,CCl2F2,120.91,119.9345117,2.3,0,30,0,0,2,0,5,,"-21.6 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DICHLOROFLUOROMETHANE,000075-43-4,6370,dichloro(fluoro)methane,C(F)(Cl)Cl,InChI=1S/CHCl2F/c2-1(3)4/h1H,UMNKXPULIDJLSU-UHFFFAOYSA-N,CHCl2F,102.92,101.9439336,2,0,13,0,0,1,0,4,,"48 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
NEON,007440-01-9,23935,neon,[Ne],InChI=1S/Ne,GKAOGPIIYCISHV-UHFFFAOYSA-N,Ne,20.18,19.99244018,,0,0,0,0,0,0,1,,-246.053 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
KRYPTON,007439-90-9,5416,krypton,[Kr],InChI=1S/Kr,DNNSSWSSYDEUBZ-UHFFFAOYSA-N,Kr,83.8,83.91149773,,0,0,0,0,0,0,1,,-153 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CHLOROTRIFLUOROMETHANE,000075-72-9,6392,chloro(trifluoro)methane,C(F)(F)(F)Cl,"InChI=1S/CClF3/c2-1(3,4)5",AFYPFACVUDMOHA-UHFFFAOYSA-N,CClF3,104.46,103.9640622,2,0,28,0,0,3,0,5,,"-114 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,1,1,2-TETRAFLUOROETHANE",000811-97-2,13129,"1,1,1,2-tetrafluoroethane",C(C(F)(F)F)F,"InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2",LVGUZGTVOIAKKC-UHFFFAOYSA-N,C2H2F4,102.03,102.0092627,1.7,0,35,0,0,4,0,6,,-26.5 °C at 1 atmosphere,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BROMOCHLORODIFLUOROMETHANE,000353-59-3,9625,bromo-chloro-difluoromethane,C(F)(F)(Cl)Br,"InChI=1S/CBrClF2/c2-1(3,4)5",MEXUFEQDCXZEON-UHFFFAOYSA-N,CBrClF2,165.36,163.884,2.4,0,36,0,0,2,0,5,,-3.7 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
OCTAFLUOROPROPANE,000076-19-7,6432,"1,1,1,2,2,3,3,3-octafluoropropane",C(C(F)(F)F)(C(F)(F)F)(F)F,"InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11",QYSGYZVSCZSLHT-UHFFFAOYSA-N,C3F8,188.02,187.9872253,3.1,0,120,0,0,8,0,11,,-36.7 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
FREON 124,002837-89-0,17822,"2-chloro-1,1,1,2-tetrafluoroethane",C(C(F)(F)F)(F)Cl,"InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H",BOUGCJDAQLKBQH-UHFFFAOYSA-N,C2HClF4,136.47,135.9702904,2.4,0,57,0,0,4,0,7,,"13.6 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,1,1,2,3,3,3-HEPTAFLUOROPROPANE",000431-89-0,67940,"1,1,1,2,3,3,3-heptafluoropropane",C(C(F)(F)F)(C(F)(F)F)F,"InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H",YFMFNYKEUDLDTL-UHFFFAOYSA-N,C3HF7,170.03,169.9966472,2.9,0,93,0,0,7,0,10,,-16.34 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,1,1,2,3,3-HEXAFLUOROPROPANE",000431-63-0,79009,"1,1,1,2,3,3-hexafluoropropane",C(C(F)F)(C(F)(F)F)F,"InChI=1S/C3H2F6/c4-1(2(5)6)3(7,8)9/h1-2H",FYIRUPZTYPILDH-UHFFFAOYSA-N,C3H2F6,152.04,152.006069,2.6,0,82,0,0,6,1,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,1,1,3,3,3-HEXAFLUOROPROPANE",000690-39-1,12722,"1,1,1,3,3,3-hexafluoropropane",C(C(F)(F)F)C(F)(F)F,"InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2",NSGXIBWMJZWTPY-UHFFFAOYSA-N,C3H2F6,152.04,152.006069,2.8,0,73,0,0,6,0,9,,-1.1 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"HELIUM, ISOTOPE OF MASS 3",014762-55-1,6857639,helium-3,[3He],InChI=1S/He/i1-1,SWQJXJOGLNCZEY-BJUDXGSMSA-N,He,3.016029322,3.016029322,,0,0,0,0,0,0,1,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(1E)-1,3,3,3-TETRAFLUOROPROPENE",029118-24-9,5708720,"(E)-1,3,3,3-tetrafluoroprop-1-ene",C(=C/F)\C(F)(F)F,"InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+",CDOOAUSHHFGWSA-OWOJBTEDSA-N,C3H2F4,114.04,114.0092627,1.7,0,69,0,0,4,0,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,3,3,3-TETRAFLUORO-2- (TRIFLUOROMETHYL)-PROPANENITRILE",042532-60-5,12633773,"2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanenitrile",C(#N)C(C(F)(F)F)(C(F)(F)F)F,"InChI=1S/C4F7N/c5-2(1-12,3(6,7)8)4(9,10)11",AASDJASZOZGYMM-UHFFFAOYSA-N,C4F7N,195.04,194.9918961,2.4,23.8,200,0,0,8,0,12,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-CHLORO-1,1,1-TRIFLUORO-ETHANE (HCFC-133A)",000075-88-7,6408,"2-chloro-1,1,1-trifluoroethane",C(C(F)(F)F)Cl,"InChI=1S/C2H2ClF3/c3-1-2(4,5)6/h1H2",CYXIKYKBLDZZNW-UHFFFAOYSA-N,C2H2ClF3,118.48,117.9797122,1.9,0,38,0,0,3,0,6,,6.1 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANE, PENTAFLUOROIODO-",000354-64-3,9636,"1,1,1,2,2-pentafluoro-2-iodoethane",C(C(F)(F)I)(F)(F)F,"InChI=1S/C2F5I/c3-1(4,5)2(6,7)8",UXPOJVLZTPGWFX-UHFFFAOYSA-N,C2F5I,245.92,245.89649,2.8,0,82,0,0,5,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BUTENE, 1,1,1,2,3,4,4,4-OCTAFLUORO-",000360-89-4,2775851,"(E)-1,1,1,2,3,4,4,4-octafluorobut-2-ene",C(=C(/C(F)(F)F)\F)(\C(F)(F)F)/F,"InChI=1S/C4F8/c5-1(3(7,8)9)2(6)4(10,11)12/b2-1+",WSJULBMCKQTTIG-OWOJBTEDSA-N,C4F8,200.03,199.9872253,2.5,0,170,0,0,8,0,12,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MONOCHLOROTETRAFLUOROPROPANE (HCFC 244),134190-50-4,20453893,"2-chloro-1,1,1,2-tetrafluoropropane",CC(C(F)(F)F)(F)Cl,"InChI=1S/C3H3ClF4/c1-2(4,5)3(6,7)8/h1H3",SMCNZLDHTZESTK-UHFFFAOYSA-N,C3H3ClF4,150.5,149.9859404,2.6,0,87,0,0,4,0,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
NITROGEN,007727-37-9,947,molecular nitrogen,N#N,InChI=1S/N2/c1-2,IJGRMHOSHXDMSA-UHFFFAOYSA-N,N2,28.014,28.00614801,0.1,47.6,8,0,0,2,0,2,,"-320.1 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,1,1,3,3-PENTAFLUOROPROPANE",000460-73-1,68030,"1,1,1,3,3-pentafluoropropane",C(C(F)F)C(F)(F)F,"InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2",MSSNHSVIGIHOJA-UHFFFAOYSA-N,C3H3F5,134.05,134.0154909,2.5,0,62,0,0,5,1,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-DICHLORO-1,1,2,2-TETRAFLUOROETHANE",000076-14-2,6429,"1,2-dichloro-1,1,2,2-tetrafluoroethane",C(C(F)(F)Cl)(F)(F)Cl,"InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8",DDMOUSALMHHKOS-UHFFFAOYSA-N,C2Cl2F4,170.92,169.931318,2.8,0,78,0,0,4,1,8,,"38.8 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SULFUR HEXAFLUORIDE,002551-62-4,17358,hexafluoro-lambda6-sulfane,FS(F)(F)(F)(F)F,"InChI=1S/F6S/c1-7(2,3,4,5)6",SFZCNBIFKDRMGX-UHFFFAOYSA-N,F6S,146.06,145.9624902,4.2,1,62,0,0,6,0,7,,"Sublimes (NIOSH, 2024)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
BROMOTRIFLUOROMETHANE,000075-63-8,6384,bromo(trifluoro)methane,C(F)(F)(F)Br,"InChI=1S/CBrF3/c2-1(3,4)5",RJCQBQGAPKAMLL-UHFFFAOYSA-N,CBrF3,148.91,147.91355,2.2,0,28,0,0,3,0,5,,"-72 °F at 760 mmHg (NIOSH, 2024)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAFLUOROMETHANE,000075-73-0,6393,tetrafluoromethane,C(F)(F)(F)F,"InChI=1S/CF4/c2-1(3,4)5",TXEYQDLBPFQVAA-UHFFFAOYSA-N,CF4,88.004,87.99361265,1.8,0,19,0,0,4,0,5,,-127.9 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIFLUOROMETHANE,000075-46-7,6373,fluoroform,C(F)(F)F,InChI=1S/CHF3/c2-1(3)4/h1H,XPDWGBQVDMORPB-UHFFFAOYSA-N,CHF3,70.014,70.00303452,1.5,0,8,0,0,3,0,4,,-82.0 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PLATINUM DICHLORIDE,010025-65-7,2770,dichloroplatinum,Cl[Pt]Cl,InChI=1S/2ClH.Pt/h2*1H;/q;;+2/p-2,CLSUSRZJUQMOHH-UHFFFAOYSA-L,Cl2Pt,265.99,264.9025,,0,2,0,0,0,0,3,,,0,0,0,0,0,0,1,1,0,0,0,1,0,0,1,0,1,1,0,0
MAGNESIUM CHLORIDE,007786-30-3,5360315,magnesium dichloride,[Mg+2].[Cl-].[Cl-],InChI=1S/2ClH.Mg/h2*1H;/q;;+2/p-2,TWRXJAOTZQYOKJ-UHFFFAOYSA-L,Cl2Mg,95.21,93.9227471,,0,0,0,0,2,0,3,,"1,412 °C",0,0,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1
PLATINUM(IV) CHLORIDE,013454-96-1,26031,tetrachloroplatinum,Cl[Pt](Cl)(Cl)Cl,InChI=1S/4ClH.Pt/h4*1H;/q;;;;+4/p-4,FBEIPJNQGITEBL-UHFFFAOYSA-J,Cl4Pt,336.9,336.837255,,0,19,0,0,0,0,5,,,0,0,0,1,0,0,0,1,0,0,0,1,0,0,1,0,1,1,0,0
GALLIUM METAL,007440-55-3,5360835,gallium,[Ga],InChI=1S/Ga,GYHNNYVSQQEPJS-UHFFFAOYSA-N,Ga,69.723,68.92557,,0,0,0,0,0,0,1,,Approx 2400 °C,0,0,0,1,0,0,1,0,0,0,0,1,0,0,0,0,1,0,0,0
GALLIUM(III) CHLORIDE,013450-90-3,26010,trichlorogallane,Cl[Ga](Cl)Cl,InChI=1S/3ClH.Ga/h3*1H;/q;;;+3/p-3,UPWPDUACHOATKO-UHFFFAOYSA-K,Cl3Ga,176.08,173.83213,,0,8,0,0,0,0,4,,"394 °F at 760 mmHg (EPA, 1998)",0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
4-CHLOROBUTYRYL CHLORIDE,004635-59-0,78370,4-chlorobutanoyl chloride,C(CC(=O)Cl)CCl,InChI=1S/C4H6Cl2O/c5-3-1-2-4(6)7/h1-3H2,CDIIZULDSLKBKV-UHFFFAOYSA-N,C4H6Cl2O,140.99,139.9795702,1.7,17.1,62,0,0,1,3,7,,173.5 °C,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0
OLEYL DIAMINE,007173-62-8,6435904,"N'-[(Z)-octadec-9-enyl]propane-1,3-diamine",CCCCCCCC/C=C\CCCCCCCCNCCCN,"InChI=1S/C21H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h9-10,23H,2-8,11-22H2,1H3/b10-9-",TUFJPPAQOXUHRI-KTKRTIGZSA-N,C21H44N2,324.6,324.3504494,7.1,38.1,226,0,2,2,19,23,,,1,0,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,1,0
ETHANESULFONIC ACID,000594-45-6,11668,ethanesulfonic acid,CCS(=O)(=O)O,"InChI=1S/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5)",CCIVGXIOQKPBKL-UHFFFAOYSA-N,C2H6O3S,110.13,110.0037652,-0.5,62.8,105,0,1,3,1,6,,,0,1,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1
STRONTIUM SULFIDE,001314-96-1,14820,sulfanylidenestrontium,S=[Sr],InChI=1S/S.Sr,XXCMBPUMZXRBTN-UHFFFAOYSA-N,SSr,119.69,119.8776834,,32.1,2,0,0,1,0,2,,,1,0,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
PYRUVIC ALDEHYDE,000078-98-8,880,2-oxopropanal,CC(=O)C=O,"InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3",AIJULSRZWUXGPQ-UHFFFAOYSA-N,C3H4O2,72.06,72.02112937,-0.4,34.1,55,0,0,2,1,5,,"162 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,1,1,0,0,0,0,1,1,0,1
COPPER(II) CHLORIDE HYDRATE,013468-85-4,16219111,dichlorocopper;hydrate,O.Cl[Cu]Cl,InChI=1S/2ClH.Cu.H2O/h2*1H;;1H2/q;;+2;/p-2,VWYGTDAUKWEPCZ-UHFFFAOYSA-L,Cl2CuH2O,152.46,150.877867,,1,2,0,1,1,0,4,,,1,1,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,0
DECANOYL CHLORIDE,000112-13-0,66982,decanoyl chloride,CCCCCCCCCC(=O)Cl,"InChI=1S/C10H19ClO/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3",IPIVAXLHTVNRBS-UHFFFAOYSA-N,C10H19ClO,190.71,190.1124429,5.1,17.1,112,0,0,1,8,12,,,0,0,1,1,0,0,1,1,0,0,0,1,0,0,0,0,1,1,0,0
SODIUM TETRACHLOROAURATE(III) DIHYDRATE,013874-02-7,18949434,sodium;tetrachlorogold(1-);dihydrate,O.O.[Na+].Cl[Au-](Cl)(Cl)Cl,InChI=1S/Au.4ClH.Na.2H2O/h;4*1H;;2*1H2/q+3;;;;;+1;;/p-4,OEERDTKOVZFOHF-UHFFFAOYSA-J,AuCl4H4NaO2,397.8,397.849929,,2,19,0,2,3,0,8,,,0,0,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,1
SODIUM HEXACHLOROIRIDATE(IV) HEXAHYDRATE,019567-78-3,19849276,disodium;hexachloroiridium(2-);hexahydrate,O.O.O.O.O.O.[Na+].[Na+].Cl[Ir-2](Cl)(Cl)(Cl)(Cl)Cl,InChI=1S/6ClH.Ir.2Na.6H2O/h6*1H;;;;6*1H2/q;;;;;;+4;2*+1;;;;;;/p-6,QZVJPVJIAOOTJU-UHFFFAOYSA-H,Cl6H12IrNa2O6,559,558.81602,,6,62,0,6,7,0,15,,,0,1,1,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
AMMONIUM HEXACHLOROIRIDATE(IV),016940-92-4,16211476,diazanium;hexachloroiridium(2-),[NH4+].[NH4+].Cl[Ir-2](Cl)(Cl)(Cl)(Cl)Cl,InChI=1S/6ClH.Ir.2H3N/h6*1H;;2*1H3/q;;;;;;+4;;/p-4,LWNOUTCTZQNGEN-UHFFFAOYSA-J,Cl6H8IrN2,441,440.84184,,2,62,0,2,1,0,9,,,0,1,1,1,0,0,1,1,0,0,0,1,0,0,0,0,0,1,0,0
SODIUM HEXACHLOROPLATINATE(IV) HEXAHYDRATE,019583-77-8,24846071,disodium;hexachloroplatinum(2-);hexahydrate,O.O.O.O.O.O.[Na+].[Na+].Cl[Pt-2](Cl)(Cl)(Cl)(Cl)Cl,InChI=1S/6ClH.2Na.6H2O.Pt/h6*1H;;;6*1H2;/q;;;;;;2*+1;;;;;;;+4/p-6,ZBFQOIBWJITQRI-UHFFFAOYSA-H,Cl6H12Na2O6Pt,561.9,560.817887,,6,62,0,6,7,0,15,,,1,0,0,1,0,0,1,1,0,0,0,1,0,0,1,0,0,1,0,0
LAUROYL CHLORIDE,000112-16-3,8166,dodecanoyl chloride,CCCCCCCCCCCC(=O)Cl,"InChI=1S/C12H23ClO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3",NQGIJDNPUZEBRU-UHFFFAOYSA-N,C12H23ClO,218.76,218.143743,5.2,17.1,134,0,0,1,10,14,,145 °C @ 18 MM HG,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,1,0,0
TRICHLOROACETYL CHLORIDE,000076-02-8,6420,"2,2,2-trichloroacetyl chloride",C(=O)(C(Cl)(Cl)Cl)Cl,"InChI=1S/C2Cl4O/c3-1(7)2(4,5)6",PVFOMCVHYWHZJE-UHFFFAOYSA-N,C2Cl4O,181.8,181.867375,2.6,17.1,82,0,0,1,0,7,,"244 °F at 760 mmHg (EPA, 1998)",1,0,1,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,1
2-CHLOROETHYLAMINE MONOHYDROCHLORIDE,000870-24-6,9793737,2-chloroethanamine;hydrochloride,C(CCl)N.Cl,"InChI=1S/C2H6ClN.ClH/c3-1-2-4;/h1-2,4H2;1H",ONRREFWJTRBDRA-UHFFFAOYSA-N,C2H7Cl2N,115.99,114.9955546,,26,10,0,2,1,1,5,,,0,0,0,0,0,0,0,1,0,0,1,1,0,0,0,0,1,0,0,1
SILVER METHANESULFONATE,002386-52-9,159658,silver methanesulfonate,CS(=O)(=O)[O-].[Ag+],"InChI=1S/CH4O3S.Ag/c1-5(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1",MLKQJVFHEUORBO-UHFFFAOYSA-M,CH3AgO3S,202.97,201.88538,,65.6,79,0,0,3,0,6,,,1,1,1,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,1
POTASSIUM HYDROXIDE MONOHYDRATE,026288-25-5,23719240,potassium;hydroxide;hydrate,O.[OH-].[K+],InChI=1S/K.2H2O/h;2*1H2/q+1;;/p-1,LUMVCLJFHCTMCV-UHFFFAOYSA-M,H3KO2,74.121,73.97701082,,2,2,0,2,2,0,3,,,0,0,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
SODIUM TETRACHLOROPALLADATE(II),013820-53-6,11000870,disodium;tetrachloropalladium(2-),[Na+].[Na+].Cl[Pd-2](Cl)(Cl)Cl,InChI=1S/4ClH.2Na.Pd/h4*1H;;;/q;;;;2*+1;+2/p-4,ZIXLZKBNIAXVBE-UHFFFAOYSA-J,Cl4Na2Pd,294.2,293.75548,,0,19,0,0,1,0,7,,,1,0,0,1,0,0,1,1,0,0,0,1,0,0,0,0,0,1,0,0
11-BROMOUNDECYLTRICHLOROSILANE,079769-48-5,15895053,11-bromoundecyl(trichloro)silane,C(CCCCC[Si](Cl)(Cl)Cl)CCCCCBr,"InChI=1S/C11H22BrCl3Si/c12-10-8-6-4-2-1-3-5-7-9-11-16(13,14)15/h1-11H2",LLNQRNOPJAFMFQ-UHFFFAOYSA-N,C11H22BrCl3Si,368.6,365.97397,,0,151,0,0,0,10,16,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
SILVER POTASSIUM CYANIDE,000506-61-6,10474,potassium;silver;dicyanide,[C-]#N.[C-]#N.[K+].[Ag+],InChI=1S/2CN.Ag.K/c2*1-2;;/q2*-1;2*+1,HKSGQTYSSZOJOA-UHFFFAOYSA-N,C2AgKN2,199,197.87495,,47.6,10,0,0,4,0,6,,,1,1,1,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,0
"N,N-DIMETHYLCARBAMOTHIOIC CHLORIDE",016420-13-6,27871,"N,N-dimethylcarbamothioyl chloride",CN(C)C(=S)Cl,InChI=1S/C3H6ClNS/c1-5(2)3(4)6/h1-2H3,PHWISQNXPLXQRU-UHFFFAOYSA-N,C3H6ClNS,123.61,122.9909481,1.4,35.3,61,0,0,1,0,6,,,0,0,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,1,0,0
ETHYLENE GLYCOL METHACRYLATE PHOSPHATE,024599-21-1,90551,2-phosphonooxyethyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCOP(=O)(O)O,"InChI=1S/C6H11O6P/c1-5(2)6(7)11-3-4-12-13(8,9)10/h1,3-4H2,2H3,(H2,8,9,10)",SEILKFZTLVMHRR-UHFFFAOYSA-N,C6H11O6P,210.12,210.0293251,-0.6,93.1,242,0,2,6,6,13,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
HEPTANOYL CHLORIDE,002528-61-2,17313,heptanoyl chloride,CCCCCCC(=O)Cl,"InChI=1S/C7H13ClO/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3",UCVODTZQZHMTPN-UHFFFAOYSA-N,C7H13ClO,148.63,148.0654927,3.5,17.1,81,0,0,1,5,9,,,0,0,1,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"PROPANOYL FLUORIDE, 2,3,3,3-TETRAFLUORO-2-[1,1,2,3,3,3-HEXAFLUORO-2-(HEPTAFLUO",002641-34-1,102863,"2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoyl fluoride",C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)F,"InChI=1S/C9F18O3/c10-1(28)2(11,5(15,16)17)29-9(26,27)4(14,7(21,22)23)30-8(24,25)3(12,13)6(18,19)20",YSIGVPOSKQLNTO-UHFFFAOYSA-N,C9F18O3,498.06,497.9560008,6.2,35.5,645,0,0,21,7,30,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"(2-ETHYLHEXYL)PHOSPHONIC ACID, MONO(2-ETHYLHEXYL) ESTER",014802-03-0,85771,2-ethylhexoxy(2-ethylhexyl)phosphinic acid,CCCCC(CC)COP(=O)(CC(CC)CCCC)O,"InChI=1S/C16H35O3P/c1-5-9-11-15(7-3)13-19-20(17,18)14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,17,18)",ZDFBXXSHBTVQMB-UHFFFAOYSA-N,C16H35O3P,306.42,306.232382,5.2,46.5,268,0,1,3,13,20,,,0,1,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"3,5,5-TRIMETHYLHEXANOYL CHLORIDE",036727-29-4,161929,"3,5,5-trimethylhexanoyl chloride",CC(CC(=O)Cl)CC(C)(C)C,"InChI=1S/C9H17ClO/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3",GEKPNPPFAYJZRD-UHFFFAOYSA-N,C9H17ClO,176.68,176.0967929,3.8,17.1,135,0,0,1,4,11,,,0,0,1,1,0,0,1,1,0,0,0,1,0,0,0,0,1,1,0,0
THEXYLTRICHLOROSILANE,018151-53-6,15211689,"trichloro(2,3-dimethylbutan-2-yl)silane",CC(C)C(C)(C)[Si](Cl)(Cl)Cl,"InChI=1S/C6H13Cl3Si/c1-5(2)6(3,4)10(7,8)9/h5H,1-4H3",OMLLOLAFIFULFX-UHFFFAOYSA-N,C6H13Cl3Si,219.6,217.98521,,0,115,0,0,0,1,10,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
POTASSIUM TRIS(TRIFLUOROMETHANESULFONYL)METHIDE,114395-69-6,52991969,potassium bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane,[C-](S(=O)(=O)C(F)(F)F)(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.[K+],"InChI=1S/C4F9O6S3.K/c5-2(6,7)20(14,15)1(21(16,17)3(8,9)10)22(18,19)4(11,12)13;/q-1;+1",RJPWSGDBEHVWPP-UHFFFAOYSA-N,C4F9KO6S3,450.3,449.8350362,,128,617,0,0,16,0,23,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
3-(METHYLTHIO)PROPIONIC ACID,000646-01-5,563,3-methylsulfanylpropanoic acid,CSCCC(=O)O,"InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)",CAOMCZAIALVUPA-UHFFFAOYSA-N,C4H8O2S,120.17,120.0245007,0.4,62.6,62,0,1,3,3,7,,244.00 to 247.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"1,2-ETHANEDISULFONIC ACID DIHYDRATE",000110-04-3,8032,"ethane-1,2-disulfonic acid",C(CS(=O)(=O)O)S(=O)(=O)O,"InChI=1S/C2H6O6S2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H,3,4,5)(H,6,7,8)",AFAXGSQYZLGZPG-UHFFFAOYSA-N,C2H6O6S2,190.2,189.9605803,-2,126,239,0,2,6,3,10,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"PROPANOIC ACID, 2-BROMO-2-METHYL-, 3-(TRICHLOROSILYL)PROPYL ESTER",688359-84-4,16744148,3-trichlorosilylpropyl 2-bromo-2-methylpropanoate,CC(C)(C(=O)OCCC[Si](Cl)(Cl)Cl)Br,"InChI=1S/C7H12BrCl3O2Si/c1-7(2,8)6(12)13-4-3-5-14(9,10)11/h3-5H2,1-2H3",GEVOCWHKMYIZGM-UHFFFAOYSA-N,C7H12BrCl3O2Si,342.5,339.88555,,26.3,206,0,0,2,5,14,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
COBALT(II) TRIFLUOROMETHANESULFONATE,058164-61-7,12984862,cobalt(2+);bis(trifluoromethanesulfonate),C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Co+2],"InChI=1S/2CHF3O3S.Co/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2",RDLMYNHWUFIVQE-UHFFFAOYSA-L,C2CoF6O6S2,357.08,356.837243,,131,145,0,0,12,0,17,,,0,0,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1
SULFAMOYL CHLORIDE,007778-42-9,24499,sulfamoyl chloride,NS(=O)(=O)Cl,"InChI=1S/ClH2NO2S/c1-5(2,3)4/h(H2,2,3,4)",QAHVHSLSRLSVGS-UHFFFAOYSA-N,ClH2NO2S,115.54,114.9494772,-0.3,68.5,95,0,1,3,0,5,,,0,0,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"HEXANOYL FLUORIDE, UNDECAFLUORO-",000355-38-4,67731,"2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoyl fluoride",C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F,"InChI=1S/C6F12O/c7-1(19)2(8,9)3(10,11)4(12,13)5(14,15)6(16,17)18",XATLHBQMSOZWBO-UHFFFAOYSA-N,C6F12O,316.04,315.9757526,4,17.1,365,0,0,13,4,19,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"PENTANOYL FLUORIDE, NONAFLUORO-",000375-62-2,67812,"2,2,3,3,4,4,5,5,5-nonafluoropentanoyl fluoride",C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F,"InChI=1S/C5F10O/c6-1(16)2(7,8)3(9,10)4(11,12)5(13,14)15",RUFSXELMOQBMOF-UHFFFAOYSA-N,C5F10O,266.04,265.9789462,3.4,17.1,288,0,0,11,3,16,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"UREA, MONOHYDROCHLORIDE",000506-89-8,101721,urea;hydrochloride,C(=O)(N)N.Cl,"InChI=1S/CH4N2O.ClH/c2-1(3)4;/h(H4,2,3,4);1H",VYWQTJWGWLKBQA-UHFFFAOYSA-N,CH5ClN2O,96.52,96.0090405,,69.1,29,0,3,1,0,5,,,0,0,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1
"HEXADECANOIC ACID, ANHYDRIDE",000623-65-4,69339,hexadecanoyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C32H62O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)35-32(34)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3",QWZBEFCPZJWDKC-UHFFFAOYSA-N,C32H62O3,494.8,494.4698958,14.6,43.4,406,0,0,3,30,35,,,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0
"PROPANOYL CHLORIDE, 3-CHLORO-",000625-36-5,69364,3-chloropropanoyl chloride,C(CCl)C(=O)Cl,InChI=1S/C3H4Cl2O/c4-2-1-3(5)6/h1-2H2,INUNLMUAPJVRME-UHFFFAOYSA-N,C3H4Cl2O,126.97,125.9639201,1.3,17.1,52,0,0,1,2,6,,,0,0,1,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"PENTANEDIOYL DICHLORIDE, HEXAFLUORO-",000678-77-3,69621,"2,2,3,3,4,4-hexafluoropentanedioyl dichloride",C(=O)(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)Cl,"InChI=1S/C5Cl2F6O2/c6-1(14)3(8,9)5(12,13)4(10,11)2(7)15",QOLALWJWCONGMG-UHFFFAOYSA-N,C5Cl2F6O2,276.95,275.9179536,3.3,34.1,274,0,0,8,4,15,,,0,0,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1
"PROPANOYL FLUORIDE, 2,3,3,3-TETRAFLUORO-2-(HEPTAFLUOROPROPOXY)-",002062-98-8,102740,"2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoride",C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)F,"InChI=1S/C6F12O2/c7-1(19)2(8,4(11,12)13)20-6(17,18)3(9,10)5(14,15)16",BCLQALQSEBVVAD-UHFFFAOYSA-N,C6F12O2,332.04,331.9706672,4.1,26.3,380,0,0,14,4,20,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"PHOSPHORODITHIOIC ACID, O,O-BIS(2-METHYLPROPYL) ESTER",002253-52-3,75261,bis(2-methylpropoxy)-sulfanyl-sulfanylidene-lambda5-phosphane,CC(C)COP(=S)(OCC(C)C)S,"InChI=1S/C8H19O2PS2/c1-7(2)5-9-11(12,13)10-6-8(3)4/h7-8H,5-6H2,1-4H3,(H,12,13)",SYFIMIPHNTZHIN-UHFFFAOYSA-N,C8H19O2PS2,242.3,242.0564092,4.3,51.6,167,0,1,4,6,13,,,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,1,0,0,0
CHLORINE MONOXIDE,007791-21-1,24646,chloro hypochlorite,O(Cl)Cl,InChI=1S/Cl2O/c1-3-2,RCJVRSBWZCNNQT-UHFFFAOYSA-N,Cl2O,86.9,85.93262,1.6,9.2,2,0,0,1,0,3,,2.2 °C,1,0,0,0,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,0
"SULFURIC ACID, RHODIUM(3+) SALT (3:2)",010489-46-0,159290,bis(rhodium(3+));trisulfate,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Rh+3].[Rh+3],"InChI=1S/3H2O4S.2Rh/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+3/p-6",YWFDDXXMOPZFFM-UHFFFAOYSA-H,O12Rh2S3,494,493.66618,,266,62,0,0,12,0,17,,,1,0,0,0,0,0,1,1,0,0,1,1,0,0,0,0,1,0,0,1
CHLORAMIDE,010599-90-3,25423,,NCl,InChI=1S/ClH2N/c1-2/h2H2,QDHHCQZDFGDHMP-UHFFFAOYSA-N,ClH2N,51.47,50.9875768,0.1,26,2,0,1,1,0,2,,,0,0,0,0,0,0,1,1,0,0,0,1,0,0,0,0,1,0,1,1
"SULFUROUS ACID, MAGNESIUM SALT (2:1)",013774-25-9,10130272,magnesium hydrogen sulfite,OS(=O)[O-].OS(=O)[O-].[Mg+2],"InChI=1S/Mg.2H2O3S/c;2*1-4(2)3/h;2*(H2,1,2,3)/q+2;;/p-2",LPHFLPKXBKBHRW-UHFFFAOYSA-L,H2MgO6S2,186.45,185.9143218,,159,24,0,2,8,0,9,,,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0
(SP-4-1)TETRAKIS(CYANO-KAPPAC)AURATE(1-) POTASSIUM,014263-59-3,167038,potassium;gold(3+);tetracyanide,[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[Au+3],InChI=1S/4CN.Au.K/c4*1-2;;/q4*-1;+3;+1,NRTDAKURTMLAFN-UHFFFAOYSA-N,C4AuKN4,340.13,339.942573,,95.2,10,0,0,8,0,10,,,1,1,1,1,0,0,1,1,0,0,0,1,0,0,0,0,1,1,1,0
"PHOSPHONIC ACID, [[(PHOSPHONOMETHYL)IMINO]BIS[2,1-ETHANEDIYLNITRILOBIS(METHYLE",015827-60-8,85128,[bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid,C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O,"InChI=1S/C9H28N3O15P5/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)",DUYCTCQXNHFCSJ-UHFFFAOYSA-N,C9H28N3O15P5,573.2,573.0208522,-15.1,297,720,0,10,18,16,32,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"SILANE, DICHLORODECYLMETHYL-",018051-88-2,87434,dichloro-decyl-methylsilane,CCCCCCCCCC[Si](C)(Cl)Cl,"InChI=1S/C11H24Cl2Si/c1-3-4-5-6-7-8-9-10-11-14(2,12)13/h3-11H2,1-2H3",UFVFNJHZBMHRCO-UHFFFAOYSA-N,C11H24Cl2Si,255.3,254.1024327,,0,126,0,0,0,9,14,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"SILANE, DICHLORODIHEXYL-",018204-93-8,87510,dichloro(dihexyl)silane,CCCCCC[Si](CCCCCC)(Cl)Cl,"InChI=1S/C12H26Cl2Si/c1-3-5-7-9-11-15(13,14)12-10-8-6-4-2/h3-12H2,1-2H3",NRAYZPGATNMOSB-UHFFFAOYSA-N,C12H26Cl2Si,269.32,268.1180828,,0,124,0,0,0,10,15,,,0,1,1,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"ZIRCONIUM, CHLOROHYDROXYOXO-",018428-88-1,10176254,oxygen(2-);zirconium(4+);chloride;hydroxide,[OH-].[O-2].[Cl-].[Zr+4],InChI=1S/ClH.H2O.O.Zr/h1H;1H2;;/q;;-2;+4/p-2,ADGFKRMKSIAMAI-UHFFFAOYSA-L,ClHO2Zr,159.68,157.871206,,2,0,0,1,3,0,4,,,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0
"CARBONOCHLORIDIC ACID, 2-ETHYLHEXYL ESTER",024468-13-1,62783,2-ethylhexyl carbonochloridate,CCCCC(CC)COC(=O)Cl,"InChI=1S/C9H17ClO2/c1-3-5-6-8(4-2)7-12-9(10)11/h8H,3-7H2,1-2H3",RTGLJCSUKOLTEM-UHFFFAOYSA-N,C9H17ClO2,192.68,192.0917075,4.3,26.3,126,0,0,2,7,12,,,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0,0,1,1,0,0
"PHOSPHINIC CHLORIDE, (CHLOROMETHYL)METHYL-",026350-26-5,117780,chloro-[chloro(methyl)phosphoryl]methane,CP(=O)(CCl)Cl,"InChI=1S/C2H5Cl2OP/c1-6(4,5)2-3/h2H2,1H3",ZDXUZZVQABKQKW-UHFFFAOYSA-N,C2H5Cl2OP,146.94,145.9455072,0.9,17.1,81,0,0,1,1,6,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"TITANIUM, BIS(LACTATO)OXO-",034747-99-4,118182,bis(2-hydroxypropanoic acid);oxotitanium,CC(C(=O)O)O.CC(C(=O)O)O.O=[Ti],"InChI=1S/2C3H6O3.O.Ti/c2*1-2(4)3(5)6;;/h2*2,4H,1H3,(H,5,6);;",UDZFXNUPTYGCAQ-UHFFFAOYSA-N,C6H12O7Ti,244.02,244.0062434,,132,154,0,4,7,2,14,,,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0
ALUMINUM CHLORIDE HYDROXIDE SULFATE,039290-78-3,6336663,,[OH-].[O-]S(=O)(=O)[O-].[Al].[Cl-],"InChI=1S/Al.ClH.H2O4S.H2O/c;;1-5(2,3)4;/h;1H;(H2,1,2,3,4);1H2/p-4",QZLCBMPUYDLCRT-UHFFFAOYSA-J,AlClHO5S-4,175.51,174.9048604,,89.6,62,-4,1,6,0,8,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0
"PHOSPHORIC ACID, OCTYL ESTER",039407-03-9,21896147,octyl phosphate,CCCCCCCCOP(=O)([O-])[O-],"InChI=1S/C8H19O4P/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11)/p-2",WRKCIHRWQZQBOL-UHFFFAOYSA-L,C8H17O4P-2,208.19,208.086446,1.7,72.4,143,-2,0,4,7,13,,,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0
"PHOSPHONIC ACID, [1,6-HEXANEDIYLBIS[NITRILOBIS(METHYLENE)]]TETRAKIS-, SODIUM S",056744-47-9,162802,sodium [6-[bis(phosphonomethyl)amino]hexyl-(phosphonomethyl)amino]methylphosphonic acid,C(CCCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)O.[Na+],"InChI=1S/C10H28N2O12P4.Na/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);/q;+1",OTMVRSKBJZXYMF-UHFFFAOYSA-N,C10H28N2NaO12P4+,515.22,515.0490416,,237,547,1,8,14,15,29,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, RHODIUM(3+) SALT (1:1)",067859-71-6,163155,rhodium(3+) phosphate,[O-]P(=O)([O-])[O-].[Rh+3],"InChI=1S/H3O4P.Rh/c1-5(2,3)4;/h(H3,1,2,3,4);/q;+3/p-3",CDPPVBDJYWOMMV-UHFFFAOYSA-K,O4PRh,197.877,197.85891,,86.3,36,0,0,4,0,6,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
ALUMINIUM SODIUM TETRAHYDROXIDE,012251-53-5,166673,aluminum;sodium;tetrahydroxide,[OH-].[OH-].[OH-].[OH-].[Na+].[Al+3],InChI=1S/Al.Na.4H2O/h;;4*1H2/q+3;+1;;;;/p-4,SVEIXENKLWYGIZ-UHFFFAOYSA-J,AlH4NaO4,118.001,117.9822663,,4,0,0,4,4,0,6,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
SODIUM HYDROSULFIDE HYDRATE,207683-19-0,16211346,sodium;sulfanide;hydrate,O.[Na+].[SH-],InChI=1S/Na.H2O.H2S/h;2*1H2/q+1;;/p-1,ZNKXTIAQRUWLRL-UHFFFAOYSA-M,H3NaOS,74.08,73.98023017,,2,2,0,2,2,0,3,,,1,0,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
RUTHENIUM(III) CHLORIDE HYDRATE,014898-67-0,6093376,trichlororuthenium;hydrate,O.Cl[Ru](Cl)Cl,InChI=1S/3ClH.H2O.Ru/h3*1H;1H2;/q;;;;+3/p-3,BIXNGBXQRRXPLM-UHFFFAOYSA-K,Cl3H2ORu,225.4,224.821463,,1,8,0,1,1,0,5,,,1,0,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,0
ALUMINUM SULFATE HYDRATE,022337-62-8,3080712,dialuminum;trisulfate;hydrate,O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3],"InChI=1S/2Al.3H2O4S.H2O/c;;3*1-5(2,3)4;/h;;3*(H2,1,2,3,4);1H2/q2*+3;;;;/p-6",BUACSMWVFUNQET-UHFFFAOYSA-H,Al2H2O13S3,360.2,359.82883,,267,62,0,1,13,0,18,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0
IRIDIUM(IV) CHLORIDE HYDRATE,207399-11-9,16212119,tetrachloroiridium;hydrate,O.Cl[Ir](Cl)(Cl)Cl,InChI=1S/4ClH.Ir.H2O/h4*1H;;1H2/q;;;;+4;/p-4,KVDBPOWBLLYZRG-UHFFFAOYSA-J,Cl4H2IrO,352,352.84595,,1,19,0,1,1,0,6,,,0,0,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"ETHENESULFONIC ACID, SODIUM SALT, POLYMER WITH 2-PROPENENITRILE, HYDROLYZED",068512-21-0,62474,ethenesulfonic acid,C=CS(=O)(=O)O,"InChI=1S/C2H4O3S/c1-2-6(3,4)5/h2H,1H2,(H,3,4,5)",NLVXSWCKKBEXTG-UHFFFAOYSA-N,C2H4O3S,108.12,107.9881152,-0.4,62.8,125,0,1,3,1,6,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
SILVER CHLORIDE,007783-90-6,24561,chlorosilver,Cl[Ag],InChI=1S/Ag.ClH/h;1H/q+1;/p-1,HKZLPVFGJNLROG-UHFFFAOYSA-M,AgCl,143.32,141.87394,,0,2,0,0,0,0,2,,,1,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1
NITRILOTRIS(METHYLENE)TRISPHOSPHONIC ACID,006419-19-8,16698,[bis(phosphonomethyl)amino]methylphosphonic acid,C(N(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O,"InChI=1S/C3H12NO9P3/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)",YDONNITUKPKTIG-UHFFFAOYSA-N,C3H12NO9P3,299.05,298.972492,-7.2,176,305,0,6,10,6,16,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
HYDROXYLAMINE-15N HYDROCHLORIDE,040711-48-6,16213374,,[15NH2]O.Cl,"InChI=1S/ClH.H3NO/c;1-2/h1H;2H,1H2/i;1+1",WTDHULULXKLSOZ-IEOVAKBOSA-N,ClH4NO,70.48,69.9951763,,46.3,2,0,3,2,0,3,,,1,1,0,1,0,1,0,1,0,0,0,1,0,0,0,0,1,1,1,0
"IRON, [N-[2-[BIS(CARBOXYMETHYL)AMINO]ETHYL]-N-(2-HYDROXYETHYL)GLYCINATO(3-)]",017084-02-5,86938,2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate;iron(3+),C(CN(CC(=O)[O-])CC(=O)[O-])N(CCO)CC(=O)[O-].[Fe+3],"InChI=1S/C10H18N2O7.Fe/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19;/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19);/q;+3/p-3",YPFNIPKMNMDDDB-UHFFFAOYSA-K,C10H15FeN2O7,331.08,331.022861,,147,288,0,1,9,8,20,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"((BIS(2-(BIS(PHOSPHONOMETHYL)AMINO)ETHYL)AMINO)METHYL)PHOSPHONIC ACID, SODIUM SALT",022042-96-2,23692758,sodium [2-[2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methyl-hydroxyphosphinate,C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CCN(CP(=O)(O)O)CP(=O)(O)[O-])CP(=O)(O)O.[Na+],"InChI=1S/C9H28N3O15P5.Na/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);/q;+1/p-1",ODBPOHVSVJZQRX-UHFFFAOYSA-M,C9H27N3NaO15P5,595.18,595.0027964,,300,813,0,9,18,16,33,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"CARBONOCHLORIDIC ACID, HEXADECYL ESTER",026272-90-2,97633,hexadecyl carbonochloridate,CCCCCCCCCCCCCCCCOC(=O)Cl,"InChI=1S/C17H33ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17(18)19/h2-16H2,1H3",HOQUWXSARQBQCW-UHFFFAOYSA-N,C17H33ClO2,304.9,304.216908,8.8,26.3,207,0,0,2,16,20,,,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,1,0,0
"PHOSPHONIC ACID, [NITRILOTRIS(METHYLENE)]TRIS-, AMMONIUM SALT",034274-28-7,161809,"azanium 1-phosphonato-N,N-bis(phosphonatomethyl)methanamine",C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)([O-])[O-].[NH4+],"InChI=1S/C3H12NO9P3.H3N/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);1H3/p-5",QLBMTYBUHJKAQD-UHFFFAOYSA-I,C3H10N2O9P3-5,311.04,310.9599159,,194,271,-5,1,10,3,17,,,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0
"2-PROPYNE-1-SULFONIC ACID, SODIUM SALT",055947-46-1,23673600,sodium prop-2-yne-1-sulfonate,C#CCS(=O)(=O)[O-].[Na+],"InChI=1S/C3H4O3S.Na/c1-2-3-7(4,5)6;/h1H,3H2,(H,4,5,6);/q;+1/p-1",LDHXNOAOCJXPAH-UHFFFAOYSA-M,C3H3NaO3S,142.11,141.9700594,,65.6,178,0,0,3,1,8,,,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0
TETRASODIUM GLUTAMATE DIACETATE,051981-21-6,44630158,tetrasodium;(2S)-2-[bis(carboxylatomethyl)amino]pentanedioate,C(CC(=O)[O-])[C@@H](C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C9H13NO8.4Na/c11-6(12)2-1-5(9(17)18)10(3-7(13)14)4-8(15)16;;;;/h5H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18);;;;/q;4*+1/p-4/t5-;;;;/m0..../s1",UZVUJVFQFNHRSY-OUTKXMMCSA-J,C9H9NNa4O8,351.13,350.9918934,,164,314,0,0,9,5,22,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,1
2-ETHYLHEXANOYL CHLORIDE,000760-67-8,79103,2-ethylhexanoyl chloride,CCCCC(CC)C(=O)Cl,"InChI=1S/C8H15ClO/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3",WFSGQBNCVASPMW-UHFFFAOYSA-N,C8H15ClO,162.66,162.0811428,3.6,17.1,101,0,0,1,5,10,,,0,0,1,1,0,0,0,1,0,0,0,1,0,0,0,0,1,1,0,0
POTASSIUM CYANIDE,000151-50-8,9032,potassium cyanide,[C-]#N.[K+],InChI=1S/CN.K/c1-2;/q-1;+1,NNFCIKHAZHQZJG-UHFFFAOYSA-N,CKN,65.116,64.96678049,,23.8,12,0,0,2,0,3,"Not flammable (EPA, 1998)","Very high (USCG, 1999)",1,1,1,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,1,1
SODIUM CYANIDE,000143-33-9,8929,sodium cyanide,[C-]#N.[Na+],InChI=1S/CN.Na/c1-2;/q-1;+1,MNWBNISUBARLIT-UHFFFAOYSA-N,CNNa,49.007,48.99284329,,23.8,12,0,0,2,0,3,"Not combustible (EPA, 1998)","2725 °F at 760 mmHg (EPA, 1998)",1,1,1,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,1,0
"TETRAMETHYLAMMONIUM HYDROXIDE, PENTAHYDRATE",010424-65-4,82620,tetramethylazanium;hydroxide;pentahydrate,C[N+](C)(C)C.O.O.O.O.O.[OH-],"InChI=1S/C4H12N.6H2O/c1-5(2,3)4;;;;;;/h1-4H3;6*1H2/q+1;;;;;;/p-1",MYXKPFMQWULLOH-UHFFFAOYSA-M,C4H23NO6,181.23,181.1525375,,6,19,0,6,6,0,11,,,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0
METHANESULFONYL CHLORIDE,000124-63-0,31297,methanesulfonyl chloride,CS(=O)(=O)Cl,"InChI=1S/CH3ClO2S/c1-5(2,3)4/h1H3",QARBMVPHQWIHKH-UHFFFAOYSA-N,CH3ClO2S,114.55,113.9542282,0.4,42.5,95,0,0,2,0,5,>110 °C,62 °C at 18 mm Hg; 161 °C at 730 mm Hg,0,1,1,1,0,0,1,1,0,0,0,1,0,0,0,0,1,1,0,1
"ACETIC ACID, MERCAPTO-, COMPD. WITH 2-AMINOETHANOL (1:1)",000126-97-6,160430,2-aminoethanol;2-sulfanylacetic acid,C(CO)N.C(C(=O)O)S,"InChI=1S/C2H7NO.C2H4O2S/c3-1-2-4;3-2(4)1-5/h4H,1-3H2;5H,1H2,(H,3,4)",XTJCJAPNPGGFED-UHFFFAOYSA-N,C4H11NO3S,153.2,153.0459644,,84.6,52,0,4,5,2,9,,,0,0,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,1,0,0
"ACETIC ACID, MERCAPTO-, CALCIUM SALT (1:1)",029820-13-1,22039,calcium 2-sulfidoacetate,C(C(=O)[O-])[S-].[Ca+2],"InChI=1S/C2H4O2S.Ca/c3-2(4)1-5;/h5H,1H2,(H,3,4);/q;+2/p-2",QVCFQEFEMBCIOI-UHFFFAOYSA-L,C2H2CaO2S,130.18,129.9401413,,41.1,37,0,0,3,0,6,,,0,0,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,1,0,1
"FERRIC SULFATE, ANHYDROUS",010028-22-5,24826,bis(iron(3+));trisulfate,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Fe+3].[Fe+3],"InChI=1S/2Fe.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",RUTXIHLAWFEWGM-UHFFFAOYSA-H,Fe2O12S3,399.9,399.72506,,266,62,0,0,12,0,17,,The Anhydrous form decomposes (480ºC),0,0,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,1,0,1
"FERRIC CHLORIDE, HEXAHYDRATE",010025-77-1,6093258,iron(3+);trichloride;hexahydrate,O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Fe+3],InChI=1S/3ClH.Fe.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3,NQXWGWZJXJUMQB-UHFFFAOYSA-K,Cl3FeH12O6,270.29,268.904882,,6,0,0,6,9,0,10,,,0,0,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,0
IRON(II) CHLORIDE,007758-94-3,24458,dichloroiron,Cl[Fe]Cl,InChI=1S/2ClH.Fe/h2*1H;/q;;+2/p-2,NMCUIPGRVMDVDB-UHFFFAOYSA-L,Cl2Fe,126.75,125.872641,,0,2,0,0,0,0,3,,1023 °C,0,0,0,1,0,0,1,1,0,0,0,1,0,0,0,0,0,1,0,0
"2-HYDROXY-1,2,3-PROPANETRICARBOXYLIC ACID, NICKEL(2+) SALT (2:3)",006018-92-4,165394,"bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(nickel(2+))",C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Ni+2].[Ni+2].[Ni+2],"InChI=1S/2C6H8O7.3Ni/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6",UPPLJLAHMKABPR-UHFFFAOYSA-H,C12H10Ni3O14,554.28,553.808523,,281,211,0,2,14,4,29,,,1,0,0,1,0,1,1,1,0,0,1,1,0,1,1,0,0,1,1,0
ZIRCONIUM TETRACHLORIDE,010026-11-6,24817,tetrachlorozirconium,Cl[Zr](Cl)(Cl)Cl,InChI=1S/4ClH.Zr/h4*1H;/q;;;;+4/p-4,DUNKXUFBGCUVQW-UHFFFAOYSA-J,Cl4Zr,233,231.777159,,0,19,0,0,0,0,5,,,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1,0,1,1,0,0
HYPOPHOSPHOROUS ACID,006303-21-5,4124402,phosphinic acid,O[PH2]=O,"InChI=1S/H3O2P/c1-3-2/h3H2,(H,1,2)",ACVYVLVWPXVTIT-UHFFFAOYSA-N,H3O2P,65.996,65.98706633,-1.1,37.3,10,0,1,2,0,3,,Decomposes upon heating >133 °C,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
CHLOROAURIC ACID,016903-35-8,122706823,gold(3+);hydron;tetrachloride,[H+].[Cl-].[Cl-].[Cl-].[Cl-].[Au+3],InChI=1S/Au.4ClH/h;4*1H/q+3;;;;/p-3,VDLSFRRYNGEBEJ-UHFFFAOYSA-K,AuCl4H,339.8,339.846856,,0,0,0,1,4,0,5,,,0,0,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,1,1,0
STEAROYL CHLORIDE,000112-76-5,8212,octadecanoyl chloride,CCCCCCCCCCCCCCCCCC(=O)Cl,"InChI=1S/C18H35ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3",WTBAHSZERDXKKZ-UHFFFAOYSA-N,C18H35ClO,302.9,302.2376434,8.4,17.1,204,0,0,1,16,20,,215 °C @ 15 MM HG,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,1,0,0
"Phosphonic acid, (4-amino-1-hydroxybutylidene)bis-",066376-36-1,2088,(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid,C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN,"InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)",OGSPWJRAVKPPFI-UHFFFAOYSA-N,C4H13NO7P2,249.1,249.0167258,-6.5,161,257,0,6,8,5,14,,,0,0,0,1,0,0,0,1,0,0,0,1,0,1,0,0,1,0,0,1
TIN(II) FLUORIDE,007783-47-3,24550,difluorotin,F[Sn]F,InChI=1S/2FH.Sn/h2*1H;/q;;+2/p-2,ANOBYBYXJXCGBS-UHFFFAOYSA-L,F2Sn,156.71,157.899009,,0,2,0,0,2,0,3,,"1052 °F at 760 mmHg (USCG, 1999)",0,0,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,0
TRIFLUOROMETHANESULFONIC ACID,001493-13-6,62406,trifluoromethanesulfonic acid,C(F)(F)(F)S(=O)(=O)O,"InChI=1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)",ITMCEJHCFYSIIV-UHFFFAOYSA-N,CHF3O3S,150.08,149.9598496,0.3,62.8,158,0,1,6,0,8,,,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,1
ALUMINUM SULFATE OCTADECAHYDRATE,007784-31-8,22377415,dialuminum;trisulfate;octadecahydrate,O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3],"InChI=1S/2Al.3H2O4S.18H2O/c;;3*1-5(2,3)4;;;;;;;;;;;;;;;;;;/h;;3*(H2,1,2,3,4);18*1H2/q2*+3;;;;;;;;;;;;;;;;;;;;;/p-6",AMVQGJHFDJVOOB-UHFFFAOYSA-H,Al2H36O30S3,666.4,666.00843,,284,62,0,18,30,0,35,,,0,0,0,0,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0
MERCAPTOACETIC ACID MONOAMMONIUM SALT,005421-46-5,21534,azanium 2-sulfanylacetate,C(C(=O)[O-])S.[NH4+],"InChI=1S/C2H4O2S.H3N/c3-2(4)1-5;/h5H,1H2,(H,3,4);1H3",ZZTCCAPMZLDHFM-UHFFFAOYSA-N,C2H7NO2S,109.15,109.0197496,,42.1,37,0,2,3,0,6,,,0,0,0,1,0,0,1,0,0,0,0,1,0,0,0,0,0,1,0,0
HYDROXYLAMINE SULFATE,010039-54-0,24846,hydroxyazanium;sulfate,[NH3+]O.[NH3+]O.[O-]S(=O)(=O)[O-],"InChI=1S/2H4NO.H2O4S/c2*1-2;1-5(2,3)4/h2*2H,1H3;(H2,1,2,3,4)/q2*+1;/p-2",VGYYSIDKAKXZEE-UHFFFAOYSA-L,H8N2O6S,164.14,164.0103072,,184,64,0,4,6,0,9,,,1,1,0,1,0,1,0,1,0,0,0,1,0,0,0,0,1,1,1,0
"CARBAMODITHIOIC ACID, METHYL-, MONOAMMONIUM SALT",039680-90-5,3036568,azanium N-methylcarbamodithioate,CNC(=S)[S-].[NH4+],"InChI=1S/C2H5NS2.H3N/c1-3-2(4)5;/h1H3,(H2,3,4,5);1H3",LVYAMPSKHSIFNV-UHFFFAOYSA-N,C2H8N2S2,124.23,124.0128906,,46.1,37,0,2,2,0,6,,,1,0,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,1,0,0
GOLD CYANIDE,000506-65-0,68172,gold(1+) cyanide,[C-]#N.[Au+],InChI=1S/CN.Au/c1-2;/q-1;+1,IZLAVFWQHMDDGK-UHFFFAOYSA-N,CAuN,222.984,222.969644,,23.8,12,0,0,2,0,3,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
MERCURIC IODIDE,007774-29-0,24485,diiodomercury,I[Hg]I,InChI=1S/Hg.2HI/h;2*1H/q+2;;/p-2,YFDLHELOZYVNJE-UHFFFAOYSA-L,HgI2,454.4,455.77959,,0,2,0,0,0,0,3,,350 °C,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
DISULFOTON,000298-04-4,3118,diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-lambda5-phosphane,CCOP(=S)(OCC)SCCSCC,"InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3",DOFZAZXDOSGAJZ-UHFFFAOYSA-N,C8H19O2PS3,274.4,274.0284804,4,101,168,0,0,5,9,14,"greater than 180 °F (NIOSH, 2024)","270 to 271 °F at 1.5 mmHg (EPA, 1998)",1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
MECHLORETHAMINE,000051-75-2,4033,2-chloro-N-(2-chloroethyl)-N-methylethanamine,CN(CCCl)CCCl,"InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3",HAWPXGHAZFHHAD-UHFFFAOYSA-N,C5H11Cl2N,156.05,155.0268547,0.9,3.2,43,0,0,1,4,8,,"189 °F at 18 mmHg (EPA, 1998)",0,1,1,1,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,1
TEPP,000107-49-3,7873,diethoxyphosphoryl diethyl phosphate,CCOP(=O)(OCC)OP(=O)(OCC)OCC,"InChI=1S/C8H20O7P2/c1-5-11-16(9,12-6-2)15-17(10,13-7-3)14-8-4/h5-8H2,1-4H3",IDCBOTIENDVCBQ-UHFFFAOYSA-N,C8H20O7P2,290.19,290.068427,0.4,80.3,246,0,0,7,10,17,>110 °C c.c.,"280 °F at 2.3 mmHg (EPA, 1998)",1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CADMIUM CYANIDE,000542-83-6,68335,cadmium(2+) dicyanide,[C-]#N.[C-]#N.[Cd+2],InChI=1S/2CN.Cd/c2*1-2;/q2*-1;+2,NHMJUOSYSOOPDM-UHFFFAOYSA-N,C2CdN2,164.45,165.909513,,47.6,10,0,0,4,0,5,,,1,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
MERCURIC ACETATE,001600-27-7,15337,mercury(2+) diacetate,CC(=O)[O-].CC(=O)[O-].[Hg+2],"InChI=1S/2C2H4O2.Hg/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",BRMYZIKAHFEUFJ-UHFFFAOYSA-L,C4H6HgO4,318.68,319.997252,,80.3,25,0,0,4,0,9,,"Decomposes (EPA, 1998)",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
MERCURIC BROMIDE,007789-47-1,24612,dibromomercury,Br[Hg]Br,InChI=1S/2BrH.Hg/h2*1H;/q;;+2/p-2,NGYIMTKLQULBOO-UHFFFAOYSA-L,Br2Hg,360.4,361.80527,,0,2,0,0,0,0,3,,322 °C,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
MERCURIC THIOCYANATE,000592-85-8,11615,mercury(2+) dithiocyanate,C(#N)[S-].C(#N)[S-].[Hg+2],InChI=1S/2CHNS.Hg/c2*2-1-3;/h2*3H;/q;;+2/p-2,GBZANUMDJPCQHY-UHFFFAOYSA-L,C2HgN2S2,316.8,317.920934,,49.6,31,0,0,4,0,7,"greater than 250 °F (USCG, 1999)","Decomposes about 329.0 °F (USCG, 1999)",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
THALLIUM(I) CHLORIDE,007791-12-0,24642,chlorothallium,Cl[Tl],InChI=1S/ClH.Tl/h1H;/q;+1/p-1,GBECUEIQVRDUKB-UHFFFAOYSA-M,ClTl,239.83,239.94328,,0,2,0,0,0,0,2,,"1328 °F at 760 mmHg (EPA, 1998)",0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
PEPSTATIN A,026305-03-3,5478883,"(3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid",C[C@@H](C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)O)O)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O,"InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1",FAXGPCHRFPCXOO-LXTPJMTPSA-N,C34H63N5O9,685.9,685.4625786,3,223,1060,0,8,9,22,48,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIISOPROPYL FLUOROPHOSPHATE,000055-91-4,5936,2-[fluoro(propan-2-yloxy)phosphoryl]oxypropane,CC(C)OP(=O)(OC(C)C)F,"InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3",MUCZHBLJLSDCSD-UHFFFAOYSA-N,C6H14FO3P,184.15,184.0664595,1.2,35.5,144,0,0,4,4,11,,"144 °F at 9 mmHg (EPA, 1998)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
THIONYL FLUORIDE,007783-42-8,24548,,O=S(F)F,InChI=1S/F2OS/c1-4(2)3,LSJNBGSOIVSBBR-UHFFFAOYSA-N,F2OS,86.06,85.96379212,0.5,36.3,29,0,0,4,0,4,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
2-IODOETHANOL,000624-76-0,12225,2-iodoethanol,C(CI)O,"InChI=1S/C2H5IO/c3-1-2-4/h4H,1-2H2",QSECPQCFCWVBKM-UHFFFAOYSA-N,C2H5IO,171.96,171.93851,0.6,20.2,10,0,1,1,1,4,,,0,1,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
THALLIUM BROMIDE,007789-40-4,62677,bromothallium,Br[Tl],InChI=1S/BrH.Tl/h1H;/q;+1/p-1,PGAPATLGJSQQBU-UHFFFAOYSA-M,BrTl,284.29,283.89276,,0,2,0,0,0,0,2,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
THALLIUM(I) IODIDE,007790-30-9,62679,iodothallium,I[Tl],InChI=1S/HI.Tl/h1H;/q;+1/p-1,CMJCEVKJYRZMIA-UHFFFAOYSA-M,ITl,331.288,331.8789,,0,2,0,0,0,0,2,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
TRIETHYLTIN BROMIDE,002767-54-6,17701,bromo(triethyl)stannane,CC[Sn](CC)(CC)Br,"InChI=1S/3C2H5.BrH.Sn/c3*1-2;;/h3*1H2,2H3;1H;/q;;;;+1/p-1",KQPIFPBKXYBDGV-UHFFFAOYSA-M,C6H15BrSn,285.8,285.93792,,0,51,0,0,0,3,8,"210 °F (NTP, 1992)","435 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
THALLIC TRIFLUOROACETATE,023586-53-0,90200,"thallium(3+);tris(2,2,2-trifluoroacetate)",C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Tl+3],"InChI=1S/3C2HF3O2.Tl/c3*3-2(4,5)1(6)7;/h3*(H,6,7);/q;;;+3/p-3",PSHNNUKOUQCMSG-UHFFFAOYSA-K,C6F9O6Tl,543.43,543.92954,,120,77,0,0,15,0,22,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"1,6-DIBROMOHEXANE",000629-03-8,12368,"1,6-dibromohexane",C(CCCBr)CCBr,InChI=1S/C6H12Br2/c7-5-3-1-2-4-6-8/h1-6H2,SGRHVVLXEBNBDV-UHFFFAOYSA-N,C6H12Br2,243.97,243.92853,3.2,0,31,0,0,0,5,8,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
LITHIUM AZIDE,019597-69-4,88163,lithium azide,[Li+].[N-]=[N+]=[N-],InChI=1S/Li.N3/c;1-3-2/q+1;-1,GUWHRJQTTVADPB-UHFFFAOYSA-N,LiN3,49,49.02522545,,3,15,0,0,2,0,4,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MERCURY(II) SILVER IODIDE,007784-03-4,9941088,disilver;mercury(2+);tetraiodide,[Ag+].[Ag+].[I-].[I-].[I-].[I-].[Hg+2],InChI=1S/2Ag.Hg.4HI/h;;;4*1H/q2*+1;+2;;;;/p-4,YNTJRFXPYRRRKS-UHFFFAOYSA-J,Ag2HgI4,923.95,925.3984,,0,0,0,0,4,0,7,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
MOLYBDENUM HEXACARBONYL,013939-06-5,2724068,carbon monoxide;molybdenum,[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo],InChI=1S/6CO.Mo/c6*1-2;,KMKBZNSIJQWHJA-UHFFFAOYSA-N,C6MoO6,264.01,265.874891,,6,10,0,0,6,0,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MERCURIC TRIFLUOROACETATE,013257-51-7,2723924,"mercury(2+);bis(2,2,2-trifluoroacetate)",C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Hg+2],"InChI=1S/2C2HF3O2.Hg/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2",WMHOESUUCMEQMS-UHFFFAOYSA-L,C4F6HgO4,426.62,427.940721,,80.3,77,0,0,10,0,15,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"1,7-DIBROMOHEPTANE",004549-31-9,78309,"1,7-dibromoheptane",C(CCCBr)CCCBr,InChI=1S/C7H14Br2/c8-6-4-2-1-3-5-7-9/h1-7H2,LVWSZGCVEZRFBT-UHFFFAOYSA-N,C7H14Br2,257.99,257.94418,3.7,0,40,0,0,0,6,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
THALLIUM(I) HYDROXIDE,012026-06-1,160963,thallium(1+) hydroxide,[OH-].[Tl+],InChI=1S/H2O.Tl/h1H2;/q;+1/p-1,QGYXCSSUHCHXHB-UHFFFAOYSA-M,HOTl,221.391,221.97717,,1,0,0,1,1,0,2,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
4-METHYLTHIOSEMICARBAZIDE,006610-29-3,2723853,1-amino-3-methylthiourea,CNC(=S)NN,"InChI=1S/C2H7N3S/c1-4-2(6)5-3/h3H2,1H3,(H2,4,5,6)",PTVZQOAHCSKAAS-UHFFFAOYSA-N,C2H7N3S,105.17,105.0360684,-0.8,82.2,52,0,3,2,0,6,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRABUTYLLEAD,001920-90-7,15978,tetrabutylplumbane,CCCC[Pb](CCCC)(CCCC)CCCC,"InChI=1S/4C4H9.Pb/c4*1-3-4-2;/h4*1,3-4H2,2H3;",KDQHJGWPOQNCMI-UHFFFAOYSA-N,C16H36Pb,435,436.25835,,0,116,0,0,0,12,17,,,1,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
THALLIUM(I) FLUORIDE,007789-27-7,62675,fluorothallium,F[Tl],InChI=1S/FH.Tl/h1H;/q;+1/p-1,CULOEOTWMUCRSJ-UHFFFAOYSA-M,FTl,223.382,223.97283,,0,2,0,0,1,0,2,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
ALDOXYCARB,001646-88-4,15438,[(2-methyl-2-methylsulfonylpropylidene)amino] N-methylcarbamate,CC(C)(C=NOC(=O)NC)S(=O)(=O)C,"InChI=1S/C7H14N2O4S/c1-7(2,14(4,11)12)5-9-13-6(10)8-3/h5H,1-4H3,(H,8,10)",YRRKLBAKDXSTNC-UHFFFAOYSA-N,C7H14N2O4S,222.26,222.0674281,-0.6,93.2,326,0,1,5,4,14,,,1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
THALLIUM (I) ETHOXIDE,020398-06-5,16211297,,CCO.[Tl],"InChI=1S/C2H6O.Tl/c1-2-3;/h3H,2H2,1H3;",ZWYFUZVIDNRFQU-UHFFFAOYSA-N,C2H6OTl,250.45,251.01629,,20.2,2,0,1,1,0,4,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
SELENIUM DISULFIDE,007488-56-4,24087,,S=[Se]=S,InChI=1S/S2Se/c1-3-2,JNMWHTHYDQTDQZ-UHFFFAOYSA-N,S2Se,143.1,143.86066,,64.2,18,0,0,2,0,3,,"Decomposes (NTP, 1992)",1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
METHAMIDOPHOS,010265-92-6,4096,[amino(methylsulfanyl)phosphoryl]oxymethane,COP(=O)(N)SC,"InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)",NNKVPIKMPCQWCG-UHFFFAOYSA-N,C2H8NO2PS,141.13,141.0013367,-0.9,77.6,95,0,1,4,2,7,,"Decomposes (EPA, 1998)",1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PHOSDRIN,000298-01-1,5355863,methyl (E)-3-dimethoxyphosphoryloxybut-2-enoate,C/C(=C\C(=O)OC)/OP(=O)(OC)OC,"InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5+",GEPDYQSQVLXLEU-AATRIKPKSA-N,C7H13O6P,224.15,224.0449751,1.2,71.1,263,0,0,6,6,14,,,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-AMINOCROTONONITRILE,001118-61-2,70699,3-aminobut-2-enenitrile,CC(=CC#N)N,"InChI=1S/C4H6N2/c1-4(6)2-3-5/h2H,6H2,1H3",DELJOESCKJGFML-UHFFFAOYSA-N,C4H6N2,82.1,82.0530982,-0.1,49.8,104,0,1,2,0,6,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
METHYLMERCURY IODIDE,000143-36-2,67347,iodo(methyl)mercury,C[Hg]I,InChI=1S/CH3.Hg.HI/h1H3;;1H/q;+1;/p-1,JVDIOYBHEYUIBM-UHFFFAOYSA-M,CH3HgI,342.53,343.89859,,0,4,0,0,0,0,3,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
MERCURY AMMONIATED,010124-48-8,3032553,azanide;mercury(2+);chloride,[NH2-].[Cl-].[Hg+2],InChI=1S/ClH.Hg.H2N/h1H;;1H2/q;+2;-1/p-1,WRWRKDRWMURIBI-UHFFFAOYSA-M,ClH2HgN,252.07,252.95822,,1,0,0,1,2,0,3,,Sublimes,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
TRIS(2-CHLOROETHYL)AMINE HYDROCHLORIDE,000817-09-4,61220,"2-chloro-N,N-bis(2-chloroethyl)ethanamine;hydrochloride",C(CCl)N(CCCl)CCCl.Cl,InChI=1S/C6H12Cl3N.ClH/c7-1-4-10(5-2-8)6-3-9;/h1-6H2;1H,VEAUDLLZYJVHRI-UHFFFAOYSA-N,C6H13Cl4N,241,240.97726,,3.2,55,0,1,1,6,11,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0
BIS(2-CHLOROETHYL) SULFIDE,000505-60-2,10461,1-chloro-2-(2-chloroethylsulfanyl)ethane,C(CCl)SCCCl,InChI=1S/C4H8Cl2S/c5-1-3-7-4-2-6/h1-4H2,QKSKPIVNLNLAAV-UHFFFAOYSA-N,C4H8Cl2S,159.08,157.9723768,2.1,25.3,28,0,0,1,4,7,"221 °F (EPA, 1998)","419 to 423 °F at 760 mmHg (EPA, 1998)",0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM TRIFLUOROACETATE,002923-18-4,517019,"sodium 2,2,2-trifluoroacetate",C(=O)(C(F)(F)F)[O-].[Na+],"InChI=1S/C2HF3O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1",UYCAUPASBSROMS-UHFFFAOYSA-M,C2F3NaO2,136,135.974808,,40.1,87,0,0,5,0,8,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM TRIFLUOROACETATE,002923-16-2,23662811,"potassium 2,2,2-trifluoroacetate",C(=O)(C(F)(F)F)[O-].[K+],"InChI=1S/C2HF3O2.K/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1",CUNPJFGIODEJLQ-UHFFFAOYSA-M,C2F3KO2,152.11,151.9487452,,40.1,87,0,0,5,0,8,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CARBAMYLCHOLINE CHLORIDE CRYSTALLINE,000051-83-2,5831,2-carbamoyloxyethyl(trimethyl)azanium chloride,C[N+](C)(C)CCOC(=O)N.[Cl-],"InChI=1S/C6H14N2O2.ClH/c1-8(2,3)4-5-10-6(7)9;/h4-5H2,1-3H3,(H-,7,9);1H",AIXAANGOTKPUOY-UHFFFAOYSA-N,C6H15ClN2O2,182.65,182.0822054,,52.3,117,0,1,3,4,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRABUTYLAMMONIUM CYANIDE,010442-39-4,165872,tetrabutylazanium cyanide,CCCC[N+](CCCC)(CCCC)CCCC.[C-]#N,"InChI=1S/C16H36N.CN/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2/h5-16H2,1-4H3;/q+1;-1",KRRBFUJMQBDDPR-UHFFFAOYSA-N,C17H36N2,268.5,268.2878492,,23.8,126,0,0,2,12,19,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
AMMONIUM TRIFLUOROACETATE,003336-58-1,2724268,"azanium 2,2,2-trifluoroacetate",C(=O)(C(F)(F)F)[O-].[NH4+],"InChI=1S/C2HF3O2.H3N/c3-2(4,5)1(6)7;/h(H,6,7);1H3",YCNIBOIOWCTRCL-UHFFFAOYSA-N,C2H4F3NO2,131.05,131.0194129,,41.1,77,0,1,5,0,8,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL-2-THIOUREA,000598-52-7,2723704,methylthiourea,CNC(=S)N,"InChI=1S/C2H6N2S/c1-4-2(3)5/h1H3,(H3,3,4,5)",KQJQICVXLJTWQD-UHFFFAOYSA-N,C2H6N2S,90.15,90.02516937,-0.7,70.1,42,0,2,1,0,5,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
IODOACETIC ACID ETHYL ESTER,000623-48-3,12183,ethyl 2-iodoacetate,CCOC(=O)CI,"InChI=1S/C4H7IO2/c1-2-7-4(6)3-5/h2-3H2,1H3",MFFXVVHUKRKXCI-UHFFFAOYSA-N,C4H7IO2,214,213.94908,1.2,26.3,62,0,0,2,3,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CARBONOTHIOIC DIHYDRAZIDE,002231-57-4,2724189,"1,3-diaminothiourea",C(=S)(NN)NN,"InChI=1S/CH6N4S/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6)",LJTFFORYSFGNCT-UHFFFAOYSA-N,CH6N4S,106.15,106.0313174,-1,108,45,0,4,3,0,6,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-BROMOPROPIONITRILE,002417-90-5,17020,3-bromopropanenitrile,C(CBr)C#N,InChI=1S/C3H4BrN/c4-2-1-3-5/h1-2H2,CQZIEDXCLQOOEH-UHFFFAOYSA-N,C3H4BrN,133.97,132.95271,0.7,23.8,51,0,0,1,1,5,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TRIFLUOROACETIC ACID, LITHIUM SALT",002923-17-3,23661853,"lithium 2,2,2-trifluoroacetate",[Li+].C(=O)(C(F)(F)F)[O-],"InChI=1S/C2HF3O2.Li/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1",HSFDLPWPRRSVSM-UHFFFAOYSA-M,C2F3LiO2,120,120.0010422,,40.1,87,0,0,5,0,8,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MERCURY(I) SULFATE,007783-36-0,24545,bis(mercury(1+));sulfate,[O-]S(=O)(=O)[O-].[Hg+].[Hg+],"InChI=1S/2Hg.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",MINVSWONZWKMDC-UHFFFAOYSA-L,Hg2O4S,497.25,497.8907,,88.6,62,0,0,4,0,7,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,2-DIFLUORO-2-(FLUOROSULFONYL)ACETIC ACID",001717-59-5,2737516,"2,2-difluoro-2-fluorosulfonylacetic acid",C(=O)(C(F)(F)S(=O)(=O)F)O,"InChI=1S/C2HF3O4S/c3-2(4,1(6)7)10(5,8)9/h(H,6,7)",VYDQUABHDFWIIX-UHFFFAOYSA-N,C2HF3O4S,178.09,177.9547642,0.5,79.8,236,0,1,7,2,10,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,1,3,3-PROPANETETRACARBONITRILE",003695-98-5,77282,"propane-1,1,3,3-tetracarbonitrile",C(C(C#N)C#N)C(C#N)C#N,"InChI=1S/C7H4N4/c8-2-6(3-9)1-7(4-10)5-11/h6-7H,1H2",QHNAZGXMVZNHLI-UHFFFAOYSA-N,C7H4N4,144.13,144.0435961,-0.1,95.2,252,0,0,4,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BROMOETHANOL (1,1,2,2-D4)",081764-55-8,12359290,"2-bromo-1,1,2,2-tetradeuterioethanol",[2H]C([2H])(C([2H])([2H])Br)O,"InChI=1S/C2H5BrO/c3-1-2-4/h4H,1-2H2/i1D2,2D2",LDLCZOVUSADOIV-LNLMKGTHSA-N,C2H5BrO,128.99,127.97748,0.2,20.2,10,0,1,1,1,4,,,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0
COPPER(I) CYANIDE-15N,204571-13-1,17749156,(15N)azanylidynemethane;copper(1+),[C-]#[15N].[Cu+],InChI=1S/CN.Cu/c1-2;/q-1;+1/i2+1;,DOBRDRYODQBAMW-CGOMOMTCSA-N,CCuN,90.56,89.929706,,23.8,10,0,0,2,0,3,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,1'-(METHYLENEBIS(SULPHONYL))DIETHYLENE",003278-22-6,76764,1-(ethenylsulfonylmethylsulfonyl)ethene,C=CS(=O)(=O)CS(=O)(=O)C=C,"InChI=1S/C5H8O4S2/c1-3-10(6,7)5-11(8,9)4-2/h3-4H,1-2,5H2",IJHIIHORMWQZRQ-UHFFFAOYSA-N,C5H8O4S2,196.2,195.9864011,0.1,85,299,0,0,4,4,11,,,1,1,1,1,0,0,1,1,0,0,1,0,0,0,1,0,1,1,0,0
ETHYL BROMOACETATE-2-13C,085539-84-0,10964902,ethyl 2-bromoacetate,CCOC(=O)[13CH2]Br,"InChI=1S/C4H7BrO2/c1-2-7-4(6)3-5/h2-3H2,1H3/i3+1",PQJJJMRNHATNKG-LBPDFUHNSA-N,C4H7BrO2,167.99,166.9663,1.3,26.3,62,0,0,2,3,7,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
OCTAMETHYLDIPHOSPHORAMIDE,000152-16-9,9037,N-[bis(dimethylamino)phosphoryloxy-(dimethylamino)phosphoryl]-N-methylmethanamine,CN(C)P(=O)(N(C)C)OP(=O)(N(C)C)N(C)C,"InChI=1S/C8H24N4O3P2/c1-9(2)16(13,10(3)4)15-17(14,11(5)6)12(7)8/h1-8H3",SZKKRCSOSQAJDE-UHFFFAOYSA-N,C8H24N4O3P2,286.25,286.1323646,-0.3,56.3,288,0,0,7,6,17,,"248 to 257 °F at 0.5 mmHg (EPA, 1998)",0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BIS-CHLOROETHYL NITROSOUREA (BCNU),000154-93-8,2578,"1,3-bis(2-chloroethyl)-1-nitrosourea",C(CCl)NC(=O)N(CCCl)N=O,"InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)",DLGOEMSEDOSKAD-UHFFFAOYSA-N,C5H9Cl2N3O2,214.05,213.0071819,1.5,61.8,156,0,1,3,4,12,,,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"CARBONOCHLORIDIC ACID, TRICHLOROMETHYL ESTER",000503-38-8,10426,trichloromethyl carbonochloridate,C(=O)(OC(Cl)(Cl)Cl)Cl,"InChI=1S/C2Cl4O2/c3-1(7)8-2(4,5)6",HCUYBXPSSCRKRF-UHFFFAOYSA-N,C2Cl4O2,197.8,197.86229,3.1,26.3,94,0,0,2,1,8,,128 °C @ 760 MM HG,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,4-DITHIOBIURET",000541-53-7,2758725,carbamothioylthiourea,C(=S)(N)NC(=S)N,"InChI=1S/C2H5N3S2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)",JIRRNZWTWJGJCT-UHFFFAOYSA-N,C2H5N3S2,135.22,134.9924895,-0.6,128,87,0,3,2,0,7,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
METHANESULFONYL FLUORIDE,000558-25-8,11207,methanesulfonyl fluoride,CS(=O)(=O)F,"InChI=1S/CH3FO2S/c1-5(2,3)4/h1H3",KNWQLFOXPQZGPX-UHFFFAOYSA-N,CH3FO2S,98.1,97.98377867,0.1,42.5,95,0,0,3,0,5,,"255 °F at 760 mmHg (EPA, 1998)",0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PLUMBANE, ETHYLTRIMETHYL-",001762-26-1,15661,ethyl(trimethyl)plumbane,CC[Pb](C)(C)C,"InChI=1S/C2H5.3CH3.Pb/c1-2;;;;/h1H2,2H3;3*1H3;",KHQJREYATBQBHY-UHFFFAOYSA-N,C5H14Pb,281,282.0862,,0,33,0,0,0,1,6,,27 °C at 10.5 mm Hg,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"PLUMBANE, DIETHYLDIMETHYL-",001762-27-2,15662,diethyl(dimethyl)plumbane,CC[Pb](C)(C)CC,"InChI=1S/2C2H5.2CH3.Pb/c2*1-2;;;/h2*1H2,2H3;2*1H3;",OLOAJSHVLXNSQV-UHFFFAOYSA-N,C6H16Pb,295,296.10185,,0,42,0,0,0,2,7,"Depending on the specific mixture, flash points may vary from 30-141 °F. /Motor fuel anti-knock mixtures; Motor fuel anti-knock compounds/",51 °C at 13 mm Hg,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"PLUMBANE, TRIETHYLMETHYL-",001762-28-3,15663,triethyl(methyl)plumbane,CC[Pb](C)(CC)CC,"InChI=1S/3C2H5.CH3.Pb/c3*1-2;;/h3*1H2,2H3;1H3;",KGFRUGHBHNUHOS-UHFFFAOYSA-N,C7H18Pb,309,310.1175,,0,47,0,0,0,3,8,,70 °C at 15 mm Hg,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0
PALLADIUM CYANIDE (PD(CN)2),002035-66-7,74855,palladium(2+) dicyanide,[C-]#N.[C-]#N.[Pd+2],InChI=1S/2CN.Pd/c2*1-2;/q2*-1;+2,XDASSWBZWFFNPX-UHFFFAOYSA-N,C2N2Pd,158.45,157.90963,,47.6,31,0,0,4,0,5,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
OXYDISULFOTON,002497-07-6,17242,diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-lambda5-phosphane,CCOP(=S)(OCC)SCCS(=O)CC,"InChI=1S/C8H19O3PS3/c1-4-10-12(13,11-5-2)14-7-8-15(9)6-3/h4-8H2,1-3H3",UPUGLJYNCXXUQV-UHFFFAOYSA-N,C8H19O3PS3,290.4,290.023395,1.7,112,225,0,0,6,9,15,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHOROTHIOIC ACID, O,O-DIMETHYL-S-(2-METHYLTHIO)ETHYL ESTER",002587-90-8,17423,1-dimethoxyphosphorylsulfanyl-2-methylsulfanylethane,COP(=O)(OC)SCCSC,"InChI=1S/C5H13O3PS2/c1-7-9(6,8-2)11-5-4-10-3/h4-5H2,1-3H3",PSTWJANBJOHFQJ-UHFFFAOYSA-N,C5H13O3PS2,216.3,216.0043736,0.7,86.1,134,0,0,5,6,11,,"149 °F at 0.1 mmHg decomposes (EPA, 1998)",0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-HEXYNE-2,5-DIOL",003031-66-1,18198,"hex-3-yne-2,5-diol",CC(C#CC(C)O)O,"InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h5-8H,1-2H3",KDOWHHULNTXTNS-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,-0.3,40.5,105,0,2,2,0,8,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,0
"2-PROPENOIC ACID, TRIDECYL ESTER",003076-04-8,18316,tridecyl prop-2-enoate,CCCCCCCCCCCCCOC(=O)C=C,"InChI=1S/C16H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-16(17)4-2/h4H,2-3,5-15H2,1H3",XOALFFJGWSCQEO-UHFFFAOYSA-N,C16H30O2,254.41,254.2245802,6.7,26.3,199,0,0,2,14,18,132 °C (OPEN CUP),150 °C @ 10 MM HG,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"FORMALDEHYDE, OXIME, HYDROCHLORIDE",003473-11-8,20257314,N-methylidenehydroxylamine;hydrochloride,C=NO.Cl,"InChI=1S/CH3NO.ClH/c1-2-3;/h3H,1H2;1H",ZNGCJNWNSDXSQQ-UHFFFAOYSA-N,CH4ClNO,81.5,80.9981414,,32.6,12,0,2,2,0,4,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANENITRILE, 2-HYDROXY-2-METHYL-",004111-08-4,97823,2-hydroxy-2-methylbutanenitrile,CCC(C)(C#N)O,"InChI=1S/C5H9NO/c1-3-5(2,7)4-6/h7H,3H2,1-2H3",VMEHOTODTPXCKT-UHFFFAOYSA-N,C5H9NO,99.13,99.06841391,0.4,44,102,0,1,2,1,7,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
ARSENIC ACID HEMIHYDRATE,007774-41-6,202213,arsoric acid;hydrate,O.O[As](=O)(O)O.O[As](=O)(O)O,"InChI=1S/2AsH3O4.H2O/c2*2-1(3,4)5;/h2*(H3,2,3,4,5);1H2",IGZLSWCUPJLTLQ-UHFFFAOYSA-N,As2H8O9,301.9,301.86002,,157,49,0,7,9,0,11,,,0,0,0,1,0,1,0,1,0,0,0,0,0,1,0,0,0,0,1,1
NITROUS ACID,007782-77-6,24529,nitrous acid,N(=O)O,"InChI=1S/HNO2/c2-1-3/h(H,2,3)",IOVCWXUNBOPUCH-UHFFFAOYSA-N,HNO2,47.014,47.00072828,-0.3,49.7,10,0,1,3,0,3,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DIPOTASSIUM (T-4)-TETRAIODOMERCURATE(2-),007783-33-7,24542,dipotassium;tetraiodomercury(2-),[K+].[K+].I[Hg-2](I)(I)I,InChI=1S/Hg.4HI.2K/h;4*1H;;/q+2;;;;;2*+1/p-4,OPCMAZHMYZRPID-UHFFFAOYSA-J,HgI4K2,786.41,787.5159,,0,19,0,0,1,0,7,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
THALLIUM FLUORIDE (TLF3),007783-57-5,82214,trifluorothallane,F[Tl](F)F,InChI=1S/3FH.Tl/h3*1H;/q;;;+3/p-3,BOUDEKXATYHWHY-UHFFFAOYSA-K,F3Tl,261.379,261.96964,,0,8,0,0,3,0,4,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
COBALT CHLORIDE (COCL3),010241-04-0,66297,trichlorocobalt,Cl[Co](Cl)Cl,InChI=1S/3ClH.Co/h3*1H;/q;;;+3/p-3,IEKWPPTXWFKANS-UHFFFAOYSA-K,Cl3Co,165.29,163.839752,,0,8,0,0,0,0,4,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PARIS GREEN/CUPRIC ACETOARSENITE,012002-03-8,22833492,tetracopper;oxoarsinite;diacetate,CC(=O)[O-].CC(=O)[O-].[O-][As]=O.[O-][As]=O.[O-][As]=O.[O-][As]=O.[O-][As]=O.[O-][As]=O.[Cu+2].[Cu+2].[Cu+2].[Cu+2],"InChI=1S/2C2H4O2.6AsHO2.4Cu/c2*1-2(3)4;6*2-1-3;;;;/h2*1H3,(H,3,4);6*(H,2,3);;;;/q;;;;;;;;4*+2/p-8",HTSABAUNNZLCMN-UHFFFAOYSA-F,C4H6As6Cu4O16,1013.79,1013.21173,,321,33,0,0,16,0,30,,"Decomposes (EPA, 1998)",0,0,0,1,0,1,0,1,0,0,0,0,0,1,0,0,0,0,1,1
PHOSPHAMIDON,013171-21-6,25750,[3-chloro-4-(diethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate,CCN(CC)C(=O)C(=C(C)OP(=O)(OC)OC)Cl,"InChI=1S/C10H19ClNO5P/c1-6-12(7-2)10(13)9(11)8(3)17-18(14,15-4)16-5/h6-7H2,1-5H3",RGCLLPNLLBQHPF-UHFFFAOYSA-N,C10H19ClNO5P,299.69,299.0689374,1.3,65.1,359,0,0,5,7,18,"greater than 200 °F (NTP, 1992)","324 °F at 1.5 mmHg (EPA, 1998)",1,1,0,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0
"VANADATE (VO31-), MAGNESIUM (2:1)",013573-13-2,166851,dimagnesium;heptakis(oxygen(2-));bis(vanadium),[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Mg+2].[Mg+2].[V].[V],InChI=1S/2Mg.7O.2V/q2*+2;7*-2;;,AILHLQDLZVZNPS-UHFFFAOYSA-N,Mg2O7V2-10,262.49,261.822401,,7,0,-10,0,7,0,11,,,0,0,1,1,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,1
"VANADATE (VO31-), POTASSIUM",013769-43-2,4571336,potassium oxido(dioxo)vanadium,[O-][V](=O)=O.[K+],InChI=1S/K.3O.V/q+1;;;-1;,BQFYGYJPBUKISI-UHFFFAOYSA-N,KO3V,138.038,137.892408,,57.2,49,0,0,3,0,5,,,0,1,1,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,1
BIS(CYANO-C)AURATE(1-) SODIUM,015280-09-8,167274,sodium;gold(1+);dicyanide,[C-]#N.[C-]#N.[Na+].[Au+],InChI=1S/2CN.Au.Na/c2*1-2;;/q2*-1;2*+1,VMDSWYDTKFSTQH-UHFFFAOYSA-N,C2AuN2Na,271.99,271.962487,,47.6,10,0,0,4,0,6,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
METHYLMERCURY(1+) ION,022967-92-6,6860,methylmercury(1+),C[Hg+],InChI=1S/CH3.Hg/h1H3;/q;+1,DBUXSCUEGJMZAE-UHFFFAOYSA-N,CH3Hg+,215.63,216.994119,,0,2,1,0,0,0,2,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
CHLORMEPHOS,024934-91-6,32739,chloromethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane,CCOP(=S)(OCC)SCCl,"InChI=1S/C5H12ClO2PS2/c1-3-7-9(10,8-4-2)11-5-6/h3-5H2,1-2H3",QGTYWWGEWOBMAK-UHFFFAOYSA-N,C5H12ClO2PS2,234.7,233.9704867,3.1,75.9,134,0,0,4,6,11,>100  °C,"178 to 185 °F at 0.1 mmHg (EPA, 1998)",1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
THIOFANOX,039196-18-4,38235,"[(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)amino] N-methylcarbamate",CC(C)(C)C(=NOC(=O)NC)CSC,"InChI=1S/C9H18N2O2S/c1-9(2,3)7(6-14-5)11-13-8(12)10-4/h6H2,1-5H3,(H,10,12)",FZSVSABTBYGOQH-UHFFFAOYSA-N,C9H18N2O2S,218.32,218.108899,2.2,76,221,0,1,4,5,14,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
FUMONISIN B2,116355-84-1,2733489,"(2R)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid",CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)CCCCCC[C@H](C[C@@H]([C@H](C)N)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O,"InChI=1S/C34H59NO14/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22-,23+,24+,25+,26-,27-,32+/m0/s1",UXDPXZQHTDAXOZ-STOIETHLSA-N,C34H59NO14,705.8,705.3935556,1.2,268,1040,0,7,15,31,49,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BARIUM CYANIDE,000542-62-1,6093184,barium(2+) dicyanide,[C-]#N.[C-]#N.[Ba+2],InChI=1S/2CN.Ba/c2*1-2;/q2*-1;+2,UNLSXXHOHZUADN-UHFFFAOYSA-N,C2BaN2,189.36,189.911395,,47.6,10,0,0,4,0,5,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
MECHLORETHAMINE HYDROCHLORIDE,000055-86-7,5935,2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydrochloride,CN(CCCl)CCCl.Cl,"InChI=1S/C5H11Cl2N.ClH/c1-8(4-2-6)5-3-7;/h2-5H2,1H3;1H",QZIQJVCYUQZDIR-UHFFFAOYSA-N,C5H12Cl3N,192.5,191.003532,,3.2,43,0,1,1,4,9,,,0,1,0,1,0,1,0,0,0,0,1,0,0,1,0,0,1,0,0,0
DIETHYL CHLOROPHOSPHATE,000814-49-3,13139,1-[chloro(ethoxy)phosphoryl]oxyethane,CCOP(=O)(OCC)Cl,"InChI=1S/C4H10ClO3P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3",LGTLXDJOAJDFLR-UHFFFAOYSA-N,C4H10ClO3P,172.55,172.0056089,1,35.5,106,0,0,3,4,9,,"140 °F at 2 mmHg (EPA, 1998)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIMETHYLTIN BROMIDE,001066-44-0,14015,bromo(trimethyl)stannane,C[Sn](C)(C)Br,InChI=1S/3CH3.BrH.Sn/h3*1H3;1H;/q;;;;+1/p-1,MZGUIAFRJWSYJJ-UHFFFAOYSA-M,C3H9BrSn,243.72,243.89097,,0,28,0,0,0,0,5,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
2-DIETHYLAMINOETHYL CHLORIDE HYDROCHLORIDE,000869-24-9,13363,"2-chloro-N,N-diethylethanamine;hydrochloride",CCN(CC)CCCl.Cl,"InChI=1S/C6H14ClN.ClH/c1-3-8(4-2)6-5-7;/h3-6H2,1-2H3;1H",RAGSWDIQBBZLLL-UHFFFAOYSA-N,C6H15Cl2N,172.09,171.0581549,,3.2,43,0,1,1,4,9,,,0,1,1,1,0,0,1,1,0,0,1,0,0,0,0,0,1,0,0,1
POTASSIUM TRICYANOMETHANIDE,034171-69-2,10964525,potassium methanetricarbonitrile,C(#N)[C-](C#N)C#N.[K+],InChI=1S/C4N3.K/c5-1-4(2-6)3-7;/q-1;+1,ZKJPYQKGNUBNOA-UHFFFAOYSA-N,C4KN3,129.16,128.9729285,,71.4,155,0,0,4,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
HYDROXYTRIMETHYLSTANNANE,000056-24-6,11217597,trimethylstannanylium hydroxide,C[Sn+](C)C.[OH-],InChI=1S/3CH3.H2O.Sn/h3*1H3;1H2;/q;;;;+1/p-1,OJZNYUDKNVNEMV-UHFFFAOYSA-M,C3H10OSn,180.82,181.975367,,1,8,0,1,1,0,5,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ARSONOUS DICHLORIDE, METHYL-",000593-89-5,61142,dichloro(methyl)arsane,C[As](Cl)Cl,InChI=1S/CH3AsCl2/c1-2(3)4/h1H3,VXRMBBLRHSRVDK-UHFFFAOYSA-N,CH3AsCl2,160.86,159.882775,,0,13,0,0,0,0,4,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
(T-4)TETRAKIS(CYANO-KAPPAC)CUPRATE(3-) TRIPOTASSIUM,014263-73-1,161044,tripotassium;copper(1+);tetracyanide,[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[K+].[K+].[Cu+],InChI=1S/4CN.Cu.3K/c4*1-2;;;;/q4*-1;4*+1,KJQBKXNMRVPFNY-UHFFFAOYSA-N,C4CuK3N4,284.91,283.833013,,95.2,10,0,0,8,0,12,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CADMATE(2-), TETRAKIS(CYANO-C)-, DIPOTASSIUM, (T-4)-",014402-75-6,49868028,dipotassium;cadmium(2+);tetracyanide,[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[K+].[Cd+2],InChI=1S/4CN.Cd.2K/c4*1-2;;;/q4*-1;+2;2*+1,AMFARPFBUUDQLJ-UHFFFAOYSA-N,C4CdK2N4,294.68,295.843074,,95.2,10,0,0,8,0,11,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
MERCURY BROMIDE (HG2BR2),015385-58-7,24829,bromomercury,Br[Hg].Br[Hg],InChI=1S/2BrH.2Hg/h2*1H;;/q;;2*+1/p-2,RVARJMCTILSHND-UHFFFAOYSA-L,Br2Hg2,560.99,561.7736,,0,4,0,0,0,0,4,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
(T-4)-TETRAKIS(THIOCYANATO-N)-MERCURY(2+) (1:1)COBALTATE(2-),027685-51-4,161577,cobalt(2+);mercury(2+);tetrathiocyanate,C(#N)[S-].C(#N)[S-].C(#N)[S-].C(#N)[S-].[Co+2].[Hg+2],InChI=1S/4CHNS.Co.Hg/c4*2-1-3;;/h4*3H;;/q;;;;2*+2/p-4,CKGHPFRRZBSWMC-UHFFFAOYSA-J,C4CoHgN4S4,491.9,492.804418,,99.2,31,0,0,8,0,14,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
TETRAETHYL LEAD,000078-00-2,6511,tetraethylplumbane,CC[Pb](CC)(CC)CC,"InChI=1S/4C2H5.Pb/c4*1-2;/h4*1H2,2H3;",MRMOZBOQVYRSEM-UHFFFAOYSA-N,C8H20Pb,323,324.13315,,0,47,0,0,0,4,9,"200 °F (EPA, 1998)","392 °F at 760 mmHg Decomposes between 230 - 392 °F. (EPA, 1998)",1,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
MERCURY CYANIDE,000592-04-1,11591,dicyanomercury,C(#N)[Hg]C#N,InChI=1S/2CN.Hg/c2*1-2;,FQGYCXFLEQVDJQ-UHFFFAOYSA-N,C2HgN2,252.63,253.976792,,47.6,85,0,0,2,0,5,,Decomposes,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Succinonitrile, tetramethyl-",003333-52-6,18745,"2,2,3,3-tetramethylbutanedinitrile",CC(C)(C#N)C(C)(C)C#N,"InChI=1S/C8H12N2/c1-7(2,5-9)8(3,4)6-10/h1-4H3",ZVQXQPNJHRNGID-UHFFFAOYSA-N,C8H12N2,136.19,136.1000484,1.5,47.6,192,0,0,2,1,10,,"Sublimes (NIOSH, 2024)",0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
MERCURIC SULFATE,007783-35-9,24544,mercury(2+) sulfate,[O-]S(=O)(=O)[O-].[Hg+2],"InChI=1S/Hg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",DOBUSJIVSSJEDA-UHFFFAOYSA-L,HgO4S,296.66,297.922373,,88.6,62,0,0,4,0,6,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
CUPROUS CYANIDE,000544-92-3,11009,copper(1+) cyanide,[C-]#N.[Cu+],InChI=1S/CN.Cu/c1-2;/q-1;+1,DOBRDRYODQBAMW-UHFFFAOYSA-N,CCuN,89.56,88.932671,,23.8,12,0,0,2,0,3,,Decomposes,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM ARSENITE,007784-46-5,443495,sodium oxoarsinite,[O-][As]=O.[Na+],"InChI=1S/AsHO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1",PTLRDCMBXHILCL-UHFFFAOYSA-M,AsNaO2,129.91,129.901193,,40.1,13,0,0,2,0,4,,,1,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
VINYL SULFONE,000077-77-0,6496,1-ethenylsulfonylethene,C=CS(=O)(=O)C=C,"InChI=1S/C4H6O2S/c1-3-7(5,6)4-2/h3-4H,1-2H2",AFOSIXZFDONLBT-UHFFFAOYSA-N,C4H6O2S,118.16,118.0088506,0.6,42.5,145,0,0,2,2,7,"217 °F (NTP, 1992)","453 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
TETRAMETHYLAMMONIUM HYDROXIDE,000075-59-2,60966,tetramethylazanium hydroxide,C[N+](C)(C)C.[OH-],"InChI=1S/C4H12N.H2O/c1-5(2,3)4;/h1-4H3;1H2/q+1;/p-1",WGTYBPLFGIVFAS-UHFFFAOYSA-M,C4H13NO,91.15,91.09971404,,1,19,0,1,1,0,6,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
CIS-PLATIN,015663-27-1,5460033,azane;dichloroplatinum,N.N.Cl[Pt]Cl,InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2,LXZZYRPGZAFOLE-UHFFFAOYSA-L,Cl2H6N2Pt,300.05,298.955598,,2,7,0,2,2,0,5,,,0,1,0,1,0,1,0,1,0,0,1,0,0,1,1,0,1,1,0,1
URANIUM DIOXIDE,001344-57-6,51003830,bis(oxygen(2-));uranium(4+),[O-2].[O-2].[U+4],InChI=1S/2O.U/q2*-2;+4,OOAWCECZEHPMBX-UHFFFAOYSA-N,O2U,270.028,270.04062,,2,0,0,0,2,0,3,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
URANIUM TRIOXIDE,001344-58-7,74013,trioxouranium,O=[U](=O)=O,InChI=1S/3O.U,JCMLRUNDSXARRW-UHFFFAOYSA-N,O3U,286.027,286.03553,,51.2,61,0,0,3,0,4,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
URANYL NITRATE,010102-06-4,92043144,dioxouranium(2+) dinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O=[U+2]=O,InChI=1S/2NO3.2O.U/c2*2-1(3)4;;;/q2*-1;;;+2,ZYEWBKAZYICUMJ-UHFFFAOYSA-N,N2O8U,394.04,394.01625,,160,37,0,0,8,0,11,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"SELENIOUS ACID, MONOSODIUM SALT",007782-82-3,23669629,sodium hydrogen selenite,O[Se](=O)[O-].[Na+],"InChI=1S/Na.H2O3Se/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1",OHYAUPVXSYITQV-UHFFFAOYSA-M,HNaO3Se,150.97,151.89886,,60.4,33,0,1,3,0,5,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,0
THALLIUM CHLORIDE (TLCL3),013453-32-2,83482,trichlorothallane,Cl[Tl](Cl)Cl,InChI=1S/3ClH.Tl/h3*1H;/q;;;+3/p-3,KTZHUTMWYRHVJB-UHFFFAOYSA-K,Cl3Tl,310.74,309.88099,,0,8,0,0,0,0,4,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"BUTANENITRILE, 2-HYDROXY-4-(METHYLTHIO)-",017773-41-0,87302,2-hydroxy-4-methylsulfanylbutanenitrile,CSCCC(C#N)O,"InChI=1S/C5H9NOS/c1-8-3-2-5(7)4-6/h5,7H,2-3H2,1H3",VWWOJJANXYSACS-UHFFFAOYSA-N,C5H9NOS,131.2,131.0404851,0.4,69.3,95,0,1,3,3,8,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM SELENATE,013410-01-0,25960,disodium;selenate,[O-][Se](=O)(=O)[O-].[Na+].[Na+],"InChI=1S/2Na.H2O4Se/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",MHQOTKLEMKRJIR-UHFFFAOYSA-L,Na2O4Se,188.95,189.87572,,80.3,62,0,0,4,0,7,,"Decomposes (NTP, 1992)",1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,1,0
DIMETHYLMERCURY,000593-74-8,11645,dimethylmercury,C[Hg]C,InChI=1S/2CH3.Hg/h2*1H3;,ATZBPOVXVPIOMR-UHFFFAOYSA-N,C2H6Hg,230.66,232.017594,,0,2,0,0,0,0,3,5 °C,92 °C,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
DIETHYL MERCURY,000627-44-1,12318,diethylmercury,CC[Hg]CC,"InChI=1S/2C2H5.Hg/c2*1-2;/h2*1H2,2H3;",SPIUPAOJDZNUJH-UHFFFAOYSA-N,C4H10Hg,258.71,260.048894,,0,11,0,0,0,0,5,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
2-CHLOROETHANOL,000107-07-3,34,2-chloroethanol,C(CCl)O,"InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2",SZIFAVKTNFCBPC-UHFFFAOYSA-N,C2H5ClO,80.51,80.0028925,-0.1,20.2,10,0,1,1,1,4,"140 °F (EPA, 1998)","262 °F at 760 mmHg (EPA, 1998)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DEMETON,008065-48-3,24722,diethoxy-(2-ethylsulfanylethoxy)-sulfanylidene-lambda5-phosphane;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane,CCOP(=O)(OCC)SCCSCC.CCOP(=S)(OCC)OCCSCC,"InChI=1S/2C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3;1-4-9-12(13,10-5-2)11-7-8-14-6-3/h2*4-8H2,1-3H3",FAXIJTUDSBIMHY-UHFFFAOYSA-N,C16H38O6P2S4,516.7,516.1026476,,171,336,0,0,10,18,28,"113 °F solution in combustible solvent (EPA, 1998)","273 °F at 2 mmHg (EPA, 1998)",1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DICHLOROETHYL ETHER,000111-44-4,8115,1-chloro-2-(2-chloroethoxy)ethane,C(CCl)OCCCl,InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2,ZNSMNVMLTJELDZ-UHFFFAOYSA-N,C4H8Cl2O,143.01,141.9952203,1.3,9.2,28,0,0,1,4,7,"131 °F (EPA, 1998)","352 °F at 760 mmHg (EPA, 1998)",0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-CHLOROPROPIONITRILE,000542-76-7,10963,3-chloropropanenitrile,C(CCl)C#N,InChI=1S/C3H4ClN/c4-2-1-3-5/h1-2H2,GNHMRTZZNHZDDM-UHFFFAOYSA-N,C3H4ClN,89.52,89.0032268,0.2,23.8,51,0,0,1,1,5,"168 °F (EPA, 1998)","347 to 349 °F at 760 mmHg (EPA, 1998)",0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
BIS(2-CHLOROISOPROPYL)ETHER,000108-60-1,7944,1-chloro-2-(1-chloropropan-2-yloxy)propane,CC(CCl)OC(C)CCl,"InChI=1S/C6H12Cl2O/c1-5(3-7)9-6(2)4-8/h5-6H,3-4H2,1-2H3",QCFYJCYNJLBDRT-UHFFFAOYSA-N,C6H12Cl2O,171.06,170.0265204,2.1,9.2,60,0,0,1,4,9,"185 °F (NTP, 1992)","369.3 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-PROPENYLIDENE DIACETATE,000869-29-4,61226,1-acetyloxyprop-2-enyl acetate,CC(=O)OC(C=C)OC(=O)C,"InChI=1S/C7H10O4/c1-4-7(10-5(2)8)11-6(3)9/h4,7H,1H2,2-3H3",TXECTBGVEUDNSL-UHFFFAOYSA-N,C7H10O4,158.15,158.0579088,0.8,52.6,157,0,0,4,5,11,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
FORMALDEHYDE CYANOHYDRIN,000107-16-4,7857,2-hydroxyacetonitrile,C(C#N)O,"InChI=1S/C2H3NO/c3-1-2-4/h4H,2H2",LTYRAPJYLUPLCI-UHFFFAOYSA-N,C2H3NO,57.05,57.02146372,-0.7,44,41,0,1,2,0,4,"greater than 200 °F (NTP, 1992)","361 °F at 760 mmHg with slight decomposition (EPA, 1998)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
HYDROFLUORIC ACID SOLUTIONS (>/=48.3%),007664-39-3,14917,fluorane,F,InChI=1S/FH/h1H,KRHYYFGTRYWZRS-UHFFFAOYSA-N,FH,20.0064,20.00622819,0.6,0,0,0,1,1,0,1,"Not Flammable (EPA, 1998)","152 °F at 760 mmHg for 70% solution (ICSC, 2024)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
BORON TRICHLORIDE,010294-34-5,25135,trichloroborane,B(Cl)(Cl)Cl,InChI=1S/BCl3/c2-1(3)4,FAQYAMRNWDIXMY-UHFFFAOYSA-N,BCl3,117.2,115.915863,,0,8,0,0,0,0,4,,"54.5 °F at 760 mmHg (EPA, 1998)",0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PHOSPHORUS TRICHLORIDE,007719-12-2,24387,trichlorophosphane,P(Cl)(Cl)Cl,InChI=1S/Cl3P/c1-4(2)3,FAIAAWCVCHQXDN-UHFFFAOYSA-N,Cl3P,137.33,135.88032,2.3,0,8,0,0,0,0,4,,"169 °F at 760 mmHg (EPA, 1998)",0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0
SODIUM AZIDE,026628-22-8,33557,sodium azide,[N-]=[N+]=[N-].[Na+],InChI=1S/N3.Na/c1-3-2;/q-1;+1,PXIPVTKHYLBLMZ-UHFFFAOYSA-N,N3Na,65.01,64.99899129,,3,15,0,0,2,0,4,"Not flammable (EPA, 1998)","Decomposes in vacuum (EPA, 1998)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
PHORATE,000298-02-2,4790,diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane,CCOP(=S)(OCC)SCSCC,"InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3",BULVZWIRKLYCBC-UHFFFAOYSA-N,C7H17O2PS3,260.4,260.0128303,3.6,101,156,0,0,5,8,13,"320 °F (NIOSH, 2024)","257 to 261 °F at 2 mmHg (EPA, 1998)",1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ALDICARB,000116-06-3,9570071,[(E)-(2-methyl-2-methylsulfanylpropylidene)amino] N-methylcarbamate,CC(C)(/C=N/OC(=O)NC)SC,"InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+",QGLZXHRNAYXIBU-WEVVVXLNSA-N,C7H14N2O2S,190.27,190.0775989,1.1,76,180,0,1,4,4,12,,"Decomposes (NTP, 1992)",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ACETONE CYANOHYDRIN,000075-86-5,6406,2-hydroxy-2-methylpropanenitrile,CC(C)(C#N)O,"InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3",MWFMGBPGAXYFAR-UHFFFAOYSA-N,C4H7NO,85.1,85.05276385,-0.1,44,87,0,1,2,0,6,"165 °F (EPA, 1998)","180 °F at 23 mmHg (EPA, 1998)",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
MEVINPHOS,007786-34-7,9560,methyl 3-dimethoxyphosphoryloxybut-2-enoate,CC(=CC(=O)OC)OP(=O)(OC)OC,"InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3",GEPDYQSQVLXLEU-UHFFFAOYSA-N,C7H13O6P,224.15,224.0449751,1.2,71.1,263,0,0,6,6,14,"175 °F (EPA, 1998)","223 to 226 °F at 1 mmHg (EPA, 1998)",1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
MERCURIC CHLORIDE,007487-94-7,24085,dichloromercury,Cl[Hg]Cl,InChI=1S/2ClH.Hg/h2*1H;/q;;+2/p-2,LWJROJCJINYWOX-UHFFFAOYSA-L,Cl2Hg,271.5,271.908349,,0,2,0,0,0,0,3,,"576 °F at 760 mmHg (EPA, 1998)",1,0,0,1,0,0,1,0,0,0,1,0,0,1,0,0,1,0,1,0
DICROTOPHOS,000141-66-2,5371560,[(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate,C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC,"InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3/b7-6+",VEENJGZXVHKXNB-VOTSOKGWSA-N,C8H16NO5P,237.19,237.0766096,0,65.1,291,0,0,5,5,15,"Above 175F (EPA, 1998)","752 °F at 760 mmHg (EPA, 1998)",1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
OXAMYL,023135-22-0,31657,methyl 2-(dimethylamino)-N-(methylcarbamoyloxy)-2-oxoethanimidothioate,CNC(=O)ON=C(C(=O)N(C)C)SC,"InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)",KZAUOCCYDRDERY-UHFFFAOYSA-N,C7H13N3O3S,219.26,219.0677625,-0.5,96.3,253,0,1,5,4,14,,Decomposes on distillation,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM SELENITE,010102-18-8,24934,disodium;selenite,[O-][Se](=O)[O-].[Na+].[Na+],"InChI=1S/2Na.H2O3Se/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2",BVTBRVFYZUCAKH-UHFFFAOYSA-L,Na2O3Se,172.95,173.8808,,63.2,18,0,0,3,0,6,,"Decomposes (NTP, 1992)",0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
TETRAMETHYLAMMONIUM CHLORIDE,000075-57-0,6379,tetramethylazanium chloride,C[N+](C)(C)C.[Cl-],"InChI=1S/C4H12N.ClH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1",OKIZCWYLBDKLSU-UHFFFAOYSA-M,C4H12ClN,109.6,109.0658271,,0,19,0,0,1,0,6,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
OSMIUM TETROXIDE,020816-12-0,30318,tetraoxoosmium,O=[Os](=O)(=O)=O,InChI=1S/4O.Os,VUVGYHUDAICLFK-UHFFFAOYSA-N,O4Os,254.2,255.94114,,68.3,138,0,0,4,0,5,,"266 °F at 760 mmHg (NIOSH, 2024)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
BUSULFAN,000055-98-1,2478,4-methylsulfonyloxybutyl methanesulfonate,CS(=O)(=O)OCCCCOS(=O)(=O)C,"InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3",COVZYZSDYWQREU-UHFFFAOYSA-N,C6H14O6S2,246.3,246.0231805,-0.5,104,293,0,0,6,7,14,,,0,1,1,1,0,1,0,1,0,0,1,0,0,1,0,0,1,0,1,1
MERCUROUS NITRATE,010415-75-5,25247,mercury(1+) nitrate,[N+](=O)([O-])[O-].[Hg+],InChI=1S/Hg.NO3/c;2-1(3)4/q+1;-1,DRXYRSRECMWYAV-UHFFFAOYSA-N,HgNO3,262.6,263.958461,,62.9,18,0,0,3,0,5,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"HYDRAZINE, DIHYDROBROMIDE",023268-00-0,168095,hydrazine;dihydrobromide,NN.Br.Br,InChI=1S/2BrH.H4N2/c;;1-2/h2*1H;1-2H2,MEBDASBFCISMGU-UHFFFAOYSA-N,Br2H6N2,193.87,193.88772,,52,0,0,4,2,0,4,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
BORON TRIBROMIDE,010294-33-4,25134,tribromoborane,B(Br)(Br)Br,InChI=1S/BBr3/c2-1(3)4,ILAHWRKJUDSMFH-UHFFFAOYSA-N,BBr3,250.53,249.76227,,0,8,0,0,0,0,4,,"196 °F at 760 mmHg (USCG, 1999)",0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
MERCURY(II) OXIDE,021908-53-2,30856,oxomercury,O=[Hg],InChI=1S/Hg.O,UKWHYYKOEPRTIC-UHFFFAOYSA-N,HgO,216.59,217.965558,,17.1,2,0,0,1,0,2,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
CALCIUM CYANIDE,000592-01-8,6093192,calcium dicyanide,[C-]#N.[C-]#N.[Ca+2],InChI=1S/2CN.Ca/c2*1-2;/q2*-1;+2,ZQULWKDLLXZZSP-UHFFFAOYSA-N,C2CaN2,92.11,91.9687389,,47.6,10,0,0,4,0,5,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CUPRATE(1-), BIS(CYANO-C)-, POTASSIUM",013682-73-0,61666,potassium;copper(1+);dicyanide,[C-]#N.[C-]#N.[K+].[Cu+],InChI=1S/2CN.Cu.K/c2*1-2;;/q2*-1;2*+1,IVDPWEKOUUEEBD-UHFFFAOYSA-N,C2CuKN2,154.68,153.899452,,47.6,31,0,0,4,0,6,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CUPRATE(2-), TRIS(CYANO-C)-, DISODIUM",014264-31-4,61722,disodium;copper(1+);tricyanide,[C-]#N.[C-]#N.[C-]#N.[Na+].[Na+].[Cu+],InChI=1S/3CN.Cu.2Na/c3*1-2;;;/q3*-1;3*+1,JXWXJWOMXJKLOG-UHFFFAOYSA-N,C3CuN3Na2,187.58,186.918358,,71.4,53,0,0,6,0,9,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,1,1
ARSENIC TRICHLORIDE,007784-34-1,24570,trichloroarsane,Cl[As](Cl)Cl,InChI=1S/AsCl3/c2-1(3)4,OEYOHULQRFXULB-UHFFFAOYSA-N,AsCl3,181.28,179.828153,,0,8,0,0,0,0,4,,"266.4 °F at 760 mmHg (USCG, 1999)",1,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"THALLIUM METAL (ROD, GRANULES)",007440-28-0,5359464,thallium,[Tl],InChI=1S/Tl,BKVIYDNLLOSFOA-UHFFFAOYSA-N,Tl,204.383,204.97443,,0,0,0,0,0,0,1,420 °F,1473 °C,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
ARSENIC TRIOXIDE,001327-53-3,14888,bis(arsenic(3+));tris(oxygen(2-)),[O-2].[O-2].[O-2].[As+3].[As+3],InChI=1S/2As.3O/q2*+3;3*-2,QTLQKAJBUDWPIB-UHFFFAOYSA-N,As2O3,197.841,197.82793,,3,0,0,0,3,0,5,,"869 °F at 760 mmHg (EPA, 1998)",1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0
THALLIUM SULFATE,007446-18-6,24833,bis(thallium(1+));sulfate,[O-]S(=O)(=O)[O-].[Tl+].[Tl+],"InChI=1S/H2O4S.2Tl/c1-5(2,3)4;;/h(H2,1,2,3,4);;/q;2*+1/p-2",YTQVHRVITVLIRD-UHFFFAOYSA-L,O4STl2,504.83,505.90058,,88.6,62,0,0,4,0,7,,"Decomposes (EPA, 1998)",0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,1,0
THALLIUM(I) ACETATE,000563-68-8,11247,thallium(1+) acetate,CC(=O)[O-].[Tl+],"InChI=1S/C2H4O2.Tl/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",HQOJMTATBXYHNR-UHFFFAOYSA-M,C2H3O2Tl,263.43,263.98773,,40.1,25,0,0,2,0,5,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
THIOSEMICARBAZIDE,000079-19-6,2723789,aminothiourea,C(=S)(N)NN,"InChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5)",BRWIZMBXBAOCCF-UHFFFAOYSA-N,CH5N3S,91.14,91.02041835,-1.2,96.2,42,0,3,2,0,5,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM FLUOROACETATE,000062-74-8,16212360,sodium 2-fluoroacetate,C(C(=O)[O-])F.[Na+],"InChI=1S/C2H3FO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1",JGFYQVQAXANWJU-UHFFFAOYSA-M,C2H2FNaO2,100.02,99.99365175,,40.1,46,0,0,3,1,6,,"Decomposes (NIOSH, 2024)",1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ETHYLENE CHLOROBROMIDE,000107-04-0,7849,1-bromo-2-chloroethane,C(CBr)Cl,InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2,IBYHHJPAARCAIE-UHFFFAOYSA-N,C2H4BrCl,143.41,141.91849,1.6,0,10,0,0,0,1,4,none,"225 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMMONIUM VANADATE,007803-55-6,516859,azanium oxido(dioxo)vanadium,[NH4+].[O-][V](=O)=O,InChI=1S/H3N.3O.V/h1H3;;;;/q;;;-1;/p+1,UNTBPXHCXVWYOI-UHFFFAOYSA-O,H4NO3V,116.978,116.963076,,58.2,36,0,1,3,0,5,,>350 °C,0,0,1,1,0,0,1,1,0,0,1,0,0,1,0,0,1,0,1,1
ACRYLAMIDE,000079-06-1,6579,prop-2-enamide,C=CC(=O)N,"InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)",HRPVXLWXLXDGHG-UHFFFAOYSA-N,C3H5NO,71.08,71.03711378,-0.7,43.1,57,0,1,1,1,5,"280.4 °F (EPA, 1998)","189 °F at 2 mmHg (EPA, 1998)",0,1,1,1,0,1,0,1,0,0,1,0,0,1,0,0,1,1,1,0
SODIUM FLUORIDE,007681-49-4,5235,sodium fluoride,[F-].[Na+],InChI=1S/FH.Na/h1H;/q;+1/p-1,PUZPDOWCWNUUKD-UHFFFAOYSA-M,FNa,41.9881724,41.98817244,,0,2,0,0,1,0,2,,"3083 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
IODOACETIC ACID,000064-69-7,5240,2-iodoacetic acid,C(C(=O)O)I,"InChI=1S/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5)",JDNTWHVOXJZDSN-UHFFFAOYSA-N,C2H3IO2,185.95,185.91778,0.5,37.3,42,0,1,2,1,5,,"Decomposes (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CADMIUM IODIDE,007790-80-9,24635,cadmium(2+) diiodide,[Cd+2].[I-].[I-],InChI=1S/Cd.2HI/h;2*1H/q+2;;/p-2,OKIIEJOIXGHUKX-UHFFFAOYSA-L,CdI2,366.22,367.71231,,0,0,0,0,2,0,3,,,1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
N-NITROSO-N-ETHYLUREA,000759-73-9,12967,1-ethyl-1-nitrosourea,CCN(C(=O)N)N=O,"InChI=1S/C3H7N3O2/c1-2-6(5-8)3(4)7/h2H2,1H3,(H2,4,7)",FUSGACRLAFQQRL-UHFFFAOYSA-N,C3H7N3O2,117.11,117.0538265,0.2,75.8,103,0,1,3,1,8,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
N-NITROSODIETHYLAMINE,000055-18-5,5921,"N,N-diethylnitrous amide",CCN(CC)N=O,"InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3",WBNQDOYYEUMPFS-UHFFFAOYSA-N,C4H10N2O,102.14,102.0793129,0.5,32.7,51,0,0,3,2,7,"145 °F (NTP, 1992)","351 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
THORIUM DIOXIDE,001314-20-1,14808,dioxothorium,O=[Th]=O,InChI=1S/2O.Th,ZCUFMDLYAMJYST-UHFFFAOYSA-N,O2Th,264.036,264.02788,,34.1,18,0,0,2,0,3,,4400 °C,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0
1-ALLYL-2-THIOUREA,000109-57-9,1549517,prop-2-enylthiourea,C=CCNC(=S)N,"InChI=1S/C4H8N2S/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)",HTKFORQRBXIQHD-UHFFFAOYSA-N,C4H8N2S,116.19,116.0408194,0.2,70.1,79,0,2,1,2,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-CHLOROACETAMIDE,000079-07-2,6580,2-chloroacetamide,C(C(=O)N)Cl,"InChI=1S/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5)",VXIVSQZSERGHQP-UHFFFAOYSA-N,C2H4ClNO,93.51,92.9981414,-0.5,43.1,44,0,1,1,1,5,170 °C,Approximately 225 °C (decomposes),0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0
DIALLYL MALEATE,000999-21-3,5354266,bis(prop-2-enyl) (Z)-but-2-enedioate,C=CCOC(=O)/C=C\C(=O)OCC=C,"InChI=1S/C10H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-6H,1-2,7-8H2/b6-5-",ZPOLOEWJWXZUSP-WAYWQWQTSA-N,C10H12O4,196.2,196.0735589,1.5,52.6,227,0,0,4,8,14,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM VANADATE(V),013718-26-8,4148882,sodium oxido(dioxo)vanadium,[O-][V](=O)=O.[Na+],InChI=1S/Na.3O.V/q+1;;;-1;,CMZUMMUJMWNLFH-UHFFFAOYSA-N,NaO3V,121.929,121.918471,,57.2,49,0,0,3,0,5,,,0,0,1,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,1
TUNGSTEN HEXACARBONYL,014040-11-0,98884,carbon monoxide;tungsten,[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W],InChI=1S/6CO.W/c6*1-2;,FQNHWXHRAUXLFU-UHFFFAOYSA-N,C6O6W,351.9,351.920421,,6,127,0,0,6,0,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM CACODYLATE,000124-65-2,2724247,sodium dimethylarsinate,C[As](=O)(C)[O-].[Na+],"InChI=1S/C2H7AsO2.Na/c1-3(2,4)5;/h1-2H3,(H,4,5);/q;+1/p-1",IHQKEDIOMGYHEB-UHFFFAOYSA-M,C2H6AsNaO2,159.98,159.948143,,40.1,65,0,0,2,0,6,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DECYLAMINE,002016-57-1,8916,decan-1-amine,CCCCCCCCCCN,"InChI=1S/C10H23N/c1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3",MHZGKXUYDGKKIU-UHFFFAOYSA-N,C10H23N,157.3,157.1830497,4.2,26,61,0,1,1,8,11,,220.5 °C,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ACETYLTHIOCHOLINE IODIDE,001866-15-5,74629,2-acetylsulfanylethyl(trimethyl)azanium iodide,CC(=O)SCC[N+](C)(C)C.[I-],"InChI=1S/C7H16NOS.HI/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1",NTBLZMAMTZXLBP-UHFFFAOYSA-M,C7H16INOS,289.18,288.99973,,42.4,117,0,0,3,4,11,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SODIUM ARSENATE, HEPTAHYDRATE",010048-95-0,61460,disodium;hydrogen arsorate;heptahydrate,O.O.O.O.O.O.O.O[As](=O)([O-])[O-].[Na+].[Na+],"InChI=1S/AsH3O4.2Na.7H2O/c2-1(3,4)5;;;;;;;;;/h(H3,2,3,4,5);;;7*1H2/q;2*+1;;;;;;;/p-2",KOLXPEJIBITWIQ-UHFFFAOYSA-L,AsH15Na2O11,312.01,311.962569,,90.4,46,0,8,11,0,14,,"356 °F at 760 mmHg (decomposes) (NTP, 1992)",1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
N-NITROSO-N-METHYLETHYLAMINE,010595-95-6,25418,N-ethyl-N-methylnitrous amide,CCN(C)N=O,"InChI=1S/C3H8N2O/c1-3-5(2)4-6/h3H2,1-2H3",RTDCJKARQCRONF-UHFFFAOYSA-N,C3H8N2O,88.11,88.06366288,0.6,32.7,46,0,0,3,1,6,76 °C,163 °C at 747 mm Hg,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CACODYLIC ACID,000075-60-5,2513,dimethylarsinic acid,C[As](=O)(C)O,"InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)",OGGXGZAMXPVRFZ-UHFFFAOYSA-N,C2H7AsO2,138,137.966199,,37.3,62,0,1,2,0,5,,"greater than 392 °F at 760 mmHg (NTP, 1992)",1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
LUTETIUM FLUORIDE,013760-81-1,83712,trifluorolutetium,F[Lu](F)F,InChI=1S/3FH.Lu/h3*1H;/q;;;+3/p-3,VIHLFTMKXFWYAS-UHFFFAOYSA-K,F3Lu,231.9619,231.93599,,0,8,0,0,3,0,4,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SELENOUREA,000630-10-4,12414,carbamimidoselenoic acid,C(=N)(N)[SeH],"InChI=1S/CH4N2Se/c2-1(3)4/h(H4,2,3,4)",IYKVLICPFCEZOF-UHFFFAOYSA-N,CH4N2Se,123.03,123.95397,,49.9,33,0,2,1,0,4,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
METHYL METHANESULFONATE,000066-27-3,4156,methyl methanesulfonate,COS(=O)(=O)C,"InChI=1S/C2H6O3S/c1-5-6(2,3)4/h1-2H3",MBABOKRGFJTBAE-UHFFFAOYSA-N,C2H6O3S,110.13,110.0037652,-0.4,51.8,105,0,0,3,1,6,"220 °F (NTP, 1992)","396 to 397 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,1,1,1,0,0,1,0,0,1,0,0,1,1,1,1
DIAMINOMALEONITRILE,001187-42-4,2723951,"(Z)-2,3-diaminobut-2-enedinitrile",C(#N)/C(=C(\C#N)/N)/N,InChI=1S/C4H4N4/c5-1-3(7)4(8)2-6/h7-8H2/b4-3-,DPZSNGJNFHWQDC-ARJAWSKDSA-N,C4H4N4,108.1,108.0435961,-1,99.6,183,0,2,4,0,8,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CHROMIUM(III) IODIDE,013569-75-0,83586,triiodochromium,[Cr](I)(I)I,InChI=1S/Cr.3HI/h;3*1H/q+3;;;/p-3,PPUZYFWVBLIDMP-UHFFFAOYSA-K,CrI3,432.71,432.6539,,0,8,0,0,0,0,4,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM IODOACETATE,000305-53-3,5239,sodium 2-iodoacetate,C(C(=O)[O-])I.[Na+],"InChI=1S/C2H3IO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1",AGDSCTQQXMDDCV-UHFFFAOYSA-M,C2H2INaO2,207.93,207.89972,,40.1,46,0,0,2,1,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PROPARGYLAMINE HYDROCHLORIDE,015430-52-1,11205720,prop-2-yn-1-amine;hydrochloride,C#CCN.Cl,"InChI=1S/C3H5N.ClH/c1-2-3-4;/h1H,3-4H2;1H",IKXNIQJDNKPPCH-UHFFFAOYSA-N,C3H6ClN,91.54,91.0188769,,26,38,0,2,1,0,5,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MAGNESIUM HEXAFLUOROSILICATE HEXAHYDRATE,018972-56-0,61861,magnesium hexafluorosilicon(2-),F[Si-2](F)(F)(F)(F)F.[Mg+2],"InChI=1S/F6Si.Mg/c1-7(2,3,4,5)6;/q-2;+2",INWUJAAIUAAHJA-UHFFFAOYSA-N,F6MgSi,166.38,165.9523872,,0,62,0,0,7,0,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CYANOGEN IODIDE,000506-78-5,10478,carbononitridic iodide,C(#N)I,InChI=1S/CIN/c2-1-3,WPBXOELOQKLBDF-UHFFFAOYSA-N,CIN,152.922,152.90755,0.9,23.8,31,0,0,1,0,3,,Sublimation at temperatures > 45 °C,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-DICHLORO-2-BUTYNE",000821-10-3,13182,"1,4-dichlorobut-2-yne",C(C#CCCl)Cl,InChI=1S/C4H4Cl2/c5-3-1-2-4-6/h3-4H2,RCHDLEVSZBOHOS-UHFFFAOYSA-N,C4H4Cl2,122.98,121.9690055,2,0,66,0,0,0,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SAMARIUM FLUORIDE,013765-24-7,83714,trifluorosamarium,F[Sm](F)F,InChI=1S/3FH.Sm/h3*1H;/q;;;+3/p-3,OJIKOZJGHCVMDC-UHFFFAOYSA-K,F3Sm,207.4,208.91495,,0,8,0,0,3,0,4,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIMETHYLTIN DICHLORIDE,000753-73-1,12955,dichloro(dimethyl)stannane,C[Sn](C)(Cl)Cl,InChI=1S/2CH3.2ClH.Sn/h2*1H3;2*1H;/q;;;;+2/p-2,PKKGKUDPKRTKLJ-UHFFFAOYSA-L,C2H6Cl2Sn,219.68,219.886858,,0,30,0,0,0,0,5,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,1,0,1,0
"BERYLLIUM ACETATE, BASIC",019049-40-2,3035396,tetraberyllium;oxygen(2-);hexaacetate,[Be+2].[Be+2].[Be+2].[Be+2].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[O-2],"InChI=1S/6C2H4O2.4Be.O/c6*1-2(3)4;;;;;/h6*1H3,(H,3,4);;;;;/q;;;;;;4*+2;-2/p-6",RKARILOACIIVIJ-UHFFFAOYSA-H,C12H18Be4O13,406.31,406.123473,,242,25,0,0,13,0,29,,,0,0,1,1,0,1,1,1,0,0,0,0,0,0,0,0,1,1,1,1
BIS(TRIBUTYLTIN),000813-19-4,6327815,,CCCC[Sn](CCCC)CCCC.CCCC[Sn](CCCC)CCCC,"InChI=1S/6C4H9.2Sn/c6*1-3-4-2;;/h6*1,3-4H2,2H3;;",REDSKZBUUUQMSK-UHFFFAOYSA-N,C24H54Sn2,580.1,580.22636,,0,168,0,0,0,18,26,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"4,4-DIMETHYL-3-THIOSEMICARBAZIDE",006926-58-5,2733700,"3-amino-1,1-dimethylthiourea",CN(C)C(=S)NN,"InChI=1S/C3H9N3S/c1-6(2)3(7)5-4/h4H2,1-2H3,(H,5,7)",FCPHVJQWZFNNKD-UHFFFAOYSA-N,C3H9N3S,119.19,119.0517185,-0.3,73.4,70,0,2,2,0,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SELENO-DL-CYSTINE,002897-21-4,15104,2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid,C(C(C(=O)O)N)[Se][Se]CC(C(=O)O)N,"InChI=1S/C6H12N2O4Se2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)",JULROCUWKLNBSN-UHFFFAOYSA-N,C6H12N2O4Se2,334.11,335.91275,,127,192,0,4,6,7,14,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
SELENO-DL-METHIONINE,002578-28-1,15103,2-amino-4-methylselanylbutanoic acid,C[Se]CCC(C(=O)O)N,"InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",RJFAYQIBOAGBLC-UHFFFAOYSA-N,C5H11NO2Se,196.12,196.9955,,63.3,97,0,2,3,4,9,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
L-SELENOMETHIONINE,003211-76-5,105024,(2S)-2-amino-4-methylselanylbutanoic acid,C[Se]CC[C@@H](C(=O)O)N,"InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",RJFAYQIBOAGBLC-BYPYZUCNSA-N,C5H11NO2Se,196.12,196.9955,,63.3,97,0,2,3,4,9,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
DECAMETHONIUM BROMIDE,000541-22-0,10921,trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide,C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-],"InChI=1S/C16H38N2.2BrH/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2",HLXQFVXURMXRPU-UHFFFAOYSA-L,C16H38Br2N2,418.3,418.13812,,0,164,0,0,2,11,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM HEXAFLUOROSILICATE,016871-90-2,61851,dipotassium;hexafluorosilicon(2-),F[Si-2](F)(F)(F)(F)F.[K+].[K+],"InChI=1S/F6Si.2K/c1-7(2,3,4,5)6;;/q-2;2*+1",UUHPPUWEDCVPCO-UHFFFAOYSA-N,F6K2Si,220.272,219.8947585,,0,62,0,0,7,0,9,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ALLYL ACETOACETATE,001118-84-9,70701,prop-2-enyl 3-oxobutanoate,CC(=O)CC(=O)OCC=C,"InChI=1S/C7H10O3/c1-3-4-10-7(9)5-6(2)8/h3H,1,4-5H2,2H3",AXLMPTNTPOWPLT-UHFFFAOYSA-N,C7H10O3,142.15,142.0629942,0.6,43.4,149,0,0,3,5,10,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
2-DIMETHYLAMINOETHYL CHLORIDE HYDROCHLORIDE,004584-46-7,11636816,"2-chloro-N,N-dimethylethanamine;hydrochloride",CN(C)CCCl.Cl,"InChI=1S/C4H10ClN.ClH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H",LQLJZSJKRYTKTP-UHFFFAOYSA-N,C4H11Cl2N,144.04,143.0268547,,3.2,28,0,1,1,2,7,,,0,1,0,1,0,0,1,1,0,0,1,0,0,0,0,0,1,0,1,1
PERFLUOROOCTANESULFONYL FLUORIDE,000307-35-7,9388,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl fluoride",C(C(C(C(C(F)(F)S(=O)(=O)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C8F18O2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28",BHFJBHMTEDLICO-UHFFFAOYSA-N,C8F18O2S,502.12,501.9331573,6,42.5,724,0,0,20,7,29,,154 °C,0,0,1,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,0
POTASSIUM HEPTAFLUOROTANTALATE(V),016924-00-8,28146,dipotassium;heptafluorotantalum(2-),F[Ta-2](F)(F)(F)(F)(F)F.[K+].[K+],InChI=1S/7FH.2K.Ta/h7*1H;;;/q;;;;;;;2*+1;+5/p-7,DPXAUKPQZOAHGF-UHFFFAOYSA-G,F7K2Ta,392.133,391.86423,,0,96,0,0,8,0,10,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM TETRACHLOROPALLADATE(II),010025-98-6,61438,dipotassium;tetrachloropalladium(2-),Cl[Pd-2](Cl)(Cl)Cl.[K+].[K+],InChI=1S/4ClH.2K.Pd/h4*1H;;;/q;;;;2*+1;+2/p-4,LGCKLDWLSVFMGL-UHFFFAOYSA-J,Cl4K2Pd,326.4,325.70335,,0,19,0,0,1,0,7,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
POTASSIUM HEXAFLUOROTITANATE(IV),016919-27-0,11064502,dipotassium;hexafluorotitanium(2-),F[Ti-2](F)(F)(F)(F)F.[K+].[K+],InChI=1S/6FH.2K.Ti/h6*1H;;;/q;;;;;;2*+1;+4/p-6,RXCBCUJUGULOGC-UHFFFAOYSA-H,F6K2Ti,240.054,239.8657726,,0,62,0,0,7,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,1
AMMONIUM DIHYDROGEN ARSENATE,013462-93-6,166814,azanium dihydrogen arsorate,[NH4+].O[As](=O)(O)[O-],"InChI=1S/AsH3O4.H3N/c2-1(3,4)5;/h(H3,2,3,4,5);1H3",VTWJXWNBCACAAK-UHFFFAOYSA-N,AsH6NO4,158.97,158.951277,,81.6,49,0,3,4,0,6,,,1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM HEXAFLUOROZIRCONATE,016923-95-8,56828182,dipotassium;hexafluorozirconium(2-),F[Zr-2](F)(F)(F)(F)F.[K+].[K+],InChI=1S/6FH.2K.Zr/h6*1H;;;/q;;;;;;2*+1;+4/p-6,BJZIJOLEWHWTJO-UHFFFAOYSA-H,F6K2Zr,283.41,281.822531,,0,62,0,0,7,0,9,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
PERFLUOROOCTANONITRILE,000647-12-1,69536,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanenitrile",C(#N)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C8F15N/c9-2(10,1-24)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23",FULLNJNBFUCVES-UHFFFAOYSA-N,C8F15N,395.07,394.9791214,5.1,23.8,531,0,0,16,5,24,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM HEXACHLOROOSMIATE (IV),001307-81-9,44151190,disodium;hexachloroosmium(2-),[Na+].[Na+].Cl[Os-2](Cl)(Cl)(Cl)(Cl)Cl,InChI=1S/6ClH.2Na.Os/h6*1H;;;/q;;;;;;2*+1;+4/p-6,PVTVRPSPEDISMV-UHFFFAOYSA-H,Cl6Na2Os,448.9,449.75118,,0,62,0,0,1,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BUTYL ISOTHIOCYANATE,000592-82-5,11613,1-isothiocyanatobutane,CCCCN=C=S,"InChI=1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3",LIMQQADUEULBSO-UHFFFAOYSA-N,C5H9NS,115.2,115.0455705,2.9,44.5,74,0,0,2,3,7,,168.00 °C. @ 760.00 mm Hg,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0
AMMONIUM HEXACHLOROPALLADATE(IV),019168-23-1,62732,diazanium;hexachloropalladium(2-),[NH4+].[NH4+].Cl[Pd-2](Cl)(Cl)(Cl)(Cl)Cl,InChI=1S/6ClH.2H3N.Pd/h6*1H;2*1H3;/q;;;;;;;;+4/p-4,LOLIPEAFAJNGJM-UHFFFAOYSA-J,Cl6H8N2Pd,355.2,353.78239,,2,62,0,2,1,0,9,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
AMMONIUM HEXACHLORORUTHENATE(IV),018746-63-9,46173598,diazanium;hexachlororuthenium(2-),[NH4+].[NH4+].Cl[Ru-2](Cl)(Cl)(Cl)(Cl)Cl,InChI=1S/6ClH.2H3N.Ru/h6*1H;2*1H3;/q;;;;;;;;+4/p-4,DHTSBQSPUBOKKI-UHFFFAOYSA-J,Cl6H8N2Ru,349.9,349.783255,,2,62,0,2,1,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LITHIUM DEUTEROXIDE,012159-20-5,16212284,,[2H][O-].[Li+],InChI=1S/Li.H2O/h;1H2/q+1;/p-1/i/hD,WMFOQBRAJBCJND-DYCDLGHISA-M,HLiO,25,25.02501983,,1,2,0,1,1,0,2,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ERBIUM FLUORIDE,013760-83-3,83713,trifluoroerbium,F[Er](F)F,InChI=1S/Er.3FH/h;3*1H/q+3;;;/p-3,QGJSAGBHFTXOTM-UHFFFAOYSA-K,ErF3,224.25,222.925511,,0,8,0,0,3,0,4,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEXACARBONYL VANADIUM,020644-87-5,6097005,carbon monoxide;vanadium,[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[V],InChI=1S/6CO.V/c6*1-2;,BVSRFQDQORQURQ-UHFFFAOYSA-N,C6O6V,219,218.913445,,6,10,0,0,6,0,13,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
HEXACARBONYLCHROMIUM,013007-92-6,25589,carbon monoxide;chromium,[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr],InChI=1S/6CO.Cr/c6*1-2;,KOTQLLUQLXWWDK-UHFFFAOYSA-N,C6CrO6,220.06,219.909992,,6,10,0,0,6,0,13,,"410 °F at 760 mmHg (violent decomposition) (NTP, 1992)",1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
FERRIC FLUORIDE,007783-50-8,24552,trifluoroiron,F[Fe](F)F,InChI=1S/3FH.Fe/h3*1H;/q;;;+3/p-3,SHXXPRJOPFJRHA-UHFFFAOYSA-K,F3Fe,112.84,112.930145,,0,8,0,0,3,0,4,,"Sublimes >1832.0 °F (USCG, 1999)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ZINC ARSENIDE,012006-40-5,25147458,,[Zn].[Zn]=[As].[Zn]=[As],InChI=1S/2As.3Zn,RHKSESDHCKYTHI-UHFFFAOYSA-N,As2Zn3,346,343.62751,,0,6,0,0,0,0,5,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIETHYLENE GLYCOL DICHLORIDE,000112-26-5,8171,"1,2-bis(2-chloroethoxy)ethane",C(COCCCl)OCCCl,InChI=1S/C6H12Cl2O2/c7-1-3-9-5-6-10-4-2-8/h1-6H2,AGYUOJIYYGGHKV-UHFFFAOYSA-N,C6H12Cl2O2,187.06,186.021435,1.1,18.5,53,0,0,2,7,10,250 °F; 121 °C (OPEN CUP),241.3 °C,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMMONIUM TETRACHLOROPLATINATE,013820-41-2,16211508,diazanium;tetrachloroplatinum(2-),[NH4+].[NH4+].Cl[Pt-2](Cl)(Cl)Cl,InChI=1S/4ClH.2H3N.Pt/h4*1H;2*1H3;/q;;;;;;+2/p-2,QJIMNDWDOXTTBR-UHFFFAOYSA-L,Cl4H8N2Pt,373,372.906003,,2,19,0,2,1,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0
"1,5-DICYANOPENTANE",000646-20-8,12590,heptanedinitrile,C(CCC#N)CCC#N,InChI=1S/C7H10N2/c8-6-4-2-1-3-5-7-9/h1-5H2,LLEVMYXEJUDBTA-UHFFFAOYSA-N,C7H10N2,122.17,122.0843983,0.1,47.6,125,0,0,2,4,9,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
LITHIUM HEXAFLUOROPHOSPHATE,021324-40-3,23688915,lithium hexafluorophosphate,[Li+].F[P-](F)(F)(F)(F)F,"InChI=1S/F6P.Li/c1-7(2,3,4,5)6;/q-1;+1",AXPLOJNSKRXQPA-UHFFFAOYSA-N,F6LiP,151.9,151.9801844,,0,67,0,0,7,0,8,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,0
AMMONIUM ZIRCONIUM FLUORIDE,016919-31-6,46173004,diazanium;hexafluorozirconium(2-),[NH4+].[NH4+].F[Zr-2](F)(F)(F)(F)F,InChI=1S/6FH.2H3N.Zr/h6*1H;2*1H3;/q;;;;;;;;+4/p-4,LPFRXGDQGULMEN-UHFFFAOYSA-J,F6H8N2Zr,241.29,239.963866,,2,62,0,2,7,0,9,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,1
ADIPONITRILE,000111-69-3,8128,hexanedinitrile,C(CCC#N)CC#N,InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2,BTGRAWJCKBQKAO-UHFFFAOYSA-N,C6H8N2,108.14,108.0687483,-0.3,47.6,113,0,0,2,3,8,"199.4 °F (EPA, 1998)","563 °F at 760 mmHg (EPA, 1998)",0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM SELENATE DECAHYDRATE,010102-23-5,202320,disodium;selenate;decahydrate,O.O.O.O.O.O.O.O.O.O.[O-][Se](=O)(=O)[O-].[Na+].[Na+],"InChI=1S/2Na.H2O4Se.10H2O/c;;1-5(2,3)4;;;;;;;;;;/h;;(H2,1,2,3,4);10*1H2/q2*+1;;;;;;;;;;;/p-2",TYVNFQRMDPFYPC-UHFFFAOYSA-L,H20Na2O14Se,369.1,369.98137,,90.3,62,0,10,14,0,17,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
VANADIUM (III) ACETYLACETONATE,013476-99-8,5377225,tris((Z)-4-hydroxypent-3-en-2-one);vanadium,C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.[V],"InChI=1S/3C5H8O2.V/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/b3*4-3-;",MFWFDRBPQDXFRC-LNTINUHCSA-N,C15H24O6V,351.29,351.101246,,112,380,0,3,6,3,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ALUMINUM ARSENIDE,022831-42-1,89859,alumanylidynearsane,[Al]#[As],InChI=1S/Al.As,MDPILPRLPQYEEN-UHFFFAOYSA-N,AlAs,101.90313,101.903133,,0,10,0,0,0,0,2,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
GALLIUM SELENIDE,012024-24-7,165985,digallium;tris(selenium(2-)),[Ga+3].[Ga+3].[Se-2].[Se-2].[Se-2],InChI=1S/2Ga.3Se/q2*+3;3*-2,ZZEMEJKDTZOXOI-UHFFFAOYSA-N,Ga2Se3,376.4,377.60063,,0,0,0,0,3,0,5,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
INDIUM SELENIDE,012056-07-4,166055,bis(indium(3+));tris(selenium(2-)),[Se-2].[Se-2].[Se-2].[In+3].[In+3],InChI=1S/2In.3Se/q2*+3;3*-2,AKUCEXGLFUSJCD-UHFFFAOYSA-N,In2Se3,466.5,467.55811,,0,0,0,0,3,0,5,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
SELENIUM(IV) CHLORIDE,010026-03-6,66205,,Cl[Se](Cl)(Cl)Cl,"InChI=1S/Cl4Se/c1-5(2,3)4",LNBXMNQCXXEHFT-UHFFFAOYSA-N,Cl4Se,220.8,221.78898,,0,19,0,0,0,0,5,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"1,2,3-TRIS(2-CYANOETHOXY)PROPANE",002465-93-2,75572,"3-[2,3-bis(2-cyanoethoxy)propoxy]propanenitrile",C(COCC(COCCC#N)OCCC#N)C#N,"InChI=1S/C12H17N3O3/c13-4-1-7-16-10-12(18-9-3-6-15)11-17-8-2-5-14/h12H,1-3,7-11H2",ALGVJKNIAOBBBJ-UHFFFAOYSA-N,C12H17N3O3,251.28,251.1269914,-1.1,99.1,319,0,0,6,11,18,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COPPER SELENIDE,001317-41-5,73980,copper selenium(2-),[Cu+2].[Se-2],InChI=1S/Cu.Se/q+2;-2,QMULOZLYOQCZOH-UHFFFAOYSA-N,CuSe,142.52,142.84612,,0,0,0,0,1,0,2,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
MANGANESE CARBONYL,010170-69-1,6096972,carbon monoxide;manganese,[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].[Mn],InChI=1S/10CO.2Mn/c10*1-2;;,QFEOTYVTTQCYAZ-UHFFFAOYSA-N,C10Mn2O10,389.98,389.825232,,10,10,0,0,10,0,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
AMPSO,068399-79-1,100211,2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propane-1-sulfonic acid,CC(C)(CO)NCC(CS(=O)(=O)O)O,"InChI=1S/C7H17NO5S/c1-7(2,5-9)8-3-6(10)4-14(11,12)13/h6,8-10H,3-5H2,1-2H3,(H,11,12,13)",ACERFIHBIWMFOR-UHFFFAOYSA-N,C7H17NO5S,227.28,227.0827438,-4.3,115,256,0,4,6,6,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIBUTYLTIN ACETATE,000056-36-0,16682741,tributylstannyl acetate,CCCC[Sn](CCCC)(CCCC)OC(=O)C,"InChI=1S/3C4H9.C2H4O2.Sn/c3*1-3-4-2;1-2(3)4;/h3*1,3-4H2,2H3;1H3,(H,3,4);/q;;;;+1/p-1",PWBHRVGYSMBMIO-UHFFFAOYSA-M,C14H30O2Sn,349.1,350.126783,,26.3,183,0,0,2,11,17,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
METHYL ISOTHIOCYANATE,000556-61-6,11167,methylimino(sulfanylidene)methane,CN=C=S,InChI=1S/C2H3NS/c1-3-2-4/h1H3,LGDSHSYDSCRFAB-UHFFFAOYSA-N,C2H3NS,73.12,72.99862027,0.9,44.5,44,0,0,2,0,4,20 °F,"246 °F at 760 mmHg (EPA, 1998)",1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
SULFURYL CHLORIDE FLUORIDE,013637-84-8,26159,sulfuryl chloride fluoride,O=S(=O)(F)Cl,"InChI=1S/ClFO2S/c1-5(2,3)4",IXPAAHZTOUOJJM-UHFFFAOYSA-N,ClFO2S,118.52,117.9291563,0.9,42.5,95,0,0,3,0,5,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TRIS(2-AMINOETHYL)AMINE,004097-89-6,77731,"N',N'-bis(2-aminoethyl)ethane-1,2-diamine",C(CN(CCN)CCN)N,InChI=1S/C6H18N4/c7-1-4-10(5-2-8)6-3-9/h1-9H2,MBYLVOKEDDQJDY-UHFFFAOYSA-N,C6H18N4,146.23,146.1531466,-2.6,81.3,52,0,3,4,6,10,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CADMIUM FLUORIDE,007790-79-6,24634,difluorocadmium,F[Cd]F,InChI=1S/Cd.2FH/h;2*1H/q+2;;/p-2,LVEULQCPJDDSLD-UHFFFAOYSA-L,CdF2,150.41,151.900171,,0,2,0,0,2,0,3,,,1,0,1,1,0,1,1,0,0,0,1,0,0,1,0,0,0,0,1,0
DIBUTYL TIN DICHLORIDE,000683-18-1,12688,dibutyl(dichloro)stannane,CCCC[Sn](CCCC)(Cl)Cl,"InChI=1S/2C4H9.2ClH.Sn/c2*1-3-4-2;;;/h2*1,3-4H2,2H3;2*1H;/q;;;;+2/p-2",RJGHQTVXGKYATR-UHFFFAOYSA-L,C8H18Cl2Sn,303.84,303.980759,,0,84,0,0,0,6,11,335 °F (open cup),135 °C @ 10 mm Hg,1,1,1,1,0,0,1,0,0,0,1,0,0,1,0,0,1,0,1,0
SILICON (IV) IODIDE,013465-84-4,83498,tetraiodosilane,[Si](I)(I)(I)I,"InChI=1S/I4Si/c1-5(2,3)4",CFTHARXEQHJSEH-UHFFFAOYSA-N,I4Si,535.703,535.5948,,0,19,0,0,0,0,5,,,0,1,0,1,0,0,0,0,0,0,0,0,0,1,1,0,1,1,0,0
"RUTHENIUM(III)2,4-PENTANEDIONATE",014284-93-6,5462865,tris((Z)-4-hydroxypent-3-en-2-one);ruthenium,C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.[Ru],"InChI=1S/3C5H8O2.Ru/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/b3*4-3-;",IYWJIYWFPADQAN-LNTINUHCSA-N,C15H24O6Ru,401.4,402.061629,,112,380,0,3,6,3,22,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,5-HEXADIENE-3,4-DIOL",001069-23-4,14042,"hexa-1,5-diene-3,4-diol",C=CC(C(C=C)O)O,"InChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-8H,1-2H2",KUQWZSZYIQGTHT-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,0.2,40.5,76,0,2,2,3,8,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
GLUTARYL DICHLORIDE,002873-74-7,17887,pentanedioyl dichloride,C(CC(=O)Cl)CC(=O)Cl,InChI=1S/C5H6Cl2O2/c6-4(8)2-1-3-5(7)9/h1-3H2,YVOFTMXWTWHRBH-UHFFFAOYSA-N,C5H6Cl2O2,169,167.9744848,1.5,34.1,108,0,0,2,4,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
N-NITROSODIMETHYLAMINE-D6,017829-05-9,146418,"N,N-bis(trideuteriomethyl)nitrous amide",[2H]C([2H])([2H])N(C([2H])([2H])[2H])N=O,"InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3/i1D3,2D3",UMFJAHHVKNCGLG-WFGJKAKNSA-N,C2H6N2O,80.12,80.0856733,-0.6,32.7,34,0,0,3,0,5,,,0,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
LEAD SELENATE,007446-15-3,53471519,lead(2+) selenate,[O-][Se](=O)(=O)[O-].[Pb+2],"InChI=1S/H2O4Se.Pb/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2",PKMXSWXQNCMWNG-UHFFFAOYSA-L,O4PbSe,350,351.87283,,80.3,62,0,0,4,0,6,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
GLUTARONITRILE,000544-13-8,10994,pentanedinitrile,C(CC#N)CC#N,InChI=1S/C5H6N2/c6-4-2-1-3-5-7/h1-3H2,ZTOMUSMDRMJOTH-UHFFFAOYSA-N,C5H6N2,94.11,94.0530982,-0.7,47.6,104,0,0,2,2,7,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
HEXYL CHLOROFORMATE,006092-54-2,22466,hexyl carbonochloridate,CCCCCCOC(=O)Cl,"InChI=1S/C7H13ClO2/c1-2-3-4-5-6-10-7(8)9/h2-6H2,1H3",KIWBRXCOTCXSSZ-UHFFFAOYSA-N,C7H13ClO2,164.63,164.0604073,3.5,26.3,93,0,0,2,6,10,,60-61 °C at 7 mm Hg,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
METHOXYETHYL MERCURY CHLORIDE,000123-88-6,12521357,chloro(2-methoxyethyl)mercury,COCC[Hg]Cl,"InChI=1S/C3H7O.ClH.Hg/c1-3-4-2;;/h1,3H2,2H3;1H;/q;;+1/p-1",VJTAZCKMHINUKO-UHFFFAOYSA-M,C3H7ClHgO,295.13,295.989186,,9.2,26,0,0,1,2,6,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,1,0
THULIUM (III) FLUORIDE,013760-79-7,83710,trifluorothulium,F[Tm](F)F,InChI=1S/3FH.Tm/h3*1H;/q;;;+3/p-3,AATUHDXSJTXIHB-UHFFFAOYSA-K,F3Tm,225.92943,225.929428,,0,8,0,0,3,0,4,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ALUMINUM SELENIDE,001302-82-5,164804,dialuminum;tris(selenium(2-)),[Al+3].[Al+3].[Se-2].[Se-2].[Se-2],InChI=1S/2Al.3Se/q2*+3;3*-2,CYRGZAAAWQRSMF-UHFFFAOYSA-N,Al2Se3,290.9,291.71343,,0,0,0,0,3,0,5,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
BIS(TRIETHOXYSILYL)METHANE,018418-72-9,9798044,triethoxy(triethoxysilylmethyl)silane,CCO[Si](C[Si](OCC)(OCC)OCC)(OCC)OCC,"InChI=1S/C13H32O6Si2/c1-7-14-20(15-8-2,16-9-3)13-21(17-10-4,18-11-5)19-12-6/h7-13H2,1-6H3",NIINUVYELHEORX-UHFFFAOYSA-N,C13H32O6Si2,340.56,340.1737418,,55.4,197,0,0,6,14,21,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-OCTYL ISOTHIOCYANATE,004430-45-9,78161,1-isothiocyanatooctane,CCCCCCCCN=C=S,"InChI=1S/C9H17NS/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3",YEZHGQZHWKJPCM-UHFFFAOYSA-N,C9H17NS,171.31,171.1081707,5,44.5,117,0,0,2,7,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"EUROPIUM (II) FLUORIDE, ANHYDROUS",014077-39-5,21225127,europium(2+) difluoride,[F-].[F-].[Eu+2],InChI=1S/Eu.2FH/h;2*1H/q+2;;/p-2,YLDGIMHVWSTRML-UHFFFAOYSA-L,EuF2,189.961,190.91804,,0,0,0,0,2,0,3,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"N,N-DIISOPROPYLFORMAMIDE",002700-30-3,75912,"N,N-di(propan-2-yl)formamide",CC(C)N(C=O)C(C)C,"InChI=1S/C7H15NO/c1-6(2)8(5-9)7(3)4/h5-7H,1-4H3",UNBDDZDKBWPHAX-UHFFFAOYSA-N,C7H15NO,129.2,129.1153641,1.3,20.3,80,0,0,1,2,9,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
METHANESELENINIC ACID,028274-57-9,161597,methaneseleninic acid,C[Se](=O)O,"InChI=1S/CH4O2Se/c1-4(2)3/h1H3,(H,2,3)",UEQANLFPOFICBH-UHFFFAOYSA-N,CH4O2Se,127.01,127.93765,,37.3,33,0,1,2,0,4,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,1,0
DIMETHYL SELENIDE,000593-79-3,11648,methylselanylmethane,C[Se]C,InChI=1S/C2H6Se/c1-3-2/h1-2H3,RVIXKDRPFPUUOO-UHFFFAOYSA-N,C2H6Se,109.04,109.96347,,0,2,0,0,0,0,3,,57 °C,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
2-BROMOPROPIONIC ACID,000598-72-1,11729,2-bromopropanoic acid,CC(C(=O)O)Br,"InChI=1S/C3H5BrO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)",MONMFXREYOKQTI-UHFFFAOYSA-N,C3H5BrO2,152.97,151.94729,0.9,37.3,61,0,1,2,1,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
COBALT (III) FLUORIDE,010026-18-3,66208,trifluorocobalt,F[Co](F)F,InChI=1S/Co.3FH/h;3*1H/q+3;;;/p-3,WZJQNLGQTOCWDS-UHFFFAOYSA-K,CoF3,115.9284,115.928403,,0,8,0,0,3,0,4,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"S,S,S-TRIBUTYLPHOSPHOROTRITHIOATE",000078-48-8,5125,1-bis(butylsulfanyl)phosphorylsulfanylbutane,CCCCSP(=O)(SCCCC)SCCCC,"InChI=1S/C12H27OPS3/c1-4-7-10-15-14(13,16-11-8-5-2)17-12-9-6-3/h4-12H2,1-3H3",ZOKXUAHZSKEQSS-UHFFFAOYSA-N,C12H27OPS3,314.5,314.096166,3.2,93,179,0,0,4,12,17,,210 °C at 750 mm Hg,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-CYANOETHYL ESTER 2-PROPENOIC ACID,000106-71-8,7825,2-cyanoethyl prop-2-enoate,C=CC(=O)OCCC#N,"InChI=1S/C6H7NO2/c1-2-6(8)9-5-3-4-7/h2H,1,3,5H2",AEPWOCLBLLCOGZ-UHFFFAOYSA-N,C6H7NO2,125.13,125.0476785,0.6,50.1,154,0,0,3,4,9,124 °C,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ACETONE SEMICARBAZONE,000110-20-3,66965,(propan-2-ylideneamino)urea,CC(=NNC(=O)N)C,"InChI=1S/C4H9N3O/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8)",HQDAJGNZGNZGCO-UHFFFAOYSA-N,C4H9N3O,115.13,115.0745619,-0.8,67.5,114,0,2,2,1,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-DIMETHYL-2-THIOUREA",000534-13-4,2723631,"1,3-dimethylthiourea",CNC(=S)NC,"InChI=1S/C3H8N2S/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)",VLCDUOXHFNUCKK-UHFFFAOYSA-N,C3H8N2S,104.18,104.0408194,-0.2,56.2,46,0,2,1,0,6,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,1-DIBROMOETHANE",000557-91-5,11201,"1,1-dibromoethane",CC(Br)Br,"InChI=1S/C2H4Br2/c1-2(3)4/h2H,1H3",APQIUTYORBAGEZ-UHFFFAOYSA-N,C2H4Br2,187.86,187.86593,2.3,0,11,0,0,0,0,4,,108.0 °C,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-CHLOROBUTANENITRILE,000628-20-6,12336,4-chlorobutanenitrile,C(CC#N)CCl,InChI=1S/C4H6ClN/c5-3-1-2-4-6/h1-3H2,ZFCFBWSVQWGOJJ-UHFFFAOYSA-N,C4H6ClN,103.55,103.0188769,0.6,23.8,61,0,0,1,2,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, HYDRAZIDE",001068-57-1,14039,acetohydrazide,CC(=O)NN,"InChI=1S/C2H6N2O/c1-2(5)4-3/h3H2,1H3,(H,4,5)",OFLXLNCGODUUOT-UHFFFAOYSA-N,C2H6N2O,74.08,74.04801282,-1.6,55.1,42,0,2,2,0,5,,,1,0,1,1,0,1,1,1,0,0,1,0,0,0,0,0,1,0,0,0
ETHYL DICHLOROPHOSPHATE,001498-51-7,15158,1-dichlorophosphoryloxyethane,CCOP(=O)(Cl)Cl,"InChI=1S/C2H5Cl2O2P/c1-2-6-7(3,4)5/h2H2,1H3",YZBOZNXACBQJHI-UHFFFAOYSA-N,C2H5Cl2O2P,162.94,161.9404218,1.4,26.3,87,0,0,2,2,7,,"333 °F at 760 mmHg (USCG, 1999)",0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TETRAISOPROPYL METHYLENEDIPHOSPHONATE,001660-95-3,74266,2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]oxypropane,CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C,"InChI=1S/C13H30O6P2/c1-10(2)16-20(14,17-11(3)4)9-21(15,18-12(5)6)19-13(7)8/h10-13H,9H2,1-8H3",ODTQUKVFOLFLIQ-UHFFFAOYSA-N,C13H30O6P2,344.32,344.1517627,2,71.1,328,0,0,6,10,21,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
DECANEDINITRILE,001871-96-1,74639,decanedinitrile,C(CCCCC#N)CCCC#N,InChI=1S/C10H16N2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-8H2,DFJYZCUIKPGCSG-UHFFFAOYSA-N,C10H16N2,164.25,164.1313485,1.8,47.6,157,0,0,2,7,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BROMO-N,N,N-TRIMETHYLETHANAMINIUM BROMIDE",002758-06-7,17689,2-bromoethyl(trimethyl)azanium bromide,C[N+](C)(C)CCBr.[Br-],"InChI=1S/C5H13BrN.BrH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1",OINMNSFDYTYXEQ-UHFFFAOYSA-M,C5H13Br2N,246.97,246.93943,,0,46,0,0,1,2,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRILITHIUM ARSENATE,013478-14-3,166828,trilithium;arsorate,[Li+].[Li+].[Li+].[O-][As](=O)([O-])[O-],"InChI=1S/AsH3O4.3Li/c2-1(3,4)5;;;/h(H3,2,3,4,5);;;/q;3*+1/p-3",VKJKOXNPYVUXNC-UHFFFAOYSA-K,AsLi3O4,159.8,159.949263,,86.3,36,0,0,4,0,8,,,1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
SCANDIUM FLUORIDE,013709-47-2,83678,trifluoroscandium,F[Sc](F)F,InChI=1S/3FH.Sc/h3*1H;/q;;;+3/p-3,OEKDNFRQVZLFBZ-UHFFFAOYSA-K,F3Sc,101.95112,101.951117,,0,8,0,0,3,0,4,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LITHIUM CHROMATE,014307-35-8,26627,dilithium;dioxido(dioxo)chromium,[Li+].[Li+].[O-][Cr](=O)(=O)[O-],InChI=1S/Cr.2Li.4O/q;2*+1;;;2*-1,JQVALDCWTQRVQE-UHFFFAOYSA-N,CrLi2O4,129.9,129.95217,,80.3,62,0,0,4,0,7,,,1,1,1,1,0,1,1,0,0,0,1,0,0,1,1,0,0,1,1,0
CHLORO(TRIETHYLPHOSPHINE)GOLD,015529-90-5,3032639,gold(1+);triethylphosphane;chloride,CCP(CC)CC.[Cl-].[Au+],"InChI=1S/C6H15P.Au.ClH/c1-4-7(5-2)6-3;;/h4-6H2,1-3H3;;1H/q;+1;/p-1",SYBBXLKWGHAVHP-UHFFFAOYSA-M,C6H15AuClP,350.58,350.02656,,0,25,0,0,1,3,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TRICHLORO(2,4,4-TRIMETHYLPENTYL)SILANE",018379-25-4,86714,"trichloro(2,4,4-trimethylpentyl)silane",CC(CC(C)(C)C)C[Si](Cl)(Cl)Cl,"InChI=1S/C8H17Cl3Si/c1-7(5-8(2,3)4)6-12(9,10)11/h7H,5-6H2,1-4H3",XEPLIPFTDXHUHB-UHFFFAOYSA-N,C8H17Cl3Si,247.7,246.01651,,0,134,0,0,0,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4,4-DIMETHYL-3-OXOPENTANENITRILE",059997-51-2,108871,"4,4-dimethyl-3-oxopentanenitrile",CC(C)(C)C(=O)CC#N,"InChI=1S/C7H11NO/c1-7(2,3)6(9)4-5-8/h4H2,1-3H3",MXZMACXOMZKYHJ-UHFFFAOYSA-N,C7H11NO,125.17,125.084064,1.2,40.9,155,0,0,2,2,9,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,2'-[1,2-ETHANEDIYLBIS(OXY)]BISETHANETHIOL",014970-87-7,84733,2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol,C(COCCS)OCCS,"InChI=1S/C6H14O2S2/c9-5-3-7-1-2-8-4-6-10/h9-10H,1-6H2",HCZMHWVFVZAHCR-UHFFFAOYSA-N,C6H14O2S2,182.3,182.043522,0.5,20.5,53,0,2,4,7,10,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATE)BARIUM(II)",017594-47-7,6916886,"barium(2+);bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)",CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.[Ba+2],"InChI=1S/2C11H20O2.Ba/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*7,12H,1-6H3;/q;;+2/p-2/b2*8-7-;",NYBMVAOYALBBBH-ATMONBRVSA-L,C22H38BaO4,503.9,504.182257,,80.3,199,0,0,4,6,27,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3',3""-NITRILOTRISPROPANENITRILE",007528-78-1,82028,3-[bis(2-cyanoethyl)amino]propanenitrile,C(CN(CCC#N)CCC#N)C#N,"InChI=1S/C9H12N4/c10-4-1-7-13(8-2-5-11)9-3-6-12/h1-3,7-9H2",FYYPYNRGACGNNN-UHFFFAOYSA-N,C9H12N4,176.22,176.1061964,-0.7,74.6,220,0,0,4,6,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PENTACARBONYLCHLORORHENIUM,014099-01-5,6096982,carbon monoxide;chlororhenium,[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].Cl[Re],InChI=1S/5CO.ClH.Re/c5*1-2;;/h;;;;;1H;/q;;;;;;+1/p-1,JQUUAHKBIXPQAP-UHFFFAOYSA-M,C5ClO5Re,361.71,361.899178,,5,12,0,0,5,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ZINC SELENATE,013597-54-1,9813131,zinc selenate,[O-][Se](=O)(=O)[O-].[Zn+2],"InChI=1S/H2O4Se.Zn/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2",GQLBMRKEAODAKR-UHFFFAOYSA-L,O4SeZn,208.3,207.82532,,80.3,62,0,0,4,0,6,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
CACODYLIC ACID-D7,093954-09-7,131887990,trideuterio-[deuteriooxy(trideuteriomethyl)arsoryl]methane,[2H]C([2H])([2H])[As](=O)(C([2H])([2H])[2H])O[2H],"InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)/i1D3,2D3/hD",OGGXGZAMXPVRFZ-KBKLHOFPSA-N,C2H7AsO2,145.04,145.010136,,37.3,62,0,1,2,0,5,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
5-CHLOROVALERONITRILE,006280-87-1,80474,5-chloropentanenitrile,C(CCCl)CC#N,InChI=1S/C5H8ClN/c6-4-2-1-3-5-7/h1-4H2,JSAWFGSXRPCFSW-UHFFFAOYSA-N,C5H8ClN,117.58,117.034527,1.2,23.8,71,0,0,1,3,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ALLYLTRIBUTYLSTANNANE,024850-33-7,90628,tributyl(prop-2-enyl)stannane,CCCC[Sn](CCCC)(CCCC)CC=C,"InChI=1S/3C4H9.C3H5.Sn/c3*1-3-4-2;1-3-2;/h3*1,3-4H2,2H3;3H,1-2H2;",YLGRTLMDMVAFNI-UHFFFAOYSA-N,C15H32Sn,331.12,332.152604,,0,141,0,0,0,11,16,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
(S)-(-)-2-ACETOXYPROPIONIC ACID,006034-46-4,6326324,(2S)-2-acetyloxypropanoic acid,C[C@@H](C(=O)O)OC(=O)C,"InChI=1S/C5H8O4/c1-3(5(7)8)9-4(2)6/h3H,1-2H3,(H,7,8)/t3-/m0/s1",WTLNOANVTIKPEE-VKHMYHEASA-N,C5H8O4,132.11,132.0422587,0.1,63.6,129,0,1,4,3,9,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-HYDROXYGLUTARONITRILE,013880-89-2,361762,3-hydroxypentanedinitrile,C(C#N)C(CC#N)O,"InChI=1S/C5H6N2O/c6-3-1-5(8)2-4-7/h5,8H,1-2H2",NMFITULDMUZCQD-UHFFFAOYSA-N,C5H6N2O,110.11,110.0480128,-1,67.8,128,0,1,3,2,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHYLENE GLYCOL BIS(2-CHLOROETHYL) ETHER,000638-56-2,61187,1-(2-chloroethoxy)-2-[2-(2-chloroethoxy)ethoxy]ethane,C(COCCCl)OCCOCCCl,InChI=1S/C8H16Cl2O3/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-8H2,ZCFRYTWBXNQVOW-UHFFFAOYSA-N,C8H16Cl2O3,231.11,230.0476498,1,27.7,83,0,0,3,10,13,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ARSENIC(V) SULFIDE,001303-34-0,3371533,[bis(sulfanylidene)-lambda5-arsanyl]sulfanyl-bis(sulfanylidene)-lambda5-arsane,S=[As](=S)S[As](=S)=S,InChI=1S/As2S5/c3-1(4)7-2(5)6,AYRZLUSHOXJGKY-UHFFFAOYSA-N,As2S5,310.2,309.70354,,154,123,0,0,5,0,7,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-DIBROMOETHANE-D4",022581-63-1,123404,"1,2-dibromo-1,1,2,2-tetradeuterioethane",[2H]C([2H])(C([2H])([2H])Br)Br,"InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2/i1D2,2D2",PAAZPARNPHGIKF-LNLMKGTHSA-N,C2H4Br2,191.89,191.89103,2,0,6,0,0,0,1,4,,,0,1,1,1,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIS(2-CYANOETHYL)PHOSPHINE,004023-53-4,77639,3-[bis(2-cyanoethyl)phosphanyl]propanenitrile,C(CP(CCC#N)CCC#N)C#N,"InChI=1S/C9H12N3P/c10-4-1-7-13(8-2-5-11)9-3-6-12/h1-3,7-9H2",CHZAMJVESILJGH-UHFFFAOYSA-N,C9H12N3P,193.19,193.0768844,-1,71.4,223,0,0,3,6,13,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IODOTRIBUTYLSTANNANE,007342-47-4,23765,tributyl(iodo)stannane,CCCC[Sn](CCCC)(CCCC)I,"InChI=1S/3C4H9.HI.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1",YHHVXVNXTMIXOL-UHFFFAOYSA-M,C12H27ISn,416.96,418.01795,,0,104,0,0,0,9,14,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"TRANS-1,2-BIS(TRIBUTYLSTANNYL)ETHENE",014275-61-7,5378370,tributyl-[(E)-2-tributylstannylethenyl]stannane,CCCC[Sn](CCCC)(CCCC)/C=C/[Sn](CCCC)(CCCC)CCCC,"InChI=1S/6C4H9.C2H2.2Sn/c6*1-3-4-2;1-2;;/h6*1,3-4H2,2H3;1-2H;;",VNKOWRBFAJTPLS-UHFFFAOYSA-N,C26H56Sn2,606.1,606.24201,,0,284,0,0,0,20,28,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"(S)-DICHLORO(2-(((2,3-DIHYDROXYPROPOXY)HYDROXYPHOSPHINYL)OXY)TRIETHYLMETHYLAMMONIUMATO)CADMIUM",064681-08-9,11305256,"dichlorocadmium;2,3-dihydroxypropyl 2-(trimethylazaniumyl)ethyl phosphate",C[N+](C)(C)CCOP(=O)([O-])OCC(CO)O.Cl[Cd]Cl,"InChI=1S/C8H20NO6P.Cd.2ClH/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10;;;/h8,10-11H,4-7H2,1-3H3;;2*1H/q;+2;;/p-2",RCOWLNSSDOITMP-UHFFFAOYSA-L,C8H20CdCl2NO6P,440.54,440.943895,,99.1,236,0,2,6,8,19,,,1,1,1,1,0,1,1,0,0,0,1,0,0,1,0,0,0,0,1,0
SODIUM HEXAFLUOROARSENATE,012005-86-6,14205726,sodium hexafluoroarsenic(1-),F[As-](F)(F)(F)(F)F.[Na+],"InChI=1S/AsF6.Na/c2-1(3,4,5,6)7;/q-1;+1",NFXMAZFYHDSPPB-UHFFFAOYSA-N,AsF6Na,211.90178,211.901783,,0,62,0,0,7,0,8,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DIETHYL VINYLPHOSPHATE,000682-30-4,69629,1-[ethenyl(ethoxy)phosphoryl]oxyethane,CCOP(=O)(C=C)OCC,"InChI=1S/C6H13O3P/c1-4-8-10(7,6-3)9-5-2/h6H,3-5H2,1-2H3",DREPONDJUKIQLX-UHFFFAOYSA-N,C6H13O3P,164.14,164.0602313,0.7,35.5,134,0,0,3,5,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PERFLUORONONANOYL CHLORIDE,052447-23-1,2776252,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl chloride",C(=O)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cl,"InChI=1S/C9ClF17O/c10-1(28)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)27",MPWXHQITWLFMQM-UHFFFAOYSA-N,C9ClF17O,482.52,481.9366211,6.6,17.1,617,0,0,18,7,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIMETHYLMALONONITRILE,007321-55-3,23742,"2,2-dimethylpropanedinitrile",CC(C)(C#N)C#N,"InChI=1S/C5H6N2/c1-5(2,3-6)4-7/h1-2H3",BCMJJXWXMZYZKN-UHFFFAOYSA-N,C5H6N2,94.11,94.0530982,0.8,47.6,131,0,0,2,0,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NICKEL CHLORIDE HYDRATE,069098-15-3,16212333,dichloronickel;hydrate,O.Cl[Ni]Cl,InChI=1S/2ClH.Ni.H2O/h2*1H;;1H2/q;;+2;/p-2,HGGYAQHDNDUIIQ-UHFFFAOYSA-L,Cl2H2NiO,147.61,145.883612,,1,2,0,1,1,0,4,,,1,0,1,1,0,1,1,0,0,0,1,0,0,1,1,0,1,1,1,0
BUTYLTRIMETHYLAMMONIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE,258273-75-5,12991988,bis(trifluoromethylsulfonyl)azanide;butyl(trimethyl)azanium,CCCC[N+](C)(C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F,"InChI=1S/C7H18N.C2F6NO4S2/c1-5-6-7-8(2,3)4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-7H2,1-4H3;/q+1;-1",XSGKJXQWZSFJEJ-UHFFFAOYSA-N,C9H18F6N2O4S2,396.4,396.0612184,,86,426,0,0,11,5,23,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TETRAMETHYLAMMONIUM HEXAFLUOROPHOSPHATE,000558-32-7,11209,tetramethylazanium hexafluorophosphate,C[N+](C)(C)C.F[P-](F)(F)(F)(F)F,"InChI=1S/C4H12N.F6P/c1-5(2,3)4;1-7(2,3,4,5)6/h1-4H3;/q+1;-1",ZFKULDQWLXAKIM-UHFFFAOYSA-N,C4H12F6NP,219.11,219.0611554,,0,81,0,0,7,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANETRICARBONITRILE, ION(1-), SODIUM",036603-80-2,24840070,sodium methanetricarbonitrile,C(#N)[C-](C#N)C#N.[Na+],InChI=1S/C4N3.Na/c5-1-4(2-6)3-7;/q-1;+1,LOYHZHALCDOXIK-UHFFFAOYSA-N,C4N3Na,113.05,112.9989913,,71.4,155,0,0,4,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
3-BUTYNOIC ACID,002345-51-9,137547,but-3-ynoic acid,C#CCC(=O)O,"InChI=1S/C4H4O2/c1-2-3-4(5)6/h1H,3H2,(H,5,6)",KKAHGSQLSTUDAV-UHFFFAOYSA-N,C4H4O2,84.07,84.02112937,0,37.3,95,0,1,2,1,6,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
3-(METHYLSULFONYL)-1-PROPANOL,002058-49-3,200424,3-methylsulfonylpropan-1-ol,CS(=O)(=O)CCCO,"InChI=1S/C4H10O3S/c1-8(6,7)4-2-3-5/h5H,2-4H2,1H3",XPXXXQZNUQAFQY-UHFFFAOYSA-N,C4H10O3S,138.19,138.0350654,-0.7,62.8,130,0,1,3,3,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
2-(2-METHOXYETHOXY)ETHANAMINE,031576-51-9,520530,2-(2-methoxyethoxy)ethanamine,COCCOCCN,"InChI=1S/C5H13NO2/c1-7-4-5-8-3-2-6/h2-6H2,1H3",QWCGXANSAOXRFE-UHFFFAOYSA-N,C5H13NO2,119.16,119.0946287,-1.2,44.5,41,0,1,3,5,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYLMALONONITRILE,003696-36-4,19425,2-methylpropanedinitrile,CC(C#N)C#N,"InChI=1S/C4H4N2/c1-4(2-5)3-6/h4H,1H3",LXUTYOVUICAOGH-UHFFFAOYSA-N,C4H4N2,80.09,80.03744814,0.4,47.6,103,0,0,2,0,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-(((HEXADECYLOXY)HYDROXYPHOSPHINYL)OXY)-N,N,N-TRIMETHYLETHANAMINIUM HYDROXIDE, INNER SALT",058066-85-6,3599,hexadecyl 2-(trimethylazaniumyl)ethyl phosphate,CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C,"InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3",PQLXHQMOHUQAKB-UHFFFAOYSA-N,C21H46NO4P,407.6,407.316446,6.7,58.6,363,0,0,4,20,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,1,0,0,0,1,0
POTASSIUM FLUORIDE DIHYDRATE,013455-21-5,23708904,potassium;fluoride;dihydrate,O.O.[F-].[K+],InChI=1S/FH.K.2H2O/h1H;;2*1H2/q;+1;;/p-1,MZFXHSQFQLKKFD-UHFFFAOYSA-M,FH4KO2,94.127,93.98323901,,2,2,0,2,3,0,4,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM BIS(FLUOROSULFONYL)IMIDE,100669-96-3,102310776,sodium bis(fluorosulfonyl)azanide,[N-](S(=O)(=O)F)S(=O)(=O)F.[Na+],"InChI=1S/F2NO4S2.Na/c1-8(4,5)3-9(2,6)7;/q-1;+1",VCCATSJUUVERFU-UHFFFAOYSA-N,F2NNaO4S2,203.13,202.9134504,,86,235,0,0,7,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM TETRACYANONICKELATE(II) HYDRATE,339527-86-5,203406,dipotassium;nickel(2+);tetracyanide;hydrate,[C-]#N.[C-]#N.[C-]#N.[C-]#N.O.[K+].[K+].[Ni+2],InChI=1S/4CN.2K.Ni.H2O/c4*1-2;;;;/h;;;;;;;1H2/q4*-1;2*+1;+2;,VQZJEIWYJQFLFX-UHFFFAOYSA-N,C4H2K2N4NiO,258.98,257.885615,,96.2,10,0,1,9,0,12,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"CARBAMIMIDOTHIOIC ACID, ETHYL ESTER, MONOHYDROBROMIDE",001071-37-0,200213,ethyl carbamimidothioate;hydrobromide,CCSC(=N)N.Br,"InChI=1S/C3H8N2S.BrH/c1-2-6-3(4)5;/h2H2,1H3,(H3,4,5);1H",SWXXKWPYNMZFTE-UHFFFAOYSA-N,C3H9BrN2S,185.09,183.96698,,75.2,52,0,3,2,2,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BUTENYLAMINE HYDROCHLORIDE,017875-18-2,12363007,but-3-en-1-amine;hydrochloride,C=CCCN.Cl,"InChI=1S/C4H9N.ClH/c1-2-3-4-5;/h2H,1,3-5H2;1H",MKEXLMVYRUNCQJ-UHFFFAOYSA-N,C4H10ClN,107.58,107.050177,,26,24,0,2,1,2,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
4-PENTEN-1-AMINE,022537-07-1,533854,pent-4-en-1-amine,C=CCCCN,"InChI=1S/C5H11N/c1-2-3-4-5-6/h2H,1,3-6H2",UVBBCQLPTZEDHT-UHFFFAOYSA-N,C5H11N,85.15,85.08914936,0.7,26,32,0,1,1,3,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
HYDRAZINECARBOXAMIDE,000057-56-7,5196,aminourea,C(=O)(N)NN,"InChI=1S/CH5N3O/c2-1(5)4-3/h3H2,(H3,2,4,5)",DUIOPKIIICUYRZ-UHFFFAOYSA-N,CH5N3O,75.07,75.04326179,-1.8,81.1,42,0,3,2,0,5,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-CYANO-3-ETHOXY-, ETHYL ESTER",000094-05-3,1715183,ethyl (E)-2-cyano-3-ethoxyprop-2-enoate,CCO/C=C(\C#N)/C(=O)OCC,"InChI=1S/C8H11NO3/c1-3-11-6-7(5-9)8(10)12-4-2/h6H,3-4H2,1-2H3/b7-6+",KTMGNAIGXYODKQ-VOTSOKGWSA-N,C8H11NO3,169.18,169.0738932,1,59.3,224,0,0,4,5,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"Carbamic acid, methyl-, ethyl ester",000105-40-8,7752,ethyl N-methylcarbamate,CCOC(=O)NC,"InChI=1S/C4H9NO2/c1-3-7-4(6)5-2/h3H2,1-2H3,(H,5,6)",SURZCVYFPAXNGN-UHFFFAOYSA-N,C4H9NO2,103.12,103.0633285,0.3,38.3,62,0,1,2,2,7,"163.5 °F (NTP, 1992)","338 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ETHCHLORVYNOL,000113-18-8,5281077,(E)-1-chloro-3-ethylpent-1-en-4-yn-3-ol,CCC(/C=C/Cl)(C#C)O,"InChI=1S/C7H9ClO/c1-3-7(9,4-2)5-6-8/h1,5-6,9H,4H2,2H3/b6-5+",ZEHYJZXQEQOSON-AATRIKPKSA-N,C7H9ClO,144.6,144.0341926,1.5,20.2,154,0,1,1,3,9,,28.5-30,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
AZASERINE,000115-02-6,460129,(2S)-2-amino-3-(2-diazoacetyl)oxypropanoic acid,C([C@@H](C(=O)O)N)OC(=O)C=[N+]=[N-],"InChI=1S/C5H7N3O4/c6-3(5(10)11)2-12-4(9)1-8-7/h1,3H,2,6H2,(H,10,11)/t3-/m0/s1",MZZGOOYMKKIOOX-VKHMYHEASA-N,C5H7N3O4,173.13,173.0436557,-3.2,91.6,233,0,2,6,5,12,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETALDEHYDE, TRIBROMO-",000115-17-3,8256,"2,2,2-tribromoacetaldehyde",C(=O)C(Br)(Br)Br,"InChI=1S/C2HBr3O/c3-2(4,5)1-6/h1H",YTGSYRVSBPFKMQ-UHFFFAOYSA-N,C2HBr3O,280.74,279.7557,2.1,17.1,54,0,0,1,0,6,,ABOUT 174 °C WITH DECOMP,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DISODIUM CYANODITHIO-IMIDOCARBONATE,000138-93-2,61088,disodium;cyanoiminomethanedithiolate,C(#N)N=C([S-])[S-].[Na+].[Na+],"InChI=1S/C2H2N2S2.2Na/c3-1-4-2(5)6;;/h(H2,4,5,6);;/q;2*+1/p-2",AZDIXEXNLJMBJO-UHFFFAOYSA-L,C2N2Na2S2,162.15,161.9298289,,38.2,104,0,0,4,0,8,,109 °C,1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DISODIUM METHANEARSONATE (DSMA),000144-21-8,8947,disodium;methyl-dioxido-oxo-lambda5-arsane,C[As](=O)([O-])[O-].[Na+].[Na+],"InChI=1S/CH5AsO3.2Na/c1-2(3,4)5;;/h1H3,(H2,3,4,5);;/q;2*+1/p-2",SDIXRDNYIMOKSG-UHFFFAOYSA-L,CH3AsNa2O3,183.934,183.909352,,63.2,49,0,0,3,0,7,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Norleucine, 6-diazo-5-oxo, L-",000157-03-9,9087,(2S)-2-amino-6-diazo-5-oxohexanoic acid,C(CC(=O)C=[N+]=[N-])[C@@H](C(=O)O)N,"InChI=1S/C6H9N3O3/c7-5(6(11)12)2-1-4(10)3-9-8/h3,5H,1-2,7H2,(H,11,12)/t5-/m0/s1",YCWQAMGASJSUIP-YFKPBYRVSA-N,C6H9N3O3,171.15,171.0643912,-3.5,82.4,232,0,2,5,5,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANENITRILE, HEPTAFLUORO-",000375-00-8,67808,"2,2,3,3,4,4,4-heptafluorobutanenitrile",C(#N)C(C(C(F)(F)F)(F)F)(F)F,"InChI=1S/C4F7N/c5-2(6,1-12)3(7,8)4(9,10)11",BOZRBIJGLJJPRF-UHFFFAOYSA-N,C4F7N,195.04,194.9918961,2.4,23.8,217,0,0,8,1,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BERYLLIUM ACETATE,000543-81-7,10981,beryllium diacetate,[Be+2].CC(=O)[O-].CC(=O)[O-],"InChI=1S/2C2H4O2.Be/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",YUOUKRIPFJKDJY-UHFFFAOYSA-L,C4H6BeO4,127.1,127.0387917,,80.3,25,0,0,4,0,9,,,0,0,1,1,0,1,1,1,0,0,0,0,0,0,0,0,1,1,1,1
"PENTANOIC ACID, 2-BROMO-",000584-93-0,11446,2-bromopentanoic acid,CCCC(C(=O)O)Br,"InChI=1S/C5H9BrO2/c1-2-3-4(6)5(7)8/h4H,2-3H2,1H3,(H,7,8)",WMFATTFQNRPXBQ-UHFFFAOYSA-N,C5H9BrO2,181.03,179.97859,1.9,37.3,82,0,1,2,3,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHENE, IODO-",000593-66-8,68976,iodoethene,C=CI,"InChI=1S/C2H3I/c1-2-3/h2H,1H2",GHXZPUGJZVBLGC-UHFFFAOYSA-N,C2H3I,153.95,153.92795,1.7,0,10,0,0,0,0,3,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"METHANE, TELLUROBIS-",000593-80-6,68977,methyltellanylmethane,C[Te]C,InChI=1S/C2H6Te/c1-3-2/h1-2H3,YMUZFVVKDBZHGP-UHFFFAOYSA-N,C2H6Te,157.7,159.9531729,,0,2,0,0,0,0,3,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
N-METHYL-N-NITROSOURETHANE,000615-53-2,12001,ethyl N-methyl-N-nitrosocarbamate,CCOC(=O)N(C)N=O,"InChI=1S/C4H8N2O3/c1-3-9-4(7)6(2)5-8/h3H2,1-2H3",CAUBWLYZCDDYEF-UHFFFAOYSA-N,C4H8N2O3,132.12,132.0534921,0.2,59,114,0,0,4,2,9,,BP: 62-64 °C at 12 mm Hg; 70 °C at 27 mm Hg,0,0,0,1,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"ACETIC ACID, DIBROMO-, ETHYL ESTER",000617-33-4,69237,"ethyl 2,2-dibromoacetate",CCOC(=O)C(Br)Br,"InChI=1S/C4H6Br2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3",NIJGVVHCUXNSLL-UHFFFAOYSA-N,C4H6Br2O2,245.9,245.87141,2.2,26.3,82,0,0,2,3,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANAMINE, N-METHYL-, HYDROCHLORIDE",000624-60-2,522048,N-methylethanamine;hydrochloride,CCNC.Cl,"InChI=1S/C3H9N.ClH/c1-3-4-2;/h4H,3H2,1-2H3;1H",GEHLEADVHVVTET-UHFFFAOYSA-N,C3H10ClN,95.57,95.050177,,12,7,0,2,1,1,5,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
OCTANEDINITRILE,000629-40-3,12385,octanedinitrile,C(CCCC#N)CCC#N,InChI=1S/C8H12N2/c9-7-5-3-1-2-4-6-8-10/h1-6H2,BTNXBLUGMAMSSH-UHFFFAOYSA-N,C8H12N2,136.19,136.1000484,0.6,47.6,135,0,0,2,5,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propanone, 1,1,3,3-tetrachloro-",000632-21-3,12436,"1,1,3,3-tetrachloropropan-2-one",C(C(=O)C(Cl)Cl)(Cl)Cl,InChI=1S/C3H2Cl4O/c4-2(5)1(8)3(6)7/h2-3H,DJWVKJAGMVZYFP-UHFFFAOYSA-N,C3H2Cl4O,195.9,195.883025,2.6,17.1,79,0,0,1,2,8,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANOIC ACID, 4-CHLORO-3-OXO-, ETHYL ESTER",000638-07-3,69484,ethyl 4-chloro-3-oxobutanoate,CCOC(=O)CC(=O)CCl,"InChI=1S/C6H9ClO3/c1-2-10-6(9)3-5(8)4-7/h2-4H2,1H3",OHLRLMWUFVDREV-UHFFFAOYSA-N,C6H9ClO3,164.59,164.0240218,0.9,43.4,133,0,0,3,5,10,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
DEMETON-S-METHYL,000919-86-8,13526,1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane,CCSCCSP(=O)(OC)OC,"InChI=1S/C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3/h4-6H2,1-3H3",WEBQKRLKWNIYKK-UHFFFAOYSA-N,C6H15O3PS2,230.3,230.0200237,1,86.1,146,0,0,5,7,12,,"192 °F at 0.15 mmHg (EPA, 1998)",0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"SILANE, TRICHLOROHEXYL-",000928-65-4,13571,trichloro(hexyl)silane,CCCCCC[Si](Cl)(Cl)Cl,"InChI=1S/C6H13Cl3Si/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3",LFXJGGDONSCPOF-UHFFFAOYSA-N,C6H13Cl3Si,219.6,217.98521,,0,79,0,0,0,4,10,,190 °C,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"DISTANNOXANE, HEXAPROPYL-",001067-29-4,16682947,tripropyl(tripropylstannyloxy)stannane,CCC[Sn](CCC)(CCC)O[Sn](CCC)(CCC)CCC,"InChI=1S/6C3H7.O.2Sn/c6*1-3-2;;;/h6*1,3H2,2H3;;;",DZWGKMVDRPKMPD-UHFFFAOYSA-N,C18H42OSn2,511.9,512.12738,,9.2,185,0,0,1,14,21,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CALCIUM SELENIDE (CASE),001305-84-6,102107,selanylidenecalcium,[Ca]=[Se],InChI=1S/Ca.Se,AHMCFSORHHSTSB-UHFFFAOYSA-N,CaSe,119.05,119.87911,,0,2,0,0,0,0,2,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
COBALT SELENIDE (COSE),001307-99-9,102108,selanylidenecobalt,[Co]=[Se],InChI=1S/Co.Se,QVYIMIJFGKEJDW-UHFFFAOYSA-N,CoSe,137.9,138.84972,,0,2,0,0,0,0,2,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
STRONTIUM SELENIDE (SRSE),001315-07-7,14619133,selanylidenestrontium,[Se]=[Sr],InChI=1S/Se.Sr,PFNOMMSIZHKPBO-UHFFFAOYSA-N,SeSr,166.59,167.82213,,0,2,0,0,0,0,2,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"THIOUREA, BUTYL-",001516-32-1,1551919,butylthiourea,CCCCNC(=S)N,"InChI=1S/C5H12N2S/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)",GMEGXJPUFRVCPX-UHFFFAOYSA-N,C5H12N2S,132.23,132.0721196,1,70.1,72,0,2,1,3,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Succinic acid, mercapto-, diethyl ester, S-ester with O,O-dimethylphosphorothi",001634-78-2,15415,diethyl 2-dimethoxyphosphorylsulfanylbutanedioate,CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC,"InChI=1S/C10H19O7PS/c1-5-16-9(11)7-8(10(12)17-6-2)19-18(13,14-3)15-4/h8H,5-7H2,1-4H3",WSORODGWGUUOBO-UHFFFAOYSA-N,C10H19O7PS,314.29,314.0589111,0.6,113,339,0,0,8,11,19,"greater than 212 °F (NTP, 1992)","237 °F at 0.0975 mmHg (NTP, 1992)",0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHINE OXIDE, (CHLOROMETHYL)DIMETHYL-",001638-75-1,74224,chloro(dimethylphosphoryl)methane,CP(=O)(C)CCl,"InChI=1S/C3H8ClOP/c1-6(2,5)3-4/h3H2,1-2H3",VACOMSNNWGXHSF-UHFFFAOYSA-N,C3H8ClOP,126.52,126.0001296,0.1,17.1,74,0,0,1,1,6,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-METHYL-, 2-CHLOROETHYL ESTER",001888-94-4,15905,2-chloroethyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCCl,"InChI=1S/C6H9ClO2/c1-5(2)6(8)9-4-3-7/h1,3-4H2,2H3",GPOGMJLHWQHEGF-UHFFFAOYSA-N,C6H9ClO2,148.59,148.0291072,1.7,26.3,120,0,0,2,4,9,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
MONOSODIUM METHANEARSONATE (MSMA),002163-80-6,23664719,sodium hydroxy(methyl)arsinate,C[As](=O)(O)[O-].[Na+],"InChI=1S/CH5AsO3.Na/c1-2(3,4)5;/h1H3,(H2,3,4,5);/q;+1/p-1",JITOKQVGRJSHHA-UHFFFAOYSA-M,CH4AsNaO3,161.952,161.927408,,60.4,71,0,1,3,0,6,,"Decomposes (NTP, 1992)",1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"OCTANOIC ACID, CADMIUM SALT",002191-10-8,19376890,cadmium(2+);bis(octanoate),CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Cd+2],"InChI=1S/2C8H16O2.Cd/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2",KOTZHELIJDCVNA-UHFFFAOYSA-L,C16H30CdO4,398.82,400.117774,,80.3,83,0,0,4,10,21,,,0,1,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"STANNANE, DIMETHYLOXO-",002273-45-2,75277,dimethyl(oxo)tin,C[Sn](=O)C,InChI=1S/2CH3.O.Sn/h2*1H3;;,WNVQCJNZEDLILP-UHFFFAOYSA-N,C2H6OSn,164.78,165.944067,,17.1,29,0,0,1,0,4,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"N-(3-AMINOPROPYL)-N-DODECYL-1,3-PROPANEDIAMINE",002372-82-9,75407,"N'-(3-aminopropyl)-N'-dodecylpropane-1,3-diamine",CCCCCCCCCCCCN(CCCN)CCCN,"InChI=1S/C18H41N3/c1-2-3-4-5-6-7-8-9-10-11-16-21(17-12-14-19)18-13-15-20/h2-20H2,1H3",NYNKJVPRTLBJNQ-UHFFFAOYSA-N,C18H41N3,299.5,299.3300483,4.7,55.3,177,0,2,3,17,21,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"2-BUTENEDIOIC ACID (E)-, DI-2-PROPENYL ESTER",002807-54-7,5355330,bis(prop-2-enyl) (E)-but-2-enedioate,C=CCOC(=O)/C=C/C(=O)OCC=C,"InChI=1S/C10H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-6H,1-2,7-8H2/b6-5+",ZPOLOEWJWXZUSP-AATRIKPKSA-N,C10H12O4,196.2,196.0735589,1.5,52.6,227,0,0,4,8,14,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DECANOIC ACID, CADMIUM SALT",002847-16-7,165040,cadmium(2+);bis(decanoate),CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Cd+2],"InChI=1S/2C10H20O2.Cd/c2*1-2-3-4-5-6-7-8-9-10(11)12;/h2*2-9H2,1H3,(H,11,12);/q;;+2/p-2",QOUHCGDKCVHHKB-UHFFFAOYSA-L,C20H38CdO4,454.9,456.180375,,80.3,105,0,0,4,14,25,,,0,1,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"FORMAMIDE, N,N-BIS(2-CYANOETHYL)-",003445-84-9,76983,"N,N-bis(2-cyanoethyl)formamide",C(CN(CCC#N)C=O)C#N,"InChI=1S/C7H9N3O/c8-3-1-5-10(7-11)6-2-4-9/h7H,1-2,5-6H2",MYRFNYCEQURXPT-UHFFFAOYSA-N,C7H9N3O,151.17,151.0745619,-0.9,67.9,186,0,0,3,4,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANOIC ACID, 2,3-DICHLORO-, METHYL ESTER",003674-09-7,95429,"methyl 2,3-dichloropropanoate",COC(=O)C(CCl)Cl,"InChI=1S/C4H6Cl2O2/c1-8-4(7)3(6)2-5/h3H,2H2,1H3",OFHMODDLBXETIK-UHFFFAOYSA-N,C4H6Cl2O2,156.99,155.9744848,1.4,26.3,84,0,0,2,3,8,,,0,0,0,1,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
LEAD ARSENATE,003687-31-8,3032448,tris(lead(2+)) diarsorate,[O-][As](=O)([O-])[O-].[O-][As](=O)([O-])[O-].[Pb+2].[Pb+2].[Pb+2],"InChI=1S/2AsH3O4.3Pb/c2*2-1(3,4)5;;;/h2*(H3,2,3,4,5);;;/q;;3*+2/p-6",LFEUVBZXUFMACD-UHFFFAOYSA-H,As2O8Pb3,900,899.73028,,173,36,0,0,8,0,13,,,1,0,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"1-PENTANESULFONIC ACID, 1,1,2,2,3,3,4,4,5,5,5-UNDECAFLUORO-, POTASSIUM SALT",003872-25-1,23678875,"potassium 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate",C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F.[K+],"InChI=1S/C5HF11O3S.K/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19;/h(H,17,18,19);/q;+1/p-1",MNUZXTVANFJFPD-UHFFFAOYSA-M,C5F11KO3S,388.2,387.9029563,,65.6,475,0,0,14,4,21,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
"2-PROPANAMINE, N-(2-CHLOROETHYL)-N-(1-METHYLETHYL)-, HYDROCHLORIDE",004261-68-1,77942,N-(2-chloroethyl)-N-propan-2-ylpropan-2-amine;hydrochloride,CC(C)N(CCCl)C(C)C.Cl,"InChI=1S/C8H18ClN.ClH/c1-7(2)10(6-5-9)8(3)4;/h7-8H,5-6H2,1-4H3;1H",IUSXYVRFJVAVOB-UHFFFAOYSA-N,C8H19Cl2N,200.15,199.089455,,3.2,73,0,1,1,4,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PROPANAMINE, 2-CHLORO-N,N-DIMETHYL-, HYDROCHLORIDE",004584-49-0,94294,"2-chloro-N,N-dimethylpropan-1-amine;hydrochloride",CC(CN(C)C)Cl.Cl,"InChI=1S/C5H12ClN.ClH/c1-5(6)4-7(2)3;/h5H,4H2,1-3H3;1H",OCWGRWAYARCRTQ-UHFFFAOYSA-N,C5H13Cl2N,158.07,157.0425048,,3.2,45,0,1,1,2,8,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"GERMANE, DIBUTYLDICHLORO-",004593-81-1,20723,dibutyl(dichloro)germane,CCCC[Ge](CCCC)(Cl)Cl,"InChI=1S/C8H18Cl2Ge/c1-3-5-7-11(9,10)8-6-4-2/h3-8H2,1-2H3",VKMPTHGEGBKPBQ-UHFFFAOYSA-N,C8H18Cl2Ge,257.76,257.9997337,,0,84,0,0,0,6,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Ethylene glycol, dimethanesulfonate",004672-49-5,20796,2-methylsulfonyloxyethyl methanesulfonate,CS(=O)(=O)OCCOS(=O)(=O)C,"InChI=1S/C4H10O6S2/c1-11(5,6)9-3-4-10-12(2,7)8/h3-4H2,1-2H3",QSQFARNGNIZGAW-UHFFFAOYSA-N,C4H10O6S2,218.3,217.9918804,-0.9,104,266,0,0,6,5,12,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"NONANOIC ACID, CADMIUM SALT",005112-16-3,165285,cadmium(2+);bis(nonanoate),CCCCCCCCC(=O)[O-].CCCCCCCCC(=O)[O-].[Cd+2],"InChI=1S/2C9H18O2.Cd/c2*1-2-3-4-5-6-7-8-9(10)11;/h2*2-8H2,1H3,(H,10,11);/q;;+2/p-2",GVVIIKFONQESNB-UHFFFAOYSA-L,C18H34CdO4,426.9,428.149075,,80.3,94,0,0,4,12,23,,,0,1,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"PROPANOIC ACID, 3-[(AMINOIMINOMETHYL)THIO]-",005398-29-8,79387,3-carbamimidoylsulfanylpropanoic acid,C(CSC(=N)N)C(=O)O,"InChI=1S/C4H8N2O2S/c5-4(6)9-2-1-3(7)8/h1-2H2,(H3,5,6)(H,7,8)",ICCLGNPZARKJKF-UHFFFAOYSA-N,C4H8N2O2S,148.19,148.0306487,-0.3,112,126,0,3,4,4,9,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"N,N-DIMETHYL-N-OCTYL-1-OCTANAMINIUM CHLORIDE",005538-94-3,62581,dimethyl(dioctyl)azanium chloride,CCCCCCCC[N+](C)(C)CCCCCCCC.[Cl-],"InChI=1S/C18H40N.ClH/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1",FARBQUXLIQOIDY-UHFFFAOYSA-M,C18H40ClN,306,305.284928,,0,157,0,0,1,14,20,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-PROPANEDIAMINE, N-DODECYL-",005538-95-4,79670,"N'-dodecylpropane-1,3-diamine",CCCCCCCCCCCCNCCCN,"InChI=1S/C15H34N2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h17H,2-16H2,1H3",XMMDVXFQGOEOKH-UHFFFAOYSA-N,C15H34N2,242.44,242.2721991,4.8,38.1,126,0,2,2,14,17,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"4-Pentenonitrile, 3-hydroxy-, S-",006071-81-4,91586,3-hydroxypent-4-enenitrile,C=CC(CC#N)O,"InChI=1S/C5H7NO/c1-2-5(7)3-4-6/h2,5,7H,1,3H2",PBCLOVRWBLGJQA-UHFFFAOYSA-N,C5H7NO,97.12,97.05276385,-0.1,44,99,0,1,2,2,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"HYDRAZINECARBOXYLIC ACID, METHYL ESTER",006294-89-9,80519,methyl N-aminocarbamate,COC(=O)NN,"InChI=1S/C2H6N2O2/c1-6-2(5)4-3/h3H2,1H3,(H,4,5)",WFJRIDQGVSJLLH-UHFFFAOYSA-N,C2H6N2O2,90.08,90.04292744,-0.8,64.4,53,0,2,3,1,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYLENE BIS(THIOCYANATE),006317-18-6,22772,thiocyanatomethyl thiocyanate,C(SC#N)SC#N,InChI=1S/C3H2N2S2/c4-1-6-3-7-2-5/h3H2,JWZXKXIUSSIAMR-UHFFFAOYSA-N,C3H2N2S2,130.2,129.9659404,1.7,98.2,108,0,0,4,2,7,,,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"CARBONOCHLORIDIC ACID, OCTYL ESTER",007452-59-7,81956,octyl carbonochloridate,CCCCCCCCOC(=O)Cl,"InChI=1S/C9H17ClO2/c1-2-3-4-5-6-7-8-12-9(10)11/h2-8H2,1H3",VFXVAXFIFHSGNR-UHFFFAOYSA-N,C9H17ClO2,192.68,192.0917075,4.5,26.3,115,0,0,2,8,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"SELENIOUS ACID, LEAD(2+) SALT (1:1)",007488-51-9,25021836,lead(2+) selenite,[O-][Se](=O)[O-].[Pb+2],"InChI=1S/H2O3Se.Pb/c1-4(2)3;/h(H2,1,2,3);/q;+2/p-2",IXGYSIAVLHDIBR-UHFFFAOYSA-L,O3PbSe,334,335.87792,,63.2,18,0,0,3,0,5,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"ACETIC ACID, MERCAPTO-, OCTYL ESTER",007664-80-4,76023,octyl 2-sulfanylacetate,CCCCCCCCOC(=O)CS,"InChI=1S/C10H20O2S/c1-2-3-4-5-6-7-8-12-10(11)9-13/h13H,2-9H2,1H3",MADOXCFISYCULS-UHFFFAOYSA-N,C10H20O2S,204.33,204.1184011,3.7,27.3,126,0,1,3,9,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ALUMINATE(3-), HEXAFLUORO-, TRIAMMONIUM, (OC-6-11)-",007784-19-2,24565,triazanium;hexafluoroaluminum(3-),[NH4+].[NH4+].[NH4+].F[Al-3](F)(F)(F)(F)F,InChI=1S/Al.6FH.3H3N/h;6*1H;3*1H3/q+3;;;;;;;;;/p-3,OYHBNKHFKHBTRQ-UHFFFAOYSA-K,AlF6H12N3,195.09,195.0750798,,3,62,0,3,7,0,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ARSENIC TRIBROMIDE,007784-33-0,24569,tribromoarsane,[As](Br)(Br)Br,InChI=1S/AsBr3/c2-1(3)4,JMBNQWNFNACVCB-UHFFFAOYSA-N,AsBr3,314.63,313.67456,,0,8,0,0,0,0,4,,221 °C,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"SELENIC ACID, BARIUM SALT (1:1)",007787-41-9,134655,barium(2+) selenate,[O-][Se](=O)(=O)[O-].[Ba+2],"InChI=1S/Ba.H2O4Se/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",ZIGAPMSTBOKWRT-UHFFFAOYSA-L,BaO4Se,280.3,281.80143,,80.3,62,0,0,4,0,6,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"TELLURIC ACID (H2TEO3), DIPOTASSIUM SALT",007790-58-1,65186,dipotassium;tellurite,[O-][Te](=O)[O-].[K+].[K+],"InChI=1S/2K.H2O3Te/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2",BFPJYWDBBLZXOM-UHFFFAOYSA-L,K2O3Te,253.8,255.8183796,,63.2,18,0,0,3,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SELENINYL CHLORIDE,007791-23-3,24647,,O=[Se](Cl)Cl,InChI=1S/Cl2OSe/c1-4(2)3,LIRMPIXWGWLNND-UHFFFAOYSA-N,Cl2OSe,165.87,165.84914,,17.1,29,0,0,1,0,4,,"356 °F at 760 mmHg (EPA, 1998)",1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,1,0
"CARBONIMIDODITHIOIC ACID, CYANO-, DIMETHYL ESTER",010191-60-3,66289,bis(methylsulfanyl)methylidenecyanamide,CSC(=NC#N)SC,InChI=1S/C4H6N2S2/c1-7-4(8-2)6-3-5/h1-2H3,IULFXBLVJIPESI-UHFFFAOYSA-N,C4H6N2S2,146.2,145.9972406,1.9,86.8,126,0,0,4,2,8,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"TETRADECANOIC ACID, CADMIUM SALT",010196-67-5,66290,cadmium(2+);bis(tetradecanoate),CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].[Cd+2],"InChI=1S/2C14H28O2.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2*2-13H2,1H3,(H,15,16);/q;;+2/p-2",KADXVMUKRHQBGS-UHFFFAOYSA-L,C28H54CdO4,567.1,568.305575,,80.3,149,0,0,4,22,33,,,0,1,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"SELENIOUS ACID, DIPOTASSIUM SALT",010431-47-7,23677934,potassium hydrogen selenite,O[Se](=O)[O-].[K+],"InChI=1S/K.H2O3Se/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1",CRQUBUILMSLSHI-UHFFFAOYSA-M,HKO3Se,167.08,167.8728,,60.4,33,0,1,3,0,5,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
MAGNESIUM ARSENIDE (MG3AS2),012044-49-4,25147473,,[Mg]=[As][Mg][As]=[Mg],InChI=1S/2As.3Mg,UZIGZGIMMXFFGH-UHFFFAOYSA-N,As2Mg3,222.76,221.79831,,0,34,0,0,0,0,5,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
TUNGSTEN TELLURIDE (WTE2),012067-76-4,82913,bis(tellanylidene)tungsten,[Te]=[W]=[Te],InChI=1S/2Te.W,WFGOJOJMWHVMAP-UHFFFAOYSA-N,Te2W,439,441.76162,,0,18,0,0,0,0,3,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CHROMIUM ARSENIDE (CR2AS),012254-85-2,101946321,arsenic;chromium,[Cr].[As],InChI=1S/As.Cr,OTJXRUHUGBSPCL-UHFFFAOYSA-N,AsCr,126.918,126.862099,,0,0,0,0,0,0,2,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"ACETIC ACID, CYANO-, 2-PROPENYL ESTER",013361-32-5,25919,prop-2-enyl 2-cyanoacetate,C=CCOC(=O)CC#N,"InChI=1S/C6H7NO2/c1-2-5-9-6(8)3-4-7/h2H,1,3,5H2",WXKCRCGKCOKJEF-UHFFFAOYSA-N,C6H7NO2,125.13,125.0476785,0.6,50.1,154,0,0,3,4,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CHROMIC ACID (H2CRO4), MAGNESIUM SALT (1:1)",013423-61-5,61599,magnesium dioxido(dioxo)chromium,[O-][Cr](=O)(=O)[O-].[Mg+2],InChI=1S/Cr.Mg.4O/q;+2;;;2*-1,CRGGPIWCSGOBDN-UHFFFAOYSA-N,CrMgO4,140.3,139.905205,,80.3,62,0,0,4,0,6,,,1,1,1,1,0,1,1,1,0,0,1,0,0,0,0,0,1,1,0,1
"HYDRAZINE, MONONITRATE",013464-97-6,166817,hydrazine;nitric acid,NN.[N+](=O)(O)[O-],"InChI=1S/H4N2.HNO3/c1-2;2-1(3)4/h1-2H2;(H,2,3,4)",AFEBXVJYLNMAJB-UHFFFAOYSA-N,H5N3O3,95.06,95.03309103,,118,24,0,3,5,0,6,,,1,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"ARSENIC ACID (H3ASO4), TRISILVER(1+) SALT",013510-44-6,166835,trisilver;arsorate,[O-][As](=O)([O-])[O-].[Ag+].[Ag+].[Ag+],"InChI=1S/3Ag.AsH3O4/c;;;2-1(3,4)5/h;;;(H3,2,3,4,5)/q3*+1;/p-3",IMGNYAPMSDUASV-UHFFFAOYSA-K,Ag3AsO4,462.524,461.61619,,86.3,36,0,0,4,0,8,,,1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BERYLLIUM SULFATE,013510-49-1,26077,beryllium sulfate,[Be+2].[O-]S(=O)(=O)[O-],"InChI=1S/Be.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",KQHXBDOEECKORE-UHFFFAOYSA-L,BeO4S,105.08,104.9639127,,88.6,62,0,0,4,0,6,,,0,0,1,1,0,1,1,1,0,0,0,0,0,0,0,0,1,1,1,1
"SELENIC ACID, CADMIUM SALT (1:1)",013814-62-5,166912,cadmium(2+) selenate,[O-][Se](=O)(=O)[O-].[Cd+2],"InChI=1S/Cd.H2O4Se/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",VTFKXHQTGNWIJW-UHFFFAOYSA-L,CdO4Se,255.38,257.79955,,80.3,62,0,0,4,0,6,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"RHENIUM, DECACARBONYLDI-, (RE-RE)",014285-68-8,498777,carbon monoxide;rhenium,[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].[Re],InChI=1S/10CO.2Re/c10*1-2;;,ZIZHEHXAMPQGEK-UHFFFAOYSA-N,C10O10Re2,652.51,651.85786,,10,10,0,0,10,0,22,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-PROPANAMINE, 3-BUTOXY-",016499-88-0,85461,3-butoxypropan-1-amine,CCCCOCCCN,"InChI=1S/C7H17NO/c1-2-3-6-9-7-4-5-8/h2-8H2,1H3",LPUBRQWGZPPVBS-UHFFFAOYSA-N,C7H17NO,131.22,131.1310142,0.7,35.3,48,0,1,2,6,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"HYDRAZINE, (1-METHYLETHYL)-, MONOHYDROCHLORIDE",016726-41-3,85573,propan-2-ylhydrazine;hydrochloride,CC(C)NN.Cl,"InChI=1S/C3H10N2.ClH/c1-3(2)5-4;/h3,5H,4H2,1-2H3;1H",ILULYDJFTJKQAP-UHFFFAOYSA-N,C3H11ClN2,110.58,110.0610761,,38.1,18,0,3,2,1,6,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"URANIUM, BIS(FORMATO-O)DIOXO-, (T-4)-",016984-59-1,22227334,dioxouranium(2+) diformate,C(=O)[O-].C(=O)[O-].O=[U+2]=O,"InChI=1S/2CH2O2.2O.U/c2*2-1-3;;;/h2*1H,(H,2,3);;;/q;;;;+2/p-2",LSZXTXAGCQSDCH-UHFFFAOYSA-L,C2H2O6U,360.06,360.03592,,114,25,0,0,6,0,9,,,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-NONADECAFLUORO-1-NONANESULFONIC ACID AMMONIUM SALT",017202-41-4,57370517,"azanium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane-1-sulfonate",C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(F)F.[NH4+],"InChI=1S/C9HF19O3S.H3N/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)26)3(14,15)5(18,19)7(22,23)9(27,28)32(29,30)31;/h(H,29,30,31);1H3",CCLOSADEZDSARB-UHFFFAOYSA-N,C9H4F19NO3S,567.17,566.9608492,,66.6,803,0,1,22,7,33,,,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"2,4-Decadienamide, N-isobutyl-, (E,E)-",018836-52-7,5318516,"(2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide",CCCCC/C=C/C=C/C(=O)NCC(C)C,"InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,15,16)/b9-8+,11-10+",MAGQQZHFHJDIRE-BNFZFUHLSA-N,C14H25NO,223.35,223.1936144,4.4,29.1,229,0,1,1,8,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"ACETIC ACID, MERCAPTO-, MONOESTER WITH 1,2,3-PROPANETRIOL",030618-84-9,3034372,"2,3-dihydroxypropyl 2-sulfanylacetate",C(C(COC(=O)CS)O)O,"InChI=1S/C5H10O4S/c6-1-4(7)2-9-5(8)3-10/h4,6-7,10H,1-3H2",DOGJSOZYUGJVKS-UHFFFAOYSA-N,C5H10O4S,166.2,166.02998,-0.7,67.8,106,0,3,5,5,10,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-Propanone, tetrachloro-",031422-61-4,28188,"1,1,1,3-tetrachloropropan-2-one",C(C(=O)C(Cl)(Cl)Cl)Cl,"InChI=1S/C3H2Cl4O/c4-1-2(8)3(5,6)7/h1H2",MSZQBKOLHPDFFD-UHFFFAOYSA-N,C3H2Cl4O,195.9,195.883025,2.4,17.1,93,0,0,1,1,8,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANOIC ACID, 4-CHLORO-3-OXO-, METHYL ESTER",032807-28-6,36240,methyl 4-chloro-3-oxobutanoate,COC(=O)CC(=O)CCl,"InChI=1S/C5H7ClO3/c1-9-5(8)2-4(7)3-6/h2-3H2,1H3",HFLMYYLFSNEOOT-UHFFFAOYSA-N,C5H7ClO3,150.56,150.0083718,0.6,43.4,121,0,0,3,4,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"DOCOSANOIC ACID, CADMIUM SALT",034303-23-6,169587,cadmium(2+);docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Cd+2],"InChI=1S/2C22H44O2.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2*2-21H2,1H3,(H,23,24);/q;;+2/p-2",HJGFQVHOOSSOME-UHFFFAOYSA-L,C44H86CdO4,791.6,792.555976,,80.3,245,0,0,4,38,49,,,0,1,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"ETHANOL, 2-MERCAPTO-, MONOSODIUM SALT",037482-11-4,23674989,sodium 2-sulfanylethanolate,C(CS)[O-].[Na+],"InChI=1S/C2H5OS.Na/c3-1-2-4;/h4H,1-2H2;/q-1;+1",RYBWXHDKJVRTES-UHFFFAOYSA-N,C2H5NaOS,100.12,99.99588023,,24.1,13,0,1,2,1,5,,,1,1,1,1,0,0,1,1,0,0,0,0,0,1,0,0,1,1,1,0
"9-OCTADECENOIC ACID (Z)-, COMPD. WITH (Z)-N-9-OCTADECENYL-1,3-PROPANEDIAMINE",040027-38-1,6441611,"(Z)-octadec-9-enoic acid;N'-[(Z)-octadec-9-enyl]propane-1,3-diamine",CCCCCCCC/C=C\CCCCCCCCNCCCN.CCCCCCCC/C=C\CCCCCCCC(=O)O,"InChI=1S/C21H44N2.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,23H,2-8,11-22H2,1H3;9-10H,2-8,11-17H2,1H3,(H,19,20)/b2*10-9-",XRMFYYDQOUSPSM-QZOPMXJLSA-N,C39H78N2O2,607,606.6063297,,75.4,459,0,3,4,34,43,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANE, 1,1,1,2,2-PENTAFLUORO-4-IODO-",040723-80-6,110092,"1,1,1,2,2-pentafluoro-4-iodobutane",C(CI)C(C(F)(F)F)(F)F,"InChI=1S/C4H4F5I/c5-3(6,1-2-10)4(7,8)9/h1-2H2",PPXVPFPTMXFUDE-UHFFFAOYSA-N,C4H4F5I,273.97,273.92779,3.5,0,107,0,0,5,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHONIUM, TETRAKIS(HYDROXYMETHYL)-, SULFATE (2:1) (SALT)",055566-30-8,41478,bis(tetrakis(hydroxymethyl)phosphanium);sulfate,C(O)[P+](CO)(CO)CO.C(O)[P+](CO)(CO)CO.[O-]S(=O)(=O)[O-],"InChI=1S/2C4H12O4P.H2O4S/c2*5-1-9(2-6,3-7)4-8;1-5(2,3)4/h2*5-8H,1-4H2;(H2,1,2,3,4)/q2*+1;/p-2",YIEDHPBKGZGLIK-UHFFFAOYSA-L,C8H24O12P2S,406.28,406.0463714,,250,118,0,8,12,8,23,"greater than 200 °F (NTP, 1992)","232 °F at 760 mmHg (NTP, 1992)",1,0,1,1,0,0,1,1,0,0,0,0,0,1,0,0,0,1,1,0
"ACETIC ACID, MERCAPTO-, ISOTRIDECYL ESTER",057417-85-3,93670,11-methyldodecyl 2-sulfanylacetate,CC(C)CCCCCCCCCCOC(=O)CS,"InChI=1S/C15H30O2S/c1-14(2)11-9-7-5-3-4-6-8-10-12-17-15(16)13-18/h14,18H,3-13H2,1-2H3",HYBIDFUUNHAJDS-UHFFFAOYSA-N,C15H30O2S,274.5,274.1966514,6.3,27.3,193,0,1,3,13,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"HEXANE, 1,2,5,6-TETRABROMO-",058443-86-0,94047,"1,2,5,6-tetrabromohexane",C(CC(CBr)Br)C(CBr)Br,"InChI=1S/C6H10Br4/c7-3-5(9)1-2-6(10)4-8/h5-6H,1-4H2",WPBWUVCMCYXPFI-UHFFFAOYSA-N,C6H10Br4,401.76,401.7475,4.1,0,66,0,0,0,5,10,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-HEPTANESULFONIC ACID, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-PENTADECAFLUORO-, POTASS",060270-55-5,23668634,"potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonate",C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F.[K+],"InChI=1S/C7HF15O3S.K/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)26(23,24)25;/h(H,23,24,25);/q;+1/p-1",LBAKROCDOXEWPV-UHFFFAOYSA-M,C7F15KO3S,488.21,487.8965689,,65.6,645,0,0,18,6,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"1,2-Propanediol, 3-chloro-, (S)-",060827-45-4,148904,"(2S)-3-chloropropane-1,2-diol",C([C@@H](CCl)O)O,"InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2/t3-/m1/s1",SSZWWUDQMAHNAQ-GSVOUGTGSA-N,C3H7ClO2,110.54,110.0134572,-0.5,40.5,32,0,2,2,2,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
"NEODECANOIC ACID, CADMIUM SALT",061951-96-0,112792,"cadmium(2+);bis(3,3,5,5-tetramethylhexanoate)",CC(C)(C)CC(C)(C)CC(=O)[O-].CC(C)(C)CC(C)(C)CC(=O)[O-].[Cd+2],"InChI=1S/2C10H20O2.Cd/c2*1-9(2,3)7-10(4,5)6-8(11)12;/h2*6-7H2,1-5H3,(H,11,12);/q;;+2/p-2",MNYACJUMRBDDQC-UHFFFAOYSA-L,C20H38CdO4,454.9,456.180375,,80.3,158,0,0,4,6,25,,,0,1,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"RUTHENATE(2-), PENTACHLORO-, DIAMMONIUM",068133-88-0,176259,diazanium;ruthenium(3+);pentachloride,[NH4+].[NH4+].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ru+3],InChI=1S/5ClH.2H3N.Ru/h5*1H;2*1H3;/q;;;;;;;+3/p-3,AEETWQIZFGAMIM-UHFFFAOYSA-K,Cl5H8N2Ru,314.4,314.814402,,2,0,0,2,5,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,1,2,2,3,3,4,4,4-NONAFLUORO-N-METHYL-1-BUTANESULFONAMIDE",068298-12-4,109968,"1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide",CNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C5H4F9NO2S/c1-15-18(16,17)5(13,14)3(8,9)2(6,7)4(10,11)12/h15H,1H3",GFZPUWKGPNHWHD-UHFFFAOYSA-N,C5H4F9NO2S,313.14,312.981903,2.6,54.6,406,0,1,12,4,18,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
"1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-PENTADECAFLUORO-1-HEPTANESULFONIC ACID, COMPD. WITH 2,2'-IMINOBIS[ETHANOL] (1:1)",070225-15-9,71440002,"bis(2-hydroxyethyl)azanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonate",C(CO)[NH2+]CCO.C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F,"InChI=1S/C7HF15O3S.C4H11NO2/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)26(23,24)25;6-3-1-5-2-4-7/h(H,23,24,25);5-7H,1-4H2",SDWCILHGJCGQEW-UHFFFAOYSA-N,C11H12F15NO5S,555.26,555.0196661,,123,655,0,3,20,9,33,,,0,0,0,1,0,1,0,1,0,0,0,0,0,1,0,0,0,0,1,0
"L-Alanine, gamma-(hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-, mon",071048-99-2,118988468,sodium [(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-4-oxobutyl]-methylphosphinate,C[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCP(=O)(C)[O-])N.[Na+],"InChI=1S/C11H22N3O6P.Na/c1-6(9(15)14-7(2)11(17)18)13-10(16)8(12)4-5-21(3,19)20;/h6-8H,4-5,12H2,1-3H3,(H,13,16)(H,14,15)(H,17,18)(H,19,20);/q;+1/p-1/t6-,7-,8-;/m0./s1",RTWIRLHWLMNVCC-WQYNNSOESA-M,C11H21N3NaO6P,345.26,345.1065667,,162,461,0,4,7,8,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"1,3-PROPANEDIAMINE, N-[3-(ISODECYLOXY)PROPYL]-",072162-46-0,174951,"N'-[3-(8-methylnonoxy)propyl]propane-1,3-diamine",CC(C)CCCCCCCOCCCNCCCN,"InChI=1S/C16H36N2O/c1-16(2)10-6-4-3-5-7-14-19-15-9-13-18-12-8-11-17/h16,18H,3-15,17H2,1-2H3",LMVFSACRPDMFSQ-UHFFFAOYSA-N,C16H36N2O,272.47,272.2827638,3.6,47.3,163,0,2,3,15,19,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
MONOBROMO-3-NITRILOPROPIONAMIDE (2-BROMO-2-CYANOACETAMIDE),001113-55-9,263631,2-bromo-2-cyanoacetamide,C(#N)C(C(=O)N)Br,"InChI=1S/C3H3BrN2O/c4-2(1-5)3(6)7/h2H,(H2,6,7)",ABBGMXMPOCXVNL-UHFFFAOYSA-N,C3H3BrN2O,162.97,161.94288,-0.1,66.9,124,0,1,2,1,7,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
BORON TRIS(TRIFLUOROACETATE),000350-70-9,67693,"bis[(2,2,2-trifluoroacetyl)oxy]boranyl 2,2,2-trifluoroacetate",B(OC(=O)C(F)(F)F)(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F,"InChI=1S/C6BF9O6/c8-4(9,10)1(17)20-7(21-2(18)5(11,12)13)22-3(19)6(14,15)16",CWBHKBKGKCDGDM-UHFFFAOYSA-N,C6BF9O6,349.86,349.9644213,,78.9,384,0,0,15,6,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ANTIMONY DIALKYLDITHIOCARBAMATE,015991-76-1,85939,"antimony(3+);tris(N,N-bis(2-ethylhexyl)carbamodithioate)",CCCCC(CC)CN(CC(CC)CCCC)C(=S)[S-].CCCCC(CC)CN(CC(CC)CCCC)C(=S)[S-].CCCCC(CC)CN(CC(CC)CCCC)C(=S)[S-].[Sb+3],"InChI=1S/3C17H35NS2.Sb/c3*1-5-9-11-15(7-3)13-18(17(19)20)14-16(8-4)12-10-6-2;/h3*15-16H,5-14H2,1-4H3,(H,19,20);/q;;;+3/p-3",FPLFMZZKSXPSQO-UHFFFAOYSA-K,C51H102N3S6Sb,1071.5,1069.54361,,109,220,0,0,6,36,61,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
PHOSPHOROFLUORIDIC ACID,013537-32-1,24267,fluorophosphonic acid,OP(=O)(O)F,"InChI=1S/FH2O3P/c1-5(2,3)4/h(H2,2,3,4)",DWYMPOCYEZONEA-UHFFFAOYSA-N,FH2O3P,99.986,99.97255908,-1.1,57.5,61,0,2,4,0,5,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CADMIUM CHLORIDE HYDRATE,015244-35-6,3084221,cadmium(2+);sulfate;octahydrate,O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Cd+2],"InChI=1S/Cd.H2O4S.8H2O/c;1-5(2,3)4;;;;;;;;/h;(H2,1,2,3,4);8*1H2/q+2;;;;;;;;;/p-2",XPGCBFBTBOFJAE-UHFFFAOYSA-L,CdH16O12S,352.6,353.939612,,96.6,62,0,8,12,0,14,,,1,0,1,1,0,1,1,0,0,0,1,0,0,1,0,0,0,0,1,0
SODIUM NITROPRUSSIDE DIHYDRATE,013755-38-9,11953895,disodium;iron(4+);nitroxyl anion;pentacyanide;dihydrate,[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[N-]=O.O.O.[Na+].[Na+].[Fe+4],InChI=1S/5CN.Fe.NO.2Na.2H2O/c5*1-2;;1-2;;;;/h;;;;;;;;;2*1H2/q5*-1;+4;-1;2*+1;;,XRKMNJXYOFSTBE-UHFFFAOYSA-N,C5H4FeN6Na2O3,297.95,297.948962,,139,119,0,2,14,0,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
URANYL ACETATE DIHYDRATE,006159-44-0,114927,acetic acid;dioxouranium;dihydrate,CC(=O)O.CC(=O)O.O.O.O=[U]=O,"InChI=1S/2C2H4O2.2H2O.2O.U/c2*1-2(3)4;;;;;/h2*1H3,(H,3,4);2*1H2;;;",COQLPRJCUIATTQ-UHFFFAOYSA-N,C4H12O8U,426.16,426.104,,111,129,0,4,8,0,13,,,0,0,0,1,0,1,0,1,0,0,1,0,0,1,0,0,1,0,1,1
DIHYDROGEN HEXACHLOROPLATINATE HEXAHYDRATE,018497-13-7,134756,hexachloroplatinum(2-);hydron;hexahydrate,[H+].[H+].O.O.O.O.O.O.Cl[Pt-2](Cl)(Cl)(Cl)(Cl)Cl,InChI=1S/6ClH.6H2O.Pt/h6*1H;6*1H2;/q;;;;;;;;;;;;+4/p-4,PIJUVEPNGATXOD-UHFFFAOYSA-J,Cl6H14O6Pt,517.9,516.853999,,6,62,0,8,7,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0
BISMUTH SELENIDE (BI2SE3),012068-69-8,6379269,,[Se].[Se]=[Bi].[Se]=[Bi],InChI=1S/2Bi.3Se,OMEPJWROJCQMMU-UHFFFAOYSA-N,Bi2Se3,654.9,655.71115,,0,6,0,0,0,0,5,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"OCTANAMIDE, N-[2-[(2-HYDROXYETHYL)AMINO]ETHYL]-",063451-15-0,113225,N-[2-(2-hydroxyethylamino)ethyl]octanamide,CCCCCCCC(=O)NCCNCCO,"InChI=1S/C12H26N2O2/c1-2-3-4-5-6-7-12(16)14-9-8-13-10-11-15/h13,15H,2-11H2,1H3,(H,14,16)",SSZNVFVZGVRQFX-UHFFFAOYSA-N,C12H26N2O2,230.35,230.1994281,1.4,61.4,163,0,3,3,11,16,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"SODIUM SULFIDE, NONAHYDRATE",001313-84-4,73972,disodium;sulfide;nonahydrate,O.O.O.O.O.O.O.O.O.[Na+].[Na+].[S-2],InChI=1S/2Na.9H2O.S/h;;9*1H2;/q2*+1;;;;;;;;;;-2,ZGHLCBJZQLNUAZ-UHFFFAOYSA-N,H18Na2O9S,240.19,240.0466919,,10,0,0,9,10,0,12,,,1,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
POLY(ETHYLENE GLYCOL) DIACRYLATE,026570-48-9,75282,2-prop-2-enoyloxyethyl prop-2-enoate,C=CC(=O)OCCOC(=O)C=C,"InChI=1S/C8H10O4/c1-3-7(9)11-5-6-12-8(10)4-2/h3-4H,1-2,5-6H2",KUDUQBURMYMBIJ-UHFFFAOYSA-N,C8H10O4,170.16,170.0579088,1.2,52.6,173,0,0,4,7,12,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
LITHIUM BIS(PERFLUOROETHYLSULFONYL)IMIDE,132843-44-8,12096715,"lithium bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide",[Li+].C(C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(C(F)(F)F)(F)F)(F)(F)F,"InChI=1S/C4F10NO4S2.Li/c5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;/q-1;+1",ACFSQHQYDZIPRL-UHFFFAOYSA-N,C4F10LiNO4S2,387.1,386.9269099,,86,539,0,0,15,4,22,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
2-METHYLPENTANEDINITRILE,004553-62-2,20686,2-methylpentanedinitrile,CC(CCC#N)C#N,"InChI=1S/C6H8N2/c1-6(5-8)3-2-4-7/h6H,2-3H2,1H3",FPPLREPCQJZDAQ-UHFFFAOYSA-N,C6H8N2,108.14,108.0687483,0.5,47.6,142,0,0,2,2,8,"259 °F (NTP, 1992)","257 to 266 °F at 10 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANOL, 2-CHLORO-, PHOSPHITE (3:1)",000140-08-9,8783,tris(2-chloroethyl) phosphite,C(CCl)OP(OCCCl)OCCCl,InChI=1S/C6H12Cl3O3P/c7-1-4-10-13(11-5-2-8)12-6-3-9/h1-6H2,LUVCTYHBTXSAMX-UHFFFAOYSA-N,C6H12Cl3O3P,269.5,267.958964,1.8,27.7,90,0,0,3,9,13,"280 °F (NTP, 1992)","257 to 275 °F at 7 mmHg (NTP, 1992)",0,1,1,1,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,1
CESIUM FLUORIDE,013400-13-0,25953,cesium fluoride,[F-].[Cs+],InChI=1S/Cs.FH/h;1H/q+1;/p-1,XJHCXCQVJFPJIK-UHFFFAOYSA-M,CsF,151.9038551,151.9038551,,0,2,0,0,1,0,2,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
POTASSIUM TETRACYANOBORATE,261356-49-4,23686396,potassium tetracyanoboranuide,[B-](C#N)(C#N)(C#N)C#N.[K+],"InChI=1S/C4BN4.K/c6-1-5(2-7,3-8)4-9;/q-1;+1",SQFZXQOCCKUPEC-UHFFFAOYSA-N,C4BKN4,153.98,153.9853077,,95.2,241,0,0,5,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
OCTAFLUOROHEXANEDINITRILE,000376-53-4,67826,"2,2,3,3,4,4,5,5-octafluorohexanedinitrile",C(#N)C(C(C(C(C#N)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C6F8N2/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16",PZIVXXORSILYOQ-UHFFFAOYSA-N,C6F8N2,252.06,251.9933733,2.4,47.6,342,0,0,10,3,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isothiocyanic acid, 3-(methylsulfinyl)propyl ester",000505-44-2,10455,1-isothiocyanato-3-methylsulfinylpropane,CS(=O)CCCN=C=S,"InChI=1S/C5H9NOS2/c1-9(7)4-2-3-6-5-8/h2-4H2,1H3",LELAOEBVZLPXAZ-UHFFFAOYSA-N,C5H9NOS2,163.3,163.0125563,1,80.7,140,0,0,4,4,9,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,1,0,1,0,0,1
"DISELENIDE, DIETHYL",000628-39-7,69405,(ethyldiselanyl)ethane,CC[Se][Se]CC,"InChI=1S/C4H10Se2/c1-3-5-6-4-2/h3-4H2,1-2H3",OMAWWKIPXLIPDE-UHFFFAOYSA-N,C4H10Se2,216.06,217.91129,,0,17,0,0,0,3,6,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
(T-4)-SELENIUM BROMIDE (SEBR4),007789-65-3,82246,,[Se](Br)(Br)(Br)Br,"InChI=1S/Br4Se/c1-5(2,3)4",VTQZBGAODFEJOW-UHFFFAOYSA-N,Br4Se,398.59,399.58577,,0,19,0,0,0,0,5,,,1,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,1,0,1,0
"PROPANENITRILE, 2-AMINO-2-METHYL-",019355-69-2,88022,2-amino-2-methylpropanenitrile,CC(C)(C#N)N,"InChI=1S/C4H8N2/c1-4(2,6)3-5/h6H2,1-2H3",JQULXIOYDDCNGR-UHFFFAOYSA-N,C4H8N2,84.12,84.06874826,-0.3,49.8,85,0,1,2,0,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"N,N,N',N'-TETRAMETHYL-1,6-HEXANEDIAMINE",000111-18-2,8097,"N,N,N',N'-tetramethylhexane-1,6-diamine",CN(C)CCCCCCN(C)C,"InChI=1S/C10H24N2/c1-11(2)9-7-5-6-8-10-12(3)4/h5-10H2,1-4H3",TXXWBTOATXBWDR-UHFFFAOYSA-N,C10H24N2,172.31,172.1939488,1.7,6.5,77,0,0,2,7,12,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
HYDRAZINE DIHYDROCHLORIDE,005341-61-7,17548,hydrazine;dihydrochloride,NN.Cl.Cl,InChI=1S/2ClH.H4N2/c;;1-2/h2*1H;1-2H2,LIAWOTKNAVAKCX-UHFFFAOYSA-N,Cl2H6N2,104.96,103.9908036,,52,0,0,4,2,0,4,,,1,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"HYDRAZINE, MONOACETATE",007335-65-1,165591,acetic acid;hydrazine,CC(=O)O.NN,"InChI=1S/C2H4O2.H4N2/c1-2(3)4;1-2/h1H3,(H,3,4);1-2H2",YFHNDHXQDJQEEE-UHFFFAOYSA-N,C2H8N2O2,92.1,92.0585775,,89.3,31,0,3,4,0,6,,,1,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
HYDRAZINE SULFATE,010034-93-2,24842,hydrazine;sulfuric acid,NN.OS(=O)(=O)O,"InChI=1S/H4N2.H2O4S/c1-2;1-5(2,3)4/h1-2H2;(H2,1,2,3,4)",ZGCHATBSUIJLRL-UHFFFAOYSA-N,H6N2O4S,130.13,130.0048279,,135,81,0,4,6,0,7,,"DECOMPOSES (NTP, 1992)",1,1,1,1,0,1,1,1,0,0,0,0,0,0,0,0,1,1,0,0
TRI-N-PROPYLTIN CHLORIDE,002279-76-7,16784,chloro(tripropyl)stannane,CCC[Sn](CCC)(CCC)Cl,"InChI=1S/3C3H7.ClH.Sn/c3*1-3-2;;/h3*1,3H2,2H3;1H;/q;;;;+1/p-1",FVFLIQMADUVDSP-UHFFFAOYSA-M,C9H21ClSn,283.42,284.035381,,0,76,0,0,0,6,11,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIBUTYLTIN CHLORIDE,001461-22-9,15096,tributyl(chloro)stannane,CCCC[Sn](CCCC)(CCCC)Cl,"InChI=1S/3C4H9.ClH.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1",GCTFWCDSFPMHHS-UHFFFAOYSA-M,C12H27ClSn,325.5,326.082331,,0,104,0,0,0,9,14,,171-173 °C @ 25 mm Hg,1,1,1,1,0,0,1,1,0,0,1,0,0,1,0,0,1,1,1,0
LEAD STEARATE,007428-48-0,62636,lead(2+);octadecanoate,CCCCCCCCCCCCCCCCCC(=O)[O-].[Pb+2],"InChI=1S/C18H36O2.Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+2/p-1",LDVQENLWTVYIDQ-UHFFFAOYSA-M,C18H35O2Pb+,491,491.24036,,40.1,196,1,0,2,15,21,,,1,1,1,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,1
LITHIUM HYDROXIDE MONOHYDRATE,001310-66-3,168937,lithium;hydroxide;hydrate,[Li+].O.[OH-],InChI=1S/Li.2H2O/h;2*1H2/q+1;;/p-1,GLXDVVHUTZTUQK-UHFFFAOYSA-M,H3LiO2,42,42.02930777,,2,2,0,2,2,0,3,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TUNGSTEN SELENIDE,012067-46-8,82910,bis(selanylidene)tungsten,[Se]=[W]=[Se],InChI=1S/2Se.W,ROUIDRHELGULJS-UHFFFAOYSA-N,Se2W,341.8,343.78398,,0,18,0,0,0,0,3,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
IODOMETHANE-12C-D3,000865-50-9,2723978,trideuterio(iodo)methane,[2H]C([2H])([2H])I,InChI=1S/CH3I/c1-2/h1H3/i1D3,INQOMBQAUSQDDS-FIBGUPNXSA-N,CH3I,144.957,144.94678,1.5,0,2,0,0,0,0,2,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,1,0,1,1,0,1
NIOBIUM SELENIDE,012034-77-4,82841,bis(selanylidene)niobium,[Se]=[Nb]=[Se],InChI=1S/Nb.2Se,CXRFFSKFQFGBOT-UHFFFAOYSA-N,NbSe2,250.85,252.73942,,0,18,0,0,0,0,3,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
TANTALUM SELENIDE (TASE2),012039-55-3,82873,bis(selanylidene)tantalum,[Se]=[Ta]=[Se],InChI=1S/2Se.Ta,IYJABVNLJXJBTP-UHFFFAOYSA-N,Se2Ta,338.89,340.78104,,0,18,0,0,0,0,3,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
ANTIMONY SELENIDE (SB2SE3),001315-05-5,6914521,,[Se].[Se].[Se].[Sb].[Sb],InChI=1S/2Sb.3Se,GNZJTRGEKSBAAS-UHFFFAOYSA-N,Sb2Se3,480.4,481.55838,,0,4,0,0,0,0,5,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"SELENIOUS ACID, COPPER(2+) SALT (1:1)",010214-40-1,160923,copper selenite,[O-][Se](=O)[O-].[Cu+2],"InChI=1S/Cu.H2O3Se/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-2",JNRBLFVQPTZFAG-UHFFFAOYSA-L,CuO3Se,190.52,190.83086,,63.2,18,0,0,3,0,5,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
TITANIUM SELENIDE (TISE2),012067-45-7,82909,bis(selanylidene)titanium,[Ti](=[Se])=[Se],InChI=1S/2Se.Ti,SWFBFRDZBFXEHJ-UHFFFAOYSA-N,Se2Ti,205.81,207.78098,,0,18,0,0,0,0,3,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
HAFNIUM SELENIDE (HFSE2),012162-21-9,82955,bis(selanylidene)hafnium,[Se]=[Hf]=[Se],InChI=1S/Hf.2Se,LNMGXZOOXVAITI-UHFFFAOYSA-N,HfSe2,336.43,339.7796,,0,18,0,0,0,0,3,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
ZIRCONIUM SELENIDE (ZRSE2),012166-47-1,82961,bis(selanylidene)zirconium,[Se]=[Zr]=[Se],InChI=1S/2Se.Zr,HKXPEFKCXYKSFA-UHFFFAOYSA-N,Se2Zr,249.16,249.73774,,0,18,0,0,0,0,3,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
VANADIUM SELENIDE (VSE2),012299-51-3,83013,bis(selanylidene)vanadium,[V](=[Se])=[Se],InChI=1S/2Se.V,WCQOLGZNMNEYDX-UHFFFAOYSA-N,Se2V,208.88,210.777,,0,18,0,0,0,0,3,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"SELENIOUS ACID, ZINC SALT (1:1)",013597-46-1,159686,zinc selenite,[O-][Se](=O)[O-].[Zn+2],"InChI=1S/H2O3Se.Zn/c1-4(2)3;/h(H2,1,2,3);/q;+2/p-2",PEUPCBAALXHYHP-UHFFFAOYSA-L,O3SeZn,192.3,191.83041,,63.2,18,0,0,3,0,5,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"VANADATE (VO31-), CALCIUM (2:1)",014100-64-2,18780327,calcium bis(oxido(dioxo)vanadium),[O-][V](=O)=O.[O-][V](=O)=O.[Ca+2],InChI=1S/Ca.6O.2V/q+2;;;;;2*-1;;,DNWNZRZGKVWORZ-UHFFFAOYSA-N,CaO6V2,237.96,237.819994,,114,36,0,0,6,0,9,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
POTASSIUM CACODYLATE,021416-85-3,23702397,potassium dimethylarsinate,C[As](=O)(C)[O-].[K+],"InChI=1S/C2H7AsO2.K/c1-3(2,4)5;/h1-2H3,(H,4,5);/q;+1/p-1",HJRIWDYVYNNCFY-UHFFFAOYSA-M,C2H6AsKO2,176.09,175.92208,,40.1,65,0,0,2,0,6,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-PROPENOIC ACID, 2-ISOCYANATOETHYL ESTER",013641-96-8,3014768,2-isocyanatoethyl prop-2-enoate,C=CC(=O)OCCN=C=O,"InChI=1S/C6H7NO3/c1-2-6(9)10-4-3-7-5-8/h2H,1,3-4H2",DPNXHTDWGGVXID-UHFFFAOYSA-N,C6H7NO3,141.12,141.0425931,1.5,55.7,170,0,0,4,5,10,,,0,0,1,1,0,1,1,1,0,0,1,0,0,0,1,0,1,1,0,1
NICKEL CHLORIDE HEXAHYDRATE,007791-20-0,24645,nickel(2+);dichloride;hexahydrate,O.O.O.O.O.O.[Cl-].[Cl-].[Ni+2],InChI=1S/2ClH.Ni.6H2O/h2*1H;;6*1H2/q;;+2;;;;;;/p-2,LAIZPRYFQUWUBN-UHFFFAOYSA-L,Cl2H12NiO6,237.69,235.936435,,6,0,0,6,8,0,9,,,1,0,1,1,0,1,1,0,0,0,1,0,0,1,1,0,1,1,1,0
CADMIUM SELENIDE,001306-24-7,14784,selanylidenecadmium,[Se]=[Cd],InChI=1S/Cd.Se,AQCDIIAORKRFCD-UHFFFAOYSA-N,CdSe,191.38,193.81989,,0,2,0,0,0,0,2,,,1,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"SELENIOUS ACID, BARIUM SALT (1:1)",013718-59-7,166893,barium(2+) selenite,[O-][Se](=O)[O-].[Ba+2],"InChI=1S/Ba.H2O3Se/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-2",VQKDPABSEYUERS-UHFFFAOYSA-L,BaO3Se,264.3,265.80651,,63.2,18,0,0,3,0,5,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
LITHIUM HEXAFLUOROARSENATE,029935-35-1,9837036,lithium hexafluoroarsenic(1-),[Li+].F[As-](F)(F)(F)(F)F,"InChI=1S/AsF6.Li/c2-1(3,4,5,6)7;/q-1;+1",GTZQZEYBOGZTEO-UHFFFAOYSA-N,AsF6Li,195.9,195.928017,,0,62,0,0,7,0,8,,,1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
SELENIC ACID,007783-08-6,1089,selenic acid,O[Se](=O)(=O)O,"InChI=1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)",QYHFIVBSNOWOCQ-UHFFFAOYSA-N,H2O4Se,144.98,145.91183,,74.6,81,0,2,4,0,5,,Decomposes,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
METHYL BROMIDE,000074-83-9,6323,bromomethane,CBr,InChI=1S/CH3Br/c1-2/h1H3,GZUXJHMPEANEGY-UHFFFAOYSA-N,CH3Br,94.94,93.94181,1,0,2,0,0,0,0,2,"None (EPA, 1998)","38.4 °F at 760 mmHg (EPA, 1998)",1,0,1,1,0,0,0,1,0,0,1,0,0,0,0,0,1,0,1,1
"1,2-DIMETHYLHYDRAZINE",000540-73-8,1322,"1,2-dimethylhydrazine",CNNC,"InChI=1S/C2H8N2/c1-3-4-2/h3-4H,1-2H3",DIIIISSCIXVANO-UHFFFAOYSA-N,C2H8N2,60.1,60.06874826,-0.4,24.1,6,0,2,2,1,4,5 °F,"177.8 °F at 760 mmHg (USCG, 1999)",0,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,1-DICHLORO-1-NITROETHANE",000594-72-9,11674,"1,1-dichloro-1-nitroethane",CC([N+](=O)[O-])(Cl)Cl,"InChI=1S/C2H3Cl2NO2/c1-2(3,4)5(6)7/h1H3",OQOGEOLRYAOSKO-UHFFFAOYSA-N,C2H3Cl2NO2,143.95,142.9540837,1.6,45.8,86,0,0,2,0,7,"168 °F (NTP, 1992)","255 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-DICHLORO-2-BUTENE",000764-41-0,15122,"1,4-dichlorobut-2-ene",C(C=CCCl)Cl,"InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2",FQDIANVAWVHZIR-UHFFFAOYSA-N,C4H6Cl2,124.99,123.9846556,1.7,0,34,0,0,0,2,6,,"313 °F at 760 mmHg (USCG, 1999)",1,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0
3-MERCAPTO-1-PROPANOL,019721-22-3,88211,3-sulfanylpropan-1-ol,C(CO)CS,"InChI=1S/C3H8OS/c4-2-1-3-5/h4-5H,1-3H2",SHLSSLVZXJBVHE-UHFFFAOYSA-N,C3H8OS,92.16,92.02958605,0.2,21.2,16,0,2,2,2,5,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CHLOROACETONITRILE,000107-14-2,7856,2-chloroacetonitrile,C(C#N)Cl,InChI=1S/C2H2ClN/c3-1-2-4/h1H2,RENMDAKOXSCIGH-UHFFFAOYSA-N,C2H2ClN,75.5,74.9875768,0.5,23.8,41,0,0,1,0,4,"118 °F (NTP, 1992)","259 to 261 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CHLOROACETALDEHYDE,000107-20-0,33,2-chloroacetaldehyde,C(C=O)Cl,"InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2",QSKPIOLLBIHNAC-UHFFFAOYSA-N,C2H3ClO,78.5,77.9872424,0.3,17.1,20,0,0,1,1,4,"190 °F (NTP, 1992)","185 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0
METHYL BROMOACETATE,000096-32-2,60984,methyl 2-bromoacetate,COC(=O)CBr,"InChI=1S/C3H5BrO2/c1-6-3(5)2-4/h2H2,1H3",YDCHPLOFQATIDS-UHFFFAOYSA-N,C3H5BrO2,152.97,151.94729,0.9,26.3,52,0,0,2,2,6,,141 °C,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,1
HEXACHLOROBUTADIENE,000087-68-3,6901,"1,1,2,3,4,4-hexachlorobuta-1,3-diene",C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)Cl,InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10,RWNKSTSCBHKHTB-UHFFFAOYSA-N,C4Cl6,260.8,259.810166,4.8,0,160,0,0,0,1,10,90 °C,"419 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,1,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"2,3-DICHLORO-1-PROPANOL",000616-23-9,12018,"2,3-dichloropropan-1-ol",C(C(CCl)Cl)O,"InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2",ZXCYIJGIGSDJQQ-UHFFFAOYSA-N,C3H6Cl2O,128.98,127.9795702,0.8,20.2,32,0,1,1,2,6,"196.5 °F (NTP, 1992)","361 to 365 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ISOBUTYRIC ANHYDRIDE,000097-72-3,7346,2-methylpropanoyl 2-methylpropanoate,CC(C)C(=O)OC(=O)C(C)C,"InChI=1S/C8H14O3/c1-5(2)7(9)11-8(10)6(3)4/h5-6H,1-4H3",LSACYLWPPQLVSM-UHFFFAOYSA-N,C8H14O3,158.19,158.0942943,2,43.4,141,0,0,3,4,11,"139 °F (NFPA, 2010)",181.5 °C @ 734 MM HG,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DIMETHYLCYANAMIDE,001467-79-4,15112,dimethylcyanamide,CN(C)C#N,InChI=1S/C3H6N2/c1-5(2)3-4/h1-2H3,OAGOUCJGXNLJNL-UHFFFAOYSA-N,C3H6N2,70.09,70.0530982,-0.2,27,56,0,0,2,0,5,"160 °F (NTP, 1992)","326.3 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHORODITHIOIC ACID, O,O-DIETHYL ESTER",000298-06-6,9274,diethoxy-sulfanyl-sulfanylidene-lambda5-phosphane,CCOP(=S)(OCC)S,"InChI=1S/C4H11O2PS2/c1-3-5-7(8,9)6-4-2/h3-4H2,1-2H3,(H,8,9)",IRDLUHRVLVEUHA-UHFFFAOYSA-N,C4H11O2PS2,186.2,185.9938089,2.4,51.6,107,0,1,4,4,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"HEXANOIC ACID, 2-PROPENYL ESTER",000123-68-2,31266,prop-2-enyl hexanoate,CCCCCC(=O)OCC=C,"InChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3",RCSBILYQLVXLJG-UHFFFAOYSA-N,C9H16O2,156.22,156.1150297,2.7,26.3,119,0,0,2,7,11,,185.00 °C. @ 760.00 mm Hg,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"HEPTANOIC ACID, 2-PROPENYL ESTER",000142-19-8,8878,prop-2-enyl heptanoate,CCCCCCC(=O)OCC=C,"InChI=1S/C10H18O2/c1-3-5-6-7-8-10(11)12-9-4-2/h4H,2-3,5-9H2,1H3",SJWKGDGUQTWDRV-UHFFFAOYSA-N,C10H18O2,170.25,170.1306798,3.2,26.3,130,0,0,2,8,12,,210.00 to 212.00 °C. @ 760.00 mm Hg,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"2-PROPENAMIDE, N-(BUTOXYMETHYL)-",001852-16-0,15817,N-(butoxymethyl)prop-2-enamide,CCCCOCNC(=O)C=C,"InChI=1S/C8H15NO2/c1-3-5-6-11-7-9-8(10)4-2/h4H,2-3,5-7H2,1H3,(H,9,10)",UTSYWKJYFPPRAP-UHFFFAOYSA-N,C8H15NO2,157.21,157.1102787,1.3,38.3,123,0,1,2,6,11,,,0,1,1,1,0,1,0,1,0,0,0,0,0,1,0,0,1,0,0,1
GLUTARALDEHYDE,000111-30-8,3485,pentanedial,C(CC=O)CC=O,"InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2",SXRSQZLOMIGNAQ-UHFFFAOYSA-N,C5H8O2,100.12,100.0524295,-0.5,34.1,51,0,0,2,4,7,>95 °C c.c.,"369 to 372 °F at 760 mmHg (decomposes) (NTP, 1992)",1,0,1,1,0,0,1,0,0,0,0,0,0,0,1,0,1,1,0,1
"SILICIC ACID, LEAD SALT",011120-22-2,61535,dioxido(oxo)silane;lead(2+),[O-][Si](=O)[O-].[Pb+2],InChI=1S/O3Si.Pb/c1-4(2)3;/q-2;+2,AFPIWWDEGJLLCL-UHFFFAOYSA-N,O3PbSi,283,283.93832,,63.2,18,0,0,3,0,5,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
POTASSIUM HEXACHLOROPLATINATE(IV),016921-30-5,61856,dipotassium;hexachloroplatinum(2-),Cl[Pt-2](Cl)(Cl)(Cl)(Cl)Cl.[K+].[K+],InChI=1S/6ClH.2K.Pt/h6*1H;;;/q;;;;;;2*+1;+4/p-6,DPAIVKJGTXERIM-UHFFFAOYSA-H,Cl6K2Pt,486,484.702373,,0,62,0,0,1,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
POTASSIUM TETRACHLOROPLATINATE(II),010025-99-7,61440,dipotassium;tetrachloroplatinum(2-),Cl[Pt-2](Cl)(Cl)Cl.[K+].[K+],InChI=1S/4ClH.2K.Pt/h4*1H;;;/q;;;;2*+1;+2/p-4,RVRDLMCWUILSAH-UHFFFAOYSA-J,Cl4K2Pt,415.1,414.764668,,0,19,0,0,1,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0
"PLATINATE(2-), TETRACHLORO-, DISODIUM, (SP-4-1)-",010026-00-3,159251,disodium;platinum(2+);tetrachloride,[Na+].[Na+].[Cl-].[Cl-].[Cl-].[Cl-].[Pt+2],InChI=1S/4ClH.2Na.Pt/h4*1H;;;/q;;;;2*+1;+2/p-4,UXSGJRDAUMCHRP-UHFFFAOYSA-J,Cl4Na2Pt,382.9,382.816794,,0,0,0,0,4,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0
SODIUM SULFIDE (NA2(SX)),001344-08-7,15361821,,[Na+].[Na+].[S-]S[S-],InChI=1S/2Na.H2S3/c;;1-3-2/h;;1-2H/q2*+1;/p-2,OLPXIHXXKBDZES-UHFFFAOYSA-L,Na2S3,142.2,141.8957521,,27.3,0,0,0,3,0,5,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ARSENIC PENTOXIDE,001303-28-2,14771,,O=[As](=O)O[As](=O)=O,InChI=1S/As2O5/c3-1(4)7-2(5)6,COHDHYZHOPQOFD-UHFFFAOYSA-N,As2O5,229.84,229.81776,,77.5,123,0,0,5,0,7,"Not flammable (EPA, 1998)",Boiling point (-H2O): 160 °C /Hemihydrate/,1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
SELENIUM DIOXIDE,007446-08-4,24007,selenium dioxide,O=[Se]=O,InChI=1S/O2Se/c1-3-2,JPJALAQPGMAKDF-UHFFFAOYSA-N,O2Se,110.97,111.90635,,34.1,18,0,0,2,0,3,,"599 °F at 760 mmHg (sublimes) (USCG, 1999)",1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
POTASSIUM ARSENATE,007784-41-0,516881,potassium dihydrogen arsorate,O[As](=O)(O)[O-].[K+],"InChI=1S/AsH3O4.K/c2-1(3,4)5;/h(H3,2,3,4,5);/q;+1/p-1",GVPLVOGUVQAPNJ-UHFFFAOYSA-M,AsH2KO4,180.033,179.88061,,80.6,61,0,2,4,0,6,,,1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
OMETHOATE,001113-02-6,14210,2-dimethoxyphosphorylsulfanyl-N-methylacetamide,CNC(=O)CSP(=O)(OC)OC,"InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)",PZXOQEXFMJCDPG-UHFFFAOYSA-N,C5H12NO4PS,213.19,213.022466,-0.9,89.9,190,0,1,5,5,12,,Decomposes at about 135 °C,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MALONONITRILE,000109-77-3,8010,propanedinitrile,C(C#N)C#N,InChI=1S/C3H2N2/c4-2-1-3-5/h1H2,CUONGYYJJVDODC-UHFFFAOYSA-N,C3H2N2,66.06,66.02179807,-0.5,47.6,82,0,0,2,0,5,"266 °F (EPA, 1998)","424 to 426 °F at 760 mmHg (EPA, 1998)",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
VANADIUM (V) TRICHLORIDE OXIDE,007727-18-6,24410,oxovanadium;trihydrochloride,O=[V].Cl.Cl.Cl,InChI=1S/3ClH.O.V/h3*1H;;,JNKMSLLEOBTKQY-UHFFFAOYSA-N,Cl3H3OV,176.32,174.868905,,17.1,6,0,3,1,0,5,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
ETHOPROPHOS PESTANAL(R),013194-48-4,3289,1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane,CCCSP(=O)(OCC)SCCC,"InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3",VJYFKVYYMZPMAB-UHFFFAOYSA-N,C8H19O2PS2,242.3,242.0564092,3.6,76.9,152,0,0,4,8,13,,"187 to 196 °F at 0.2 mmHg (EPA, 1998)",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
POTASSIUM ARSENITE,010124-50-2,24967,potassium arsorite,[O-][As]([O-])[O-].[K+],InChI=1S/AsO3.K/c2-1(3)4;/q-3;+1,GLGWONYXPKJPGO-UHFFFAOYSA-N,AsKO3-2,162.018,161.870045,,69.2,8,-2,0,3,0,5,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
THIODICARB,059669-26-0,62155,methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]sulfanylcarbamoyl]oxyethanimidothioate,CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC,InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3,XDOTVMNBCQVZKG-UHFFFAOYSA-N,C10H18N4O4S3,354.5,354.0490186,1.7,160,393,0,0,9,8,21,,,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DICHLORVOS,000062-73-7,3039,"2,2-dichloroethenyl dimethyl phosphate",COP(=O)(OC)OC=C(Cl)Cl,"InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3",OEBRKCOSUFCWJD-UHFFFAOYSA-N,C4H7Cl2O4P,220.97,219.9459011,1.4,44.8,181,0,0,4,4,11,"Greater than 175F (EPA, 1998)","284 °F at 20 mmHg (EPA, 1998)",1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,1,1-TRIFLUORO-N-((TRIFLUOROMETHYL)SULFONYL)METHANESULFONAMIDE",082113-65-3,157857,"1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide",C(F)(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F,"InChI=1S/C2HF6NO4S2/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9H",ZXMGHDIOOHOAAE-UHFFFAOYSA-N,C2HF6NO4S2,281.16,280.9251188,1.3,97.1,374,0,1,11,2,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CHLOROACETIC ACID,000079-11-8,300,2-chloroacetic acid,C(C(=O)O)Cl,"InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)",FOCAUTSVDIKZOP-UHFFFAOYSA-N,C2H3ClO2,94.5,93.982157,0.2,37.3,42,0,1,2,1,5,"302 °F (EPA, 1998)","372 °F at 760 mmHg (EPA, 1998)",1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM FLUORIDE,007789-23-3,522689,potassium fluoride,[F-].[K+],InChI=1S/FH.K/h1H;/q;+1/p-1,NROKBHXJSPEDAR-UHFFFAOYSA-M,FK,58.0967,57.96210965,,0,2,0,0,1,0,2,,"2741 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
AMMONIUM HEXAFLUOROSILICATE,016919-19-0,28145,diazanium;hexafluorosilicon(2-),[NH4+].[NH4+].F[Si-2](F)(F)(F)(F)F,"InChI=1S/F6Si.2H3N/c1-7(2,3,4,5)6;;/h;2*1H3/q-2;;/p+2",ITHIMUMYFVCXSL-UHFFFAOYSA-P,F6H8N2Si,178.153,178.0360938,,2,62,0,2,7,0,9,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ANTIMONY (III) FLUORIDE,007783-56-4,24554,trifluorostibane,F[Sb](F)F,InChI=1S/3FH.Sb/h3*1H;/q;;;+3/p-3,GUNJVIDCYZYFGV-UHFFFAOYSA-K,F3Sb,178.755,177.89902,,0,8,0,0,3,0,4,,376 °C,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CARBON TETRACHLORIDE,000056-23-5,5943,tetrachloromethane,C(Cl)(Cl)(Cl)Cl,"InChI=1S/CCl4/c2-1(3,4)5",VZGDMQKNWNREIO-UHFFFAOYSA-N,CCl4,153.8,153.872461,2.8,0,19,0,0,0,0,5,,"170.1 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
SULFUR MONOCHLORIDE,010025-67-9,24807,chlorosulfanyl thiohypochlorite,S(SCl)Cl,InChI=1S/Cl2S2/c1-3-4-2,PXJJSXABGXMUSU-UHFFFAOYSA-N,Cl2S2,135,133.8818477,2.5,50.6,6,0,0,2,0,4,"245 °F (USCG, 1999)","280 °F at 760 mmHg (USCG, 1999)",1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ARSENIC METAL,007440-38-2,5359596,arsenic,[As],InChI=1S/As,RQNWIZPPADIBDY-UHFFFAOYSA-N,As,74.92159,74.921595,,0,0,0,0,0,0,1,,"1135 °F at 760 mmHg (sublimes) (USCG, 1999)",1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
NICKEL CHLORIDE,007718-54-9,24385,dichloronickel,Cl[Ni]Cl,InChI=1S/2ClH.Ni/h2*1H;/q;;+2/p-2,QMMRZOWCJAIUJA-UHFFFAOYSA-L,Cl2Ni,129.6,127.873047,,0,2,0,0,0,0,3,,Sublimes @ 973 °C; deliquesces,1,0,1,1,0,1,1,0,0,0,1,0,0,1,1,0,1,1,1,0
2-HYDROXYPROPYL ACRYLATE,000999-61-1,61249,2-hydroxypropyl prop-2-enoate,CC(COC(=O)C=C)O,"InChI=1S/C6H10O3/c1-3-6(8)9-4-5(2)7/h3,5,7H,1,4H2,2H3",GWZMWHWAWHPNHN-UHFFFAOYSA-N,C6H10O3,130.14,130.0629942,0.3,46.5,109,0,1,3,4,9,149 °F (closed cup),BP: 70 °C at 2 mm Hg,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
SELENIUM METAL (POWDER),007782-49-2,6326970,selenium,[Se],InChI=1S/Se,BUGBHKTXTAQXES-UHFFFAOYSA-N,Se,78.97,79.91652,,0,0,0,0,0,0,1,,"1265 °F at 760 mmHg (NIOSH, 2024)",0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"MANGANESE CHLORIDE, TETRAHYDRATE",013446-34-9,643989,dichloromanganese;tetrahydrate,O.O.O.O.Cl[Mn]Cl,InChI=1S/2ClH.Mn.4H2O/h2*1H;;4*1H2/q;;+2;;;;/p-2,CNFDGXZLMLFIJV-UHFFFAOYSA-L,Cl2H8MnO4,197.9,196.918007,,4,2,0,4,4,0,7,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0
HYDROXYPROPYL ACRYLATE,025584-83-2,16213126,"propane-1,2-diol;prop-2-enoic acid",CC(CO)O.C=CC(=O)O,"InChI=1S/C3H8O2.C3H4O2/c1-3(5)2-4;1-2-3(4)5/h3-5H,2H2,1H3;2H,1H2,(H,4,5)",AYEFIAVHMUFQPZ-UHFFFAOYSA-N,C6H12O4,148.16,148.0735589,,77.8,76,0,3,4,2,10,"207 °F (NFPA, 2010)",Decomposes at one atmosphere,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
DODECYLTRIMETHYLAMMONIUM BROMIDE,001119-94-4,14249,dodecyl(trimethyl)azanium bromide,CCCCCCCCCCCC[N+](C)(C)C.[Br-],"InChI=1S/C15H34N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1",XJWSAJYUBXQQDR-UHFFFAOYSA-M,C15H34BrN,308.34,307.18746,,0,135,0,0,1,11,17,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
SODIUM CHLOROACETATE,003926-62-3,23665759,sodium 2-chloroacetate,C(C(=O)[O-])Cl.[Na+],"InChI=1S/C2H3ClO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1",FDRCDNZGSXJAFP-UHFFFAOYSA-M,C2H2ClNaO2,116.48,115.9641013,,40.1,46,0,0,2,1,6,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
COPPER(II) ACETATE,000142-71-2,8895,copper diacetate,CC(=O)[O-].CC(=O)[O-].[Cu+2],"InChI=1S/2C2H4O2.Cu/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",OPQARKPSCNTWTJ-UHFFFAOYSA-L,C4H6CuO4,181.63,180.956206,,80.3,25,0,0,4,0,9,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
TRICHLOROACETONITRILE,000545-06-2,11011,"2,2,2-trichloroacetonitrile",C(#N)C(Cl)(Cl)Cl,"InChI=1S/C2Cl3N/c3-2(4,5)1-6",DRUIESSIVFYOMK-UHFFFAOYSA-N,C2Cl3N,144.38,142.909632,2.1,23.8,82,0,0,1,0,6,"165.5 °F (NTP, 1992)","181 to 183 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"TRIBUTYLTIN FLUORIDE, POLYMER",027615-98-1,16120,tributyl(fluoro)stannane,CCCC[Sn](CCCC)(CCCC)F,"InChI=1S/3C4H9.FH.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1",DFNPRTKVCGZMMC-UHFFFAOYSA-M,C12H27FSn,309.05,310.111882,,0,104,0,0,1,9,14,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"2-PROPENAMIDE, N-(HYDROXYMETHYL)-2-METHYL-",000923-02-4,70208,N-(hydroxymethyl)-2-methylprop-2-enamide,CC(=C)C(=O)NCO,"InChI=1S/C5H9NO2/c1-4(2)5(8)6-3-7/h7H,1,3H2,2H3,(H,6,8)",DNTMQTKDNSEIFO-UHFFFAOYSA-N,C5H9NO2,115.13,115.0633285,-0.1,49.3,109,0,2,2,2,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1
DIMETHYL CHLOROTHIOPHOSPHATE,002524-03-0,17304,chloro-dimethoxy-sulfanylidene-lambda5-phosphane,COP(=S)(OC)Cl,"InChI=1S/C2H6ClO2PS/c1-4-6(3,7)5-2/h1-2H3",XFBJRFNXPUCPKU-UHFFFAOYSA-N,C2H6ClO2PS,160.56,159.9514653,2,50.6,87,0,0,3,2,7,,"151 to 153 °F at 16 mmHg (EPA, 1998)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,2-PROPANEDIOL, DINITRATE",006423-43-4,22933,1-nitrooxypropan-2-yl nitrate,CC(CO[N+](=O)[O-])O[N+](=O)[O-],"InChI=1S/C3H6N2O6/c1-3(11-5(8)9)2-10-4(6)7/h3H,2H2,1H3",PSXCGTLGGVDWFU-UHFFFAOYSA-N,C3H6N2O6,166.09,166.0225859,1.2,110,147,0,0,6,3,11,,121 °C (decomposes),0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1
MANGANESE(II) CHLORIDE,007773-01-5,10313134,manganese(2+) dichloride,[Cl-].[Cl-].[Mn+2],InChI=1S/2ClH.Mn/h2*1H;/q;;+2/p-2,GLFNIEUTAYBVOC-UHFFFAOYSA-L,Cl2Mn,125.84,124.875748,,0,0,0,0,2,0,3,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0
ANTIMONY METAL (POWDER),007440-36-0,5354495,antimony,[Sb],InChI=1S/Sb,WATWJIUSRGPENY-UHFFFAOYSA-N,Sb,121.76,120.90381,,0,0,0,0,0,0,1,,"3182 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
VANADIUM PENTOXIDE,001314-62-1,14814,dioxovanadiooxy(dioxo)vanadium,O=[V](=O)O[V](=O)=O,InChI=1S/5O.2V,GNTDGMZSJNCJKK-UHFFFAOYSA-N,O5V2,181.88,181.862488,,77.5,123,0,0,5,0,7,,"3182 °F at 760 mmHg decomposition (EPA, 1998)",0,0,1,1,0,1,1,0,0,0,1,0,0,1,0,0,0,0,1,1
METHYL ETHYL KETOXIME,000096-29-7,7292,N-butan-2-ylidenehydroxylamine,CCC(=NO)C,"InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3",WHIVNJATOVLWBW-UHFFFAOYSA-N,C4H9NO,87.12,87.06841391,0.7,32.6,58,0,1,2,1,6,"138 °F (NTP, 1992)","306 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,1,1,1
AMMONIUM BIFLUORIDE,001341-49-7,14935,azanium;fluoride;hydrofluoride,[NH4+].F.[F-],InChI=1S/2FH.H3N/h2*1H;1H3,KVBCYCWRDBDGBG-UHFFFAOYSA-N,F2H5N,57.044,57.03900549,,1,0,0,2,2,0,3,,"463.1 °F at 760 mmHg (Decomposes at 446 °F) (USCG, 1999)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
LITHIUM HYDROXIDE,001310-65-2,3939,lithium hydroxide,[Li+].[OH-],InChI=1S/Li.H2O/h;1H2/q+1;/p-1,WMFOQBRAJBCJND-UHFFFAOYSA-M,HLiO,24,24.01874309,,1,2,0,1,1,0,2,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
BISTRIFLUOROMETHANESULFONIMIDE LITHIUM SALT,090076-65-6,87103854,,[Li].C(F)(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F,"InChI=1S/C2HF6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h9H;",UGEOMRBXRFUYJH-UHFFFAOYSA-N,C2HF6LiNO4S2,288.1,287.9411223,,97.1,374,0,1,11,2,16,,,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,1,0
MAGNESIUM MOLYBDATE,013767-03-8,3084170,magnesium dioxido(dioxo)molybdenum,[O-][Mo](=O)(=O)[O-].[Mg+2],InChI=1S/Mg.Mo.4O/q+2;;;;2*-1,MODMKKOKHKJFHJ-UHFFFAOYSA-N,MgMoO4,184.25,185.870104,,80.3,62,0,0,4,0,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BERYLLIUM METAL (SOLID),007440-41-7,5460467,beryllium,[Be],InChI=1S/Be,ATBAMAFKBVZNFJ-UHFFFAOYSA-N,Be,9.012183,9.0121831,,0,0,0,0,0,0,1,,"4532 °F at 760 mmHg (NIOSH, 2024)",0,0,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,1,1,1
BROMOACETIC ACID,000079-08-3,6227,2-bromoacetic acid,C(C(=O)O)Br,"InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)",KDPAWGWELVVRCH-UHFFFAOYSA-N,C2H3BrO2,138.95,137.93164,0.4,37.3,42,0,1,2,1,5,113 °C (235 °F) - closed cup,208 °C,1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
TETRABUTYLTIN,001461-25-2,15098,tetrabutylstannane,CCCC[Sn](CCCC)(CCCC)CCCC,"InChI=1S/4C4H9.Sn/c4*1-3-4-2;/h4*1,3-4H2,2H3;",AFCAKJKUYFLYFK-UHFFFAOYSA-N,C16H36Sn,347.2,348.183904,,0,116,0,0,0,12,17,,145 °C @ 10 mm Hg,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
CESIUM FLUOROALUMINATE,138577-01-2,16703277,cesium tetrafluoroalumanuide,F[Al-](F)(F)F.[Cs+],InChI=1S/Al.Cs.4FH/h;;4*1H/q+3;+1;;;;/p-4,UYFXWCIZFDKSTJ-UHFFFAOYSA-J,AlCsF4,235.880603,235.880603,,0,19,0,0,5,0,6,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
ARSENOUS TRIFLUORIDE,007784-35-2,24571,trifluoroarsane,F[As](F)F,InChI=1S/AsF3/c2-1(3)4,JCMGUODNZMETBM-UHFFFAOYSA-N,AsF3,131.9168,131.916804,,0,8,0,0,3,0,4,,57.8 °C,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
AMMONIUM FLUORIDE,012125-01-8,25516,azanium fluoride,[NH4+].[F-],InChI=1S/FH.H3N/h1H;1H3,LDDQLRUQCUTJBB-UHFFFAOYSA-N,FH4N,37.037,37.03277729,,1,0,0,1,1,0,2,,"212 °F at 760 mmHg (USCG, 1999)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ZINC FLUORIDE,007783-49-5,24551,difluorozinc,F[Zn]F,InChI=1S/2FH.Zn/h2*1H;/q;;+2/p-2,BHHYHSUAOQUXJK-UHFFFAOYSA-L,F2Zn,103.4,101.925948,,0,2,0,0,2,0,3,,"2732 °F at 760 mmHg (USCG, 1999)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BIS(2-MERCAPTOETHYL)SULFIDE,003570-55-6,77117,2-(2-sulfanylethylsulfanyl)ethanethiol,C(CSCCS)S,"InChI=1S/C4H10S3/c5-1-3-7-4-2-6/h5-6H,1-4H2",KSJBMDCFYZKAFH-UHFFFAOYSA-N,C4H10S3,154.3,153.9944638,1.5,27.3,26,0,2,3,4,7,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"BARIUM CHLORIDE, DIHYDRATE",010326-27-9,5284346,barium(2+);dichloride;dihydrate,O.O.[Cl-].[Cl-].[Ba+2],InChI=1S/Ba.2ClH.2H2O/h;2*1H;2*1H2/q+2;;;;/p-2,PWHCIQQGOQTFAE-UHFFFAOYSA-L,BaCl2H4O2,244.26,243.864082,,2,0,0,2,4,0,5,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
CADMIUM SULFATE ANHYDROUS,010124-36-4,24962,cadmium(2+) sulfate,[O-]S(=O)(=O)[O-].[Cd+2],"InChI=1S/Cd.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",QCUOBSQYDGUHHT-UHFFFAOYSA-L,CdO4S,208.48,209.855095,,88.6,62,0,0,4,0,6,,,1,0,1,1,0,1,1,0,0,0,1,0,0,1,0,0,0,0,1,0
"CADMIUM NITRATE, TETRAHYDRATE",010022-68-1,56924536,cadmium(2+);dinitrate;tetrahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.[Cd+2],InChI=1S/Cd.2NO3.4H2O/c;2*2-1(3)4;;;;/h;;;4*1H2/q+2;2*-1;;;;,QOYRNHQSZSCVOW-UHFFFAOYSA-N,CdH8N2O10,308.49,309.921259,,130,18,0,4,10,0,13,,,1,1,1,1,0,1,1,0,0,0,1,0,0,1,0,0,0,0,1,0
ANTIMONY POTASSIUM TARTRATE,028300-74-5,73415808,"dipotassium;bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate);trihydrate",[C@@H]([C@H](C(=O)[O-])[O-])(C(=O)[O-])[O-].[C@@H]([C@H](C(=O)[O-])[O-])(C(=O)[O-])[O-].O.O.O.[K+].[K+].[Sb+3].[Sb+3],"InChI=1S/2C4H4O6.2K.3H2O.2Sb/c2*5-1(3(7)8)2(6)4(9)10;;;;;;;/h2*1-2H,(H,7,8)(H,9,10);;;3*1H2;;/q2*-2;2*+1;;;;2*+3/p-4/t2*1-,2-;;;;;;;/m11......./s1",WBTCZEPSIIFINA-MSFWTACDSA-J,C8H10K2O15Sb2,667.87,667.73741,,256,123,0,3,15,2,27,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"ARSENIC ACID (H3ASO4), SODIUM SALT",007631-89-2,47275,trisodium;arsorate,[O-][As](=O)([O-])[O-].[Na+].[Na+].[Na+],"InChI=1S/AsH3O4.3Na/c2-1(3,4)5;;;/h(H3,2,3,4,5);;;/q;3*+1/p-3",CDBAKLRDFBGJOX-UHFFFAOYSA-K,AsNa3O4,207.889,207.870561,,86.3,36,0,0,4,0,8,,"356 °F at 760 mmHg (decomposes) (NTP, 1992)",0,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CHLORAL HYDRATE,000302-17-0,2707,"2,2,2-trichloroethane-1,1-diol",C(C(Cl)(Cl)Cl)(O)O,"InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H",RNFNDJAIBTYOQL-UHFFFAOYSA-N,C2H3Cl3O2,165.4,163.919862,1,40.5,56,0,2,2,0,7,,"207.5 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
N-NITROSOSARCOSINE,013256-22-9,25811,2-[methyl(nitroso)amino]acetic acid,CN(CC(=O)O)N=O,"InChI=1S/C3H6N2O3/c1-5(4-8)2-3(6)7/h2H2,1H3,(H,6,7)",HJMPSKKJHVWPBK-UHFFFAOYSA-N,C3H6N2O3,118.09,118.0378421,-0.2,70,103,0,1,5,2,8,,,0,0,0,1,0,1,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"COBALT(II) SULFATE, HEPTAHYDRATE",010026-24-1,61444,cobalt(2+);sulfate;heptahydrate,O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Co+2],"InChI=1S/Co.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,2,3,4);7*1H2/q+2;;;;;;;;/p-2",MEYVLGVRTYSQHI-UHFFFAOYSA-L,CoH14O11S,281.11,280.958876,,95.6,62,0,7,11,0,13,,"1355 °F at 760 mmHg (decomposes) (NTP, 1992)",1,0,0,1,0,1,1,1,0,0,1,0,0,1,1,0,0,1,0,0
"1,2-DIBROMO-3-CHLOROPROPANE",000096-12-8,7280,"1,2-dibromo-3-chloropropane",C(C(CBr)Br)Cl,"InChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2",WBEJYOJJBDISQU-UHFFFAOYSA-N,C3H5Br2Cl,236.33,235.8426,2.4,0,32,0,0,0,2,6,"170 °F (NTP, 1992)","385 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,1,1,0,0,0,1,0,0,1,0,0,0,0,1,0
"1,2-DIETHYLHYDRAZINE",001615-80-1,15374,"1,2-diethylhydrazine",CCNNCC,"InChI=1S/C4H12N2/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3",YCBOYOYVDOUXLH-UHFFFAOYSA-N,C4H12N2,88.15,88.10004839,0.3,24.1,17,0,2,2,3,6,,85.5 °C,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BORIC ACID (HBO2), BARIUM SALT",013701-59-2,6101043,barium(2+);oxido(oxo)borane,B(=O)[O-].B(=O)[O-].[Ba+2],InChI=1S/2BO2.Ba/c2*2-1-3;/q2*-1;+2,QBLDFAIABQKINO-UHFFFAOYSA-N,B2BaO4,222.95,223.903516,,80.3,7,0,0,4,0,7,,,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
CADMIUM CHLORIDE,010108-64-2,24947,dichlorocadmium,Cl[Cd]Cl,InChI=1S/Cd.2ClH/h;2*1H/q+2;;/p-2,YKYOUMDCQGMQQO-UHFFFAOYSA-L,CdCl2,183.32,183.84107,,0,2,0,0,0,0,3,,"1760 °F at 760 mmHg (NTP, 1992)",1,0,1,1,0,1,1,0,0,0,1,0,0,1,0,0,0,0,1,0
SODIUM BIFLUORIDE,001333-83-1,219061,sodium;fluoride;hydrofluoride,F.[F-].[Na+],InChI=1S/2FH.Na/h2*1H;/q;;+1/p-1,BFXAWOHHDUIALU-UHFFFAOYSA-M,F2HNa,61.9946,61.99440064,,0,2,0,1,2,0,3,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,2-DIBROMO-2-CYANOACETAMIDE",010222-01-2,25059,"2,2-dibromo-2-cyanoacetamide",C(#N)C(C(=O)N)(Br)Br,"InChI=1S/C3H2Br2N2O/c4-3(5,1-6)2(7)8/h(H2,7,8)",UUIVKBHZENILKB-UHFFFAOYSA-N,C3H2Br2N2O,241.87,241.85134,0.6,66.9,156,0,1,2,1,8,,Decomposes at 190 °C,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,0
"PHOSPHONIC ACID, (1-HYDROXYETHYLIDENE)BIS-, TRISODIUM SALT",002666-14-0,17572,trisodium;hydroxy-(1-hydroxy-1-phosphonatoethyl)phosphinate,CC(O)(P(=O)(O)[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+],"InChI=1S/C2H8O7P2.3Na/c1-2(3,10(4,5)6)11(7,8)9;;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;;/q;3*+1/p-3",KCYJBQNPOFBNHE-UHFFFAOYSA-K,C2H5Na3O7P2,271.97,271.9203593,,144,221,0,2,7,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BERYLLIUM SULFATE TETRAHYDRATE,007787-56-6,62672,beryllium;sulfate;tetrahydrate,[Be+2].O.O.O.O.[O-]S(=O)(=O)[O-],"InChI=1S/Be.H2O4S.4H2O/c;1-5(2,3)4;;;;/h;(H2,1,2,3,4);4*1H2/q+2;;;;;/p-2",DIMYTQPLZWDZFE-UHFFFAOYSA-L,BeH8O8S,177.14,177.0061714,,92.6,62,0,4,8,0,10,,"1076 °F at 760 mmHg (Decomposes) (NTP, 1992)",0,0,1,1,0,1,1,1,0,0,0,0,0,0,0,0,1,1,1,1
"STANNANE, DIBUTYLOXO-",000818-08-6,61221,dibutyl(oxo)tin,CCCC[Sn](=O)CCCC,"InChI=1S/2C4H9.O.Sn/c2*1-3-4-2;;/h2*1,3-4H2,2H3;;",JGFBRKRYDCGYKD-UHFFFAOYSA-N,C8H18OSn,248.94,250.037968,,17.1,81,0,0,1,6,10,,161.9 °C,0,0,0,1,0,0,0,1,0,0,1,0,0,1,0,0,1,0,1,0
SEMICARBAZIDE HYDROCHLORIDE,000563-41-7,11236,aminourea;hydrochloride,C(=O)(N)NN.Cl,"InChI=1S/CH5N3O.ClH/c2-1(5)4-3;/h3H2,(H3,2,4,5);1H",XHQYBDSXTDXSHY-UHFFFAOYSA-N,CH6ClN3O,111.53,111.0199395,,81.1,42,0,4,2,0,6,,"347 to 365 °F at 760 mmHg DECOMPOSES (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,0
SODIUM SILICOFLUORIDE,016893-85-9,28127,disodium;hexafluorosilicon(2-),F[Si-2](F)(F)(F)(F)F.[Na+].[Na+],"InChI=1S/F6Si.2Na/c1-7(2,3,4,5)6;;/q-2;2*+1",TWGUZEUZLCYTCG-UHFFFAOYSA-N,F6Na2Si,188.055,187.9468841,,0,62,0,0,7,0,9,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BROMOFORM,000075-25-2,5558,bromoform,C(Br)(Br)Br,InChI=1S/CHBr3/c2-1(3)4/h1H,DIKBFYAXUHHXCS-UHFFFAOYSA-N,CHBr3,252.73,251.76079,2.8,0,8,0,0,0,0,4,,"301.1 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
METHYLENE IODIDE,000075-11-6,6346,diiodomethane,C(I)I,InChI=1S/CH2I2/c2-1-3/h1H2,NZZFYRREKKOMAT-UHFFFAOYSA-N,CH2I2,267.835,267.8246,2.3,0,2,0,0,0,0,3,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
SUCCINONITRILE,000110-61-2,8062,butanedinitrile,C(CC#N)C#N,InChI=1S/C4H4N2/c5-3-1-2-4-6/h1-2H2,IAHFWCOBPZCAEA-UHFFFAOYSA-N,C4H4N2,80.09,80.03744814,-1,47.6,92,0,0,2,1,6,"270 °F (NTP, 1992)","509 to 513 °F at 760 mmHg (NTP, 1992)",1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"FERRIC CHLORIDE, ANHYDROUS",007705-08-0,24380,trichloroiron,Cl[Fe](Cl)Cl,InChI=1S/3ClH.Fe/h3*1H;/q;;;+3/p-3,RBTARNINKXHZNM-UHFFFAOYSA-K,Cl3Fe,162.2,160.841494,,0,8,0,0,0,0,4,,"599 °F at 760 mmHg (Decomposes) (NTP, 1992)",0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
AMMONIUM THIOCYANATE,001762-95-4,15666,azanium thiocyanate,C(#N)[S-].[NH4+],InChI=1S/CHNS.H3N/c2-1-3;/h3H;1H3,SOIFLUNRINLCBN-UHFFFAOYSA-N,CH4N2S,76.12,76.00951931,,25.8,31,0,1,2,0,4,,"Solid decomposes (USCG, 1999)",0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
CUPRIC ACETATE MONOHYDRATE,006046-93-1,165397,copper;diacetate;hydrate,CC(=O)[O-].CC(=O)[O-].O.[Cu+2],"InChI=1S/2C2H4O2.Cu.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+2;/p-2",NWFNSTOSIVLCJA-UHFFFAOYSA-L,C4H8CuO5,199.65,198.96677,,81.3,25,0,1,5,0,10,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"IRON(2+) CHLORIDE, TETRAHYDRATE",013478-10-9,16211588,dichloroiron;tetrahydrate,O.O.O.O.Cl[Fe]Cl,InChI=1S/2ClH.Fe.4H2O/h2*1H;;4*1H2/q;;+2;;;;/p-2,WSSMOXHYUFMBLS-UHFFFAOYSA-L,Cl2FeH8O4,198.81,197.9149,,4,2,0,4,4,0,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
LITHIUM CARBONATE,000554-13-2,11125,dilithium;carbonate,[Li+].[Li+].C(=O)([O-])[O-],"InChI=1S/CH2O3.2Li/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",XGZVUEUWXADBQD-UHFFFAOYSA-L,CLi2O3,73.9,74.01675073,,63.2,18,0,0,3,0,6,,Decomposes at 1300 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,1
SODIUM SULFITE ANHYDROUS,007757-83-7,24437,disodium;sulfite,[O-]S(=O)[O-].[Na+].[Na+],"InChI=1S/2Na.H2O3S/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2",GEHJYWRUCIMESM-UHFFFAOYSA-L,Na2O3S,126.05,125.9363536,,82.4,18,0,0,4,0,6,,"Decomposes (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ZINC ACETATE,000557-34-6,11192,zinc diacetate,CC(=O)[O-].CC(=O)[O-].[Zn+2],"InChI=1S/2C2H4O2.Zn/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",DJWUNCQRNNEAKC-UHFFFAOYSA-L,C4H6O4Zn,183.5,181.95575,,80.3,25,0,0,4,0,9,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
ZINC SULFATE,007733-02-0,24424,zinc sulfate,[O-]S(=O)(=O)[O-].[Zn+2],"InChI=1S/H2O4S.Zn/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2",NWONKYPBYAMBJT-UHFFFAOYSA-L,O4SZn,161.4,159.880871,,88.6,62,0,0,4,0,6,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
GLYCOLIC ACID,000079-14-1,757,2-hydroxyacetic acid,C(C(=O)O)O,"InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)",AEMRFAOFKBGASW-UHFFFAOYSA-N,C2H4O3,76.05,76.01604399,-1.1,57.5,40,0,2,3,1,5,,100 °C,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DITHIOTHREITOL,003483-12-3,439196,"(2R,3R)-1,4-bis(sulfanyl)butane-2,3-diol",C([C@@H]([C@H](CS)O)O)S,"InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m0/s1",VHJLVAABSRFDPM-IMJSIDKUSA-N,C4H10O2S2,154.3,154.0122219,-0.4,42.5,52,0,4,4,3,8,,BP: 115-116 °C at 1 mm Hg,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
CETYLTRIMETHYLAMMONIUM BROMIDE,000057-09-0,5974,hexadecyl(trimethyl)azanium bromide,CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-],"InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1",LZZYPRNAOMGNLH-UHFFFAOYSA-M,C19H42BrN,364.4,363.25006,,0,181,0,0,1,15,21,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
ETHYLENEDIAMINE DIHYDROCHLORIDE,000333-18-6,9521,"ethane-1,2-diamine;dihydrochloride",C(CN)N.Cl.Cl,InChI=1S/C2H8N2.2ClH/c3-1-2-4;;/h1-4H2;2*1H,OHHBFEVZJLBKEH-UHFFFAOYSA-N,C2H10Cl2N2,133.02,132.0221037,,52,6,0,4,2,1,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
DIETHYL SULFATE,000064-67-5,6163,diethyl sulfate,CCOS(=O)(=O)OCC,"InChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3",DENRZWYUOJLTMF-UHFFFAOYSA-N,C4H10O4S,154.19,154.02998,1.1,61,130,0,0,4,4,9,"220 °F (USCG, 1999)","409 °F at 760 mmHg (USCG, 1999)",0,1,1,1,0,1,0,0,0,0,1,0,0,0,0,0,1,0,0,0
"ZINC BROMIDE, SOLID",007699-45-8,10421208,zinc dibromide,[Zn+2].[Br-].[Br-],InChI=1S/2BrH.Zn/h2*1H;/q;;+2/p-2,VNDYJBBGRKZCSX-UHFFFAOYSA-L,Br2Zn,225.2,223.76377,,0,0,0,0,2,0,3,,697 °C,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"1,3-DIBUTYL-2-THIOUREA",000109-46-6,2723622,"1,3-dibutylthiourea",CCCCNC(=S)NCCCC,"InChI=1S/C9H20N2S/c1-3-5-7-10-9(12)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12)",KFFQABQEJATQAT-UHFFFAOYSA-N,C9H20N2S,188.34,188.1347198,2.8,56.2,103,0,2,1,6,12,,,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
2-CHLOROPROPIONIC ACID,000598-78-7,11734,2-chloropropanoic acid,CC(C(=O)O)Cl,"InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)",GAWAYYRQGQZKCR-UHFFFAOYSA-N,C3H5ClO2,108.52,107.9978071,0.8,37.3,61,0,1,2,1,6,"225 °F (USCG, 1999)","366 °F at 760 mmHg (USCG, 1999)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DIETHYL ETHYLPHOSPHONATE,000078-38-6,6534,1-[ethoxy(ethyl)phosphoryl]oxyethane,CCOP(=O)(CC)OCC,"InChI=1S/C6H15O3P/c1-4-8-10(7,6-3)9-5-2/h4-6H2,1-3H3",AATNZNJRDOVKDD-UHFFFAOYSA-N,C6H15O3P,166.16,166.0758813,0.6,35.5,114,0,0,3,5,10,"220 °F (NTP, 1992)","180 to 181 °F at 11 mmHg (NTP, 1992)",0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
CUPRIC BROMIDE,007789-45-9,24611,dibromocopper,[Cu](Br)Br,InChI=1S/2BrH.Cu/h2*1H;/q;;+2/p-2,QTMDXZNDVAMKGV-UHFFFAOYSA-L,Br2Cu,223.35,222.76422,,0,2,0,0,0,0,3,,900 °C,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
ETHANESUFONYL CHLORIDE,000594-44-5,11667,ethanesulfonyl chloride,CCS(=O)(=O)Cl,"InChI=1S/C2H5ClO2S/c1-2-6(3,4)5/h2H2,1H3",FRYHCSODNHYDPU-UHFFFAOYSA-N,C2H5ClO2S,128.58,127.9698783,0.8,42.5,108,0,0,2,1,6,,177.5 °C,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
LEVULINIC ACID,000123-76-2,11579,4-oxopentanoic acid,CC(=O)CCC(=O)O,"InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)",JOOXCMJARBKPKM-UHFFFAOYSA-N,C5H8O3,116.11,116.0473441,-0.5,54.4,106,0,1,3,3,8,,245.00 to 246.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
METHOXYACETIC ACID,000625-45-6,12251,2-methoxyacetic acid,COCC(=O)O,"InChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)",RMIODHQZRUFFFF-UHFFFAOYSA-N,C3H6O3,90.08,90.03169405,-0.3,46.5,50,0,1,3,2,6,"greater than 235 °F (NTP, 1992)","397 to 399 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0
NICKEL(II) ACETATE TETRAHYDRATE,006018-89-9,62601,nickel(2+);diacetate;tetrahydrate,CC(=O)[O-].CC(=O)[O-].O.O.O.O.[Ni+2],"InChI=1S/2C2H4O2.Ni.4H2O/c2*1-2(3)4;;;;;/h2*1H3,(H,3,4);;4*1H2/q;;+2;;;;/p-2",OINIXPNQKAZCRL-UHFFFAOYSA-L,C4H14NiO8,248.84,248.004209,,84.3,25,0,4,8,0,13,,,0,0,1,1,0,1,0,0,0,0,1,0,0,1,1,0,0,1,1,0
STRONTIUM HYDROXIDE,018480-07-4,87672,strontium dihydroxide,[OH-].[OH-].[Sr+2],InChI=1S/2H2O.Sr/h2*1H2;/q;;+2/p-2,UUCCCPNEFXQJEL-UHFFFAOYSA-L,H2O2Sr,121.63,121.9110916,,2,0,0,2,2,0,3,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TETRAPROPYLAMMONIUM HYDROXIDE,004499-86-9,20586,tetrapropylazanium hydroxide,CCC[N+](CCC)(CCC)CCC.[OH-],"InChI=1S/C12H28N.H2O/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H2/q+1;/p-1",LPSKDVINWQNWFE-UHFFFAOYSA-M,C12H29NO,203.36,203.2249145,,1,80,0,1,1,8,14,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
TRIS(2-CHLOROETHYL) PHOSPHATE,000115-96-8,8295,tris(2-chloroethyl) phosphate,C(CCl)OP(=O)(OCCCl)OCCCl,"InChI=1S/C6H12Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H2",HQUQLFOMPYWACS-UHFFFAOYSA-N,C6H12Cl3O4P,285.5,283.953879,1.3,44.8,152,0,0,4,9,14,"450 °F (NTP, 1992)","626 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
LEAD FORMATE,000811-54-1,61216,lead(2+) diformate,C(=O)[O-].C(=O)[O-].[Pb+2],"InChI=1S/2CH2O2.Pb/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2",ZGVSCHRFRACEIO-UHFFFAOYSA-L,C2H2O4Pb,297,297.97196,,80.3,7,0,0,4,0,7,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"ALUMINUM BROMIDE, ANHYDROUS",007727-15-3,24409,tribromoalumane,[Al](Br)(Br)Br,InChI=1S/Al.3BrH/h;3*1H/q+3;;;/p-3,PQLAYKMGZDUDLQ-UHFFFAOYSA-K,AlBr3,266.69,265.7345,,0,8,0,0,0,0,4,,255 °C,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
1-ETHYL-3-(3-DIMETHYLAMINOPROPYL)-CARBODIIMIDE HYDROCHLORIDE,025952-53-8,2723939,"3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride",CCN=C=NCCCN(C)C.Cl,"InChI=1S/C8H17N3.ClH/c1-4-9-8-10-6-5-7-11(2)3;/h4-7H2,1-3H3;1H",FPQQSJJWHUJYPU-UHFFFAOYSA-N,C8H18ClN3,191.7,191.1189253,,28,134,0,1,3,5,12,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,1
SODIUM HEXAFLUOROPHOSPHATE,021324-39-0,5147921,sodium hexafluorophosphate,F[P-](F)(F)(F)(F)F.[Na+],"InChI=1S/F6P.Na/c1-7(2,3,4,5)6;/q-1;+1",KMADQUOCJBLXRP-UHFFFAOYSA-N,F6NaP,167.9539502,167.9539503,,0,67,0,0,7,0,8,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CHLOROFORM-D,000865-49-6,71583,trichloro(deuterio)methane,[2H]C(Cl)(Cl)Cl,InChI=1S/CHCl3/c2-1(3)4/h1H/i1D,HEDRZPFGACZZDS-MICDWDOJSA-N,CHCl3,120.38,118.92066,2.3,0,8,0,0,0,0,4,,,0,0,1,1,0,1,0,1,0,0,0,0,0,1,0,0,1,0,1,1
POTASSIUM DEUTEROXIDE,024572-01-8,3084427,,[2H][O-].[K+],InChI=1S/K.H2O/h;1H2/q+1;/p-1/i/hD,KWYUFKZDYYNOTN-DYCDLGHISA-M,HKO,57.112,56.97272288,,1,2,0,1,1,0,2,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CETYLTRIMETHYLAMMONIUM CHLORIDE,000112-02-7,8154,hexadecyl(trimethyl)azanium chloride,CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-],"InChI=1S/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1",WOWHHFRSBJGXCM-UHFFFAOYSA-M,C19H42ClN,320,319.300578,,0,181,0,0,1,15,21,"69 °F (USCG, 1999)","180 °F at 760 mmHg (isopropyl alcohol) (USCG, 1999)",1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
MOLYBDENUM HEXAFLUORIDE,007783-77-9,82219,hexafluoromolybdenum,F[Mo](F)(F)(F)(F)F,InChI=1S/6FH.Mo/h6*1H;/q;;;;;;+6/p-6,RLCOZMCCEKDUPY-UHFFFAOYSA-H,F6Mo,209.94,211.895823,,0,62,0,0,6,0,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
3-BROMOPROPIONIC ACID,000590-92-1,11553,3-bromopropanoic acid,C(CBr)C(=O)O,"InChI=1S/C3H5BrO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)",DHXNZYCXMFBMHE-UHFFFAOYSA-N,C3H5BrO2,152.97,151.94729,0.5,37.3,52,0,1,2,2,6,,140-142 °C @ 45 MM HG,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
NIOBIUM(V) CHLORIDE,010026-12-7,24818,pentachloroniobium,Cl[Nb](Cl)(Cl)(Cl)Cl,InChI=1S/5ClH.Nb/h5*1H;/q;;;;;+5/p-5,YHBDIEWMOMLKOO-UHFFFAOYSA-I,Cl5Nb,270.2,269.74769,,0,37,0,0,0,0,6,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ZINC SULFATE HEPTAHYDRATE,007446-20-0,62640,zinc;sulfate;heptahydrate,O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Zn+2],"InChI=1S/H2O4S.7H2O.Zn/c1-5(2,3)4;;;;;;;;/h(H2,1,2,3,4);7*1H2;/q;;;;;;;;+2/p-2",RZLVQBNCHSJZPX-UHFFFAOYSA-L,H14O11SZn,287.6,285.954824,,95.6,62,0,7,11,0,13,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYLPHOSPHONIC ACID,000993-13-5,13818,methylphosphonic acid,CP(=O)(O)O,"InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)",YACKEPLHDIMKIO-UHFFFAOYSA-N,CH5O3P,96.022,95.99763101,-1.6,57.5,61,0,2,3,0,5,,Decomposes,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TRIMETHYLHEXAMETHYLENE DIAMINE,003236-53-1,92950,"2,2,4-trimethylhexane-1,6-diamine",CC(CCN)CC(C)(C)CN,"InChI=1S/C9H22N2/c1-8(4-5-10)6-9(2,3)7-11/h8H,4-7,10-11H2,1-3H3",JCUZDQXWVYNXHD-UHFFFAOYSA-N,C9H22N2,158.28,158.1782987,1,52,99,0,2,2,5,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
HYDROXYLAMINE-O-SULFONIC ACID,002950-43-8,76284,amino hydrogen sulfate,NOS(=O)(=O)O,"InChI=1S/H3NO4S/c1-5-6(2,3)4/h1H2,(H,2,3,4)",DQPBABKTKYNPMH-UHFFFAOYSA-N,H3NO4S,113.1,112.9782788,-3.9,98,104,0,2,5,1,6,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
IODOACETONITRILE,000624-75-9,69356,2-iodoacetonitrile,C(C#N)I,InChI=1S/C2H2IN/c3-1-2-4/h1H2,VODKOOOHHCAWFR-UHFFFAOYSA-N,C2H2IN,166.95,166.9232,0.7,23.8,41,0,0,1,0,4,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
COBALT(II) SULFATE HYDRATE,060459-08-7,16210984,cobalt(2+);sulfate;hydrate,O.[O-]S(=O)(=O)[O-].[Co+2],"InChI=1S/Co.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+2;;/p-2",BGORGFZEVHFAQU-UHFFFAOYSA-L,CoH2O5S,173.01,172.895488,,89.6,62,0,1,5,0,7,,,1,0,0,1,0,1,1,0,0,0,1,0,0,1,1,0,0,1,0,0
COBALT(II) CHLORIDE HYDRATE,069098-14-2,16211468,dichlorocobalt;hydrate,O.Cl[Co]Cl,InChI=1S/2ClH.Co.H2O/h2*1H;;1H2/q;;+2;/p-2,QVCGXRQVUIKNGS-UHFFFAOYSA-L,Cl2CoH2O,147.85,146.881464,,1,2,0,1,1,0,4,,,1,0,0,1,0,1,1,0,0,0,1,0,0,1,1,0,0,1,0,0
DIETHYL CYANOMETHYLPHOSPHONATE,002537-48-6,75676,2-diethoxyphosphorylacetonitrile,CCOP(=O)(CC#N)OCC,"InChI=1S/C6H12NO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-4,6H2,1-2H3",KWMBADTWRIGGGG-UHFFFAOYSA-N,C6H12NO3P,177.14,177.0554802,0,59.3,185,0,0,4,5,11,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
HEXAFLUOROISOPROPANOL,000920-66-1,13529,"1,1,1,3,3,3-hexafluoropropan-2-ol",C(C(F)(F)F)(C(F)(F)F)O,"InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H",BYEAHWXPCBROCE-UHFFFAOYSA-N,C3H2F6O,168.04,168.0009837,1.7,20.2,97,0,1,7,0,10,"greater than 200 °F (NTP, 1992)","138 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,1
THIOGLYCEROL,000096-27-5,7291,"3-sulfanylpropane-1,2-diol",C(C(CS)O)O,"InChI=1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2",PJUIMOJAAPLTRJ-UHFFFAOYSA-N,C3H8O2S,108.16,108.0245007,-0.8,41.5,32,0,3,3,2,6,,118 °C @ 5 MM HG,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
SILVER(I) FLUORIDE,007775-41-9,165912,silver fluoride,[F-].[Ag+],InChI=1S/Ag.FH/h;1H/q+1;/p-1,REYHXKZHIMGNSE-UHFFFAOYSA-M,AgF,126.867,125.90349,,0,0,0,0,1,0,2,,"2118 °F at 760 mmHg (USCG, 1999)",1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
2-(DIISOPROPYLAMINO)ETHANOL,000096-80-0,7313,2-[di(propan-2-yl)amino]ethanol,CC(C)N(CCO)C(C)C,"InChI=1S/C8H19NO/c1-7(2)9(5-6-10)8(3)4/h7-8,10H,5-6H2,1-4H3",ZYWUVGFIXPNBDL-UHFFFAOYSA-N,C8H19NO,145.24,145.1466642,1.2,23.5,73,0,1,2,4,10,"175 °F (NFPA, 2010)",,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
TETRABUTYLAMMONIUM TETRAFLUOROBORATE,000429-42-5,67932,tetrabutylazanium tetrafluoroborate,[B-](F)(F)(F)F.CCCC[N+](CCCC)(CCCC)CCCC,"InChI=1S/C16H36N.BF4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)5/h5-16H2,1-4H3;/q+1;-1",NNZZSJSQYOFZAM-UHFFFAOYSA-N,C16H36BF4N,329.3,329.287693,,0,135,0,0,5,12,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIMETHYL-2,4,6-OCTATRIENE",000673-84-7,5368821,"(4E,6E)-2,6-dimethylocta-2,4,6-triene",C/C=C(\C)/C=C/C=C(C)C,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3/b8-6+,10-5+",GQVMHMFBVWSSPF-SOYUKNQTSA-N,C10H16,136.23,136.1252005,4.2,0,164,0,0,0,2,10,,,1,0,0,1,1,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
STRONTIUM CHROMATE,007789-06-2,24599,strontium dioxido(dioxo)chromium,[O-][Cr](=O)(=O)[O-].[Sr+2],InChI=1S/Cr.4O.Sr/q;;;2*-1;+2,NVKTUNLPFJHLCG-UHFFFAOYSA-N,CrO4Sr,203.61,203.825775,,80.3,62,0,0,4,0,6,,,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-DECANESULFONIC ACID, SODIUM SALT",013419-61-9,2724181,sodium decane-1-sulfonate,CCCCCCCCCCS(=O)(=O)[O-].[Na+],"InChI=1S/C10H22O3S.Na/c1-2-3-4-5-6-7-8-9-10-14(11,12)13;/h2-10H2,1H3,(H,11,12,13);/q;+1/p-1",AIMUHNZKNFEZSN-UHFFFAOYSA-M,C10H21NaO3S,244.33,244.11091,,65.6,209,0,0,3,9,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BROMOTRIDECANE,000765-09-3,13000,1-bromotridecane,CCCCCCCCCCCCCBr,"InChI=1S/C13H27Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3",BFDNZQUBFCYTIC-UHFFFAOYSA-N,C13H27Br,263.26,262.12961,7.6,0,91,0,0,0,11,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-CHLOROBUTYRIC ACID,000627-00-9,12300,4-chlorobutanoic acid,C(CC(=O)O)CCl,"InChI=1S/C4H7ClO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)",IPLKGJHGWCVSOG-UHFFFAOYSA-N,C4H7ClO2,122.55,122.0134572,0.6,37.3,62,0,1,2,3,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRIBUTYL BORATE,000688-74-4,12712,tributyl borate,B(OCCCC)(OCCCC)OCCCC,"InChI=1S/C12H27BO3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3",LGQXXHMEBUOXRP-UHFFFAOYSA-N,C12H27BO3,230.15,230.2053249,,27.7,110,0,0,3,12,16,200 °F (open cup),"446 to 448 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
EUROPIUM OXALATE,003269-12-3,165097,bis(europium(3+));oxalate,C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Eu+3].[Eu+3],"InChI=1S/3C2H2O4.2Eu/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6",PVDYMOCCGHXJAK-UHFFFAOYSA-H,C6Eu2O12,567.98,567.78007,,241,60,0,0,12,0,20,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
BARIUM HYDROXIDE OCTAHYDRATE,012230-71-6,17749109,barium(2+);dihydroxide;octahydrate,O.O.O.O.O.O.O.O.[OH-].[OH-].[Ba+2],InChI=1S/Ba.10H2O/h;10*1H2/q+2;;;;;;;;;;/p-2,ZUDYPQRUOYEARG-UHFFFAOYSA-L,BaH18O10,315.46,315.995244,,10,0,0,10,10,0,11,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
COBALT(III) ACETYLACETONATE,021679-46-9,56840974,"cobalt(3+);tris(pentane-2,4-dione)",CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Co+3],"InChI=1S/3C5H7O2.Co/c3*1-4(6)3-5(2)7;/h3*3H,1-2H3;/q3*-1;+3",VACIXPOMJJIDBM-UHFFFAOYSA-N,C15H21CoO6,356.26,356.067007,,102,314,0,0,9,0,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
COPPER(II) HYDROXIDE,020427-59-2,164826,copper dihydroxide,[OH-].[OH-].[Cu+2],InChI=1S/Cu.2H2O/h;2*1H2/q+2;;/p-2,JJLJMEJHUUYSSY-UHFFFAOYSA-L,CuH2O2,97.56,96.935076,,2,0,0,2,2,0,3,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
COBALT(II) ACETYLACETONATE HYDRATE,123334-29-2,16212262,cobalt;bis((Z)-4-hydroxypent-3-en-2-one);hydrate,C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.O.[Co],"InChI=1S/2C5H8O2.Co.H2O/c2*1-4(6)3-5(2)7;;/h2*3,6H,1-2H3;;1H2/b2*4-3-;;",JHWSVOFBMAXGJH-SUKNRPLKSA-N,C10H18CoO5,277.18,277.048617,,75.6,239,0,3,5,2,16,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0
NICKEL(II) CARBONATE HYDROXIDE TETRAHYDRATE,012244-51-8,74765564,nickel;bis(nickel(2+));dicarbonate;decahydrate,C(=O)([O-])[O-].C(=O)([O-])[O-].O.O.O.O.O.O.O.O.O.O.[Ni].[Ni].[Ni].[Ni+2].[Ni+2],"InChI=1S/2CH2O3.5Ni.10H2O/c2*2-1(3)4;;;;;;;;;;;;;;;/h2*(H2,2,3,4);;;;;;10*1H2/q;;;;;2*+2;;;;;;;;;;/p-4",KSQJQIDWVHEXCI-UHFFFAOYSA-J,C2H20Ni5O16,593.64,591.74729,,136,18,0,10,16,0,23,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,1,0,1,1,0,1
TETRABUTYLAMMONIUM HYDROGEN SULFATE,032503-27-8,94433,hydrogen sulfate;tetrabutylazanium,CCCC[N+](CCCC)(CCCC)CCCC.OS(=O)(=O)[O-],"InChI=1S/C16H36N.H2O4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1",SHFJWMWCIHQNCP-UHFFFAOYSA-M,C16H37NO4S,339.5,339.2443298,,85.8,192,0,1,4,12,22,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
STRONTIUM IODIDE,010476-86-5,25304,strontium diiodide,[Sr+2].[I-].[I-],InChI=1S/2HI.Sr/h2*1H;/q;;+2/p-2,KRIJWFBRWPCESA-UHFFFAOYSA-L,I2Sr,341.43,341.71456,,0,2,0,0,2,0,3,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PERFLUOROTRIPROPYLAMINE,000338-83-0,67645,"1,1,2,2,3,3,3-heptafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)propan-1-amine",C(C(N(C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F,"InChI=1S/C9F21N/c10-1(11,4(16,17)18)7(25,26)31(8(27,28)2(12,13)5(19,20)21)9(29,30)3(14,15)6(22,23)24",JAJLKEVKNDUJBG-UHFFFAOYSA-N,C9F21N,521.07,520.9695404,7.9,3.2,555,0,0,22,6,31,,130 °C,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,8-DIAMINOOCTANE",000373-44-4,24250,"octane-1,8-diamine",C(CCCCN)CCCN,InChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2,PWGJDPKCLMLPJW-UHFFFAOYSA-N,C8H20N2,144.26,144.1626486,0.9,52,47,0,2,2,7,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
DIOCTYLAMINE,001120-48-5,3094,N-octyloctan-1-amine,CCCCCCCCNCCCCCCCC,"InChI=1S/C16H35N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3",LAWOZCWGWDVVSG-UHFFFAOYSA-N,C16H35N,241.46,241.2769501,6.6,12,109,0,1,1,14,17,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
TETRABUTYLAMMONIUM IODIDE,000311-28-4,67553,tetrabutylazanium iodide,CCCC[N+](CCCC)(CCCC)CCCC.[I-],"InChI=1S/C16H36N.HI/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1",DPKBAXPHAYBPRL-UHFFFAOYSA-M,C16H36IN,369.37,369.18925,,0,116,0,0,1,12,18,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"ZINC ACETATE, DIHYDRATE",005970-45-6,24212194,acetic acid;zinc;hydrate,CC(=O)O.O.[Zn],"InChI=1S/C2H4O2.H2O.Zn/c1-2(3)4;;/h1H3,(H,3,4);1H2;",AJBKKRFPIWOFAE-UHFFFAOYSA-N,C2H6O3Zn,143.4,141.960836,,38.3,31,0,2,3,0,6,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
IRON(III) FLUORIDE TRIHYDRATE,015469-38-2,44890702,trifluoroiron;trihydrate,O.O.O.F[Fe](F)F,InChI=1S/3FH.Fe.3H2O/h3*1H;;3*1H2/q;;;+3;;;/p-3,XILAUHRDSUSGOG-UHFFFAOYSA-K,F3FeH6O3,166.89,166.961839,,3,8,0,3,6,0,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TRIETHYLENE GLYCOL DIAMINE,000929-59-9,70248,2-[2-(2-aminoethoxy)ethoxy]ethanamine,C(COCCOCCN)N,InChI=1S/C6H16N2O2/c7-1-3-9-5-6-10-4-2-8/h1-8H2,IWBOPFCKHIJFMS-UHFFFAOYSA-N,C6H16N2O2,148.2,148.1211778,-2,70.5,53,0,2,4,7,10,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,1,0,1,1,0,1
"TUNGSTOPHOSPHORIC ACID, HYDRATE",012501-23-4,16212977,phosphoric acid;dodecakis(trioxotungsten);hydrate,O.OP(=O)(O)O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O,"InChI=1S/H3O4P.H2O.36O.12W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h(H3,1,2,3,4);1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;",AVFBYUADVDVJQL-UHFFFAOYSA-N,H5O41PW12,2898.1,2897.21628,,693,112,0,4,41,0,54,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,2,2-TRICHLOROETHANOL",000115-20-8,8259,"2,2,2-trichloroethanol",C(C(Cl)(Cl)Cl)O,"InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2",KPWDGTGXUYRARH-UHFFFAOYSA-N,C2H3Cl3O,149.4,147.924948,1.4,20.2,38,0,1,1,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SEBACOYL CHLORIDE,000111-19-3,66072,decanedioyl dichloride,C(CCCCC(=O)Cl)CCCC(=O)Cl,InChI=1S/C10H16Cl2O2/c11-9(13)7-5-3-1-2-4-6-8-10(12)14/h1-8H2,WMPOZLHMGVKUEJ-UHFFFAOYSA-N,C10H16Cl2O2,239.14,238.0527351,4.1,34.1,161,0,0,2,9,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DODECYLTRIMETHYLAMMONIUM CHLORIDE,000112-00-5,8152,dodecyl(trimethyl)azanium chloride,CCCCCCCCCCCC[N+](C)(C)C.[Cl-],"InChI=1S/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1",DDXLVDQZPFLQMZ-UHFFFAOYSA-M,C15H34ClN,263.89,263.2379778,,0,135,0,0,1,11,17,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"CALCIUM 2,4-PENTANEDIONATE",019372-44-2,5488840,calcium bis((Z)-4-oxopent-2-en-2-olate),C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Ca+2],"InChI=1S/2C5H8O2.Ca/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2/b2*4-3-;",QAZYYQMPRQKMAC-FDGPNNRMSA-L,C10H14CaO4,238.29,238.0517998,,80.3,90,0,0,4,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,1,0,1
ZIRCONIUM SULFATE,014644-61-2,26793,zirconium(4+) disulfate,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Zr+4],"InChI=1S/2H2O4S.Zr/c2*1-5(2,3)4;/h2*(H2,1,2,3,4);/q;;+4/p-4",ZXAUZSQITFJWPS-UHFFFAOYSA-J,O8S2Zr,283.4,281.808158,,177,62,0,0,8,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N'-ETHYLENEDIAMINEDIACETIC ACID",005657-17-0,61975,2-[2-(carboxymethylamino)ethylamino]acetic acid,C(CNCC(=O)O)NCC(=O)O,"InChI=1S/C6H12N2O4/c9-5(10)3-7-1-2-8-4-6(11)12/h7-8H,1-4H2,(H,9,10)(H,11,12)",IFQUWYZCAGRUJN-UHFFFAOYSA-N,C6H12N2O4,176.17,176.0797069,-6,98.7,142,0,4,6,7,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
VANADIUM (II) CHLORIDE,010580-52-6,66355,dichlorovanadium,Cl[V]Cl,InChI=1S/2ClH.V/h2*1H;/q;;+2/p-2,ITAKKORXEUJTBC-UHFFFAOYSA-L,Cl2V,121.84,120.881663,,0,2,0,0,0,0,3,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DIMETHYL ACETYLENEDICARBOXYLATE,000762-42-5,12980,dimethyl but-2-ynedioate,COC(=O)C#CC(=O)OC,InChI=1S/C6H6O4/c1-9-5(7)3-4-6(8)10-2/h1-2H3,VHILMKFSCRWWIJ-UHFFFAOYSA-N,C6H6O4,142.11,142.0266087,0.8,52.6,184,0,0,4,2,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM DICYANAMIDE,001934-75-4,4350929,sodium dicyanoazanide,C(#N)[N-]C#N.[Na+],InChI=1S/C2N3.Na/c3-1-5-2-4;/q-1;+1,IXBPPZBJIFNGJJ-UHFFFAOYSA-N,C2N3Na,89.03,88.99899129,,48.6,86,0,0,3,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
2-BROMO-3-METHYLBUTYRIC ACID,000565-74-2,11268,2-bromo-3-methylbutanoic acid,CC(C)C(C(=O)O)Br,"InChI=1S/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)",UEBARDWJXBGYEJ-UHFFFAOYSA-N,C5H9BrO2,181.03,179.97859,1.9,37.3,90,0,1,2,2,8,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
VANADIUM(III) CHLORIDE,007718-98-1,62647,trichlorovanadium,Cl[V](Cl)Cl,InChI=1S/3ClH.V/h3*1H;/q;;;+3/p-3,HQYCOEXWFMFWLR-UHFFFAOYSA-K,Cl3V,157.3,155.850516,,0,8,0,0,0,0,4,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRIMETHYLOCTADECYLAMMONIUM BROMIDE,001120-02-1,70708,trimethyl(octadecyl)azanium bromide,CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-],"InChI=1S/C21H46N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1",SZEMGTQCPRNXEG-UHFFFAOYSA-M,C21H46BrN,392.5,391.28136,,0,204,0,0,1,17,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
FERRIC SULFATE HYDRATE,015244-10-7,167265,bis(iron(3+));trisulfate;hydrate,O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Fe+3].[Fe+3],"InChI=1S/2Fe.3H2O4S.H2O/c;;3*1-5(2,3)4;/h;;3*(H2,1,2,3,4);1H2/q2*+3;;;;/p-6",VXWSFRMTBJZULV-UHFFFAOYSA-H,Fe2H2O13S3,417.9,417.735625,,267,62,0,1,13,0,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
STEARYLTRIMETHYLAMMONIUM CHLORIDE,000112-03-8,8155,trimethyl(octadecyl)azanium chloride,CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-],"InChI=1S/C21H46N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1",VBIIFPGSPJYLRR-UHFFFAOYSA-M,C21H46ClN,348,347.3318782,,0,204,0,0,1,17,23,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"N,N-DIMETHYLDODECYLAMINE",000112-18-5,8168,"N,N-dimethyldodecan-1-amine",CCCCCCCCCCCCN(C)C,"InChI=1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3",YWFWDNVOPHGWMX-UHFFFAOYSA-N,C14H31N,213.4,213.24565,5.9,3.2,110,0,0,1,11,15,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
2-(ETHYLAMINO)ETHANOL,000110-73-6,8072,2-(ethylamino)ethanol,CCNCCO,"InChI=1S/C4H11NO/c1-2-5-3-4-6/h5-6H,2-4H2,1H3",MIJDSYMOBYNHOT-UHFFFAOYSA-N,C4H11NO,89.14,89.08406397,-0.5,32.3,23,0,2,2,3,6,"160 °F (NFPA, 2010)",,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM METHYL SULFATE,000562-54-9,2733094,potassium methyl sulfate,COS(=O)(=O)[O-].[K+],"InChI=1S/CH4O4S.K/c1-5-6(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1",WBGWGHYJIFOATF-UHFFFAOYSA-M,CH3KO4S,150.2,149.9389112,,74.8,108,0,0,4,1,7,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ZINC SULFATE, MONOHYDRATE",007446-19-7,62639,zinc;sulfate;hydrate,O.[O-]S(=O)(=O)[O-].[Zn+2],"InChI=1S/H2O4S.H2O.Zn/c1-5(2,3)4;;/h(H2,1,2,3,4);1H2;/q;;+2/p-2",RNZCSKGULNFAMC-UHFFFAOYSA-L,H2O5SZn,179.5,177.891436,,89.6,62,0,1,5,0,7,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
MYRISTAMIDOPROPYL BETAINE,059272-84-3,3034644,2-[dimethyl-[3-(tetradecanoylamino)propyl]azaniumyl]acetate,CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-],"InChI=1S/C21H42N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-16-20(24)22-17-15-18-23(2,3)19-21(25)26/h4-19H2,1-3H3,(H-,22,24,25,26)",QGCUAFIULMNFPJ-UHFFFAOYSA-N,C21H42N2O3,370.6,370.3195432,6.4,69.2,365,0,1,3,17,26,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"N,N-DIMETHYL-1-HEXADECANAMINE",000112-69-6,16221,"N,N-dimethylhexadecan-1-amine",CCCCCCCCCCCCCCCCN(C)C,"InChI=1S/C18H39N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h4-18H2,1-3H3",NHLUVTZJQOJKCC-UHFFFAOYSA-N,C18H39N,269.5,269.3082502,8,3.2,154,0,0,1,15,19,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
POLYOXYETHYLENE (2) STEARYL AMINE,010213-78-2,61494,2-[2-hydroxyethyl(octadecyl)amino]ethanol,CCCCCCCCCCCCCCCCCCN(CCO)CCO,"InChI=1S/C22H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25/h24-25H,2-22H2,1H3",NDLNTMNRNCENRZ-UHFFFAOYSA-N,C22H47NO2,357.6,357.3606797,7.7,43.7,230,0,2,3,21,25,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM LAURYL SULFOACETATE,001847-58-1,23668827,sodium 2-dodecoxy-2-oxoethanesulfonate,CCCCCCCCCCCCOC(=O)CS(=O)(=O)[O-].[Na+],"InChI=1S/C14H28O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-19-14(15)13-20(16,17)18;/h2-13H2,1H3,(H,16,17,18);/q;+1/p-1",UAJTZZNRJCKXJN-UHFFFAOYSA-M,C14H27NaO5S,330.42,330.1476894,,91.9,338,0,0,5,14,21,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMMONIUM LAURYL SULFATE,002235-54-3,16700,azanium dodecyl sulfate,CCCCCCCCCCCCOS(=O)(=O)[O-].[NH4+],"InChI=1S/C12H26O4S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);1H3",BTBJBAZGXNKLQC-UHFFFAOYSA-N,C12H29NO4S,283.43,283.1817296,,75.8,230,0,1,4,11,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
NICKEL OLEATE,013001-15-5,44146226,nickel(2+);bis((Z)-octadec-9-enoate),CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Ni+2],"InChI=1S/2C18H34O2.Ni/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2/b2*10-9-;",LVBIMKHYBUACBU-CVBJKYQLSA-L,C36H66NiO4,621.6,620.431452,,80.3,228,0,0,4,28,41,,,0,0,1,1,0,1,0,0,0,0,1,0,0,1,1,0,1,1,1,0
LEAD OLEATE,001120-46-3,6435829,lead(2+);bis((Z)-octadec-9-enoate),CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Pb+2],"InChI=1S/2C18H34O2.Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2/b2*10-9-;",OGWDBCXXWRKGJC-CVBJKYQLSA-L,C36H66O4Pb,770,770.47276,,80.3,228,0,0,4,28,41,,,0,0,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
UNDECYLAMINE,007307-55-3,81742,undecan-1-amine,CCCCCCCCCCCN,"InChI=1S/C11H25N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-12H2,1H3",QFKMMXYLAPZKIB-UHFFFAOYSA-N,C11H25N,171.32,171.1986998,4.7,26,71,0,1,1,9,12,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
ISOPROPYL METHANE SULFONATE,000926-06-7,13551,propan-2-yl methanesulfonate,CC(C)OS(=O)(=O)C,"InChI=1S/C4H10O3S/c1-4(2)7-8(3,5)6/h4H,1-3H3",SWWHCQCMVCPLEQ-UHFFFAOYSA-N,C4H10O3S,138.19,138.0350654,0.4,51.8,139,0,0,3,2,8,,82 °C at 6 mm Hg,0,0,0,1,0,1,0,0,0,0,1,0,0,0,0,0,1,0,0,0
METHYLTRIACETOXYSILANE,004253-34-3,77929,[diacetyloxy(methyl)silyl] acetate,CC(=O)O[Si](C)(OC(=O)C)OC(=O)C,"InChI=1S/C7H12O6Si/c1-5(8)11-14(4,12-6(2)9)13-7(3)10/h1-4H3",TVJPBVNWVPUZBM-UHFFFAOYSA-N,C7H12O6Si,220.25,220.0403146,,78.9,220,0,0,6,6,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CHROMIUM(II) IODIDE,013478-28-9,18626753,chromium(2+) diiodide,[Cr+2].[I-].[I-],InChI=1S/Cr.2HI/h;2*1H/q+2;;/p-2,BMSDTRMGXCBBBH-UHFFFAOYSA-L,CrI2,305.805,305.74945,,0,0,0,0,2,0,3,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
SAMARIUM COBALT,012017-68-4,159396,cobalt;samarium,[Co].[Co].[Co].[Co].[Co].[Sm],InChI=1S/5Co.Sm,NDYCBWZIOSTTHS-UHFFFAOYSA-N,Co5Sm,445,446.58571,,0,0,0,0,0,0,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
NICKEL ANTIMONIDE,012035-52-8,6328536,antimony;nickel(3+),[Ni+3].[Sb],InChI=1S/Ni.Sb/q+3;,IMPIWCJNMFOUQI-UHFFFAOYSA-N,NiSb+3,180.453,178.83915,,0,0,3,0,0,0,2,,,0,0,1,1,0,1,1,0,0,0,0,0,0,0,1,0,0,1,0,0
"DAB-AM-16, POLYPROPYLENIMINE HEXADECAAMINE DENDRIMER, GENERATION 3.0",154487-85-1,4097414,"N,N,N',N'-tetrakis[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl]butane-1,4-diamine",C(CCN(CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CN(CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN,InChI=1S/C88H208N30/c89-31-3-49-107(50-4-32-90)69-23-81-115(82-24-70-108(51-5-33-91)52-6-34-92)77-19-65-105(66-20-78-116(83-25-71-109(53-7-35-93)54-8-36-94)84-26-72-110(55-9-37-95)56-10-38-96)47-1-2-48-106(67-21-79-117(85-27-73-111(57-11-39-97)58-12-40-98)86-28-74-112(59-13-41-99)60-14-42-100)68-22-80-118(87-29-75-113(61-15-43-101)62-16-44-102)88-30-76-114(63-17-45-103)64-18-46-104/h1-104H2,MVMZFIQOIDKSFP-UHFFFAOYSA-N,C88H208N30,1686.8,1685.719827,-3.6,462,1500,0,16,30,101,118,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DAB-AM-8, POLYPROPYLENIMINE OCTAAMINE DENDRIMER, GENERATION 2.0",154487-83-9,3425467,"N,N,N',N'-tetrakis[3-[bis(3-aminopropyl)amino]propyl]butane-1,4-diamine",C(CCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN,InChI=1S/C40H96N14/c41-15-3-25-51(26-4-16-42)37-11-33-49(34-12-38-52(27-5-17-43)28-6-18-44)23-1-2-24-50(35-13-39-53(29-7-19-45)30-8-20-46)36-14-40-54(31-9-21-47)32-10-22-48/h1-48H2,WAEBEGSYPODNCE-UHFFFAOYSA-N,C40H96N14,773.3,772.7942391,-2.1,228,582,0,8,14,45,54,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"LEAD II 2,4-PENTANEDIONATE",015282-88-9,16684899,bis(4-oxopent-2-en-2-yloxy)lead,CC(=CC(=O)C)O[Pb]OC(=CC(=O)C)C,"InChI=1S/2C5H8O2.Pb/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2",UNNUWSQNTAFLDC-UHFFFAOYSA-L,C10H14O4Pb,405,406.06586,,52.6,275,0,0,4,6,15,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"1,10-DIAMINODECANE",000646-25-3,1317,"decane-1,10-diamine",C(CCCCCN)CCCCN,InChI=1S/C10H24N2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-12H2,YQLZOAVZWJBZSY-UHFFFAOYSA-N,C10H24N2,172.31,172.1939488,1.9,52,64,0,2,2,9,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PHOSPHONOACETIC ACID,004408-78-0,546,2-phosphonoacetic acid,C(C(=O)O)P(=O)(O)O,"InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)",XUYJLQHKOGNDPB-UHFFFAOYSA-N,C2H5O5P,140.03,139.9874603,-2,94.8,133,0,3,5,2,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
GUANIDINE CARBONATE,000593-85-1,11650,carbonic acid;bis(guanidine),C(=N)(N)N.C(=N)(N)N.C(=O)(O)O,"InChI=1S/2CH5N3.CH2O3/c3*2-1(3)4/h2*(H5,2,3,4);(H2,2,3,4)",STIAPHVBRDNOAJ-UHFFFAOYSA-N,C3H12N6O3,180.17,180.0970883,,209,52,0,8,5,0,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
IRON BROMIDE,007789-46-0,82240,iron(2+) dibromide,[Fe+2].[Br-].[Br-],InChI=1S/2BrH.Fe/h2*1H;/q;;+2/p-2,GYCHYNMREWYSKH-UHFFFAOYSA-L,Br2Fe,215.65,215.76956,,0,0,0,0,2,0,3,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM HEXAMETHYLDISILAZANE,001070-89-9,2724254,sodium bis(trimethylsilyl)azanide,C[Si](C)(C)[N-][Si](C)(C)C.[Na+],"InChI=1S/C6H18NSi2.Na/c1-8(2,3)7-9(4,5)6;/h1-6H3;/q-1;+1",WRIKHQLVHPKCJU-UHFFFAOYSA-N,C6H18NNaSi2,183.37,183.0875469,,1,80,0,0,1,2,10,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
ETHYLTRIACETOXYSILANE,017689-77-9,87244,[diacetyloxy(ethyl)silyl] acetate,CC[Si](OC(=O)C)(OC(=O)C)OC(=O)C,"InChI=1S/C8H14O6Si/c1-5-15(12-6(2)9,13-7(3)10)14-8(4)11/h5H2,1-4H3",KXJLGCBCRCSXQF-UHFFFAOYSA-N,C8H14O6Si,234.28,234.0559647,,78.9,234,0,0,6,7,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
LEAD (II) THIOCYANATE,000592-87-0,11616,lead(2+) dithiocyanate,C(#N)[S-].C(#N)[S-].[Pb+2],InChI=1S/2CHNS.Pb/c2*2-1-3;/h2*3H;/q;;+2/p-2,VRNINGUKUJWZTH-UHFFFAOYSA-L,C2N2PbS2,323,323.92694,,49.6,31,0,0,4,0,7,,,1,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"3,3'-DIAMINO-N-METHYLDIPROPYLAMINE",000105-83-9,7777,"N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine",CN(CCCN)CCCN,"InChI=1S/C7H19N3/c1-10(6-2-4-8)7-3-5-9/h2-9H2,1H3",KMBPCQSCMCEPMU-UHFFFAOYSA-N,C7H19N3,145.25,145.1578976,-0.9,55.3,57,0,2,3,6,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
N-TETRADECYLPHOSPHONIC ACID,004671-75-4,78401,tetradecylphosphonic acid,CCCCCCCCCCCCCCP(=O)(O)O,"InChI=1S/C14H31O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17/h2-14H2,1H3,(H2,15,16,17)",BVQJQTMSTANITJ-UHFFFAOYSA-N,C14H31O3P,278.37,278.2010818,5.1,57.5,213,0,2,3,13,18,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"IRON(II) IODIDE, ANHYDROUS",007783-86-0,82220,iron(2+) diiodide,[Fe+2].[I-].[I-],InChI=1S/Fe.2HI/h;2*1H/q+2;;/p-2,BQZGVMWPHXIKEQ-UHFFFAOYSA-L,FeI2,309.65,309.74388,,0,0,0,0,2,0,3,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
TRIPENTYLAMINE,000621-77-2,12133,"N,N-dipentylpentan-1-amine",CCCCCN(CCCCC)CCCCC,"InChI=1S/C15H33N/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3",OOHAUGDGCWURIT-UHFFFAOYSA-N,C15H33N,227.43,227.2613001,5.6,3.2,98,0,0,1,12,16,"215 °F (NTP, 1992)","464 to 473 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"N,N'-BIS(3-AMINOPROPYL)-1,3-PROPANEDIAMINE",004605-14-5,78350,"N'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine",C(CN)CNCCCNCCCN,"InChI=1S/C9H24N4/c10-4-1-6-12-8-3-9-13-7-2-5-11/h12-13H,1-11H2",ZAXCZCOUDLENMH-UHFFFAOYSA-N,C9H24N4,188.31,188.2000968,-1.4,76.1,77,0,4,4,10,13,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,4-DIISOCYANATOBUTANE",004538-37-8,350453,"1,4-diisocyanatobutane",C(CCN=C=O)CN=C=O,InChI=1S/C6H8N2O2/c9-5-7-3-1-2-4-8-6-10/h1-4H2,OVBFMUAFNIIQAL-UHFFFAOYSA-N,C6H8N2O2,140.14,140.0585775,2.5,58.9,147,0,0,4,5,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"2-CHLORO-N,N-DIMETHYLACETAMIDE",002675-89-0,75886,"2-chloro-N,N-dimethylacetamide",CN(C)C(=O)CCl,"InChI=1S/C4H8ClNO/c1-6(2)4(7)3-5/h3H2,1-2H3",XBPPLECAZBTMMK-UHFFFAOYSA-N,C4H8ClNO,121.56,121.0294416,0.3,20.3,72,0,0,1,1,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(3-DIMETHYLAMINOPROPYL)-N'-ETHYL-CARBODIIMIDE,001892-57-5,15908,"3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine",CCN=C=NCCCN(C)C,"InChI=1S/C8H17N3/c1-4-9-8-10-6-5-7-11(2)3/h4-7H2,1-3H3",LMDZBCPBFSXMTL-UHFFFAOYSA-N,C8H17N3,155.24,155.1422476,1.9,28,134,0,0,3,5,11,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,1,0,1,1,1,0
OCTYL ISOCYANATE,003158-26-7,76616,1-isocyanatooctane,CCCCCCCCN=C=O,"InChI=1S/C9H17NO/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3",DYQFCTCUULUMTQ-UHFFFAOYSA-N,C9H17NO,155.24,155.1310142,4.4,29.4,117,0,0,2,7,11,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"N,N-DIBUTYLFORMAMIDE",000761-65-9,12975,"N,N-dibutylformamide",CCCCN(CCCC)C=O,"InChI=1S/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3",NZMAJUHVSZBJHL-UHFFFAOYSA-N,C9H19NO,157.25,157.1466642,2.2,20.3,85,0,0,1,6,11,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
AMMONIUM (META) TUNGSTATE HYDRATE,012333-11-8,146681751,azane;heptadecakis(oxygen(2-));tungsten;tricosahydroxide;hydrate,N.N.N.N.N.N.O.[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W],InChI=1S/6H3N.24H2O.17O.12W/h6*1H3;24*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;17*-2;;;;;;;;;;;;/p-23,XHLRCCQFLZAYJM-UHFFFAOYSA-A,H43N6O41W12-57,2989.4,2988.55831,,47,0,-57,30,47,0,59,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
2-ISOCYANATOETHYL METHACRYLATE,030674-80-7,35409,2-isocyanatoethyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCN=C=O,"InChI=1S/C7H9NO3/c1-6(2)7(10)11-4-3-8-5-9/h1,3-4H2,2H3",RBQRWNWVPQDTJJ-UHFFFAOYSA-N,C7H9NO3,155.15,155.0582431,2.3,55.7,204,0,0,4,5,11,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
NICKEL(II) SULFAMATE TETRAHYDRATE,124594-15-6,16211747,nickel(2+);disulfamate;tetrahydrate,NS(=O)(=O)[O-].NS(=O)(=O)[O-].O.O.O.O.[Ni+2],"InChI=1S/2H3NO3S.Ni.4H2O/c2*1-5(2,3)4;;;;;/h2*(H3,1,2,3,4);;4*1H2/q;;+2;;;;/p-2",TXRHHNYLWVQULI-UHFFFAOYSA-L,H12N2NiO10S2,322.9,321.928679,,187,79,0,6,12,0,15,,,1,0,0,1,0,1,1,1,0,0,1,0,0,1,1,0,0,1,1,0
CESIUM HYDROXIDE HYDRATE,012260-45-6,23679066,cesium;hydroxide;hydrate,O.[OH-].[Cs+],InChI=1S/Cs.2H2O/h;2*1H2/q+1;;/p-1,ABSOMGPQFXJESQ-UHFFFAOYSA-M,CsH3O2,167.928,167.9187563,,2,2,0,2,2,0,3,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
COBALT(II) ACETYLACETONATE,014024-48-7,2724216,"cobalt(2+);bis(pentane-2,4-dione)",CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Co+2],"InChI=1S/2C5H7O2.Co/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2",BKFAZDGHFACXKY-UHFFFAOYSA-N,C10H14CoO4,257.15,257.022402,,68.3,196,0,0,6,0,15,,,1,1,1,1,0,0,1,1,0,0,0,0,0,1,0,0,0,1,0,0
LEAD HYDROGEN PHOSPHATE,015845-52-0,61820,hydrogen phosphate;lead(2+),OP(=O)([O-])[O-].[Pb+2],"InChI=1S/H3O4P.Pb/c1-5(2,3)4;/h(H3,1,2,3,4);/q;+2/p-2",AVVSGTOJTRSKRL-UHFFFAOYSA-L,HO4PPb,303,303.9379,,83.4,46,0,1,4,0,6,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
ETHYL ISOCYANOACETATE,002999-46-4,533707,ethyl 2-isocyanoacetate,CCOC(=O)C[N+]#[C-],"InChI=1S/C5H7NO2/c1-3-8-5(7)4-6-2/h3-4H2,1H3",FPULFENIJDPZBX-UHFFFAOYSA-N,C5H7NO2,113.11,113.0476785,0.4,30.7,122,0,0,3,3,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(S)-(+)-2-AMINO-1-BUTANOL,005856-62-2,120084,(2S)-2-aminobutan-1-ol,CC[C@@H](CO)N,"InChI=1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3/t4-/m0/s1",JCBPETKZIGVZRE-BYPYZUCNSA-N,C4H11NO,89.14,89.08406397,-0.4,46.3,30,0,2,2,2,6,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
INDIUM BROMIDE,014280-53-6,11084757,bromoindium,Br[In],InChI=1S/BrH.In/h1H;/q;+1/p-1,KLRHPHDUDFIRKB-UHFFFAOYSA-M,BrIn,194.72,193.82222,,0,2,0,0,0,0,2,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COBALT (II) PHOSPHATE HYDRATE,010294-50-5,202398,tris(cobalt(2+));diphosphate;octahydrate,O.O.O.O.O.O.O.O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Co+2].[Co+2].[Co+2],"InChI=1S/3Co.2H3O4P.8H2O/c;;;2*1-5(2,3)4;;;;;;;;/h;;;2*(H3,1,2,3,4);8*1H2/q3*+2;;;;;;;;;;/p-6",QOQSIXJUYVUEMP-UHFFFAOYSA-H,Co3H16O16P2,510.87,510.79094,,181,36,0,8,16,0,21,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,1,0,1,1,0,1
DIETHYL ETHOXYMETHYLENEMALONATE,000087-13-8,6871,diethyl 2-(ethoxymethylidene)propanedioate,CCOC=C(C(=O)OCC)C(=O)OCC,"InChI=1S/C10H16O5/c1-4-13-7-8(9(11)14-5-2)10(12)15-6-3/h7H,4-6H2,1-3H3",LTMHNWPUDSTBKD-UHFFFAOYSA-N,C10H16O5,216.23,216.0997736,1.5,61.8,224,0,0,5,8,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
2-PROPYL-VALERIC ACID,000099-66-1,3121,2-propylpentanoic acid,CCCC(CCC)C(=O)O,"InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)",NIJJYAXOARWZEE-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,2.8,37.3,93,0,1,2,5,10,"232 °F (NTP, 1992)","428 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
NONYLAMINE,000112-20-9,16215,nonan-1-amine,CCCCCCCCCN,"InChI=1S/C9H21N/c1-2-3-4-5-6-7-8-9-10/h2-10H2,1H3",FJDUDHYHRVPMJZ-UHFFFAOYSA-N,C9H21N,143.27,143.1673997,3.7,26,52,0,1,1,7,10,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"CARBONOCHLORIDIC ACID, 1,2-ETHANEDIYL ESTER",000124-05-0,31282,2-carbonochloridoyloxyethyl carbonochloridate,C(COC(=O)Cl)OC(=O)Cl,InChI=1S/C4H4Cl2O4/c5-3(7)9-1-2-10-4(6)8/h1-2H2,FMACOGSACRRIMK-UHFFFAOYSA-N,C4H4Cl2O4,186.97,185.948664,2.1,52.6,119,0,0,4,5,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
3-AMINOPROPIONITRILE,000151-18-8,1647,3-aminopropanenitrile,C(CN)C#N,"InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2",AGSPXMVUFBBBMO-UHFFFAOYSA-N,C3H6N2,70.09,70.0530982,-1,49.8,49,0,1,2,1,5,,185 °C @ 760 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0
"2,3-DIBROMO-1-PROPENE",000513-31-5,10552,"2,3-dibromoprop-1-ene",C=C(CBr)Br,InChI=1S/C3H4Br2/c1-3(5)2-4/h1-2H2,YMFWYDYJHRGGPF-UHFFFAOYSA-N,C3H4Br2,199.87,199.86593,2.1,0,40,0,0,0,1,5,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMOPROPIONYL BROMIDE,000563-76-8,79047,2-bromopropanoyl bromide,CC(C(=O)Br)Br,"InChI=1S/C3H4Br2O/c1-2(4)3(5)6/h2H,1H3",ILLHORFDXDLILE-UHFFFAOYSA-N,C3H4Br2O,215.87,215.86084,2,17.1,61,0,0,1,1,6,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
1-IODOHEXANE (STABILIZED WITH COPPER),000638-45-9,12527,1-iodohexane,CCCCCCI,"InChI=1S/C6H13I/c1-2-3-4-5-6-7/h2-6H2,1H3",ANOOTOPTCJRUPK-UHFFFAOYSA-N,C6H13I,212.07,212.0062,4.2,0,27,0,0,0,4,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-DECYL-1-DECANAMINE,001120-49-6,14261,N-decyldecan-1-amine,CCCCCCCCCCNCCCCCCCCCC,"InChI=1S/C20H43N/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h21H,3-20H2,1-2H3",GMTCPFCMAHMEMT-UHFFFAOYSA-N,C20H43N,297.6,297.3395504,8.8,12,149,0,1,1,18,21,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
2-METHYL-4-PENTENOIC ACID,001575-74-2,549519,2-methylpent-4-enoic acid,CC(CC=C)C(=O)O,"InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3,5H,1,4H2,2H3,(H,7,8)",HVRZYSHVZOELOH-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,1.4,37.3,96,0,1,2,3,8,,195.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-HYDROXYBUTYL ACRYLATE,002478-10-6,75588,4-hydroxybutyl prop-2-enoate,C=CC(=O)OCCCCO,"InChI=1S/C7H12O3/c1-2-7(9)10-6-4-3-5-8/h2,8H,1,3-6H2",NDWUBGAGUCISDV-UHFFFAOYSA-N,C7H12O3,144.17,144.0786442,1.1,46.5,109,0,1,3,6,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"METHANOL, CALCIUM SALT",002556-53-8,164985,calcium methanolate,C[O-].C[O-].[Ca+2],InChI=1S/2CH3O.Ca/c2*1-2;/h2*1H3;/q2*-1;+2,AMJQWGIYCROUQF-UHFFFAOYSA-N,C2H6CaO2,102.15,101.9993703,,46.1,2,0,0,2,0,5,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ETHYL ISOCYANATOACETATE,002949-22-6,76283,ethyl 2-isocyanatoacetate,CCOC(=O)CN=C=O,"InChI=1S/C5H7NO3/c1-2-9-5(8)3-6-4-7/h2-3H2,1H3",DUVOZUPPHBRJJO-UHFFFAOYSA-N,C5H7NO3,129.11,129.0425931,1.5,55.7,137,0,0,4,4,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"3,5,5-TRIMETHYLHEXANOIC ACID",003302-10-1,90960,"3,5,5-trimethylhexanoic acid",CC(CC(=O)O)CC(C)(C)C,"InChI=1S/C9H18O2/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3,(H,10,11)",OILUAKBAMVLXGF-UHFFFAOYSA-N,C9H18O2,158.24,158.1306798,2.8,37.3,133,0,1,2,4,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
N-(TERT-BUTOXYCARBONYL)GLYCINE,004530-20-5,78288,2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid,CC(C)(C)OC(=O)NCC(=O)O,"InChI=1S/C7H13NO4/c1-7(2,3)12-6(11)8-4-5(9)10/h4H2,1-3H3,(H,8,11)(H,9,10)",VRPJIFMKZZEXLR-UHFFFAOYSA-N,C7H13NO4,175.18,175.0844579,0.5,75.6,182,0,2,4,4,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
OCTYLPHOSPHONIC ACID,004724-48-5,78452,octylphosphonic acid,CCCCCCCCP(=O)(O)O,"InChI=1S/C8H19O3P/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3,(H2,9,10,11)",NJGCRMAPOWGWMW-UHFFFAOYSA-N,C8H19O3P,194.21,194.1071815,1.8,57.5,141,0,2,3,7,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,0
2-METHYL-2-PROPENOIC ACID SODIUM SALT,005536-61-8,3255932,sodium 2-methylprop-2-enoate,CC(=C)C(=O)[O-].[Na+],"InChI=1S/C4H6O2.Na/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);/q;+1/p-1",SONHXMAHPHADTF-UHFFFAOYSA-M,C4H5NaO2,108.07,108.0187237,,40.1,87,0,0,2,1,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SILICON TETRABROMIDE,007789-66-4,82247,tetrabromosilane,[Si](Br)(Br)(Br)Br,"InChI=1S/Br4Si/c1-5(2,3)4",AIFMYMZGQVTROK-UHFFFAOYSA-N,Br4Si,347.7,347.64618,,0,19,0,0,0,0,5,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IRON TRIBROMIDE,010031-26-2,82310,iron(3+) tribromide,[Fe+3].[Br-].[Br-].[Br-],InChI=1S/3BrH.Fe/h3*1H;/q;;;+3/p-3,FEONEKOZSGPOFN-UHFFFAOYSA-K,Br3Fe,295.56,294.6879,,0,0,0,0,3,0,4,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-CHLORO-2-HYDROXYPROPYL METHACRYLATE,013159-52-9,114470,(3-chloro-2-hydroxypropyl) 2-methylprop-2-enoate,CC(=C)C(=O)OCC(CCl)O,"InChI=1S/C7H11ClO3/c1-5(2)7(10)11-4-6(9)3-8/h6,9H,1,3-4H2,2H3",DDKMFQGAZVMXQV-UHFFFAOYSA-N,C7H11ClO3,178.61,178.0396719,1.2,46.5,156,0,1,3,5,11,,,0,0,1,1,0,1,0,1,0,0,1,0,0,1,0,0,1,1,1,1
3-AMINO-2-BUTENOIC ACID METHYL ESTER,014205-39-1,643918,methyl (Z)-3-aminobut-2-enoate,C/C(=C/C(=O)OC)/N,"InChI=1S/C5H9NO2/c1-4(6)3-5(7)8-2/h3H,6H2,1-2H3/b4-3-",XKORCTIIRYKLLG-ARJAWSKDSA-N,C5H9NO2,115.13,115.0633285,0.6,52.3,118,0,1,3,2,8,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"2-PROPENOIC ACID, ZINC SALT",014643-87-9,159747,zinc bis(prop-2-enoate),C=CC(=O)[O-].C=CC(=O)[O-].[Zn+2],"InChI=1S/2C3H4O2.Zn/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);/q;;+2/p-2",XKMZOFXGLBYJLS-UHFFFAOYSA-L,C6H6O4Zn,207.5,205.95575,,80.3,50,0,0,4,0,11,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
CHLORO(3-ISOCYANATOPROPYL)DIMETHYLSILANE,017070-70-1,86931,chloro-(3-isocyanatopropyl)-dimethylsilane,C[Si](C)(CCCN=C=O)Cl,"InChI=1S/C6H12ClNOSi/c1-10(2,7)5-3-4-8-6-9/h3-5H2,1-2H3",LQJWIXKJNVDYHH-UHFFFAOYSA-N,C6H12ClNOSi,177.7,177.0376682,,29.4,143,0,0,2,4,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0
"2-PROPENOIC ACID, OXYBIS(2,1-ETHANEDIYLOXY-2,1-ETHANEDIYL) ESTER",017831-71-9,28803,2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate,C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,"InChI=1S/C14H22O7/c1-3-13(15)20-11-9-18-7-5-17-6-8-19-10-12-21-14(16)4-2/h3-4H,1-2,5-12H2",HCLJOFJIQIJXHS-UHFFFAOYSA-N,C14H22O7,302.32,302.136553,0.7,80.3,284,0,0,7,16,21,"less than 65 °F (NTP, 1992)",,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
MANGANESE BIS(DIHYDROGEN PHOSPHATE),018718-07-5,161254,manganese(2+) diphosphate,[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Mn+2],"InChI=1S/Mn.2H3O4P/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-6",NAAXGLXYRDSIRS-UHFFFAOYSA-H,MnO8P2-4,244.88,244.844884,,173,36,-4,0,8,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0
SODIUM METASILICATE PENTAHYDRATE,010213-79-3,61495,disodium;dioxido(oxo)silane;pentahydrate,O.O.O.O.O.[O-][Si](=O)[O-].[Na+].[Na+],InChI=1S/2Na.O3Si.5H2O/c;;1-4(2)3;;;;;/h;;;5*1H2/q2*+1;-2;;;;;,ADPGKKZKGXANON-UHFFFAOYSA-N,H10Na2O8Si,212.14,211.9940324,,68.2,18,0,5,8,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Butylphosphonic Dichloride,002302-80-9,520014,1-dichlorophosphorylbutane,CCCCP(=O)(Cl)Cl,"InChI=1S/C4H9Cl2OP/c1-2-3-4-8(5,6)7/h2-4H2,1H3",YITVQRWHXAYYIX-UHFFFAOYSA-N,C4H9Cl2OP,174.99,173.9768073,2.2,17.1,98,0,0,1,3,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TRIHEXYLTETRADECYLPHOSPHONIUM DICYANAMIDE,701921-71-3,16217238,cyanoiminomethylideneazanide;trihexyl(tetradecyl)phosphanium,CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.C(=[N-])=NC#N,"InChI=1S/C32H68P.C2N3/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;3-1-5-2-4/h5-32H2,1-4H3;/q+1;-1",DOMOOBQQQGXLGU-UHFFFAOYSA-N,C34H68N3P,549.9,549.5150862,,37.2,405,0,0,3,28,38,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"LITHIUM HYDROXIDE (7LI(OH)), MONOHYDRATE",076576-68-6,23676737,lithium-7(1+);hydroxide;hydrate,[7Li+].O.[OH-],InChI=1S/Li.2H2O/h;2*1H2/q+1;;/p-1/i1+0;;,GLXDVVHUTZTUQK-GLJCYROLSA-M,H3LiO2,42.039,42.02930777,,2,2,0,2,2,0,3,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRI-TERT-BUTYLPHOSPHONIUM TETRAFLUOROBORATE,131274-22-1,2734635,tritert-butylphosphanium tetrafluoroborate,[B-](F)(F)(F)F.CC(C)(C)[PH+](C(C)(C)C)C(C)(C)C,"InChI=1S/C12H27P.BF4/c1-10(2,3)13(11(4,5)6)12(7,8)9;2-1(3,4)5/h1-9H3;/q;-1/p+1",YTJUCJAUJCXFTN-UHFFFAOYSA-O,C12H28BF4P,290.13,290.1957807,,0,147,0,0,5,3,18,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
OXALIC ACID-13C2 DIHYDRATE,286367-59-7,16213469,oxalic acid;dihydrate,[13C](=O)([13C](=O)O)O.O.O,"InChI=1S/C2H2O4.2H2O/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);2*1H2/i1+1,2+1;;",GEVPUGOOGXGPIO-BQTCFENJSA-N,C2H6O6,128.05,128.0231476,,76.6,71,0,4,6,1,8,,,0,1,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0
3-HYDROXYPROPIONIC ACID,000503-66-2,68152,3-hydroxypropanoic acid,C(CO)C(=O)O,"InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)",ALRHLSYJTWAHJZ-UHFFFAOYSA-N,C3H6O3,90.08,90.03169405,-1,57.5,50,0,2,3,2,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TUNGSTEN TETRACHLORIDE,013470-13-8,139468,tetrachlorotungsten,Cl[W](Cl)(Cl)Cl,InChI=1S/4ClH.W/h4*1H;/q;;;;+4/p-4,YOUIDGQAIILFBW-UHFFFAOYSA-J,Cl4W,325.6,325.823394,,0,19,0,0,0,0,5,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
N-(3-AMINOPROPYL)CARBAMIC ACID TERT-BUTYL ESTER,075178-96-0,2735700,tert-butyl N-(3-aminopropyl)carbamate,CC(C)(C)OC(=O)NCCCN,"InChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6,9H2,1-3H3,(H,10,11)",POHWAQLZBIMPRN-UHFFFAOYSA-N,C8H18N2O2,174.24,174.1368278,0.3,64.4,140,0,2,3,5,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
METHYL VINYL SULFONE,003680-02-2,19354,1-methylsulfonylethene,CS(=O)(=O)C=C,"InChI=1S/C3H6O2S/c1-3-6(2,4)5/h3H,1H2,2H3",WUIJTQZXUURFQU-UHFFFAOYSA-N,C3H6O2S,106.15,106.0088506,0.1,42.5,125,0,0,2,1,6,"greater than 230 °F (NTP, 1992)","252 to 255 °F at 24 mmHg (NTP, 1992)",0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM BIS(2-ETHYLHEXYL-D17) SULFOSUCCINATE,175736-89-7,71309678,"sodium 1,4-bis[1,1,2,3,3,4,4,5,5,6,6,6-dodecadeuterio-2-(1,1,2,2,2-pentadeuterioethyl)hexoxy]-1,4-dioxobutane-2-sulfonate",[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])(C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])OC(=O)CC(C(=O)OC([2H])([2H])C([2H])(C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])S(=O)(=O)[O-].[Na+],"InChI=1S/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1/i1D3,2D3,3D3,4D3,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,14D2,15D2,16D,17D;",APSBXTVYXVQYAB-MTXGETQSSA-M,C20H37NaO7S,478.8,478.4291783,,118,546,0,0,7,18,29,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TRIBUTYLTETRADECYLPHOSPHONIUM CHLORIDE,081741-28-8,9889168,tributyl(tetradecyl)phosphanium chloride,CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Cl-],"InChI=1S/C26H56P.ClH/c1-5-9-13-14-15-16-17-18-19-20-21-22-26-27(23-10-6-2,24-11-7-3)25-12-8-4;/h5-26H2,1-4H3;1H/q+1;/p-1",AKUNSPZHHSNFFX-UHFFFAOYSA-M,C26H56ClP,435.1,434.3808165,,0,252,0,0,1,22,28,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
DIMETHYL VINYLPHOSPHONATE,004645-32-3,78376,1-dimethoxyphosphorylethene,COP(=O)(C=C)OC,"InChI=1S/C4H9O3P/c1-4-8(5,6-2)7-3/h4H,1H2,2-3H3",CQCXMYUCNSJSKG-UHFFFAOYSA-N,C4H9O3P,136.09,136.0289311,0,35.5,112,0,0,3,3,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,1,1,3,3,3-HEXAFLUORO-2-PROPANOL-D2",038701-74-5,2724852,"2-deuterio-2-deuteriooxy-1,1,1,3,3,3-hexafluoropropane",[2H]C(C(F)(F)F)(C(F)(F)F)O[2H],"InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H/i1D,10D",BYEAHWXPCBROCE-AWPANEGFSA-N,C3H2F6O,170.05,170.0135372,1.7,20.2,97,0,1,7,0,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
AMINOACETONE HYDROCHLORIDE,007737-17-9,3084025,1-aminopropan-2-one;hydrochloride,CC(=O)CN.Cl,"InChI=1S/C3H7NO.ClH/c1-3(5)2-4;/h2,4H2,1H3;1H",RUCLDQBBIJKQHO-UHFFFAOYSA-N,C3H8ClNO,109.55,109.0294416,,43.1,42,0,2,2,1,6,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-BIS(TRIFLUOROMETHYL)-1,1,1,4,4,4-HEXAFLUORO-2,3-BUTANEDIOL",000918-21-8,13518,"1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diol",C(C(C(F)(F)F)(C(F)(F)F)O)(C(F)(F)F)(C(F)(F)F)O,"InChI=1S/C6H2F12O2/c7-3(8,9)1(19,4(10,11)12)2(20,5(13,14)15)6(16,17)18/h19-20H",GKDCWKGUOZVDFX-UHFFFAOYSA-N,C6H2F12O2,334.06,333.9863172,3.1,40.5,292,0,2,14,1,20,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"N,N',N""-TRIS(1-METHYLETHYL)-GUANIDINE",121948-77-4,547015,"1,2,3-tri(propan-2-yl)guanidine",CC(C)NC(=NC(C)C)NC(C)C,"InChI=1S/C10H23N3/c1-7(2)11-10(12-8(3)4)13-9(5)6/h7-9H,1-6H3,(H2,11,12,13)",ALOOBTJGUXDERE-UHFFFAOYSA-N,C10H23N3,185.31,185.1891977,1.8,36.4,148,0,2,1,5,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HYDROGEN HEXACHLOROIRIDATE(IV) HYDRATE,110802-84-1,16211483,tetrachloroiridium;hydrate;dihydrochloride,O.Cl.Cl.Cl[Ir](Cl)(Cl)Cl,InChI=1S/6ClH.Ir.H2O/h6*1H;;1H2/q;;;;;;+4;/p-4,YDVQBPXDKJKDME-UHFFFAOYSA-J,Cl6H4IrO,425,424.7993,,1,19,0,3,1,0,8,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-HYDROXYETHYL 2-BROMOISOBUTYRATE,189324-13-8,11481256,2-hydroxyethyl 2-bromo-2-methylpropanoate,CC(C)(C(=O)OCCO)Br,"InChI=1S/C6H11BrO3/c1-6(2,7)5(9)10-4-3-8/h8H,3-4H2,1-2H3",MHXMVFDLNGKBSR-UHFFFAOYSA-N,C6H11BrO3,211.05,209.98916,0.8,46.5,122,0,1,3,4,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ISOOCTYLAMINE,001321-35-3,73985,6-methylheptan-1-amine,CC(C)CCCCCN,"InChI=1S/C8H19N/c1-8(2)6-4-3-5-7-9/h8H,3-7,9H2,1-2H3",LPULCTXGGDJCTO-UHFFFAOYSA-N,C8H19N,129.24,129.1517496,2.9,26,50,0,1,1,5,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
2-(OCTYLOXY)ETHANOL,010020-43-6,82296,2-octoxyethanol,CCCCCCCCOCCO,"InChI=1S/C10H22O2/c1-2-3-4-5-6-7-9-12-10-8-11/h11H,2-10H2,1H3",ZQCIMPBZCZUDJM-UHFFFAOYSA-N,C10H22O2,174.28,174.1619799,2.9,29.5,74,0,1,2,9,12,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
METHYL(2E)-4-CHLORO-4-OXOBUT-2-ENOATE,017081-97-9,574607,methyl 4-chloro-4-oxobut-2-enoate,COC(=O)C=CC(=O)Cl,"InChI=1S/C5H5ClO3/c1-9-5(8)3-2-4(6)7/h2-3H,1H3",JHDQHPJHLHKZDL-UHFFFAOYSA-N,C5H5ClO3,148.54,147.9927217,1.4,43.4,150,0,0,3,3,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
DEA NONOATE,372965-00-9,135482068,(Z)-diethylamino-hydroxyimino-oxidoazanium;N-ethylethanamine,CCNCC.CCN(CC)/[N+](=N/O)/[O-],"InChI=1S/C4H11N3O2.C4H11N/c1-3-6(4-2)7(9)5-8;1-3-5-4-2/h8H,3-4H2,1-2H3;5H,3-4H2,1-2H3/b7-5-;",BCWUDVHLRZWMBE-YJOCEBFMSA-N,C8H22N4O2,206.29,206.174276,,76.6,111,0,2,5,5,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TERT-BUTYL (2-(2-(2-AMINOETHOXY)ETHOXY)ETHYL)CARBAMATE,153086-78-3,9881394,tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate,CC(C)(C)OC(=O)NCCOCCOCCN,"InChI=1S/C11H24N2O4/c1-11(2,3)17-10(14)13-5-7-16-9-8-15-6-4-12/h4-9,12H2,1-3H3,(H,13,14)",OCUICOFGFQENAS-UHFFFAOYSA-N,C11H24N2O4,248.32,248.1736073,-0.3,82.8,204,0,2,5,10,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(E)-ETHYL 4-CHLORO-4-OXOBUT-2-ENOATE,026367-48-6,11105675,ethyl (E)-4-chloro-4-oxobut-2-enoate,CCOC(=O)/C=C/C(=O)Cl,"InChI=1S/C6H7ClO3/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3/b4-3+",YYLWXDIGYFPUSK-ONEGZZNKSA-N,C6H7ClO3,162.57,162.0083718,1.2,43.4,162,0,0,3,4,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,1,1,0,0
"2,5,8-TRIOXA-11-AZADODECANE",051952-13-7,12621265,2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine,CNCCOCCOCCOC,"InChI=1S/C8H19NO3/c1-9-3-4-11-7-8-12-6-5-10-2/h9H,3-8H2,1-2H3",XOTTZADIXWMSNG-UHFFFAOYSA-N,C8H19NO3,177.24,177.1364935,-0.6,39.7,80,0,1,4,9,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3'-BIS(DIMETHYLAMINO)DIPROPYLAMINE",006711-48-4,81207,"N-[3-(dimethylamino)propyl]-N',N'-dimethylpropane-1,3-diamine",CN(C)CCCNCCCN(C)C,"InChI=1S/C10H25N3/c1-12(2)9-5-7-11-8-6-10-13(3)4/h11H,5-10H2,1-4H3",BXYVQNNEFZOBOZ-UHFFFAOYSA-N,C10H25N3,187.33,187.2048478,0.6,18.5,90,0,1,3,8,13,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TERT-BUTYL (5-AMINOPENTYL)CARBAMATE(NH2-C5-NH-BOC),051644-96-3,4352,tert-butyl N-(5-aminopentyl)carbamate,CC(C)(C)OC(=O)NCCCCCN,"InChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)12-8-6-4-5-7-11/h4-8,11H2,1-3H3,(H,12,13)",DPLOGSUBQDREOU-UHFFFAOYSA-N,C10H22N2O2,202.29,202.1681279,1.1,64.4,164,0,2,3,7,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"TIN (IV) CHLORIDE BIS (2,4-PENTANEDIONATE)",016919-46-3,16685263,4-[dichloro(4-oxopent-2-en-2-yloxy)stannyl]oxypent-3-en-2-one,CC(=CC(=O)C)O[Sn](OC(=CC(=O)C)C)(Cl)Cl,"InChI=1S/2C5H8O2.2ClH.Sn/c2*1-4(6)3-5(2)7;;;/h2*3,6H,1-2H3;2*1H;/q;;;;+4/p-4",DTMARTPDQMQTRX-UHFFFAOYSA-J,C10H14Cl2O4Sn,387.83,387.929117,,52.6,341,0,0,4,6,17,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,0
MANGANESE BIS(TRIFLUOROMETHANESULFONATE),055120-76-8,92004361,manganese;bis(trifluoromethanesulfonic acid),C(F)(F)(F)S(=O)(=O)O.C(F)(F)(F)S(=O)(=O)O.[Mn],"InChI=1S/2CHF3O3S.Mn/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);",PNLVFLLUCISQES-UHFFFAOYSA-N,C2H2F6MnO6S2,355.1,354.857742,,126,158,0,2,12,0,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ETHYL HYDROGEN HEPTANE-1,7-DIOATE",033018-91-6,118383,7-ethoxy-7-oxoheptanoic acid,CCOC(=O)CCCCCC(=O)O,"InChI=1S/C9H16O4/c1-2-13-9(12)7-5-3-4-6-8(10)11/h2-7H2,1H3,(H,10,11)",NQYXFXWKKYGBNL-UHFFFAOYSA-N,C9H16O4,188.22,188.104859,1.2,63.6,165,0,1,4,8,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CARBONOCHLORIDIC ACID, OXYDI-2,1-ETHANEDIYL ESTER",000106-75-2,7828,2-(2-carbonochloridoyloxyethoxy)ethyl carbonochloridate,C(COC(=O)Cl)OCCOC(=O)Cl,InChI=1S/C6H8Cl2O5/c7-5(9)12-3-1-11-2-4-13-6(8)10/h1-4H2,XFSAZBKSWGOXRH-UHFFFAOYSA-N,C6H8Cl2O5,231.03,229.9748787,2,61.8,154,0,0,5,8,13,295 °F; 146 °C (OPEN CUP),127 °C AT 5 MM HG,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORODITHIOIC ACID, O,O-BIS(1-METHYLETHYL) ESTER",000107-56-2,7876,di(propan-2-yloxy)-sulfanyl-sulfanylidene-lambda5-phosphane,CC(C)OP(=S)(OC(C)C)S,"InChI=1S/C6H15O2PS2/c1-5(2)7-9(10,11)8-6(3)4/h5-6H,1-4H3,(H,10,11)",SZXCCXFNQHQRGF-UHFFFAOYSA-N,C6H15O2PS2,214.3,214.0251091,3.3,51.6,145,0,1,4,4,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Ethanol, 2-(isopropylamino)-",000109-56-8,7994,2-(propan-2-ylamino)ethanol,CC(C)NCCO,"InChI=1S/C5H13NO/c1-5(2)6-3-4-7/h5-7H,3-4H2,1-2H3",RILLZYSZSDGYGV-UHFFFAOYSA-N,C5H13NO,103.16,103.099714,-0.1,32.3,37,0,2,2,3,7,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(BUTYLAMINO)ETHANOL,000111-75-1,8132,2-(butylamino)ethanol,CCCCNCCO,"InChI=1S/C6H15NO/c1-2-3-4-7-5-6-8/h7-8H,2-6H2,1H3",LJDSTRZHPWMDPG-UHFFFAOYSA-N,C6H15NO,117.19,117.1153641,0.4,32.3,39,0,2,2,5,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CARBAMODITHIOIC ACID, DIBUTYL, SODIUM SALT",000136-30-1,546717,"sodium N,N-dibutylcarbamodithioate",CCCCN(CCCC)C(=S)[S-].[Na+],"InChI=1S/C9H19NS2.Na/c1-3-5-7-10(9(11)12)8-6-4-2;/h3-8H2,1-2H3,(H,11,12);/q;+1/p-1",HUMLQUKVJARKRN-UHFFFAOYSA-M,C9H18NNaS2,227.4,227.0778362,,36.3,123,0,0,2,6,13,,,1,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,1,0
"CARBAMODITHIOC ACID, METHYL,-MONOPOTASSIUM SALT",000137-41-7,23690432,potassium N-methylcarbamodithioate,CNC(=S)[S-].[K+],"InChI=1S/C2H5NS2.K/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1",DQRQIQZHRCRSDB-UHFFFAOYSA-M,C2H4KNS2,145.29,144.942223,,45.1,46,0,1,2,0,6,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"4-UNDECANOL, 7-ETHYL-2-METHYL-, HYDROGEN SULFATE, SODIUM SALT",000139-88-8,23665772,sodium (7-ethyl-2-methylundecan-4-yl) sulfate,CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)[O-].[Na+],"InChI=1S/C14H30O4S.Na/c1-5-7-8-13(6-2)9-10-14(11-12(3)4)18-19(15,16)17;/h12-14H,5-11H2,1-4H3,(H,15,16,17);/q;+1/p-1",FVEFRICMTUKAML-UHFFFAOYSA-M,C14H29NaO4S,316.43,316.1684249,,74.8,312,0,0,4,11,20,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
NICKEL ACETATE,000373-02-4,9756,nickel(2+) diacetate,CC(=O)[O-].CC(=O)[O-].[Ni+2],"InChI=1S/2C2H4O2.Ni/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",AIYYMMQIMJOTBM-UHFFFAOYSA-L,C4H6NiO4,176.78,175.96195,,80.3,25,0,0,4,0,9,,16.6 °C,1,0,1,1,0,1,1,0,0,0,1,0,0,1,1,0,0,1,1,0
"1-HEPTANESULFONIC ACID, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-PENTADECAFLUORO-",000375-92-8,67820,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonic acid",C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F,"InChI=1S/C7HF15O3S/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)26(23,24)25/h(H,23,24,25)",OYGQVDSRYXATEL-UHFFFAOYSA-N,C7HF15O3S,450.12,449.9406875,4.3,62.8,639,0,1,18,6,26,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PENTANEDIOIC ACID, HEXAFLUORO-, DIETHYL ESTER",000424-40-8,9874,"diethyl 2,2,3,3,4,4-hexafluoropentanedioate",CCOC(=O)C(C(C(C(=O)OCC)(F)F)(F)F)(F)F,"InChI=1S/C9H10F6O4/c1-3-18-5(16)7(10,11)9(14,15)8(12,13)6(17)19-4-2/h3-4H2,1-2H3",MSDPXVBLFJODJO-UHFFFAOYSA-N,C9H10F6O4,296.16,296.0483278,2.6,52.6,323,0,0,10,8,19,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANOIC ACID, 3-FLUORO-",000461-56-3,10004,3-fluoropropanoic acid,C(CF)C(=O)O,"InChI=1S/C3H5FO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)",RPFXMKLCYJSYDE-UHFFFAOYSA-N,C3H5FO2,92.07,92.02735756,0.1,37.3,52,0,1,3,2,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Mannitol, 1,6-dibromo-1,6-dideoxy-, D-",000488-41-5,656655,"(2S,3S,4S,5S)-1,6-dibromohexane-2,3,4,5-tetrol",C([C@H]([C@H]([C@@H]([C@@H](CBr)O)O)O)O)Br,"InChI=1S/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2/t3-,4-,5-,6-/m1/s1",VFKZTMPDYBFSTM-KVTDHHQDSA-N,C6H12Br2O4,307.96,307.90818,-0.3,80.9,110,0,4,4,5,12,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, CHLORO-, BUTYL ESTER",000590-02-3,11530,butyl 2-chloroacetate,CCCCOC(=O)CCl,"InChI=1S/C6H11ClO2/c1-2-3-4-9-6(8)5-7/h2-5H2,1H3",YJRGMUWRPCPLNH-UHFFFAOYSA-N,C6H11ClO2,150.6,150.0447573,1.8,26.3,83,0,0,2,5,9,,183 °C,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Carbamic acid, butyl ester",000592-35-8,11596,butyl carbamate,CCCCOC(=O)N,"InChI=1S/C5H11NO2/c1-2-3-4-8-5(6)7/h2-4H2,1H3,(H2,6,7)",SKKTUOZKZKCGTB-UHFFFAOYSA-N,C5H11NO2,117.15,117.0789786,0.8,52.3,72,0,1,2,4,8,,204 °C (WITH DECOMP),0,0,0,1,0,1,0,1,0,0,1,0,0,0,0,0,0,1,0,0
"BUTANOIC ACID, 2,3-DIBROMO-, ETHYL ESTER",000609-11-0,98157,"ethyl 2,3-dibromobutanoate",CCOC(=O)C(C(C)Br)Br,"InChI=1S/C6H10Br2O2/c1-3-10-6(9)5(8)4(2)7/h4-5H,3H2,1-2H3",YPZLAXFGOUPECS-UHFFFAOYSA-N,C6H10Br2O2,273.95,273.90271,2.5,26.3,116,0,0,2,4,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANOIC ACID, 2-BROMO-3-METHYL-, ETHYL ESTER",000609-12-1,79068,ethyl 2-bromo-3-methylbutanoate,CCOC(=O)C(C(C)C)Br,"InChI=1S/C7H13BrO2/c1-4-10-7(9)6(8)5(2)3/h5-6H,4H2,1-3H3",WNFUWONOILPKNX-UHFFFAOYSA-N,C7H13BrO2,209.08,208.00989,2.6,26.3,112,0,0,2,4,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,2-ETHANEDIOL, DIFORMATE",000629-15-2,12376,2-formyloxyethyl formate,C(COC=O)OC=O,"InChI=1S/C4H6O4/c5-3-7-1-2-8-4-6/h3-4H,1-2H2",IKCQWKJZLSDDSS-UHFFFAOYSA-N,C4H6O4,118.09,118.0266087,0,52.6,60,0,0,4,5,8,"200 °F (NFPA, 2010)",,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DIBROMOACETIC ACID,000631-64-1,12433,"2,2-dibromoacetic acid",C(C(=O)O)(Br)Br,"InChI=1S/C2H2Br2O2/c3-1(4)2(5)6/h1H,(H,5,6)",SIEILFNCEFEENQ-UHFFFAOYSA-N,C2H2Br2O2,217.84,217.84011,1.5,37.3,60,0,1,2,1,6,235 °F (113 °C) (closed cup),232-234 °C (decomposition),0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANE, 1,2-DIBROMO-1,1,2,3,3,3-HEXAFLUORO-",000661-95-0,69579,"1,2-dibromo-1,1,2,3,3,3-hexafluoropropane",C(C(F)(F)F)(C(F)(F)Br)(F)Br,"InChI=1S/C3Br2F6/c4-1(6,2(5,7)8)3(9,10)11",KTULQNFKNLFOHL-UHFFFAOYSA-N,C3Br2F6,309.83,309.82504,4,0,152,0,0,6,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANOIC ACID, 3-METHYL-2-OXO-",000759-05-7,49,3-methyl-2-oxobutanoic acid,CC(C)C(=O)C(=O)O,"InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)",QHKABHOOEWYVLI-UHFFFAOYSA-N,C5H8O3,116.11,116.0473441,0.7,54.4,115,0,1,3,2,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANAMIDE, 3-MERCAPTO-",000763-35-9,69811,3-sulfanylpropanamide,C(CS)C(=O)N,"InChI=1S/C3H7NOS/c4-3(5)1-2-6/h6H,1-2H2,(H2,4,5)",JLSJEUQOXVVCPN-UHFFFAOYSA-N,C3H7NOS,105.16,105.024835,-0.6,44.1,54,0,2,2,2,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NONANOYL CHLORIDE,000764-85-2,69819,nonanoyl chloride,CCCCCCCCC(=O)Cl,"InChI=1S/C9H17ClO/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3",NTQYXUJLILNTFH-UHFFFAOYSA-N,C9H17ClO,176.68,176.0967929,4.5,17.1,102,0,0,1,7,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANEDIOIC ACID, LEAD(2+) SALT (1:1)",000814-93-7,61218,lead(2+);oxalate,C(=O)(C(=O)[O-])[O-].[Pb+2],"InChI=1S/C2H2O4.Pb/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",FCHAMWMIYDDXFS-UHFFFAOYSA-L,C2O4Pb,295,295.95631,,80.3,60,0,0,4,0,7,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"BUTANEDIOIC ACID, 2,3-DIHYDROXY- [R-(R*,R*)]-, LEAD(2+) SALT (1:1)",000815-84-9,61219,"2,3-dihydroxybutanedioate;lead(2+)",C(C(C(=O)[O-])O)(C(=O)[O-])O.[Pb+2],"InChI=1S/C4H6O6.Pb/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+2/p-2",AYPZCTCULRIASE-UHFFFAOYSA-L,C4H4O6Pb,355,355.97744,,121,123,0,2,6,1,11,,,0,0,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"2-PROPANONE, 1,3-DIBROMO-",000816-39-7,69952,"1,3-dibromopropan-2-one",C(C(=O)CBr)Br,InChI=1S/C3H4Br2O/c4-1-3(6)2-5/h1-2H2,LQQKDSXCDXHLLF-UHFFFAOYSA-N,C3H4Br2O,215.87,215.86084,1.5,17.1,46,0,0,1,2,6,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"1,2-PROPANEDIOL, 3-(DODECYLAMINO)-",000821-91-0,102496,"3-(dodecylamino)propane-1,2-diol",CCCCCCCCCCCCNCC(CO)O,"InChI=1S/C15H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-15(18)14-17/h15-18H,2-14H2,1H3",VWGWFMQZURGKKK-UHFFFAOYSA-N,C15H33NO2,259.43,259.2511293,4.1,52.5,153,0,3,3,14,18,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-HYDROXY-1,2,3-PROPANETRICARBOXYLIC ACID, COBALT(2+) SALT (2:3)",000866-81-9,13343,"tris(cobalt(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate)",C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Co+2].[Co+2].[Co+2],"InChI=1S/2C6H8O7.3Co/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6",IEXXNGVQCLMTKU-UHFFFAOYSA-H,C12H10Co3O14,555,554.80664,,281,211,0,2,14,4,29,,,0,0,0,1,0,1,1,1,0,0,1,0,0,1,1,0,0,1,1,0
"2-PROPENOIC ACID, 2-METHYL-, LEAD(2+) SALT",001068-61-7,61255,lead(2+);bis(2-methylprop-2-enoate),CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].[Pb+2],"InChI=1S/2C4H6O2.Pb/c2*1-3(2)4(5)6;/h2*1H2,2H3,(H,5,6);/q;;+2/p-2",FEAGCKGOSVNLMF-UHFFFAOYSA-L,C8H10O4Pb,377,378.03456,,80.3,78,0,0,4,0,13,,,0,0,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"PROPANENITRILE, 3-(TRICHLOROSILYL)-",001071-22-3,14061,3-trichlorosilylpropanenitrile,C(C[Si](Cl)(Cl)Cl)C#N,"InChI=1S/C3H4Cl3NSi/c4-8(5,6)3-1-2-7/h1,3H2",OLBGECWYBGXCNV-UHFFFAOYSA-N,C3H4Cl3NSi,188.51,186.917859,,23.8,109,0,0,1,1,8,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"SULFURIC ACID, MONONONYL ESTER, SODIUM SALT",001072-15-7,23677967,sodium nonyl sulfate,CCCCCCCCCOS(=O)(=O)[O-].[Na+],"InChI=1S/C9H20O4S.Na/c1-2-3-4-5-6-7-8-9-13-14(10,11)12;/h2-9H2,1H3,(H,10,11,12);/q;+1/p-1",FTWCSAMTIKSPAT-UHFFFAOYSA-M,C9H19NaO4S,246.3,246.0901745,,74.8,211,0,0,4,9,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANAMIDE, N,N-DIBUTYL-",001187-33-3,70909,"N,N-dibutylpropanamide",CCCCN(CCCC)C(=O)CC,"InChI=1S/C11H23NO/c1-4-7-9-12(10-8-5-2)11(13)6-3/h4-10H2,1-3H3",XAROAZKXMDRYAF-UHFFFAOYSA-N,C11H23NO,185.31,185.1779644,2.7,20.3,126,0,0,1,7,13,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHONIUM, TRIBUTYL-2-PROPENYL-, CHLORIDE",001530-48-9,73733,tributyl(prop-2-enyl)phosphanium chloride,CCCC[P+](CCCC)(CCCC)CC=C.[Cl-],"InChI=1S/C15H32P.ClH/c1-5-9-13-16(12-8-4,14-10-6-2)15-11-7-3;/h8H,4-7,9-15H2,1-3H3;1H/q+1;/p-1",KSMYREBPTSSZDR-UHFFFAOYSA-M,C15H32ClP,278.84,278.1930157,,0,141,0,0,1,11,17,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,0
"3-BUTEN-1-OL, ACETATE",001576-84-7,74095,but-3-enyl acetate,CC(=O)OCCC=C,"InChI=1S/C6H10O2/c1-3-4-5-8-6(2)7/h3H,1,4-5H2,2H3",IEKXSSZASGLISC-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,1.2,26.3,86,0,0,2,4,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"UNDECANOIC ACID, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-EICOSAFLUORO-",001765-48-6,67550,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanoic acid",C(C(C(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C11H2F20O2/c12-1(13)3(14,15)5(18,19)7(22,23)9(26,27)11(30,31)10(28,29)8(24,25)6(20,21)4(16,17)2(32)33/h1H,(H,32,33)",MMYNPHSPRPZSSN-UHFFFAOYSA-N,C11H2F20O2,546.1,545.9735425,6.7,37.3,751,0,1,22,10,33,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1-HEXANOL, 6-(DIMETHYLAMINO)-",001862-07-3,74623,6-(dimethylamino)hexan-1-ol,CN(C)CCCCCCO,"InChI=1S/C8H19NO/c1-9(2)7-5-3-4-6-8-10/h10H,3-8H2,1-2H3",QCXNXRUTKSIZND-UHFFFAOYSA-N,C8H19NO,145.24,145.1466642,1,23.5,64,0,1,2,6,10,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"HEXADECANE, 1-ISOCYANATO-",001943-84-6,74751,1-isocyanatohexadecane,CCCCCCCCCCCCCCCCN=C=O,"InChI=1S/C17H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19/h2-16H2,1H3",GFLXBRUGMACJLQ-UHFFFAOYSA-N,C17H33NO,267.4,267.2562147,8.7,29.4,209,0,0,2,15,19,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"PENTANOIC ACID, 5-BROMO-",002067-33-6,16368,5-bromopentanoic acid,C(CCBr)CC(=O)O,"InChI=1S/C5H9BrO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8)",WNXNUPJZWYOKMW-UHFFFAOYSA-N,C5H9BrO2,181.03,179.97859,1.4,37.3,72,0,1,2,4,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-(DIETHYLAMINO)ETHYL ESTER",002426-54-2,17050,2-(diethylamino)ethyl prop-2-enoate,CCN(CC)CCOC(=O)C=C,"InChI=1S/C9H17NO2/c1-4-9(11)12-8-7-10(5-2)6-3/h4H,1,5-8H2,2-3H3",QHVBLSNVXDSMEB-UHFFFAOYSA-N,C9H17NO2,171.24,171.1259288,1.2,29.5,141,0,0,3,7,12,195 °F (91 °C) (open cup),70 °C @ 0.67 kPa (5 mm Hg),0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
1-PENTADECANAMINE,002570-26-5,17386,pentadecan-1-amine,CCCCCCCCCCCCCCCN,"InChI=1S/C15H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-16H2,1H3",JPZYXGPCHFZBHO-UHFFFAOYSA-N,C15H33N,227.43,227.2613001,6.9,26,112,0,1,1,13,16,,"585.7 °F at 760 mmHg (EPA, 1998)",1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"N,N-DIMETHYL-1-DECANAMINE N-OXIDE",002605-79-0,62452,"N,N-dimethyldecan-1-amine oxide",CCCCCCCCCC[N+](C)(C)[O-],"InChI=1S/C12H27NO/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h4-12H2,1-3H3",ZRKZFNZPJKEWPC-UHFFFAOYSA-N,C12H27NO,201.35,201.2092645,4.2,18.1,123,0,0,1,9,14,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-PENTANESULFONIC ACID, 1,1,2,2,3,3,4,4,5,5,5-UNDECAFLUORO-",002706-91-4,75922,"1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid",C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F,"InChI=1S/C5HF11O3S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19/h(H,17,18,19)",ACEKLXZRZOWKRY-UHFFFAOYSA-N,C5HF11O3S,350.11,349.9470749,3,62.8,469,0,1,14,4,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"CARBONODITHIOIC ACID, O-(2-METHYLBUTYL) ESTER, POTASSIUM SALT",002720-75-4,23673636,potassium 2-methylbutoxymethanedithioate,CCC(C)COC(=S)[S-].[K+],"InChI=1S/C6H12OS2.K/c1-3-5(2)4-7-6(8)9;/h5H,3-4H2,1-2H3,(H,8,9);/q;+1/p-1",XAOHJHVNNAXUTN-UHFFFAOYSA-M,C6H11KOS2,202.4,201.9888388,,42.3,97,0,0,3,4,10,,,0,1,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,1,1,0
1-TRIDECANAMINE,002869-34-3,40761,tridecan-1-amine,CCCCCCCCCCCCCN,"InChI=1S/C13H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-14H2,1H3",ABVVEAHYODGCLZ-UHFFFAOYSA-N,C13H29N,199.38,199.2299999,5.8,26,91,0,1,1,11,14,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"SILANEDIOL, ETHENYLMETHYL-, DIACETATE",002944-70-9,76271,(acetyloxy-ethenyl-methylsilyl) acetate,CC(=O)O[Si](C)(C=C)OC(=O)C,"InChI=1S/C7H12O4Si/c1-5-12(4,10-6(2)8)11-7(3)9/h5H,1H2,2-4H3",IDXCKOANSQIPGX-UHFFFAOYSA-N,C7H12O4Si,188.25,188.0504854,,52.6,195,0,0,4,5,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-DODECANAMINIUM, N-ETHYL-N,N-DIMETHYL-, ETHYL SULFATE",003006-13-1,62470,dodecyl-ethyl-dimethylazanium;ethyl sulfate,CCCCCCCCCCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-],"InChI=1S/C16H36N.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17(3,4)6-2;1-2-6-7(3,4)5/h5-16H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",KQPPJWHBSYEOKV-UHFFFAOYSA-M,C18H41NO4S,367.6,367.27563,,74.8,255,0,0,4,13,24,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-TRIDECANOL, HYDROGEN SULFATE, SODIUM SALT",003026-63-9,23668353,sodium tridecyl sulfate,CCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+],"InChI=1S/C13H28O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;/h2-13H2,1H3,(H,14,15,16);/q;+1/p-1",HQCFDOOSGDZRII-UHFFFAOYSA-M,C13H27NaO4S,302.41,302.1527748,,74.8,262,0,0,4,13,19,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANE, SULFONYLBIS[TRICHLORO-",003064-70-8,62478,trichloro(trichloromethylsulfonyl)methane,C(S(=O)(=O)C(Cl)(Cl)Cl)(Cl)(Cl)Cl,"InChI=1S/C2Cl6O2S/c3-1(4,5)11(9,10)2(6,7)8",YBNLWIZAWPBUKQ-UHFFFAOYSA-N,C2Cl6O2S,300.8,299.772066,3.5,42.5,205,0,0,2,0,11,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-ETHANEDIAMINE, N-[3-(DIMETHOXYMETHYLSILYL)PROPYL]-",003069-29-2,76482,"N'-[3-[dimethoxy(methyl)silyl]propyl]ethane-1,2-diamine",CO[Si](C)(CCCNCCN)OC,"InChI=1S/C8H22N2O2Si/c1-11-13(3,12-2)8-4-6-10-7-5-9/h10H,4-9H2,1-3H3",MQWFLKHKWJMCEN-UHFFFAOYSA-N,C8H22N2O2Si,206.36,206.1450545,,56.5,121,0,2,4,8,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"DODECANAMIDE, N-[3-(DIMETHYLAMINO)PROPYL]-",003179-80-4,51392,N-[3-(dimethylamino)propyl]dodecanamide,CCCCCCCCCCCC(=O)NCCCN(C)C,"InChI=1S/C17H36N2O/c1-4-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2)3/h4-16H2,1-3H3,(H,18,20)",TWMFGCHRALXDAR-UHFFFAOYSA-N,C17H36N2O,284.5,284.2827638,5.1,32.3,217,0,1,2,14,20,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"STANNANE, DIBUTOXYDIBUTYL-",003349-36-8,16683936,dibutoxy(dibutyl)stannane,CCCCO[Sn](CCCC)(CCCC)OCCCC,"InChI=1S/2C4H9O.2C4H9.Sn/c2*1-2-3-4-5;2*1-3-4-2;/h2*2-4H2,1H3;2*1,3-4H2,2H3;/q2*-1;;;+2",RGCPMRIOBZXXBR-UHFFFAOYSA-N,C16H36O2Sn,379.2,380.173733,,18.5,166,0,0,2,14,19,,,0,1,0,1,0,0,1,1,0,0,1,0,0,1,0,0,1,1,1,1
"ETHANOL, 2-(2-PROPYNYLOXY)-",003973-18-0,77596,2-prop-2-ynoxyethanol,C#CCOCCO,"InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h1,6H,3-5H2",GHGCQQRMJCSIBQ-UHFFFAOYSA-N,C5H8O2,100.12,100.0524295,-0.5,29.5,69,0,1,2,3,7,,,0,0,1,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,1,1
"2-BUTENEDIOIC ACID (Z)-, MONOETHYL ESTER",003990-03-2,5354457,(Z)-4-ethoxy-4-oxobut-2-enoic acid,CCOC(=O)/C=C\C(=O)O,"InChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)/b4-3-",XLYMOEINVGRTEX-ARJAWSKDSA-N,C6H8O4,144.12,144.0422587,0.2,63.6,159,0,1,4,4,10,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OCTADECANOIC ACID, 2-SULFO-, 1-METHYL ESTER, SODIUM SALT",004062-78-6,517098,sodium 1-methoxy-1-oxooctadecane-2-sulfonate,CCCCCCCCCCCCCCCCC(C(=O)OC)S(=O)(=O)[O-].[Na+],"InChI=1S/C19H38O5S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19(20)24-2)25(21,22)23;/h18H,3-17H2,1-2H3,(H,21,22,23);/q;+1/p-1",SYHQWIKCJFYHDC-UHFFFAOYSA-M,C19H37NaO5S,400.6,400.2259397,,91.9,420,0,0,5,18,26,,,0,0,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"SILANE, TRICHLORO(1,2-DIBROMOETHYL)-",004170-50-7,107236,"trichloro(1,2-dibromoethyl)silane",C(C([Si](Cl)(Cl)Cl)Br)Br,"InChI=1S/C2H3Br2Cl3Si/c3-1-2(4)8(5,6)7/h2H,1H2",LHCWILZPIFWPAZ-UHFFFAOYSA-N,C2H3Br2Cl3Si,321.3,319.74159,,0,72,0,0,0,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DODECANE, 1-ISOCYANATO-",004202-38-4,77873,1-isocyanatododecane,CCCCCCCCCCCCN=C=O,"InChI=1S/C13H25NO/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15/h2-12H2,1H3",YIDSTEJLDQMWBR-UHFFFAOYSA-N,C13H25NO,211.34,211.1936144,6.6,29.4,162,0,0,2,11,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"2,4-HEPTADIENAL, (E,E)-",004313-03-5,5283321,"(2E,4E)-hepta-2,4-dienal",CC/C=C/C=C/C=O,"InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3/b4-3+,6-5+",SATICYYAWWYRAM-VNKDHWASSA-N,C7H10O,110.15,110.0731649,1.6,17.1,101,0,0,1,3,8,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"HEPTANE, 1-ISOTHIOCYANATO-",004426-83-9,78152,1-isothiocyanatoheptane,CCCCCCCN=C=S,"InChI=1S/C8H15NS/c1-2-3-4-5-6-7-9-8-10/h2-7H2,1H3",LIPUQNPCPLDDBO-UHFFFAOYSA-N,C8H15NS,157.28,157.0925207,4.5,44.5,106,0,0,2,6,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPANOL, 1-CHLORO-3-(2-PROPENYLOXY)-",004638-03-3,95402,1-chloro-3-prop-2-enoxypropan-2-ol,C=CCOCC(CCl)O,"InChI=1S/C6H11ClO2/c1-2-3-9-5-6(8)4-7/h2,6,8H,1,3-5H2",DLVRPVNJFWEIFV-UHFFFAOYSA-N,C6H11ClO2,150.6,150.0447573,0.7,29.5,75,0,1,2,5,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PROPANOL, 3-(DICHLOROMETHYLSILYL)-, ACETATE",005290-24-4,79171,3-[dichloro(methyl)silyl]propyl acetate,CC(=O)OCCC[Si](C)(Cl)Cl,"InChI=1S/C6H12Cl2O2Si/c1-6(9)10-4-3-5-11(2,7)8/h3-5H2,1-2H3",CNWZDXMFPRCFFL-UHFFFAOYSA-N,C6H12Cl2O2Si,215.15,213.9983615,,26.3,139,0,0,2,5,11,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1
"FORMAMIDE, N-[3-(DIMETHYLAMINO)PROPYL]-",005922-69-0,80020,N-[3-(dimethylamino)propyl]formamide,CN(C)CCCNC=O,"InChI=1S/C6H14N2O/c1-8(2)5-3-4-7-6-9/h6H,3-5H2,1-2H3,(H,7,9)",WFBDWTZOYPUBQZ-UHFFFAOYSA-N,C6H14N2O,130.19,130.1106131,-0.1,32.3,73,0,1,2,4,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"DISTANNOXANE, 1,3-BIS(ACETYLOXY)-1,1,3,3-TETRABUTYL-",005967-09-9,16682981,[[acetyloxy(dibutyl)stannyl]oxy-dibutylstannyl] acetate,CCCC[Sn](CCCC)(OC(=O)C)O[Sn](CCCC)(CCCC)OC(=O)C,"InChI=1S/4C4H9.2C2H4O2.O.2Sn/c4*1-3-4-2;2*1-2(3)4;;;/h4*1,3-4H2,2H3;2*1H3,(H,3,4);;;/q;;;;;;;2*+1/p-2",JLHADLTXDDGZFX-UHFFFAOYSA-L,C20H42O5Sn2,600,600.10703,,61.8,375,0,0,5,18,27,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANOIC ACID, 2-HYDROXY-, ZINC SALT (1:1), (S)-",006155-68-6,3007856,zinc bis(2-hydroxypropanoate),CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Zn+2],"InChI=1S/2C3H6O3.Zn/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2",CANRESZKMUPMAE-UHFFFAOYSA-L,C6H10O6Zn,243.5,241.97688,,121,53,0,2,6,0,13,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-(2-ETHOXYETHOXY)ETHYL ESTER",007328-17-8,81766,2-(2-ethoxyethoxy)ethyl prop-2-enoate,CCOCCOCCOC(=O)C=C,"InChI=1S/C9H16O4/c1-3-9(10)13-8-7-12-6-5-11-4-2/h3H,1,4-8H2,2H3",FTALTLPZDVFJSS-UHFFFAOYSA-N,C9H16O4,188.22,188.104859,0.8,44.8,145,0,0,4,9,13,,203 °F,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"1-DECANAMINE, N-DECYL-N-METHYL-",007396-58-9,81880,N-decyl-N-methyldecan-1-amine,CCCCCCCCCCN(C)CCCCCCCCCC,"InChI=1S/C21H45N/c1-4-6-8-10-12-14-16-18-20-22(3)21-19-17-15-13-11-9-7-5-2/h4-21H2,1-3H3",ATBNMWWDBWBAHM-UHFFFAOYSA-N,C21H45N,311.6,311.3552004,9.3,3.2,170,0,0,1,18,22,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, [(AMINOIMINOMETHYL)THIO]-",007404-50-4,81899,2-carbamimidoylsulfanylacetic acid,C(C(=O)O)SC(=N)N,"InChI=1S/C3H6N2O2S/c4-3(5)8-1-2(6)7/h1H2,(H3,4,5)(H,6,7)",BWUNQEXPLIAUOU-UHFFFAOYSA-N,C3H6N2O2S,134.16,134.0149986,-0.2,112,114,0,3,4,3,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"STANNANE, TETRAIODO-",007790-47-8,24631,tetraiodostannane,[Sn](I)(I)(I)I,InChI=1S/4HI.Sn/h4*1H;/q;;;;+4/p-4,QPBYLOWPSRZOFX-UHFFFAOYSA-J,I4Sn,626.33,627.5201,,0,19,0,0,0,0,5,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0,1,1,0,0
MANGANESE HYPOPHOSPHITE,010043-84-2,61459,,[O-]P=O.[O-]P=O.[Mn+2],"InChI=1S/Mn.2HO2P/c;2*1-3-2/h;2*(H,1,2)/q+2;;/p-2",FLFJVPPJGJSHMF-UHFFFAOYSA-L,MnO4P2,180.883,180.865226,,80.3,7,0,0,4,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0
LEAD VANADIUM OXIDE (PBV2O6),010099-79-3,61471,lead(2+);bis(oxido(dioxo)vanadium),[O-][V](=O)=O.[O-][V](=O)=O.[Pb+2],InChI=1S/6O.Pb.2V/q;;;;2*-1;+2;;,OGRLITDAVSILTM-UHFFFAOYSA-N,O6PbV2,405,405.83406,,114,36,0,0,6,0,9,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"SULFURIC ACID, AMMONIUM IRON(3+) SALT (2:1:1)",010138-04-2,61485,azanium;iron(3+);disulfate,[NH4+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Fe+3],"InChI=1S/Fe.H3N.2H2O4S/c;;2*1-5(2,3)4/h;1H3;2*(H2,1,2,3,4)/q+3;;;/p-3",XGGLLRJQCZROSE-UHFFFAOYSA-K,FeH4NO8S2,266,265.872769,,178,62,0,1,8,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHOSPHOROUS ACID,010294-56-1,107909,phosphorous acid,OP(O)O,InChI=1S/H3O3P/c1-4(2)3/h1-3H,OJMIONKXNSYLSR-UHFFFAOYSA-N,H3O3P,81.996,81.98198095,-1.5,60.7,8,0,3,3,0,4,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1-PROPENE, 1,1,2,3-TETRACHLORO-",010436-39-2,25281,"1,1,2,3-tetrachloroprop-1-ene",C(C(=C(Cl)Cl)Cl)Cl,InChI=1S/C3H2Cl4/c4-1-2(5)3(6)7/h1H2,UMGQVBVEWTXECF-UHFFFAOYSA-N,C3H2Cl4,179.9,179.888111,3,0,80,0,0,0,1,7,,,1,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"9-OCTADECEN-1-AMINIUM, N,N,N-TRIMETHYL-, CHLORIDE, (Z)-",010450-69-8,6436370,trimethyl-[(Z)-octadec-9-enyl]azanium chloride,CCCCCCCC/C=C\CCCCCCCC[N+](C)(C)C.[Cl-],"InChI=1S/C21H44N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h12-13H,5-11,14-21H2,1-4H3;1H/q+1;/p-1/b13-12-;",HVLUSYMLLVVXGI-USGGBSEESA-M,C21H44ClN,346,345.3162281,,0,237,0,0,1,16,23,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-PROPANEDIAMINE, N,N'-1,2-ETHANEDIYLBIS-",010563-26-5,25378,"N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine",C(CN)CNCCNCCCN,"InChI=1S/C8H22N4/c9-3-1-5-11-7-8-12-6-2-4-10/h11-12H,1-10H2",RXFCIXRFAJRBSG-UHFFFAOYSA-N,C8H22N4,174.29,174.1844467,-1.8,76.1,67,0,4,4,9,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
LEAD TANTALUM OXIDE (PBTA2O6),012065-68-8,16685095,(dioxotantaliooxy-lambda2-plumbanyl)oxy-dioxotantalum,O=[Ta](=O)O[Pb]O[Ta](=O)=O,InChI=1S/6O.Pb.2Ta,KNSIKTVGKTWOGA-UHFFFAOYSA-N,O6PbTa2,665,665.84214,,86.7,150,0,0,6,2,9,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"CADMIUM ZINC SULFIDE ((CD,ZN)S)",012442-27-2,19733971,zinc;cadmium(2+);sulfide,[S-2].[Zn+2].[Cd+2],InChI=1S/Cd.S.Zn/q+2;-2;+2,SWNQWWDIBQLFNK-UHFFFAOYSA-N,CdSZn+2,209.9,209.804578,,1,0,2,0,1,0,3,,,0,0,0,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"LEAD, BIS(OCTADECANOATO)DIOXOTRI-",012578-12-0,20849331,bis[(octadecyl-lambda2-plumbanyl)oxy]lead,CCCCCCCCCCCCCCCCCC[Pb]O[Pb]O[Pb]CCCCCCCCCCCCCCCCCC,"InChI=1S/2C18H37.2O.3Pb/c2*1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;;;;;/h2*1,3-18H2,2H3;;;;;",VDBIDHFJMXOQTB-UHFFFAOYSA-N,C36H74O2Pb3,1160,1160.49665,,18.5,401,0,0,2,38,41,,,0,0,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
NICKEL CARBONATE HYDROXIDE,012607-70-4,13090915,tris(nickel(2+));carbonate;tetrahydroxide,C(=O)([O-])[O-].[OH-].[OH-].[OH-].[OH-].[Ni+2].[Ni+2].[Ni+2],"InChI=1S/CH2O3.3Ni.4H2O/c2-1(3)4;;;;;;;/h(H2,2,3,4);;;;4*1H2/q;3*+2;;;;/p-6",ATYNVYNPWGEMMI-UHFFFAOYSA-H,CH4Ni3O7,304.12,303.797171,,67.2,18,0,4,7,0,11,,,1,0,1,1,0,1,1,0,0,0,1,0,0,1,1,0,1,1,1,0
"LEAD TITANIUM ZIRCONIUM OXIDE (PB(TI,ZR)O3)",012626-81-2,159452,lead(2+);pentakis(oxygen(2-));titanium(4+);zirconium(4+),[O-2].[O-2].[O-2].[O-2].[O-2].[Ti+4].[Zr+4].[Pb+2],InChI=1S/5O.Pb.Ti.Zr/q5*-2;+2;2*+4,HFGPZNIAWCZYJU-UHFFFAOYSA-N,O5PbTiZr,426,425.80386,,5,0,0,0,5,0,8,,,1,0,1,1,0,1,1,1,0,0,0,0,0,1,0,0,1,0,1,0
"OCTADECANAMIDE, N-[3-(DIMETHYLAMINO)PROPYL]-, MONOACETATE",013282-70-7,83300,acetic acid;N-[3-(dimethylamino)propyl]octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C.CC(=O)O,"InChI=1S/C23H48N2O.C2H4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3;1-2(3)4/h4-22H2,1-3H3,(H,24,26);1H3,(H,3,4)",PKRDZHPWYDJXPO-UHFFFAOYSA-N,C25H52N2O3,428.7,428.3977935,,69.6,323,0,2,4,20,30,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
MOLYBDENUM CHLORIDE (MOCL4),013320-71-3,83340,tetrachloromolybdenum,Cl[Mo](Cl)(Cl)Cl,InChI=1S/4ClH.Mo/h4*1H;/q;;;;+4/p-4,OYMJNIHGVDEDFX-UHFFFAOYSA-J,Cl4Mo,237.8,239.777864,,0,19,0,0,0,0,5,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"STANNANE, BUTYLCHLORODIHYDROXY-",013355-96-9,83368,butyl(chloro)tin;dihydrate,CCCC[Sn]Cl.O.O,"InChI=1S/C4H9.ClH.2H2O.Sn/c1-3-4-2;;;;/h1,3-4H2,2H3;1H;2*1H2;/q;;;;+1/p-1",YWFUVTMPYOLBDB-UHFFFAOYSA-M,C4H13ClO2Sn,247.31,247.96261,,2,30,0,2,2,2,8,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"SULFAMOYL CHLORIDE, DIMETHYL-",013360-57-1,83372,"N,N-dimethylsulfamoyl chloride",CN(C)S(=O)(=O)Cl,"InChI=1S/C2H6ClNO2S/c1-4(2)7(3,5)6/h1-2H3",JFCHSQDLLFJHOA-UHFFFAOYSA-N,C2H6ClNO2S,143.59,142.9807773,0.3,45.8,132,0,0,3,1,7,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PERIODIC ACID (HIO4),013444-71-8,65185,periodic acid,OI(=O)(=O)=O,"InChI=1S/HIO4/c2-1(3,4)5/h(H,2,3,4,5)",KHIWWQKSHDUIBK-UHFFFAOYSA-N,HIO4,191.91,191.89196,-1.3,71.4,114,0,1,4,0,5,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-PROPANEDIAMINE, N-(2-AMINOETHYL)-",013531-52-7,26091,"N'-(2-aminoethyl)propane-1,3-diamine",C(CN)CNCCN,"InChI=1S/C5H15N3/c6-2-1-4-8-5-3-7/h8H,1-7H2",DTSDBGVDESRKKD-UHFFFAOYSA-N,C5H15N3,117.19,117.1265975,-1.7,64.1,38,0,3,3,5,8,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"2-PROPENOIC ACID, 2-(2-HYDROXYETHOXY)ETHYL ESTER",013533-05-6,61642,2-(2-hydroxyethoxy)ethyl prop-2-enoate,C=CC(=O)OCCOCCO,"InChI=1S/C7H12O4/c1-2-7(9)11-6-5-10-4-3-8/h2,8H,1,3-6H2",RWXMAAYKJDQVTF-UHFFFAOYSA-N,C7H12O4,160.17,160.0735589,-0.4,55.8,122,0,1,4,7,11,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"CHROMIC ACID (H2CRO4), COPPER(2+) SALT (1:1)",013548-42-0,61646,copper dioxido(dioxo)chromium,[O-][Cr](=O)(=O)[O-].[Cu+2],InChI=1S/Cr.Cu.4O/q;+2;;;2*-1,PWGQHOJABIQOOS-UHFFFAOYSA-N,CrCuO4,179.54,178.84976,,80.3,62,0,0,4,0,6,,,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1-DODECANAMINIUM, N,N,N-TRIMETHYL-, METHYL SULFATE",013623-06-8,83621,dodecyl(trimethyl)azanium;methyl sulfate,CCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-],"InChI=1S/C15H34N.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;1-5-6(2,3)4/h5-15H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",ODGXMRVMAFAHQH-UHFFFAOYSA-M,C16H37NO4S,339.5,339.2443298,,74.8,226,0,0,4,11,22,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"3,9-UNDECADIEN-2-ONE, 6,10-DIMETHYL-",013835-41-1,6438023,"(3E)-6,10-dimethylundeca-3,9-dien-2-one",CC(CCC=C(C)C)C/C=C/C(=O)C,"InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,10,12H,5,8-9H2,1-4H3/b10-6+",SLMWIBBJFMTGLJ-UXBLZVDNSA-N,C13H22O,194.31,194.1670653,4,17.1,219,0,0,1,6,14,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"PERIODIC ACID (H5IO6), TRISODIUM SALT",013940-38-0,9796123,trisodium;dihydroxy-trioxido-oxo-lambda7-iodane,OI(=O)(O)([O-])([O-])[O-].[Na+].[Na+].[Na+],"InChI=1S/H5IO6.3Na/c2-1(3,4,5,6)7;;;/h(H5,2,3,4,5,6,7);;;/q;3*+1/p-3",DSYMXPNUZLZKOA-UHFFFAOYSA-K,H2INa3O6,293.89,293.85892,,127,122,0,2,6,0,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
COBALTOUS SULFAMATE,014017-41-5,26398,cobalt(2+) disulfamate,NS(=O)(=O)[O-].NS(=O)(=O)[O-].[Co+2],"InChI=1S/Co.2H3NO3S/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2",WLQXLCXXAPYDIU-UHFFFAOYSA-L,CoH4N2O6S2,251.11,250.884272,,183,79,0,2,8,0,11,,,1,0,0,1,0,1,1,1,0,0,1,0,0,1,1,0,1,1,0,1
"ETHANOL, 2-BUTOXY-, DIHYDROGEN PHOSPHATE",014260-98-1,62009,2-butoxyethyl dihydrogen phosphate,CCCCOCCOP(=O)(O)O,"InChI=1S/C6H15O5P/c1-2-3-4-10-5-6-11-12(7,8)9/h2-6H2,1H3,(H2,7,8,9)",TVAJJUOMNRUGQA-UHFFFAOYSA-N,C6H15O5P,198.15,198.0657106,-0.5,76,143,0,2,5,7,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"9-OCTADECEN-1-AMINE, N,N-DIMETHYL-, N-OXIDE, (Z)-",014351-50-9,6435847,"(Z)-N,N-dimethyloctadec-9-en-1-amine oxide",CCCCCCCC/C=C\CCCCCCCC[N+](C)(C)[O-],"InChI=1S/C20H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)22/h11-12H,4-10,13-20H2,1-3H3/b12-11-",QCTZUSWOKFCWNB-QXMHVHEDSA-N,C20H41NO,311.5,311.3188149,7.6,18.1,248,0,0,1,16,22,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ZINC AMMONIUM CHLORIDE [CAS NO. 014639-98-6],014639-98-6,11493111,triazanium;zinc;pentachloride,[NH4+].[NH4+].[NH4+].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2],InChI=1S/5ClH.3H3N.Zn/h5*1H;3*1H3;/q;;;;;;;;+2/p-2,IYBCULKOHOEVED-UHFFFAOYSA-L,Cl5H12N3Zn,296.8,294.873578,,3,0,0,3,5,0,9,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1
"DIPHOSPHORIC ACID, TRISODIUM SALT",014691-80-6,161081,trisodium;[hydroxy(oxido)phosphoryl] phosphate,OP(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+],"InChI=1S/3Na.H4O7P2/c;;;1-8(2,3)7-9(4,5)6/h;;;(H2,1,2,3)(H2,4,5,6)/q3*+1;/p-3",MLIKYFGFHUYZAL-UHFFFAOYSA-K,HNa3O7P2,243.92,243.8890592,,133,154,0,1,7,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANOIC ACID, 4-CHLORO-4-OXO-, ETHYL ESTER",014794-31-1,84648,ethyl 4-chloro-4-oxobutanoate,CCOC(=O)CCC(=O)Cl,"InChI=1S/C6H9ClO3/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3",IXZFDJXHLQQSGQ-UHFFFAOYSA-N,C6H9ClO3,164.59,164.0240218,1.5,43.4,133,0,0,3,5,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
COBALT COMPLEX,014931-83-0,84702,2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;cobalt(2+),C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Co+2],"InChI=1S/C10H16N2O8.Co/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);/q;+2/p-4",TWJZAIVFYJWAJC-UHFFFAOYSA-J,C10H12CoN2O8-2,347.14,346.992559,,167,293,-2,0,10,7,21,,,1,0,0,1,0,0,1,0,0,0,1,0,0,1,1,0,0,1,0,0
"AURATE(1-), TETRACHLORO-, SODIUM, (SP-4-1)-",015189-51-2,27127,sodium tetrachlorogold(1-),[Na+].Cl[Au-](Cl)(Cl)Cl,InChI=1S/Au.4ClH.Na/h;4*1H;/q+3;;;;;+1/p-4,IXPWAPCEBHEFOV-UHFFFAOYSA-J,AuCl4Na,361.8,361.8288,,0,19,0,0,1,0,6,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"NITRIC ACID, AMMONIUM CALCIUM SALT",015245-12-2,3080697,azanium;calcium;nitrate,[NH4+].[N+](=O)([O-])[O-].[Ca+2],InChI=1S/Ca.NO3.H3N/c;2-1(3)4;/h;;1H3/q+2;-1;/p+1,ODWUWCGCBFIGKX-UHFFFAOYSA-O,CaH4N2O3+2,120.12,119.9847828,,63.9,18,2,1,3,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHONIC ACID, SODIUM SALT",015475-67-9,159759,sodium phosphorous acid,OP(O)O.[Na+],InChI=1S/Na.H3O3P/c;1-4(2)3/h;1-3H/q+1;,OPVVJRSLPIWLLG-UHFFFAOYSA-N,H3NaO3P+,104.986,104.9717502,,60.7,8,1,3,3,0,5,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"OCTANOIC ACID, LEAD SALT",015696-43-2,61811,lead(2+);octanoate,CCCCCCCC(=O)[O-].[Pb+2],"InChI=1S/C8H16O2.Pb/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+2/p-1",DSSXKBBEJCDMBT-UHFFFAOYSA-M,C8H15O2Pb+,350,351.08386,,40.1,83,1,0,2,5,11,,,0,0,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"HEXANOIC ACID, 2-ETHYL-, MANGANESE SALT",015956-58-8,87124287,2-ethylhexanoic acid;manganese,CCCCC(CC)C(=O)O.[Mn],"InChI=1S/C8H16O2.Mn/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);",LUIOCLKGJHSWRZ-UHFFFAOYSA-N,C8H16MnO2,199.15,199.053073,,37.3,99,0,1,2,5,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,1,1,1
"CARBAMIMIDOTHIOIC ACID, 2-(DIMETHYLAMINO)ETHYL ESTER, DIHYDROCHLORIDE",016111-27-6,85295,2-(dimethylamino)ethyl carbamimidothioate;dihydrochloride,CN(C)CCSC(=N)N.Cl.Cl,"InChI=1S/C5H13N3S.2ClH/c1-8(2)3-4-9-5(6)7;;/h3-4H2,1-2H3,(H3,6,7);2*1H",FXBRVWUWVBAZKC-UHFFFAOYSA-N,C5H15Cl2N3S,220.16,219.0363741,,78.4,92,0,4,3,4,11,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"2-PROPANOL, 1-BUTOXY-3-CHLORO-",016224-33-2,27759,1-butoxy-3-chloropropan-2-ol,CCCCOCC(CCl)O,"InChI=1S/C7H15ClO2/c1-2-3-4-10-6-7(9)5-8/h7,9H,2-6H2,1H3",IZHGMMBZJWHGND-UHFFFAOYSA-N,C7H15ClO2,166.64,166.0760574,1.3,29.5,68,0,1,2,6,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"ETHANOL, 2-(PROPYLAMINO)-",016369-21-4,85382,2-(propylamino)ethanol,CCCNCCO,"InChI=1S/C5H13NO/c1-2-3-6-4-5-7/h6-7H,2-5H2,1H3",BCLSJHWBDUYDTR-UHFFFAOYSA-N,C5H13NO,103.16,103.099714,0,32.3,31,0,2,2,4,7,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANAL, 3-(METHYLTHIO)-",016630-52-7,61845,3-methylsulfanylbutanal,CC(CC=O)SC,"InChI=1S/C5H10OS/c1-5(7-2)3-4-6/h4-5H,3H2,1-2H3",NCBDFIPMWRKPDU-UHFFFAOYSA-N,C5H10OS,118.2,118.0452361,0.7,42.4,54,0,0,2,3,7,,63.00 to 65.00 °C. @ 10.00 mm Hg,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"9,12-OCTADECADIENOIC ACID (Z,Z)-, LEAD SALT",016996-51-3,6435856,"lead(2+);(9Z,12Z)-octadeca-9,12-dienoic acid",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.[Pb+2],"InChI=1S/C18H32O2.Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;+2/b7-6-,10-9-;",CKBGFVUADMYSBT-NBTZWHCOSA-N,C18H32O2Pb+2,487,488.21688,,37.3,267,2,1,2,14,21,,,0,0,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"ACETIC ACID, ISOCYANATO-, BUTYL ESTER",017046-22-9,86921,butyl 2-isocyanatoacetate,CCCCOC(=O)CN=C=O,"InChI=1S/C7H11NO3/c1-2-3-4-11-7(10)5-8-6-9/h2-5H2,1H3",RMZSOGJUEUFCBK-UHFFFAOYSA-N,C7H11NO3,157.17,157.0738932,2.3,55.7,161,0,0,4,6,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"2,4-HEXADIEN-1-OL, (E,E)-",017102-64-6,641256,"(2E,4E)-hexa-2,4-dien-1-ol",C/C=C/C=C/CO,"InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-5,7H,6H2,1H3/b3-2+,5-4+",MEIRRNXMZYDVDW-MQQKCMAXSA-N,C6H10O,98.14,98.07316494,1.1,20.2,72,0,1,1,2,7,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OCTANOIC ACID, COMPD. WITH 1-OCTANAMINE (1:1)",017463-34-2,161224,octan-1-amine;octanoic acid,CCCCCCCCN.CCCCCCCC(=O)O,"InChI=1S/C8H19N.C8H16O2/c1-2-3-4-5-6-7-8-9;1-2-3-4-5-6-7-8(9)10/h2-9H2,1H3;2-7H2,1H3,(H,9,10)",LQNPIBHEOATAEO-UHFFFAOYSA-N,C16H35NO2,273.45,273.2667794,,63.3,133,0,2,3,12,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"SILANETRIOL, PROPYL-, TRIACETATE",017865-07-5,87339,[diacetyloxy(propyl)silyl] acetate,CCC[Si](OC(=O)C)(OC(=O)C)OC(=O)C,"InChI=1S/C9H16O6Si/c1-5-6-16(13-7(2)10,14-8(3)11)15-9(4)12/h5-6H2,1-4H3",DKGZKEKMWBGTIB-UHFFFAOYSA-N,C9H16O6Si,248.3,248.0716148,,78.9,247,0,0,6,8,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9-OCTADECEN-1-AMINIUM, N,N-BIS(2-HYDROXYETHYL)-N-METHYL-, CHLORIDE,(Z)-",018448-65-2,6436489,bis(2-hydroxyethyl)-methyl-[(Z)-octadec-9-enyl]azanium chloride,CCCCCCCC/C=C\CCCCCCCC[N+](C)(CCO)CCO.[Cl-],"InChI=1S/C23H48NO2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(2,20-22-25)21-23-26;/h10-11,25-26H,3-9,12-23H2,1-2H3;1H/q+1;/p-1/b11-10-;",RBRXPPLNXDVMKG-GMFCBQQYSA-M,C23H48ClNO2,406.1,405.3373575,,40.5,299,0,2,3,20,27,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-OCTADECANAMINIUM, N,N,N-TRIMETHYL-, METHYL SULFATE",018684-11-2,87750,methyl sulfate;trimethyl(octadecyl)azanium,CCCCCCCCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-],"InChI=1S/C21H46N.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;1-5-6(2,3)4/h5-21H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",WYTNTFGZBBTWNR-UHFFFAOYSA-M,C22H49NO4S,423.7,423.3382302,,74.8,295,0,0,4,17,28,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-BUTANAMINE, 4,4-DIMETHOXY-",019060-15-2,5463803,"4,4-dimethoxybutan-1-amine",COC(CCCN)OC,"InChI=1S/C6H15NO2/c1-8-6(9-2)4-3-5-7/h6H,3-5,7H2,1-2H3",TYVAXMOICMBSMT-UHFFFAOYSA-N,C6H15NO2,133.19,133.1102787,-0.1,44.5,55,0,1,3,5,9,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"1-PROPANAMINIUM, N,N,N-TRIMETHYL-3-[(1-OXOOCTADECYL)AMINO]-, METHYLSULFATE",019277-88-4,87995,methyl sulfate;trimethyl-[3-(octadecanoylamino)propyl]azanium,CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C.COS(=O)(=O)[O-],"InChI=1S/C24H50N2O.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(27)25-22-20-23-26(2,3)4;1-5-6(2,3)4/h5-23H2,1-4H3;1H3,(H,2,3,4)",YWOAEHAIHZVTFA-UHFFFAOYSA-N,C25H54N2O5S,494.8,494.375344,,104,414,0,1,5,20,33,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
2-ETHYLHEXANOIC ACID IRON SALT,019583-54-1,109216,2-ethylhexanoic acid;methane,C.C.CCCCC(CC)C(=O)O,"InChI=1S/C8H16O2.2CH4/c1-3-5-6-7(4-2)8(9)10;;/h7H,3-6H2,1-2H3,(H,9,10);2*1H4",IMVGFDIQASHWEF-UHFFFAOYSA-N,C10H24O2,176.3,176.17763,,37.3,99,0,1,2,5,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"TETRADECANOIC ACID, LEAD SALT",020403-41-2,5463926,,CCCCCCCCCCCCCC(=O)[O-].[Pb],"InChI=1S/C14H28O2.Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);/p-1",XGKFXFYGFVPPFC-UHFFFAOYSA-M,C14H27O2Pb-,434,435.17776,,40.1,149,-1,0,2,11,17,,,0,0,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"1-PROPANESULFONIC ACID, 3-[(AMINOIMINOMETHYL)THIO]-",021668-81-5,89008,3-carbamimidoylsulfanylpropane-1-sulfonic acid,C(CSC(=N)N)CS(=O)(=O)O,"InChI=1S/C4H10N2O3S2/c5-4(6)10-2-1-3-11(7,8)9/h1-3H2,(H3,5,6)(H,7,8,9)",MQLJIOAPXLAGAP-UHFFFAOYSA-N,C4H10N2O3S2,198.3,198.0132845,-0.6,138,218,0,3,5,5,11,,,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"2-ETHYLHEXANOIC ACID, COPPER SALT",022221-10-9,62756,copper(1+);2-ethylhexanoate,CCCCC(CC)C(=O)[O-].[Cu+],"InChI=1S/C8H16O2.Cu/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1",WRTFVVOZYCEDQD-UHFFFAOYSA-M,C8H15CuO2,206.75,206.036802,,40.1,93,0,0,2,4,11,,,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
"2-BUTANONE, 1,1-DICHLORO-3,3-DIMETHYL-",022591-21-5,31432,"1,1-dichloro-3,3-dimethylbutan-2-one",CC(C)(C)C(=O)C(Cl)Cl,"InChI=1S/C6H10Cl2O/c1-6(2,3)4(9)5(7)8/h5H,1-3H3",UDWZXMQIEHAAQT-UHFFFAOYSA-N,C6H10Cl2O,169.05,168.0108703,2.7,17.1,113,0,0,1,2,9,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, HYDROXYPHOSPHONO-",023783-26-8,73189,2-hydroxy-2-phosphonoacetic acid,C(C(=O)O)(O)P(=O)(O)O,"InChI=1S/C2H5O6P/c3-1(4)2(5)9(6,7)8/h2,5H,(H,3,4)(H2,6,7,8)",UTCHNZLBVKHYKC-UHFFFAOYSA-N,C2H5O6P,156.03,155.9823749,-2.6,115,156,0,4,6,2,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,0
"DECANE, 1-ISOTHIOCYANATO-",024540-94-1,90535,1-isothiocyanatodecane,CCCCCCCCCCN=C=S,"InChI=1S/C11H21NS/c1-2-3-4-5-6-7-8-9-10-12-11-13/h2-10H2,1H3",HFWWGJSMDPUEFD-UHFFFAOYSA-N,C11H21NS,199.36,199.1394709,6.1,44.5,139,0,0,2,9,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-9-OCTADECENYL-.OMEGA.-HYDROXY-",025190-05-0,5367702,2-[(E)-octadec-9-enoxy]ethanol,CCCCCCCC/C=C/CCCCCCCCOCCO,"InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h9-10,21H,2-8,11-20H2,1H3/b10-9+",KWVPFECTOKLOBL-MDZDMXLPSA-N,C20H40O2,312.5,312.3028305,7.3,29.5,214,0,1,2,18,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"C,C,C-TRIMETHYL-1,6-HEXANEDIAMINE",025620-58-0,3033875,"5,6-dimethylheptane-1,6-diamine",CC(CCCCN)C(C)(C)N,"InChI=1S/C9H22N2/c1-8(9(2,3)11)6-4-5-7-10/h8H,4-7,10-11H2,1-3H3",HUXPKQXHDPXCMM-UHFFFAOYSA-N,C9H22N2,158.28,158.1782987,0.8,52,99,0,2,2,5,11,"261 °F (USCG, 1999)","449.6 °F at 760 mmHg (USCG, 1999)",0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"9,12-OCTADECADIEN-1-AMINE, (Z,Z)-",025876-34-0,6438044,"(9Z,12Z)-octadeca-9,12-dien-1-amine",CCCCC/C=C\C/C=C\CCCCCCCCN,"InChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10H,2-5,8,11-19H2,1H3/b7-6-,10-9-",GOLAKLHPPDDLST-HZJYTTRNSA-N,C18H35N,265.5,265.2769501,6.5,26,206,0,1,1,14,19,,,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0,1,1
"SULFAMOYL CHLORIDE, (1-METHYLETHYL)-",026118-67-2,117737,N-propan-2-ylsulfamoyl chloride,CC(C)NS(=O)(=O)Cl,"InChI=1S/C3H8ClNO2S/c1-3(2)5-8(4,6)7/h3,5H,1-2H3",AGRDPCWQGGNEQL-UHFFFAOYSA-N,C3H8ClNO2S,157.62,156.9964274,0.9,54.6,145,0,1,3,2,8,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANAMINE, N-ETHYL-, SULFATE",026292-53-5,168506,N-ethylethanamine;sulfuric acid,CCNCC.OS(=O)(=O)O,"InChI=1S/C4H11N.H2O4S/c1-3-5-4-2;1-5(2,3)4/h5H,3-4H2,1-2H3;(H2,1,2,3,4)",NLXFONFHPKEHOZ-UHFFFAOYSA-N,C4H13NO4S,171.22,171.0565291,,95,92,0,3,5,2,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHORODITHIOIC ACID, O,O-DIMETHYL ESTER, SODIUM SALT",026377-29-7,23683120,sodium dimethoxy-sulfanylidene-sulfido-lambda5-phosphane,COP(=S)(OC)[S-].[Na+],"InChI=1S/C2H7O2PS2.Na/c1-3-5(6,7)4-2;/h1-2H3,(H,6,7);/q;+1/p-1",NDBRRRXCHZEEMS-UHFFFAOYSA-M,C2H6NaO2PS2,180.17,179.9444531,,51.6,90,0,0,4,2,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANEDIOIC ACID, SULFO-, C-OCTADECYL ESTER, DISODIUM SALT",026446-37-7,168542,disodium;4-octadecoxy-4-oxo-2-sulfonatobutanoate,CCCCCCCCCCCCCCCCCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C22H42O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-21(23)19-20(22(24)25)30(26,27)28;;/h20H,2-19H2,1H3,(H,24,25)(H,26,27,28);;/q;2*+1/p-2",GIBLJHXLTNHSEO-UHFFFAOYSA-L,C22H40Na2O7S,494.6,494.2290134,,132,521,0,0,7,20,32,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANEDIOIC ACID, SULFO-, C-DODECYL ESTER, DISODIUM SALT",026838-05-1,23686662,"sodium 4-dodecoxy-1-hydroxy-1,4-dioxobutane-2-sulfonate",CCCCCCCCCCCCOC(=O)CC(C(=O)O)S(=O)(=O)[O-].[Na+],"InChI=1S/C16H30O7S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-23-15(17)13-14(16(18)19)24(20,21)22;/h14H,2-13H2,1H3,(H,18,19)(H,20,21,22);/q;+1/p-1",YOONYCXIUVPRHM-UHFFFAOYSA-M,C16H29NaO7S,388.5,388.1531687,,129,460,0,1,7,16,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"8-OXA-3,5-DITHIA-4-STANNATETRADECANOIC ACID, 4-BUTYL-10-ETHYL-4-[[2-[(2-ETHYLH",026864-37-9,117334,2-ethylhexyl 2-[butyl-bis[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl]stannyl]sulfanylacetate,CCCCC(CC)COC(=O)CS[Sn](CCCC)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC,"InChI=1S/3C10H20O2S.C4H9.Sn/c3*1-3-5-6-9(4-2)7-12-10(11)8-13;1-3-4-2;/h3*9,13H,3-8H2,1-2H3;1,3-4H2,2H3;/q;;;;+3/p-3",HHDNFMPQAVDNGA-UHFFFAOYSA-K,C34H66O6S3Sn,785.8,786.304356,,155,653,0,0,9,33,44,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ISONONANOIC ACID,026896-18-4,33635,7-methyloctanoic acid,CC(C)CCCCCC(=O)O,"InChI=1S/C9H18O2/c1-8(2)6-4-3-5-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)",XZOYHFBNQHPJRQ-UHFFFAOYSA-N,C9H18O2,158.24,158.1306798,3.3,37.3,108,0,1,2,6,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, DIISOTRIDECYL ESTER",027073-01-4,117917,bis(11-methyldodecyl) hydrogen phosphate,CC(C)CCCCCCCCCCOP(=O)(O)OCCCCCCCCCCC(C)C,"InChI=1S/C26H55O4P/c1-25(2)21-17-13-9-5-7-11-15-19-23-29-31(27,28)30-24-20-16-12-8-6-10-14-18-22-26(3)4/h25-26H,5-24H2,1-4H3,(H,27,28)",GMPXNGPHBIHLON-UHFFFAOYSA-N,C26H55O4P,462.7,462.3837972,10.7,55.8,378,0,1,4,24,31,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"NEODECANOIC ACID, LEAD SALT",027253-28-7,73555672,"lead(2+);bis(3,3,5,5-tetramethylhexanoate)",CC(C)(C)CC(C)(C)CC(=O)[O-].CC(C)(C)CC(C)(C)CC(=O)[O-].[Pb+2],"InChI=1S/2C10H20O2.Pb/c2*1-9(2,3)7-10(4,5)6-8(11)12;/h2*6-7H2,1-5H3,(H,11,12);/q;;+2/p-2",WTPILVACLGEKGB-UHFFFAOYSA-L,C20H38O4Pb,550,550.25366,,80.3,158,0,0,4,6,25,,,0,0,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUORO-1-OCTANESULFONIC ACID",027619-97-2,119688,"3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonic acid",C(CS(=O)(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C8H5F13O3S/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H,22,23,24)",VIONGDJUYAYOPU-UHFFFAOYSA-N,C8H5F13O3S,428.17,427.9751813,3.9,62.8,585,0,1,16,7,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,0
"ISONONANAMINE, N-ISONONYL-",028454-70-8,168808,7-methyl-N-(7-methyloctyl)octan-1-amine,CC(C)CCCCCCNCCCCCCC(C)C,"InChI=1S/C18H39N/c1-17(2)13-9-5-7-11-15-19-16-12-8-6-10-14-18(3)4/h17-19H,5-16H2,1-4H3",KHFRJOPGKUBZLL-UHFFFAOYSA-N,C18H39N,269.5,269.3082502,7.1,12,145,0,1,1,14,19,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHONIC ACID, (1-HYDROXYETHYLIDENE)BIS-, SODIUM SALT",029329-71-3,23687324,sodium hydroxy-(1-hydroxy-1-phosphonoethyl)phosphinate,CC(O)(P(=O)(O)O)P(=O)(O)[O-].[Na+],"InChI=1S/C2H8O7P2.Na/c1-2(3,10(4,5)6)11(7,8)9;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);/q;+1/p-1",MKJHAUJMSPBJTL-UHFFFAOYSA-M,C2H7NaO7P2,228.01,227.9564708,,138,246,0,4,7,2,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANOL, 2-(HYDROXYMETHYLAMINO)-",034375-28-5,14943731,2-[hydroxy(methyl)amino]ethanol,CN(CCO)O,"InChI=1S/C3H9NO2/c1-4(6)2-3-5/h5-6H,2-3H2,1H3",KNYGFYTZAQKWSZ-UHFFFAOYSA-N,C3H9NO2,91.11,91.06332853,-0.9,43.7,32,0,2,3,2,6,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-PENTADECYL-.OMEGA.-HYDROXY-",034398-05-5,51143,2-pentadecoxyethanol,CCCCCCCCCCCCCCCOCCO,"InChI=1S/C17H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18/h18H,2-17H2,1H3",VZXORAZVOZRPBU-UHFFFAOYSA-N,C17H36O2,272.5,272.2715304,6.7,29.5,148,0,1,2,16,19,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
NICKEL COMPLEX (NICKEL NITRILOTRIACETIC ACID),034831-03-3,36939,2-[carboxylatomethyl(carboxymethyl)amino]acetate;nickel(2+),C(C(=O)O)N(CC(=O)[O-])CC(=O)[O-].[Ni+2],"InChI=1S/C6H9NO6.Ni/c8-4(9)1-7(2-5(10)11)3-6(12)13;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);/q;+2/p-2",ADHAUWMNDHMUMH-UHFFFAOYSA-L,C6H7NNiO6,247.82,246.962679,,121,198,0,1,7,4,14,,,1,0,0,1,0,1,1,0,0,0,0,0,0,0,1,0,0,1,0,0
"1-BROMO-1-(BROMOMETHYL)-1,3-PROPANEDICARBONITRILE",035691-65-7,61948,2-bromo-2-(bromomethyl)pentanedinitrile,C(CC(CBr)(C#N)Br)C#N,"InChI=1S/C6H6Br2N2/c7-4-6(8,5-10)2-1-3-9/h1-2,4H2",DHVLDKHFGIVEIP-UHFFFAOYSA-N,C6H6Br2N2,265.93,265.88772,1.4,47.6,196,0,0,2,3,10,,212 °C,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"Silane, 2-chloroethyltris(2-methoxyethoxy)-",037894-46-5,93200,2-chloroethyl-tris(2-methoxyethoxy)silane,COCCO[Si](CCCl)(OCCOC)OCCOC,"InChI=1S/C11H25ClO6Si/c1-13-5-8-16-19(11-4-12,17-9-6-14-2)18-10-7-15-3/h4-11H2,1-3H3",SLZWEMYSYKOWCG-UHFFFAOYSA-N,C11H25ClO6Si,316.85,316.1108927,,55.4,171,0,0,6,14,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"1-PENTANAMINE, N-BUTYL-",039536-61-3,123483,N-butylpentan-1-amine,CCCCCNCCCC,"InChI=1S/C9H21N/c1-3-5-7-9-10-8-6-4-2/h10H,3-9H2,1-2H3",AMJIVVJFADZSNZ-UHFFFAOYSA-N,C9H21N,143.27,143.1673997,3.4,12,52,0,1,1,7,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANEDIOIC ACID, MONO[2-[(1-OXO-2-PROPENYL)OXY]ETHYL] ESTER",050940-49-3,175956,4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid,C=CC(=O)OCCOC(=O)CCC(=O)O,"InChI=1S/C9H12O6/c1-2-8(12)14-5-6-15-9(13)4-3-7(10)11/h2H,1,3-6H2,(H,10,11)",UZDMJPAQQFSMMV-UHFFFAOYSA-N,C9H12O6,216.19,216.0633881,0,89.9,257,0,1,6,9,15,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,1,1
"2-PROPENOIC ACID, 1,4-BUTANEDIYLBIS[OXY(2-HYDROXY-3,1-PROPANEDIYL)]ESTER",052408-42-1,103631,[2-hydroxy-3-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)butoxy]propyl] prop-2-enoate,C=CC(=O)OCC(COCCCCOCC(COC(=O)C=C)O)O,"InChI=1S/C16H26O8/c1-3-15(19)23-11-13(17)9-21-7-5-6-8-22-10-14(18)12-24-16(20)4-2/h3-4,13-14,17-18H,1-2,5-12H2",QIPOUSKNIMYTRA-UHFFFAOYSA-N,C16H26O8,346.37,346.1627678,0.4,112,346,0,2,8,17,24,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"2-PROPENOIC ACID, 2-METHYL-, 2-HYDROXYETHYL ESTER, PHOSPHATE",052628-03-2,104265,2-hydroxyethyl 2-methylprop-2-enoate;phosphoric acid,CC(=C)C(=O)OCCO.OP(=O)(O)O,"InChI=1S/C6H10O3.H3O4P/c1-5(2)6(8)9-4-3-7;1-5(2,3)4/h7H,1,3-4H2,2H3;(H3,1,2,3,4)",POLZHVHESHDZRD-UHFFFAOYSA-N,C6H13O7P,228.14,228.0398898,,124,167,0,4,7,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"1,3-PROPANEDIAMINE, N-[3-(DODECYLOXY)PROPYL]-",052898-18-7,104351,"N'-(3-dodecoxypropyl)propane-1,3-diamine",CCCCCCCCCCCCOCCCNCCCN,"InChI=1S/C18H40N2O/c1-2-3-4-5-6-7-8-9-10-11-17-21-18-13-16-20-15-12-14-19/h20H,2-19H2,1H3",RQPAMHIHBHFBJN-UHFFFAOYSA-N,C18H40N2O,300.5,300.3140639,5,47.3,177,0,2,3,18,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,1
"METHANESULFONIC ACID, COPPER(2+) SALT",054253-62-2,3085058,copper;methanesulfonic acid,CS(=O)(=O)O.[Cu],"InChI=1S/CH4O3S.Cu/c1-5(2,3)4;/h1H3,(H,2,3,4);",SDFNZYMSEOUVIF-UHFFFAOYSA-N,CH4CuO3S,159.65,158.917712,,62.8,92,0,1,3,0,6,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-PROPANAMINE, 3-(2-METHOXYETHOXY)-",054303-31-0,108574,3-(2-methoxyethoxy)propan-1-amine,COCCOCCCN,"InChI=1S/C6H15NO2/c1-8-5-6-9-4-2-3-7/h2-7H2,1H3",PWGVOCGNHYMDLS-UHFFFAOYSA-N,C6H15NO2,133.19,133.1102787,-0.7,44.5,50,0,1,3,6,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANAMIDE, 2-CHLORO-N,N-DIETHYL-",054333-75-4,41046,"2-chloro-N,N-diethylpropanamide",CCN(CC)C(=O)C(C)Cl,"InChI=1S/C7H14ClNO/c1-4-9(5-2)7(10)6(3)8/h6H,4-5H2,1-3H3",WORKHWHULFDZDE-UHFFFAOYSA-N,C7H14ClNO,163.64,163.0763918,1.5,20.3,112,0,0,1,3,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-[BIS(2-AMINOETHYL)AMINO]-",058145-14-5,16070,2-[bis(2-aminoethyl)amino]ethanol,C(CN(CCN)CCO)N,"InChI=1S/C6H17N3O/c7-1-3-9(4-2-8)5-6-10/h10H,1-8H2",WUXYGKZSOBYDPP-UHFFFAOYSA-N,C6H17N3O,147.22,147.1371622,-2.3,75.5,64,0,3,4,6,10,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"1-BUTANOL, 3-METHYL-, HYDROGEN PHOSPHORODITHIOATE, SODIUM SALT",058237-07-3,23668610,sodium bis(3-methylbutoxy)-sulfanylidene-sulfido-lambda5-phosphane,CC(C)CCOP(=S)(OCCC(C)C)[S-].[Na+],"InChI=1S/C10H23O2PS2.Na/c1-9(2)5-7-11-13(14,15)12-8-6-10(3)4;/h9-10H,5-8H2,1-4H3,(H,14,15);/q;+1/p-1",XXCCIECCJZSNGT-UHFFFAOYSA-M,C10H22NaO2PS2,292.4,292.0696536,,51.6,195,0,0,4,8,16,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"10-OXA-4,6-DITHIA-5-STANNAHEXADECANOIC ACID, 12-ETHYL-5,5-DIOCTYL-9-OXO-, 2-ET",059185-95-4,9576175,2-ethylhexyl 3-[[3-(2-ethylhexoxy)-3-oxopropyl]sulfanyl-dioctylstannyl]sulfanylpropanoate,CCCCCCCC[Sn](CCCCCCCC)(SCCC(=O)OCC(CC)CCCC)SCCC(=O)OCC(CC)CCCC,"InChI=1S/2C11H22O2S.2C8H17.Sn/c2*1-3-5-6-10(4-2)9-13-11(12)7-8-14;2*1-3-5-7-8-6-4-2;/h2*10,14H,3-9H2,1-2H3;2*1,3-8H2,2H3;/q;;;;+2/p-2",AABSCORIAJETCY-UHFFFAOYSA-L,C38H76O4S2Sn,779.9,780.420706,,103,622,0,0,6,36,45,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"1-PROPANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, FORMATE (SALT)",062314-25-4,112482,2-hydroxypropyl(trimethyl)azanium formate,CC(C[N+](C)(C)C)O.C(=O)[O-],"InChI=1S/C6H16NO.CH2O2/c1-6(8)5-7(2,3)4;2-1-3/h6,8H,5H2,1-4H3;1H,(H,2,3)/q+1;/p-1",OTOLFQXGRCJFQN-UHFFFAOYSA-M,C7H17NO3,163.21,163.1208434,,60.4,72,0,1,3,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-OCTADECYL-.OMEGA.-HYDROXY-, PHOSPHATE",062362-49-6,13783981,2-octadecoxyethyl dihydrogen phosphate,CCCCCCCCCCCCCCCCCCOCCOP(=O)(O)O,"InChI=1S/C20H43O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-19-20-25-26(21,22)23/h2-20H2,1H3,(H2,21,22,23)",JOIFGFCERYSPEC-UHFFFAOYSA-N,C20H43O5P,394.5,394.2848115,7.1,76,319,0,2,5,21,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,1,0,1
"PHOSPHONIC ACID, DI-9-OCTADECENYL ESTER",064051-29-2,6335850,bis(octadec-9-enoxy)-oxophosphanium,CCCCCCCCC=CCCCCCCCCO[P+](=O)OCCCCCCCCC=CCCCCCCCC,"InChI=1S/C36H70O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-40(37)39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3/q+1",HBUROESZWYWHFQ-UHFFFAOYSA-N,C36H70O3P+,581.9,581.5062581,15.8,35.5,500,1,0,3,34,40,,,0,1,0,1,0,0,0,1,0,0,1,0,0,1,0,0,1,0,0,0
"1-TETRADECANAMINIUM, N,N,N-TRIMETHYL-, METHYL SULFATE",065059-43-0,103085,methyl sulfate;trimethyl(tetradecyl)azanium,CCCCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-],"InChI=1S/C17H38N.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;1-5-6(2,3)4/h5-17H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",VXBSKVAMQMBCCA-UHFFFAOYSA-M,C18H41NO4S,367.6,367.27563,,74.8,248,0,0,4,13,24,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1-HEXADECANAMINIUM, N,N,N-TRIMETHYL-, METHYL SULFATE",065060-02-8,103114,hexadecyl(trimethyl)azanium;methyl sulfate,CCCCCCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-],"InChI=1S/C19H42N.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-5-6(2,3)4/h5-19H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",OEWKLERKHURFTB-UHFFFAOYSA-M,C20H45NO4S,395.6,395.3069301,,74.8,271,0,0,4,15,26,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPANOL, 1-[BIS[3-(DIMETHYLAMINO)PROPYL]AMINO]-",067151-63-7,106705,1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol,CC(CN(CCCN(C)C)CCCN(C)C)O,"InChI=1S/C13H31N3O/c1-13(17)12-16(10-6-8-14(2)3)11-7-9-15(4)5/h13,17H,6-12H2,1-5H3",NWDRKFORNVPWLY-UHFFFAOYSA-N,C13H31N3O,245.4,245.2467126,0.8,30,160,0,1,4,10,17,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-PROPANAMINIUM, N-ETHYL-N,N-DIMETHYL-3-[(1-OXOISOOCTADECYL)AMINO]-, ETHYL SUL",067633-63-0,105494,ethyl-dimethyl-[3-(16-methylheptadecanoylamino)propyl]azanium;ethyl sulfate,CC[N+](C)(C)CCCNC(=O)CCCCCCCCCCCCCCC(C)C.CCOS(=O)(=O)[O-],"InChI=1S/C25H52N2O.C2H6O4S/c1-6-27(4,5)23-19-22-26-25(28)21-18-16-14-12-10-8-7-9-11-13-15-17-20-24(2)3;1-2-6-7(3,4)5/h24H,6-23H2,1-5H3;2H2,1H3,(H,3,4,5)",IMWSVOVXSVRHAO-UHFFFAOYSA-N,C27H58N2O5S,522.8,522.4066441,,104,456,0,1,5,21,35,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, (2-METHYLBUTOXY)-, 2-PROPENYL ESTER",067634-01-9,106730,prop-2-enyl 2-(2-methylbutoxy)acetate,CCC(C)COCC(=O)OCC=C,"InChI=1S/C10H18O3/c1-4-6-13-10(11)8-12-7-9(3)5-2/h4,9H,1,5-8H2,2-3H3",GWFJURKHPPFFMD-UHFFFAOYSA-N,C10H18O3,186.25,186.1255944,2.3,35.5,154,0,0,3,8,13,,,1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0
N-[3-(DIMETHYLAMINO)PROPYL]TETRADECANAMIDE-N-OXIDE,067806-10-4,64680,"N,N-dimethyl-3-(tetradecanoylamino)propan-1-amine oxide",CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-],"InChI=1S/C19H40N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(22)20-17-15-18-21(2,3)23/h4-18H2,1-3H3,(H,20,22)",DKPKKUQZFWYBRB-UHFFFAOYSA-N,C19H40N2O2,328.5,328.3089785,5.6,47.2,281,0,1,2,16,23,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"1,3-PROPANEDIAMINE, N-[3-(TETRADECYLOXY)PROPYL]-",068189-44-6,109722,"N'-(3-tetradecoxypropyl)propane-1,3-diamine",CCCCCCCCCCCCCCOCCCNCCCN,"InChI=1S/C20H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-23-20-15-18-22-17-14-16-21/h22H,2-21H2,1H3",MUCWVNRLUFHAFJ-UHFFFAOYSA-N,C20H44N2O,328.6,328.345364,6.1,47.3,200,0,2,3,20,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,1
"ZINC, BIS(D-GLYCERO-D-IDO-HEPTONATO)-",068475-48-9,109394,"zinc bis(2,3,4,5,6,7-hexahydroxyheptanoate)",C(C(C(C(C(C(C(=O)[O-])O)O)O)O)O)O.C(C(C(C(C(C(C(=O)[O-])O)O)O)O)O)O.[Zn+2],"InChI=1S/2C7H14O8.Zn/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2",OSNZINYBJQTKQS-UHFFFAOYSA-L,C14H26O16Zn,515.7,514.051227,,323,202,0,12,16,10,31,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-HEPTADECAFLUORO-1-OCTANESULFONIC ACID, COMPD. WITH 2,2'-IMINOBIS(ETHANOL) (1:1)",070225-14-8,112394,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid;2-(2-hydroxyethylamino)ethanol",C(CO)NCCO.C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C8HF17O3S.C4H11NO2/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;6-3-1-5-2-4-7/h(H,26,27,28);5-7H,1-4H2",OHPZNXYJAZBDSJ-UHFFFAOYSA-N,C12H12F17NO5S,605.27,605.0164724,,115,756,0,4,23,11,36,,,0,0,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"BUTANENITRILE, 3-OXO-, ION(1-), SODIUM",070807-22-6,55250325,sodium 3-oxobutanenitrile,CC(=O)[CH-]C#N.[Na+],"InChI=1S/C4H4NO.Na/c1-4(6)2-3-5;/h2H,1H3;/q-1;+1",YYIONPHFSWONBR-UHFFFAOYSA-N,C4H4NNaO,105.07,105.019058,,40.9,102,0,0,3,1,7,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"PROPANEDIAMIDE, 2,2-DIBROMO-",073003-80-2,175375,"2,2-dibromopropanediamide",C(=O)(C(C(=O)N)(Br)Br)N,"InChI=1S/C3H4Br2N2O2/c4-3(5,1(6)8)2(7)9/h(H2,6,8)(H2,7,9)",SWHQVMGRXIYDSF-UHFFFAOYSA-N,C3H4Br2N2O2,259.88,259.8619,-0.2,86.2,140,0,2,2,2,9,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
2-[[2-[2-(DIMETHYLAMINO)ETHOXY]ETHYL]METHYLAMINO]ETHANOL,083016-70-0,3086157,2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethanol,CN(C)CCOCCN(C)CCO,"InChI=1S/C9H22N2O2/c1-10(2)5-8-13-9-6-11(3)4-7-12/h12H,4-9H2,1-3H3",NCUPDIHWMQEDPR-UHFFFAOYSA-N,C9H22N2O2,190.28,190.1681279,-0.5,35.9,110,0,1,4,8,13,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHONIUM, TRIBUTYL(2-METHOXYPROPYL)-, CHLORIDE",121848-13-3,3025686,tributyl(2-methoxypropyl)phosphanium chloride,CCCC[P+](CCCC)(CCCC)CC(C)OC.[Cl-],"InChI=1S/C16H36OP.ClH/c1-6-9-12-18(13-10-7-2,14-11-8-3)15-16(4)17-5;/h16H,6-15H2,1-5H3;1H/q+1;/p-1",UDRBACREFJVZDG-UHFFFAOYSA-M,C16H36ClOP,310.9,310.2192305,,9.2,160,0,0,2,12,19,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANENITRILE, 3-(3-HEXENYLOXY)-, (Z)-",142653-61-0,15031854,3-[(Z)-hex-3-enoxy]propanenitrile,CC/C=C\CCOCCC#N,"InChI=1S/C9H15NO/c1-2-3-4-5-8-11-9-6-7-10/h3-4H,2,5-6,8-9H2,1H3/b4-3-",TVSGBEJPUDTIBF-ARJAWSKDSA-N,C9H15NO,153.22,153.1153641,1.5,33,143,0,0,2,6,11,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"N,N-DIMETHYLDIPROPYLTRIAMINE",010563-29-8,82728,"N'-[3-(dimethylamino)propyl]propane-1,3-diamine",CN(C)CCCNCCCN,"InChI=1S/C8H21N3/c1-11(2)8-4-7-10-6-3-5-9/h10H,3-9H2,1-2H3",OMKZWUPRGQMQJC-UHFFFAOYSA-N,C8H21N3,159.27,159.1735477,-0.4,41.3,73,0,2,3,7,11,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
ETHYLENEDIAMINE/METHYL ISOBUTYL KETONE KETIMINE,025707-70-4,93092,4-methyl-N-[2-(4-methylpentan-2-ylideneamino)ethyl]pentan-2-imine,CC(C)CC(=NCCN=C(C)CC(C)C)C,"InChI=1S/C14H28N2/c1-11(2)9-13(5)15-7-8-16-14(6)10-12(3)4/h11-12H,7-10H2,1-6H3",FCBJYQXWWPKMPJ-UHFFFAOYSA-N,C14H28N2,224.39,224.2252489,2.4,24.7,211,0,0,2,7,16,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,1,0,1,1,0,0
"O,O,O-TRIETHYLPHOSPHOROTHIOATE",000126-68-1,31354,triethoxy(sulfanylidene)-lambda5-phosphane,CCOP(=S)(OCC)OCC,"InChI=1S/C6H15O3PS/c1-4-7-10(11,8-5-2)9-6-3/h4-6H2,1-3H3",QTPJMTACJMLPLL-UHFFFAOYSA-N,C6H15O3PS,198.22,198.0479525,2.3,59.8,116,0,0,4,6,11,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
TRIETHYLMETHYLAMMONIUM TETRAFLUOROBORATE,069444-47-9,11745724,triethyl(methyl)azanium tetrafluoroborate,[B-](F)(F)(F)F.CC[N+](C)(CC)CC,"InChI=1S/C7H18N.BF4/c1-5-8(4,6-2)7-3;2-1(3,4)5/h5-7H2,1-4H3;/q+1;-1",OHZMHURLSZDGTO-UHFFFAOYSA-N,C7H18BF4N,203.03,203.1468424,,0,66,0,0,5,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"THALLIUM, ISOTOPE OF MASS 203",014280-48-9,16019994,thallium-203,[203Tl],InChI=1S/Tl/i1-1,BKVIYDNLLOSFOA-BJUDXGSMSA-N,Tl,202.97234,202.97234,,0,0,0,0,0,0,1,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
PENTAZINC CHROMATE OCTAHYDROXIDE,049663-84-5,44144623,pentazinc;dioxido(dioxo)chromium;octahydroxide,[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O-][Cr](=O)(=O)[O-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2],InChI=1S/Cr.8H2O.4O.5Zn/h;8*1H2;;;;;;;;;/q;;;;;;;;;;;2*-1;5*+2/p-8,NIGQUPUVERYFKP-UHFFFAOYSA-F,CrH8O12Zn5,579,577.58038,,88.3,62,0,8,12,0,18,,,1,0,1,1,0,1,1,0,0,0,1,0,0,1,0,0,0,1,0,1
ETHOXYLATED OLEYL AMINE,013127-82-7,6435844,2-[2-hydroxyethyl-[(Z)-octadec-9-enyl]amino]ethanol,CCCCCCCC/C=C\CCCCCCCCN(CCO)CCO,"InChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25/h9-10,24-25H,2-8,11-22H2,1H3/b10-9-",BITAPBDLHJQAID-KTKRTIGZSA-N,C22H45NO2,355.6,355.3450297,6.8,43.7,263,0,2,3,20,25,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM DIFLUORODIHYDROXYBORATE(1-),085392-66-1,44145740,potassium difluoro(dihydroxy)boranuide,[B-](O)(O)(F)F.[K+],"InChI=1S/BF2H2O2.K/c2-1(3,4)5;/h4-5H;/q-1;+1",VRMTUNITGONABS-UHFFFAOYSA-N,BF2H2KO2,121.92,121.9752973,,40.5,34,0,2,5,0,6,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1
TRIBUTYL(METHYL)PHOSPHONIUM METHYL SULFATE,069056-62-8,16218793,methyl sulfate;tributyl(methyl)phosphanium,CCCC[P+](C)(CCCC)CCCC.COS(=O)(=O)[O-],"InChI=1S/C13H30P.CH4O4S/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;1-5-6(2,3)4/h5-13H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",JMXOUHNHEFFQIW-UHFFFAOYSA-M,C14H33O4PS,328.45,328.1837177,,74.8,189,0,0,4,9,20,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ETHYLENE GLYCOL BIS(SEMIFORMAL),003586-55-8,62511,2-(hydroxymethoxy)ethoxymethanol,C(COCO)OCO,"InChI=1S/C4H10O4/c5-3-7-1-2-8-4-6/h5-6H,1-4H2",BXGYYDRIMBPOMN-UHFFFAOYSA-N,C4H10O4,122.12,122.0579088,-1.2,58.9,33,0,2,4,5,8,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ISOCYANIC ACID,000075-13-8,6347,isocyanic acid,C(=N)=O,InChI=1S/CHNO/c2-1-3/h2H,OWIKHYCFFJSOEH-UHFFFAOYSA-N,CHNO,43.025,43.00581366,1,40.9,27,0,1,2,0,3,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,1
"2,3,3,3-TETRAFLUORO-2-(HEPTAFLUOROPROPOXY)PROPIONIC ACID",013252-13-6,114481,"2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid",C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)O,"InChI=1S/C6HF11O3/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15/h(H,18,19)",CSEBNABAWMZWIF-UHFFFAOYSA-N,C6HF11O3,330.05,329.9750037,3.6,46.5,383,0,1,14,4,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N-(3-(DIMETHOXYMETHYLSILYL)-2-METHYLPROPYL)-1,2-ETHANEDIAMINE",023410-40-4,90922,"N'-[3-[dimethoxy(methyl)silyl]-2-methylpropyl]ethane-1,2-diamine",CC(CNCCN)C[Si](C)(OC)OC,"InChI=1S/C9H24N2O2Si/c1-9(7-11-6-5-10)8-14(4,12-2)13-3/h9,11H,5-8,10H2,1-4H3",HXDMXWXYZHDHLS-UHFFFAOYSA-N,C9H24N2O2Si,220.38,220.1607046,,56.5,143,0,2,4,8,14,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"2,2'-(OCTYLIMINO)BISETHANOL",015520-05-5,84963,2-[2-hydroxyethyl(octyl)amino]ethanol,CCCCCCCCN(CCO)CCO,"InChI=1S/C12H27NO2/c1-2-3-4-5-6-7-8-13(9-11-14)10-12-15/h14-15H,2-12H2,1H3",QZQNMMLYACBCMJ-UHFFFAOYSA-N,C12H27NO2,217.35,217.2041791,2.3,43.7,114,0,2,3,11,15,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
NICKEL AMMONIUM SULFATE HEXAHYDRATE,007785-20-8,62669,azane;hydrogen sulfate;nickel(2+);hexahydrate,N.N.O.O.O.O.O.O.OS(=O)(=O)[O-].OS(=O)(=O)[O-].[Ni+2],"InChI=1S/2H3N.Ni.2H2O4S.6H2O/c;;;2*1-5(2,3)4;;;;;;/h2*1H3;;2*(H2,1,2,3,4);6*1H2/q;;+2;;;;;;;;/p-2",ZZPAXHDZFDUTLY-UHFFFAOYSA-L,H20N2NiO14S2,395,393.970937,,180,76,0,10,16,0,19,,,1,0,1,1,0,1,1,0,0,0,1,0,0,1,1,0,0,1,1,0
PRASEODYMIUM CHLORIDE,010361-79-2,66317,trichloropraseodymium,Cl[Pr](Cl)Cl,InChI=1S/3ClH.Pr/h3*1H;/q;;;+3/p-3,LHBNLZDGIPPZLL-UHFFFAOYSA-K,Cl3Pr,247.26,245.81422,,0,8,0,0,0,0,4,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM METATUNGSTATE,012141-67-2,3084108,hexasodium;tris(dioxido(dioxo)tungsten);nonakis(trioxotungsten),[O-][W](=O)(=O)[O-].[O-][W](=O)(=O)[O-].[O-][W](=O)(=O)[O-].O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],InChI=1S/6Na.39O.12W/q6*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;6*-1;;;;;;;;;;;;,AZCSOJKJFMWYCX-UHFFFAOYSA-N,Na6O39W12,2968,2967.15218,,702,124,0,0,39,0,57,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
POLYETHYLENE (2) STEARYL ETHER,009005-00-9,75050,2-octadecoxyethanol,CCCCCCCCCCCCCCCCCCOCCO,"InChI=1S/C20H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h21H,2-20H2,1H3",ICIDSZQHPUZUHC-UHFFFAOYSA-N,C20H42O2,314.5,314.3184806,8.4,29.5,183,0,1,2,19,22,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
CESIUM VANADIUM OXIDE (CSVO3),014644-55-4,167131,cesium;tris(oxygen(2-));vanadium,[O-2].[O-2].[O-2].[V].[Cs+],InChI=1S/Cs.3O.V/q+1;3*-2;,WWENEIGBGOIMMI-UHFFFAOYSA-N,CsO3V-5,231.845,231.834153,,3,0,-5,0,3,0,5,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"1,9-DIAMINONONANE",0,69534,"nonane-1,9-diamine",C(CCCCN)CCCCN,InChI=1S/C9H22N2/c10-8-6-4-2-1-3-5-7-9-11/h1-11H2,SXJVFQLYZSNZBT-UHFFFAOYSA-N,C9H22N2,158.28,158.1782987,1.8,52,56,0,2,2,8,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
N-[3-(DIMETHYLAMINO)PROPYL]DODECANAMIDE N-OXIDE,061792-31-2,21117028,N-[3-(dimethylamino)propyl]-1-oxododecan-1-amine oxide,CCCCCCCCCCCC(=O)[NH+](CCCN(C)C)[O-],"InChI=1S/C17H36N2O2/c1-4-5-6-7-8-9-10-11-12-14-17(20)19(21)16-13-15-18(2)3/h19H,4-16H2,1-3H3",RFHSGBFHVGQXHD-UHFFFAOYSA-N,C17H36N2O2,300.5,300.2776784,4.7,41.8,245,0,1,3,14,21,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
THIOUREA,000062-56-6,2723790,thiourea,C(=S)(N)N,"InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)",UMGDCJDMYOKAJW-UHFFFAOYSA-N,CH4N2S,76.12,76.00951931,-0.8,84.1,29,0,2,1,0,4,,"Sublimes in vacuum at 302-320 °F (NTP, 1992)",0,0,0,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
DIAMMONIUM CARBONATE,000506-87-6,517111,diazanium;carbonate,C(=O)([O-])[O-].[NH4+].[NH4+],"InChI=1S/CH2O3.2H3N/c2-1(3)4;;/h(H2,2,3,4);2*1H3",PRKQVKDSMLBJBJ-UHFFFAOYSA-N,CH8N2O3,96.09,96.05349212,,65.2,18,0,2,3,0,6,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"FERROUS SULFATE, HEPTAHYDRATE",007782-63-0,62662,iron(2+);sulfate;heptahydrate,O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Fe+2],"InChI=1S/Fe.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,2,3,4);7*1H2/q+2;;;;;;;;/p-2",SURQXAFEQWPFPV-UHFFFAOYSA-L,FeH14O11S,278.02,277.960618,,95.6,62,0,7,11,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
MAGNESIUM SULFATE,007487-88-9,24083,magnesium sulfate,[O-]S(=O)(=O)[O-].[Mg+2],"InChI=1S/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",CSNNHWWHGAXBCP-UHFFFAOYSA-L,MgO4S,120.37,119.9367713,,88.6,62,0,0,4,0,6,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM FERRICYANIDE,013746-66-2,26250,tripotassium;iron(3+);hexacyanide,[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[K+].[K+].[Fe+3],InChI=1S/6CN.Fe.3K/c6*1-2;;;;/q6*-1;+3;3*+1,BYGOPQKDHGXNCD-UHFFFAOYSA-N,C6FeK3N6,329.24,328.844499,,143,127,0,0,12,0,16,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
"SODIUM MOLYBDATE, DIHYDRATE",010102-40-6,16211258,disodium;dioxido(dioxo)molybdenum;dihydrate,O.O.[O-][Mo](=O)(=O)[O-].[Na+].[Na+],InChI=1S/Mo.2Na.2H2O.4O/h;;;2*1H2;;;;/q;2*+1;;;;;2*-1,FDEIWTXVNPKYDL-UHFFFAOYSA-N,H4MoNa2O6,241.96,243.88573,,82.3,62,0,2,6,0,9,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BUTYRAMIDE,000541-35-5,10927,butanamide,CCCC(=O)N,"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)",DNSISZSEWVHGLH-UHFFFAOYSA-N,C4H9NO,87.12,87.06841391,-0.2,43.1,51,0,1,1,2,6,,216 °C,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CYANOACETAMIDE,000107-91-5,7898,2-cyanoacetamide,C(C#N)C(=O)N,"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)",DGJMPUGMZIKDRO-UHFFFAOYSA-N,C3H4N2O,84.08,84.03236276,-1,66.9,98,0,1,2,1,6,,BP: DECOMPOSES,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIACETYL MONOXIME,000057-71-6,6409633,(3E)-3-hydroxyiminobutan-2-one,C/C(=N\O)/C(=O)C,"InChI=1S/C4H7NO2/c1-3(5-7)4(2)6/h7H,1-2H3/b5-3+",FSEUPUDHEBLWJY-HWKANZROSA-N,C4H7NO2,101.1,101.0476785,0.4,49.7,106,0,1,3,1,7,,"365 to 367 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CYANOGUANIDINE,000461-58-5,10005,2-cyanoguanidine,C(#N)N=C(N)N,"InChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)",QGBSISYHAICWAH-UHFFFAOYSA-N,C2H4N4,84.08,84.04359615,-1.2,88.2,100,0,2,2,0,6,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
GUANIDINE HYDROCHLORIDE,000050-01-1,5742,guanidine;hydrochloride,C(=N)(N)N.Cl,"InChI=1S/CH5N3.ClH/c2-1(3)4;/h(H5,2,3,4);1H",PJJJBBJSCAKJQF-UHFFFAOYSA-N,CH6ClN3,95.53,95.0250249,,75.9,26,0,4,1,0,5,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
YTTRIUM FLUORIDE,013709-49-4,83679,trifluoroyttrium,F[Y](F)F,InChI=1S/3FH.Y/h3*1H;/q;;;+3/p-3,RBORBHYCVONNJH-UHFFFAOYSA-K,F3Y,145.90105,145.901048,,0,8,0,0,3,0,4,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-BUTANEDIOL",000110-63-4,8064,"butane-1,4-diol",C(CCO)CO,"InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2",WERYXYBDKMZEQL-UHFFFAOYSA-N,C4H10O2,90.12,90.06807956,-0.8,40.5,17,0,2,2,3,6,"247 °F (NTP, 1992)","446 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"2,2,4-TRIMETHYL-1,3-PENTANEDIOL",000144-19-4,8946,"2,2,4-trimethylpentane-1,3-diol",CC(C)C(C(C)(C)CO)O,"InChI=1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3",JCTXKRPTIMZBJT-UHFFFAOYSA-N,C8H18O2,146.23,146.1306798,1.4,40.5,97,0,2,2,3,10,113 °C,234 °C @ 737 MM HG,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BROMOTRICHLOROMETHANE,000075-62-7,6383,bromo(trichloro)methane,C(Cl)(Cl)(Cl)Br,"InChI=1S/CBrCl3/c2-1(3,4)5",XNNQFQFUQLJSQT-UHFFFAOYSA-N,CBrCl3,198.27,195.8249,2.9,0,28,0,0,0,0,5,,105 °C,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIBROMOCHLOROMETHANE,000124-48-1,31296,dibromo(chloro)methane,C(Cl)(Br)Br,InChI=1S/CHBr2Cl/c2-1(3)4/h1H,GATVIKZLVQHOMN-UHFFFAOYSA-N,CHBr2Cl,208.28,207.8113,2.6,0,13,0,0,0,0,4,"greater than 200 °F (NTP, 1992)","246 to 248 °F at 748 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
DITHIOOXAMIDE,000079-40-3,2777982,ethanedithioamide,C(=S)(C(=S)N)N,"InChI=1S/C2H4N2S2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)",OAEGRYMCJYIXQT-UHFFFAOYSA-N,C2H4N2S2,120.2,119.9815905,-0.4,116,75,0,2,2,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYL CYANOACETATE,000105-56-6,7764,ethyl 2-cyanoacetate,CCOC(=O)CC#N,"InChI=1S/C5H7NO2/c1-2-8-5(7)3-4-6/h2-3H2,1H3",ZIUSEGSNTOUIPT-UHFFFAOYSA-N,C5H7NO2,113.11,113.0476785,0.4,50.1,122,0,0,3,3,8,"230 °F (NFPA, 2010)",205 °C,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
GALLIUM FLUORIDE,007783-51-9,82211,trifluorogallane,F[Ga](F)F,InChI=1S/3FH.Ga/h3*1H;/q;;;+3/p-3,WXXZSFJVAMRMPV-UHFFFAOYSA-K,F3Ga,126.718,125.92078,,0,8,0,0,3,0,4,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
OXAMIDE,000471-46-5,10113,oxamide,C(=O)(C(=O)N)N,"InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)",YIKSCQDJHCMVMK-UHFFFAOYSA-N,C2H4N2O2,88.07,88.02727738,-1.6,86.2,75,0,2,2,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM BISMUTHATE,012232-99-4,4063671,sodium oxido(dioxo)bismuth,[O-][Bi](=O)=O.[Na+],InChI=1S/Bi.Na.3O/q;+1;;;-1,PNYYBUOBTVHFDN-UHFFFAOYSA-N,BiNaO3,279.968,279.95491,,57.2,49,0,0,3,0,5,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIETHYL PHOSPHATE,000078-40-0,6535,triethyl phosphate,CCOP(=O)(OCC)OCC,"InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3",DQWPFSLDHJDLRL-UHFFFAOYSA-N,C6H15O4P,182.15,182.070796,0.8,44.8,113,0,0,4,6,11,"240 °F (NTP, 1992)","419 to 421 °F at 760 mmHg ; 217 °F at 25 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DISODIUM ETHYLENEDIAMINE TETRAACETATE,000139-33-3,8759,disodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate,C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Na+].[Na+],"InChI=1S/C10H16N2O8.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;2*+1/p-2",ZGTMUACCHSMWAC-UHFFFAOYSA-L,C10H14N2Na2O8,336.21,336.054554,,161,336,0,2,10,9,22,"Flash point is> 100 °C,",,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
ACETYLCHOLINE IODIDE,002260-50-6,75271,2-acetyloxyethyl(trimethyl)azanium iodide,CC(=O)OCC[N+](C)(C)C.[I-],"InChI=1S/C7H16NO2.HI/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1",SMBBQHHYSLHDHF-UHFFFAOYSA-M,C7H16INO2,273.11,273.02258,,26.3,115,0,0,3,4,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHYL PYROCARBONATE,001609-47-8,3051,ethoxycarbonyl ethyl carbonate,CCOC(=O)OC(=O)OCC,"InChI=1S/C6H10O5/c1-3-9-5(7)11-6(8)10-4-2/h3-4H2,1-2H3",FFYPMLJYZAEMQB-UHFFFAOYSA-N,C6H10O5,162.14,162.0528234,1.4,61.8,126,0,0,5,6,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DL-DITHIOTHREITOL,027565-41-9,446094,"(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol",C([C@H]([C@@H](CS)O)O)S,"InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m1/s1",VHJLVAABSRFDPM-QWWZWVQMSA-N,C4H10O2S2,154.3,154.0122219,-0.4,42.5,52,0,4,4,3,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIAMMONIUM MOLYBDATE,013106-76-8,61578,diazanium;dioxido(dioxo)molybdenum,[NH4+].[NH4+].[O-][Mo](=O)(=O)[O-],InChI=1S/Mo.2H3N.4O/h;2*1H3;;;;/q;;;;;2*-1/p+2,APUPEJJSWDHEBO-UHFFFAOYSA-P,H8MoN2O4,196.03,197.95381,,82.3,62,0,2,4,0,7,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
NABAM,000142-59-6,3032297,disodium;N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate,C(CNC(=S)[S-])NC(=S)[S-].[Na+].[Na+],"InChI=1S/C4H8N2S4.2Na/c7-3(8)5-1-2-6-4(9)10;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;2*+1/p-2",UQJQVUOTMVCFHX-UHFFFAOYSA-L,C4H6N2Na2S4,256.4,255.9209215,,90.2,108,0,2,4,3,12,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,1
TETRAMETHYLDIPHOSPHINE DISULFIDE,003676-97-9,96660,dimethylphosphinothioyl-dimethyl-sulfanylidene-lambda5-phosphane,CP(=S)(C)P(=S)(C)C,"InChI=1S/C4H12P2S2/c1-5(2,7)6(3,4)8/h1-4H3",LGZQQMXQPAHRIH-UHFFFAOYSA-N,C4H12P2S2,186.2,185.9855667,2.2,64.2,141,0,0,2,1,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIISOPROPYL METHYLPHOSPHONATE,001445-75-6,3073,2-[methyl(propan-2-yloxy)phosphoryl]oxypropane,CC(C)OP(=O)(C)OC(C)C,"InChI=1S/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3",WOAFDHWYKSOANX-UHFFFAOYSA-N,C7H17O3P,180.18,180.0915314,0.6,35.5,140,0,0,3,4,11,,121.05 °C @ 10 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"EDTA, DISODIUM SALT, DIHYDRATE",006381-92-6,44120005,disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrate,C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)O.O.O.[Na+].[Na+],"InChI=1S/C10H16N2O8.2Na.2H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;2*1H2/q;2*+1;;/p-2",OVBJJZOQPCKUOR-UHFFFAOYSA-L,C10H18N2Na2O10,372.24,372.0756833,,163,340,0,4,12,9,24,"Flash point is> 100 °C,",,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"LITHIUM SULFATE, MONOHYDRATE",010102-25-7,165815,dilithium;sulfate;hydrate,[Li+].[Li+].O.[O-]S(=O)(=O)[O-],"InChI=1S/2Li.H2O4S.H2O/c;;1-5(2,3)4;/h;;(H2,1,2,3,4);1H2/q2*+1;;/p-2",RKGLUDFWIKNKMX-UHFFFAOYSA-L,H2Li2O5S,128,127.9943012,,89.6,62,0,1,5,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
CHROMIUM NITRIDE,012053-27-9,57466644,azane;chromium,N.[Cr],InChI=1S/Cr.H3N/h;1H3,SJKRCWUQJZIWQB-UHFFFAOYSA-N,CrH3N,69.027,68.967054,,1,0,0,1,1,0,2,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
ZIRCONIUM BORIDE,012045-64-6,9812765,,[B].[B].[Zr],InChI=1S/2B.Zr,VWZIXVXBCBBRGP-UHFFFAOYSA-N,B2Zr,112.85,111.923309,,0,0,0,0,0,0,3,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CESIUM SULFATE,010294-54-9,25137,dicesium;sulfate,[O-]S(=O)(=O)[O-].[Cs+].[Cs+],"InChI=1S/2Cs.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",FLJPGEWQYJVDPF-UHFFFAOYSA-L,Cs2O4S,361.88,361.7626336,,88.6,62,0,0,4,0,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
4-CHLOROBUTYL ACETATE,006962-92-1,23399,4-chlorobutyl acetate,CC(=O)OCCCCCl,"InChI=1S/C6H11ClO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3",PYLDCZJUHYVOAF-UHFFFAOYSA-N,C6H11ClO2,150.6,150.0447573,1.8,26.3,83,0,0,2,5,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-CYSTEINE,000052-90-4,5862,(2R)-2-amino-3-sulfanylpropanoic acid,C([C@@H](C(=O)O)N)S,"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1",XUJNEKJLAYXESH-REOHCLBHSA-N,C3H7NO2S,121.16,121.0197496,-2.5,64.3,75,0,3,4,2,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MOLYBDENUM DISILICIDE,012136-78-6,6336985,,[Si]=[Mo]=[Si],InChI=1S/Mo.2Si,YXTPWUNVHCYOSP-UHFFFAOYSA-N,MoSi2,152.12,153.859257,,0,18,0,0,0,0,3,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CESIUM BROMIDE,007787-69-1,24592,cesium bromide,[Br-].[Cs+],InChI=1S/BrH.Cs/h1H;/q;+1/p-1,LYQFWZFBNBDLEO-UHFFFAOYSA-M,BrCs,212.81,211.82379,,0,2,0,0,1,0,2,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FORMOTHION,002540-82-1,17345,2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-methylacetamide,CN(C=O)C(=O)CSP(=S)(OC)OC,"InChI=1S/C6H12NO4PS2/c1-7(5-8)6(9)4-14-12(13,10-2)11-3/h5H,4H2,1-3H3",AIKKULXCBHRFOS-UHFFFAOYSA-N,C6H12NO4PS2,257.3,256.9945372,1.5,113,252,0,0,6,5,14,,Decomposes on distillation,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRABUTYLAMMONIUM BROMIDE,001643-19-2,74236,tetrabutylazanium bromide,CCCC[N+](CCCC)(CCCC)CCCC.[Br-],"InChI=1S/C16H36N.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1",JRMUNVKIHCOMHV-UHFFFAOYSA-M,C16H36BrN,322.37,321.20311,,0,116,0,0,1,12,18,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
TETRAETHYLAMMONIUM FLUORIDE HYDRATE,098330-04-2,16211652,tetraethylazanium;fluoride;hydrate,CC[N+](CC)(CC)CC.O.[F-],"InChI=1S/C8H20N.FH.H2O/c1-5-9(6-2,7-3)8-4;;/h5-8H2,1-4H3;1H;1H2/q+1;;/p-1",YEKUWOWHPVKTCQ-UHFFFAOYSA-M,C8H22FNO,167.26,167.1685425,,1,47,0,1,2,4,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMMONIUM OXALATE MONOHYDRATE,006009-70-7,62600,azane;oxalic acid;hydrate,C(=O)(C(=O)O)O.N.N.O,"InChI=1S/C2H2O4.2H3N.H2O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);2*1H3;1H2",MSMNVXKYCPHLLN-UHFFFAOYSA-N,C2H10N2O5,142.11,142.0589714,,77.6,71,0,5,7,1,9,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
RUTHENIUM RED,011103-72-3,117587625,azane;bis(oxygen(2-));bis(ruthenium(3+));ruthenium(4+);hexachloride,N.N.N.N.N.N.N.N.N.N.N.N.N.N.[O-2].[O-2].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ru+3].[Ru+3].[Ru+4],InChI=1S/6ClH.14H3N.2O.3Ru/h6*1H;14*1H3;;;;;/q;;;;;;;;;;;;;;;;;;;;2*-2;2*+3;+4/p-6,GOOXRYWLNNXLFL-UHFFFAOYSA-H,Cl6H42N14O2Ru3,786.3,788.88702,,16,0,0,14,22,0,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-BROMOETHYLAMINE HYDROBROMIDE,002576-47-8,2774217,2-bromoethanamine;hydrobromide,C(CBr)N.Br,"InChI=1S/C2H6BrN.BrH/c3-1-2-4;/h1-2,4H2;1H",WJAXXWSZNSFVNG-UHFFFAOYSA-N,C2H7Br2N,204.89,204.89247,,26,10,0,2,1,1,5,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
DIACETONE ACRYLAMIDE,002873-97-4,17888,N-(2-methyl-4-oxopentan-2-yl)prop-2-enamide,CC(=O)CC(C)(C)NC(=O)C=C,"InChI=1S/C9H15NO2/c1-5-8(12)10-9(3,4)6-7(2)11/h5H,1,6H2,2-4H3,(H,10,12)",OMNKZBIFPJNNIO-UHFFFAOYSA-N,C9H15NO2,169.22,169.1102787,0.4,46.2,207,0,1,2,4,12,,"248 °F at 8 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
LITHIUM TRIFLUOROMETHANESULPHONATE,033454-82-9,3664839,lithium trifluoromethanesulfonate,[Li+].C(F)(F)(F)S(=O)(=O)[O-],"InChI=1S/CHF3O3S.Li/c2-1(3,4)8(5,6)7;/h(H,5,6,7);/q;+1/p-1",MCVFFRWZNYZUIJ-UHFFFAOYSA-M,CF3LiO3S,156,155.968028,,65.6,162,0,0,6,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CALCIUM OXALATE MONOHYDRATE,005794-28-5,165350,calcium;oxalate;hydrate,C(=O)(C(=O)[O-])[O-].O.[Ca+2],"InChI=1S/C2H2O4.Ca.H2O/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;1H2/q;+2;/p-2",LQHWSGSWNOHVHO-UHFFFAOYSA-L,C2H2CaO5,146.11,145.952814,,81.3,60,0,1,5,0,8,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
LITHIUM PHOSPHATE,010377-52-3,165867,trilithium;phosphate,[Li+].[Li+].[Li+].[O-]P(=O)([O-])[O-],"InChI=1S/3Li.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q3*+1;/p-3",TWQULNDIKKJZPH-UHFFFAOYSA-K,Li3O4P,115.9,116.0014308,,86.3,36,0,0,4,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LITHIUM DIHYDROGEN PHOSPHATE,013453-80-0,23669251,lithium dihydrogen phosphate,[Li+].OP(=O)(O)[O-],"InChI=1S/Li.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1",SNKMVYBWZDHJHE-UHFFFAOYSA-M,H2LiO4P,104,103.985074,,80.6,61,0,2,4,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LITHIUM OXALATE,000553-91-3,68383,dilithium;oxalate,[Li+].[Li+].C(=O)(C(=O)[O-])[O-],"InChI=1S/C2H2O4.2Li/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2",YNQRWVCLAIUHHI-UHFFFAOYSA-L,C2Li2O4,102,102.0116654,,80.3,60,0,0,4,0,8,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CADMIUM TELLURIDE,001306-25-8,91501,tellanylidenecadmium,[Cd]=[Te],InChI=1S/Cd.Te,RPPBZEBXAAZZJH-UHFFFAOYSA-N,CdTe,240,243.809588,,0,2,0,0,0,0,2,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,3-TRIBROMOPROPANE",000096-11-7,7279,"1,2,3-tribromopropane",C(C(CBr)Br)Br,"InChI=1S/C3H5Br3/c4-1-3(6)2-5/h3H,1-2H2",FHCLGDLYRUPKAM-UHFFFAOYSA-N,C3H5Br3,280.78,279.79209,2.6,0,25,0,0,0,2,6,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,5-DIBROMOPENTANE",000111-24-0,8100,"1,5-dibromopentane",C(CCBr)CCBr,InChI=1S/C5H10Br2/c6-4-2-1-3-5-7/h1-5H2,IBODDUNKEPPBKW-UHFFFAOYSA-N,C5H10Br2,229.94,229.91288,2.8,0,25,0,0,0,4,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-HEXANEDIOL",002935-44-6,18049,"hexane-2,5-diol",CC(CCC(C)O)O,"InChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3",OHMBHFSEKCCCBW-UHFFFAOYSA-N,C6H14O2,118.17,118.0993797,0.4,40.5,46,0,2,2,3,8,101 °C,216 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
11-BROMOUNDECANOIC ACID,002834-05-1,17812,11-bromoundecanoic acid,C(CCCCCBr)CCCCC(=O)O,"InChI=1S/C11H21BrO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2,(H,13,14)",IUDGNRWYNOEIKF-UHFFFAOYSA-N,C11H21BrO2,265.19,264.07249,4.5,37.3,137,0,1,2,10,14,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
ETHYL CYANOGLYOXYLATE-2-OXIME,003849-21-6,6399078,ethyl 2-cyano-2-hydroxyiminoacetate,CCOC(=O)C(=NO)C#N,"InChI=1S/C5H6N2O3/c1-2-10-5(8)4(3-6)7-9/h9H,2H2,1H3",LCFXLZAXGXOXAP-UHFFFAOYSA-N,C5H6N2O3,142.11,142.0378421,1.3,82.7,200,0,1,5,3,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LITHIUM THIOCYANATE HYDRATE,123333-85-7,16211966,lithium;thiocyanate;hydrate,[Li+].C(#N)[S-].O,InChI=1S/CHNS.Li.H2O/c2-1-3;;/h3H;;1H2/q;+1;/p-1,UNTVNJAFDYEXLD-UHFFFAOYSA-M,CH2LiNOS,83.1,83.0017133,,25.8,34,0,1,3,0,5,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CERIUM OXALATE,000139-42-4,165565,bis(cerium(3+));oxalate,C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Ce+3].[Ce+3],"InChI=1S/3C2H2O4.2Ce/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6",ZMZNLKYXLARXFY-UHFFFAOYSA-H,C6Ce2O12,544.29,543.74987,,241,60,0,0,12,0,20,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SAMARIUM OXALATE DECAHYDRATE,014175-03-2,121488066,oxalic acid;samarium;decahydrate,C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.O.O.O.O.O.O.O.O.O.O.[Sm].[Sm],"InChI=1S/3C2H2O4.10H2O.2Sm/c3*3-1(4)2(5)6;;;;;;;;;;;;/h3*(H,3,4)(H,5,6);10*1H2;;",IKPDQYODFRQYAD-UHFFFAOYSA-N,C6H26O22Sm2,751,755.93353,,234,71,0,16,22,3,30,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"VANADIUM(IV,V) OXIDE",012037-42-2,72720435,dioxovanadiooxy(dioxo)vanadium;tetrakis(dioxovanadium),O=[V]=O.O=[V]=O.O=[V]=O.O=[V]=O.O=[V](=O)O[V](=O)=O,InChI=1S/13O.6V,FTGZPVKRMCXHDZ-UHFFFAOYSA-N,O13V6,513.64,513.597636,,214,142,0,0,13,0,19,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"2,2-DICHLOROETHANOL",000598-38-9,11718,"2,2-dichloroethanol",C(C(Cl)Cl)O,"InChI=1S/C2H4Cl2O/c3-2(4)1-5/h2,5H,1H2",IDJOCJAIQSKSOP-UHFFFAOYSA-N,C2H4Cl2O,114.96,113.9639201,0.4,20.2,21,0,1,1,1,5,"173 °F (NTP, 1992)","295 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
OXIMINO METHOMYL,013749-94-5,5365286,methyl (1E)-N-hydroxyethanimidothioate,C/C(=N\O)/SC,"InChI=1S/C3H7NOS/c1-3(4-5)6-2/h5H,1-2H3/b4-3+",TYEVWCPZVQACAE-ONEGZZNKSA-N,C3H7NOS,105.16,105.024835,0.9,57.9,61,0,1,3,1,6,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CHROMIUM(II) CHLORIDE,010049-05-5,24871,dichlorochromium,Cl[Cr]Cl,InChI=1S/2ClH.Cr/h2*1H;/q;;+2/p-2,XBWRJSSJWDOUSJ-UHFFFAOYSA-L,Cl2Cr,122.9,121.87821,,0,2,0,0,0,0,3,,1200 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LEUPEPTIN HEMISULFATE FROM MICROBIAL SOURCE,103476-89-7,2733491,bis((2S)-2-acetamido-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide);sulfuric acid,CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C=O)NC(=O)C.CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C=O)NC(=O)C.OS(=O)(=O)O,"InChI=1S/2C20H38N6O4.H2O4S/c2*1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22;1-5(2,3)4/h2*11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23);(H2,1,2,3,4)/t2*15-,16-,17-;/m00./s1",CIPMKIHUGVGQTG-VFFZMTJFSA-N,C40H78N12O12S,951.2,950.5582871,,421,683,0,12,14,28,65,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"TUNGSTIC ACID, SODIUM SALT, DIHYDRATE",010213-10-2,150191,disodium;dioxido(dioxo)tungsten;dihydrate,O.O.[O-][W](=O)(=O)[O-].[Na+].[Na+],InChI=1S/2Na.2H2O.4O.W/h;;2*1H2;;;;;/q2*+1;;;;;2*-1;,WPZFLQRLSGVIAA-UHFFFAOYSA-N,H4Na2O6W,329.85,329.93126,,82.3,62,0,2,6,0,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-DIBROMOTETRACHLOROETHANE",000630-25-1,69426,"1,2-dibromo-1,1,2,2-tetrachloroethane",C(C(Cl)(Cl)Br)(Cl)(Cl)Br,"InChI=1S/C2Br2Cl4/c3-1(5,6)2(4,7)8",WJUKOGPNGRUXMG-UHFFFAOYSA-N,C2Br2Cl4,325.6,325.70709,4.3,0,78,0,0,0,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2-DIETHYL-1,3-PROPANEDIOL",000115-76-4,8284,"2,2-diethylpropane-1,3-diol",CCC(CC)(CO)CO,"InChI=1S/C7H16O2/c1-3-7(4-2,5-8)6-9/h8-9H,3-6H2,1-2H3",XRVCFZPJAHWYTB-UHFFFAOYSA-N,C7H16O2,132.2,132.1150297,0.8,40.5,61,0,2,2,4,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"(Z)-2-BUTENE-1,4-DIOL",006117-80-2,643790,"(Z)-but-2-ene-1,4-diol",C(/C=C\CO)O,"InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1-",ORTVZLZNOYNASJ-UPHRSURJSA-N,C4H8O2,88.11,88.05242949,-0.8,40.5,34,0,2,2,2,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-CANAVANINE,000543-38-4,439202,(2S)-2-amino-4-(diaminomethylideneamino)oxybutanoic acid,C(CON=C(N)N)[C@@H](C(=O)O)N,"InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1",FSBIGDSBMBYOPN-VKHMYHEASA-N,C5H12N4O3,176.17,176.0909403,-4.8,137,178,0,4,5,5,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
LITHIUM METAPHOSPHATE,013762-75-9,23667996,,[Li+].[O-]P(=O)=O,"InChI=1S/Li.HO3P/c;1-4(2)3/h;(H,1,2,3)/q+1;/p-1",MRVHOJHOBHYHQL-UHFFFAOYSA-M,LiO3P,85.9,85.97450929,,57.2,49,0,0,3,0,5,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DISODIUM TARTRATE,000868-18-8,162637,"disodium;(2R,3R)-2,3-dihydroxybutanedioate",[C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O.[Na+].[Na+],"InChI=1S/C4H6O6.2Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2/t1-,2-;;/m1../s1",HELHAJAZNSDZJO-OLXYHTOASA-L,C4H4Na2O6,194.05,193.9803264,,121,123,0,2,6,1,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
HEPTYL CYANIDE,000124-12-9,31286,octanenitrile,CCCCCCCC#N,"InChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h2-7H2,1H3",YSIMAPNUZAVQER-UHFFFAOYSA-N,C8H15N,125.21,125.1204495,2.8,23.8,88,0,0,1,5,9,,,1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CYSTAMINE DIHYDROCHLORIDE,000056-17-7,5941,2-(2-aminoethyldisulfanyl)ethanamine;dihydrochloride,C(CSSCCN)N.Cl.Cl,InChI=1S/C4H12N2S2.2ClH/c5-1-3-7-8-4-2-6;;/h1-6H2;2*1H,YUFRRMZSSPQMOS-UHFFFAOYSA-N,C4H14Cl2N2S2,225.2,223.9975462,,103,37,0,4,4,5,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BARIUM CARBONATE-13C,051956-33-3,12598096,barium(2+);oxo(113C)methanediolate,[13C](=O)([O-])[O-].[Ba+2],"InChI=1S/CH2O3.Ba/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2/i1+1;",AYJRCSIUFZENHW-YTBWXGASSA-L,CBaO3,198.33,198.893346,,63.2,18,0,0,3,0,5,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DL-CYSTINE,000923-32-0,595,2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid,C(C(C(=O)O)N)SSCC(C(=O)O)N,"InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)",LEVWYRKDKASIDU-UHFFFAOYSA-N,C6H12N2O4S2,240.3,240.0238492,-6.3,177,192,0,4,8,7,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BIS(2-HYDROXYETHYL)DIMETHYLAMMONIUM CHLORIDE,038402-02-7,162303,bis(2-hydroxyethyl)-dimethylazanium chloride,C[N+](C)(CCO)CCO.[Cl-],"InChI=1S/C6H16NO2.ClH/c1-7(2,3-5-8)4-6-9;/h8-9H,3-6H2,1-2H3;1H/q+1;/p-1",OPVXPOIGBSHXNM-UHFFFAOYSA-M,C6H16ClNO2,169.65,169.0869564,,40.5,65,0,2,3,4,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CESIUM ACETATE,003396-11-0,5152919,cesium acetate,CC(=O)[O-].[Cs+],"InChI=1S/C2H4O2.Cs/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",ZOAIGCHJWKDIPJ-UHFFFAOYSA-M,C2H3CsO2,191.95,191.9187563,,40.1,34,0,0,2,0,5,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,1,0
COPPER(II) NITRATE,013478-38-1,9839123,copper;dinitrate;hexahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[Cu+2],InChI=1S/Cu.2NO3.6H2O/c;2*2-1(3)4;;;;;;/h;;;6*1H2/q+2;2*-1;;;;;;,FTXJFNVGIDRLEM-UHFFFAOYSA-N,CuH12N2O12,295.65,294.968621,,132,18,0,6,12,0,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONE",001118-71-4,70700,"2,2,6,6-tetramethylheptane-3,5-dione",CC(C)(C)C(=O)CC(=O)C(C)(C)C,"InChI=1S/C11H20O2/c1-10(2,3)8(12)7-9(13)11(4,5)6/h7H2,1-6H3",YRAJNWYBUCUFBD-UHFFFAOYSA-N,C11H20O2,184.27,184.1463299,2.6,34.1,189,0,0,2,4,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FERROUS SULFATE,007720-78-7,24393,iron(2+) sulfate,[O-]S(=O)(=O)[O-].[Fe+2],"InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",BAUYGSIQEAFULO-UHFFFAOYSA-L,FeO4S,151.91,151.886665,,88.6,62,0,0,4,0,6,,> 300 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
BUTYLUREA,000592-31-4,11595,butylurea,CCCCNC(=O)N,"InChI=1S/C5H12N2O/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)",CNWSQCLBDWYLAN-UHFFFAOYSA-N,C5H12N2O,116.16,116.094963,0.4,55.1,72,0,2,1,3,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
VANADIUM NITRIDE,024646-85-3,90570,azanylidynevanadium,N#[V],InChI=1S/N.V,SKKMWRVAJNPLFY-UHFFFAOYSA-N,NV,64.948,64.947032,,23.8,10,0,0,1,0,2,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
D-GLUCOSE 6-PHOSPHATE DIPOTASSIUM HYDRATE,005996-17-8,111126,"dipotassium;[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] phosphate",C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)([O-])[O-].[K+].[K+],"InChI=1S/C6H13O9P.2K/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;;/h1,3-6,8-11H,2H2,(H2,12,13,14);;/q;2*+1/p-2/t3-,4+,5+,6+;;/m0../s1",BWHWCIODKVRLNE-FAOVPRGRSA-L,C6H11K2O9P,336.32,335.9414819,,170,251,0,4,9,6,18,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM HEXACHLOROIRIDATE (III),014024-41-0,159716,tripotassium;iridium(3+);hexachloride,[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[K+].[K+].[K+].[Ir+3],InChI=1S/6ClH.Ir.3K/h6*1H;;;;/q;;;;;;+3;3*+1/p-6,NZKWZUOYGAKOQC-UHFFFAOYSA-H,Cl6IrK3,522.2,521.66421,,0,0,0,0,6,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BARIUM 2,4-PENTANEDIONATE",012084-29-6,5486157,barium(2+);bis((Z)-4-oxopent-2-en-2-olate),C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Ba+2],"InChI=1S/2C5H8O2.Ba/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2/b2*4-3-;",DJHZYHWLGNJISM-FDGPNNRMSA-L,C10H14BaO4,335.54,335.994456,,80.3,90,0,0,4,2,15,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
OCTACOSANOIC ACID,000506-48-9,10470,octacosanoic acid,CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,"InChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-27H2,1H3,(H,29,30)",UTOPWMOLSKOLTQ-UHFFFAOYSA-N,C28H56O2,424.7,424.428031,12.9,37.3,327,0,1,2,26,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIETHYLDITHIOCARBAMIC ACID SODIUM SALT,000148-18-5,533728,"sodium N,N-diethylcarbamodithioate",CCN(CC)C(=S)[S-].[Na+],"InChI=1S/C5H11NS2.Na/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);/q;+1/p-1",IOEJYZSZYUROLN-UHFFFAOYSA-M,C5H10NNaS2,171.3,171.015236,,36.3,83,0,0,2,2,9,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIHEXYLAMINE,000102-86-3,66022,"N,N-dihexylhexan-1-amine",CCCCCCN(CCCCCC)CCCCCC,"InChI=1S/C18H39N/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3",DIAIBWNEUYXDNL-UHFFFAOYSA-N,C18H39N,269.5,269.3082502,7.3,3.2,127,0,0,1,15,19,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
1-BROMO-5-CHLOROPENTANE,054512-75-3,96070,1-bromo-5-chloropentane,C(CCCl)CCBr,InChI=1S/C5H10BrCl/c6-4-2-1-3-5-7/h1-5H2,PHHNNDKXQVKJEP-UHFFFAOYSA-N,C5H10BrCl,185.49,183.96544,2.6,0,31,0,0,0,4,7,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
1-CHLORO-5-HYDROXYPENTANE,005259-98-3,78915,5-chloropentan-1-ol,C(CCO)CCCl,"InChI=1S/C5H11ClO/c6-4-2-1-3-5-7/h7H,1-5H2",DCBJCKDOZLTTDW-UHFFFAOYSA-N,C5H11ClO,122.59,122.0498427,1.2,20.2,31,0,1,1,4,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COBALT(II) THIOCYANATE,003017-60-5,18174,cobalt(2+) dithiocyanate,C(#N)[S-].C(#N)[S-].[Co+2],InChI=1S/2CHNS.Co/c2*2-1-3;/h2*3H;/q;;+2/p-2,INDBQWVYFLTCFF-UHFFFAOYSA-L,C2CoN2S2,175.1,174.883484,,49.6,31,0,0,4,0,7,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
OXALIC ACID,000144-62-7,971,oxalic acid,C(=O)(C(=O)O)O,"InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)",MUBZPKHOEPUJKR-UHFFFAOYSA-N,C2H2O4,90.03,89.99530854,-0.3,74.6,71,0,2,4,1,6,,"Sublimes (NIOSH, 2024)",0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
LITHIUM IODIDE HYDRATE,085017-80-7,23688290,lithium;iodide;hydrate,[Li+].O.[I-],InChI=1S/HI.Li.H2O/h1H;;1H2/q;+1;/p-1,WAZWGFFJLSIDMX-UHFFFAOYSA-M,H2ILiO,151.9,151.93104,,1,2,0,1,2,0,3,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIETHYLACETAMIDE",000685-91-6,12703,"N,N-diethylacetamide",CCN(CC)C(=O)C,"InChI=1S/C6H13NO/c1-4-7(5-2)6(3)8/h4-5H2,1-3H3",AJFDBNQQDYLMJN-UHFFFAOYSA-N,C6H13NO,115.17,115.099714,0.3,20.3,76,0,0,1,2,8,170 °F,185.5 °C,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BEHENIC ACID METHYL ACID,000929-77-1,13584,methyl docosanoate,CCCCCCCCCCCCCCCCCCCCCC(=O)OC,"InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3",QSQLTHHMFHEFIY-UHFFFAOYSA-N,C23H46O2,354.6,354.3497807,11.2,26.3,263,0,0,2,21,25,,224-225 °C @ 15 MM HG,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
ZINC TITANIUM OXIDE,012036-43-0,166015,zinc;tris(oxygen(2-));titanium(4+),[O-2].[O-2].[O-2].[Ti+4].[Zn+2],InChI=1S/3O.Ti.Zn/q3*-2;+4;+2,JRFBNCLFYLUNCE-UHFFFAOYSA-N,O3TiZn,161.2,159.861826,,3,0,0,0,3,0,5,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MANGANESE TELLURIDE,012032-89-2,82829,bis(tellanylidene)manganese,[Mn](=[Te])=[Te],InChI=1S/Mn.2Te,KDJKBQYOEWVJGP-UHFFFAOYSA-N,MnTe2,310.1,312.748727,,0,18,0,0,0,0,3,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
INDIUM ANTIMONIDE,001312-41-0,3468413,indiganylidynestibane,[In]#[Sb],InChI=1S/In.Sb,WPYVAWXEWQSOGY-UHFFFAOYSA-N,InSb,236.578,235.80769,,0,10,0,0,0,0,2,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
METHYL UNDECYLENATE,000111-81-9,8138,methyl undec-10-enoate,COC(=O)CCCCCCCCC=C,"InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3",KISVAASFGZJBCY-UHFFFAOYSA-N,C12H22O2,198.3,198.1619799,4.2,26.3,152,0,0,2,10,14,,245.00 to 248.00 °C. @ 760.00 mm Hg,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CHROMIUM(III) SULFIDE,012018-22-3,159397,bis(chromium(3+));trisulfide,[S-2].[S-2].[S-2].[Cr+3].[Cr+3],InChI=1S/2Cr.3S/q2*+3;3*-2,DBULDCSVZCUQIR-UHFFFAOYSA-N,Cr2S3,200.2,199.797223,,3,0,0,0,3,0,5,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
CADMIUM TUNGSTATE,007790-85-4,3080645,cadmium(2+);tetrakis(oxygen(2-));tungsten,[O-2].[O-2].[O-2].[O-2].[Cd+2].[W],InChI=1S/Cd.4O.W/q+2;4*-2;,HUTAIGWLQIUEPI-UHFFFAOYSA-N,CdO4W-6,360.25,361.833957,,4,0,-6,0,4,0,6,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,2,3,3,3-PENTAFLUORO-1-PROPANOL",000422-05-9,9872,"2,2,3,3,3-pentafluoropropan-1-ol",C(C(C(F)(F)F)(F)F)O,"InChI=1S/C3H3F5O/c4-2(5,1-9)3(6,7)8/h9H,1H2",PSQZJKGXDGNDFP-UHFFFAOYSA-N,C3H3F5O,150.05,150.0104055,1.2,20.2,94,0,1,6,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIMETHYLAMINE HYDROCHLORIDE,000506-59-2,10473,N-methylmethanamine;hydrochloride,CNC.Cl,"InChI=1S/C2H7N.ClH/c1-3-2;/h3H,1-2H3;1H",IQDGSYLLQPDQDV-UHFFFAOYSA-N,C2H8ClN,81.54,81.034527,,12,2,0,2,1,0,4,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,3-PROPANETRIOL MONOACETATE",026446-35-5,33510,"2,3-dihydroxypropyl acetate",CC(=O)OCC(CO)O,"InChI=1S/C5H10O4/c1-4(7)9-3-5(8)2-6/h5-6,8H,2-3H2,1H3",KMZHZAAOEWVPSE-UHFFFAOYSA-N,C5H10O4,134.13,134.0579088,-1,66.8,91,0,2,4,4,9,"greater than 201.2 °F (NTP, 1992)","316 °F at 16.5 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-AMINOETHYL HYDROGEN SULFATE,000926-39-6,70223,2-aminoethyl hydrogen sulfate,C(COS(=O)(=O)O)N,"InChI=1S/C2H7NO4S/c3-1-2-7-8(4,5)6/h1-3H2,(H,4,5,6)",WSYUEVRAMDSJKL-UHFFFAOYSA-N,C2H7NO4S,141.15,141.0095789,-4.1,98,133,0,2,5,3,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIALLYL ADIPATE,002998-04-1,18139,bis(prop-2-enyl) hexanedioate,C=CCOC(=O)CCCCC(=O)OCC=C,"InChI=1S/C12H18O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-4H,1-2,5-10H2",FPODCVUTIPDRTE-UHFFFAOYSA-N,C12H18O4,226.27,226.1205091,1.9,52.6,219,0,0,4,11,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-BROMO-1-CHLOROPROPANE,003017-95-6,18175,2-bromo-1-chloropropane,CC(CCl)Br,"InChI=1S/C3H6BrCl/c1-3(4)2-5/h3H,2H2,1H3",PUJJZGFFAQHYEX-UHFFFAOYSA-N,C3H6BrCl,157.44,155.93414,2,0,22,0,0,0,1,5,,"244 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMMONIUM BIS(OXALATO)OXOTITANIUM(IV) MONOHYDRATE,010580-03-7,25022221,diazanium;oxalate;titanium(4+),C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[NH4+].[NH4+].[Ti+4],"InChI=1S/3C2H2O4.2H3N.Ti/c3*3-1(4)2(5)6;;;/h3*(H,3,4)(H,5,6);2*1H3;/q;;;;;+4/p-4",DDDMZPWEAOSVIF-UHFFFAOYSA-J,C6H8N2O12Ti,348,347.9556644,,243,60,0,2,12,0,21,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CETYL BETAINE,000693-33-4,93554,2-[hexadecyl(dimethyl)azaniumyl]acetate,CCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)[O-],"InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2,3)19-20(22)23/h4-19H2,1-3H3",TYIOVYZMKITKRO-UHFFFAOYSA-N,C20H41NO2,327.5,327.3137296,8.3,40.1,271,0,0,2,16,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
DODECYLAMINE ACETATE,002016-56-0,263045,acetic acid;dodecan-1-amine,CCCCCCCCCCCCN.CC(=O)O,"InChI=1S/C12H27N.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2(3)4/h2-13H2,1H3;1H3,(H,3,4)",HBRNMIYLJIXXEE-UHFFFAOYSA-N,C14H31NO2,245.4,245.2354792,,63.3,112,0,2,3,10,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIHEXYL SODIUM SULFOSUCCINATE,003006-15-3,516989,"sodium 1,4-dihexoxy-1,4-dioxobutane-2-sulfonate",CCCCCCOC(=O)CC(C(=O)OCCCCCC)S(=O)(=O)[O-].[Na+],"InChI=1S/C16H30O7S.Na/c1-3-5-7-9-11-22-15(17)13-14(24(19,20)21)16(18)23-12-10-8-6-4-2;/h14H,3-13H2,1-2H3,(H,19,20,21);/q;+1/p-1",WVFDILODTFJAPA-UHFFFAOYSA-M,C16H29NaO7S,388.5,388.1531687,,118,460,0,0,7,16,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMMONIUM ETHANEDIOATE,014258-49-2,61721,azane;oxalic acid,C(=O)(C(=O)O)O.N,"InChI=1S/C2H2O4.H3N/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);1H3",AJGPQPPJQDDCDA-UHFFFAOYSA-N,C2H5NO4,107.07,107.0218576,,75.6,71,0,3,5,1,7,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
YTTRIUM VANADATE,013566-12-6,83578,trioxido(oxo)vanadium;yttrium(3+),[O-][V](=O)([O-])[O-].[Y+3],InChI=1S/4O.V.Y/q;3*-1;;+3,QWVYNEUUYROOSZ-UHFFFAOYSA-N,O4VY,203.845,203.829454,,86.3,36,0,0,4,0,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIMETHYL OCTYNEDIOL,000078-66-0,6546,"3,6-dimethyloct-4-yne-3,6-diol",CCC(C)(C#CC(C)(CC)O)O,"InChI=1S/C10H18O2/c1-5-9(3,11)7-8-10(4,12)6-2/h11-12H,5-6H2,1-4H3",NUYADIDKTLPDGG-UHFFFAOYSA-N,C10H18O2,170.25,170.1306798,1.2,40.5,190,0,2,2,4,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
POLYOXYETHYLENE MONOLAURATE,009004-81-3,62699,2-hydroxyethyl dodecanoate,CCCCCCCCCCCC(=O)OCCO,"InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-14(16)17-13-12-15/h15H,2-13H2,1H3",CTXGTHVAWRBISV-UHFFFAOYSA-N,C14H28O3,244.37,244.2038448,4.6,46.5,169,0,1,3,13,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IMINODIACETONITRILE,000628-87-5,69413,2-(cyanomethylamino)acetonitrile,C(C#N)NCC#N,"InChI=1S/C4H5N3/c5-1-3-7-4-2-6/h7H,3-4H2",BSRDNMMLQYNQQD-UHFFFAOYSA-N,C4H5N3,95.1,95.04834717,-0.6,59.6,104,0,1,3,2,7,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
LANTHANUM OXYSULFIDE,012031-43-5,165994,tetrakis(lanthanum(3+));tris(oxygen(2-));trisulfide,[O-2].[O-2].[O-2].[S-2].[S-2].[S-2].[La+3].[La+3].[La+3].[La+3],InChI=1S/4La.3O.3S/q4*+3;6*-2,DPGWHJLITFCWGW-UHFFFAOYSA-N,La4O3S3,699.8,699.52641,,6,0,0,0,6,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COPPER (II) 2-ETHYLHEXANOATE,000149-11-1,94139,copper bis(2-ethylhexanoate),CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Cu+2],"InChI=1S/2C8H16O2.Cu/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",SEKCXMNFUDONGJ-UHFFFAOYSA-L,C16H30CuO4,349.95,349.144007,,80.3,93,0,0,4,8,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LITHIUM MANGANESE(IV) OXIDE,012057-17-9,44148764,lithium;manganese;manganese(3+);tetrakis(oxygen(2-)),[Li+].[O-2].[O-2].[O-2].[O-2].[Mn].[Mn+3],InChI=1S/Li.2Mn.4O/q+1;;+3;4*-2,CJYZTOPVWURGAI-UHFFFAOYSA-N,LiMn2O4-4,180.8,180.871748,,4,0,-4,0,4,0,7,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"N,N-DIMETHYLGLYCINE",001118-68-9,673,2-(dimethylamino)acetic acid,CN(C)CC(=O)O,"InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)",FFDGPVCHZBVARC-UHFFFAOYSA-N,C4H9NO2,103.12,103.0633285,-2.9,40.5,70,0,1,3,2,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
5-AMINOVALERIC ACID,000660-88-8,138,5-aminopentanoic acid,C(CCN)CC(=O)O,"InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)",JJMDCOVWQOJGCB-UHFFFAOYSA-N,C5H11NO2,117.15,117.0789786,-2.6,63.3,72,0,2,3,4,8,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-CHLORO-2,2-DIFLUOROACETAMIDE",000354-28-9,67715,"2-chloro-2,2-difluoroacetamide",C(=O)(C(F)(F)Cl)N,"InChI=1S/C2H2ClF2NO/c3-2(4,5)1(6)7/h(H2,6,7)",PSAKKOKLSDIKEK-UHFFFAOYSA-N,C2H2ClF2NO,129.49,128.9792977,0.5,43.1,93,0,1,3,1,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-L-CYSTEINYL-GLYCINE,019246-18-5,439498,2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]acetic acid,C([C@@H](C(=O)NCC(=O)O)N)S,"InChI=1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9)/t3-/m0/s1",ZUKPVRWZDMRIEO-VKHMYHEASA-N,C5H10N2O3S,178.21,178.0412134,-3.7,93.4,162,0,4,5,4,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"STRONTIUM 2,4-PENTANEDIONATE",012193-47-4,5486159,strontium bis((Z)-4-oxopent-2-en-2-olate),C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Sr+2],"InChI=1S/2C5H8O2.Sr/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2/b2*4-3-;",UMBFGWVRZIHXCK-FDGPNNRMSA-L,C10H14O4Sr,285.84,285.9948212,,80.3,90,0,0,4,2,15,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-UNDECENE,000821-95-4,13190,undec-1-ene,CCCCCCCCCC=C,"InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3",DCTOHCCUXLBQMS-UHFFFAOYSA-N,C11H22,154.29,154.1721507,6.2,0,74,0,0,0,8,11,"160 °F (USCG, 1999)","378.9 °F at 760 mmHg (USCG, 1999)",0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
VANADYL SULFATE PENTAHYDRATE,012439-96-2,167150,oxovanadium(2+);sulfate;pentahydrate,O.O.O.O.O.[O-]S(=O)(=O)[O-].O=[V+2],"InChI=1S/H2O4S.5H2O.O.V/c1-5(2,3)4;;;;;;;/h(H2,1,2,3,4);5*1H2;;/q;;;;;;;+2/p-2",YGYBXHQARYQUAY-UHFFFAOYSA-L,H10O10SV,253.08,252.943425,,111,64,0,5,10,0,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIISOPROPYL PHOSPHITE,001809-20-7,3072,2-propan-2-yloxyphosphonoyloxypropane,CC(C)OP(=O)OC(C)C,"InChI=1S/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-6,10H,1-4H3",BLKXLEPPVDUHBY-UHFFFAOYSA-N,C6H15O3P,166.16,166.0758813,0.4,35.5,99,0,0,3,4,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIPOTASSIUM DIHYDROGEN ETHYLENEDIAMINETETRAACETATE,002001-94-7,16156,dipotassium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate,C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[K+].[K+],"InChI=1S/C10H16N2O8.2K/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;2*+1/p-2",QLBHNVFOQLIYTH-UHFFFAOYSA-L,C10H14K2N2O8,368.42,368.0024284,,161,336,0,2,10,9,22,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,1
12-BROMO-1-DODECANOL,003344-77-2,137895,12-bromododecan-1-ol,C(CCCCCCBr)CCCCCO,"InChI=1S/C12H25BrO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h14H,1-12H2",ASIDMJNTHJYVQJ-UHFFFAOYSA-N,C12H25BrO,265.23,264.10888,5.5,20.2,96,0,1,1,11,14,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,10-DIBROMODECANE",004101-68-2,221483,"1,10-dibromodecane",C(CCCCCBr)CCCCBr,InChI=1S/C10H20Br2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2,GTQHJCOHNAFHRE-UHFFFAOYSA-N,C10H20Br2,300.07,299.99113,5.8,0,64,0,0,0,9,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,5-PENTANEDITHIOL",000928-98-3,70236,"pentane-1,5-dithiol",C(CCS)CCS,"InChI=1S/C5H12S2/c6-4-2-1-3-5-7/h6-7H,1-5H2",KMTUBAIXCBHPIZ-UHFFFAOYSA-N,C5H12S2,136.3,136.0380427,1.9,2,25,0,2,2,4,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM TUNGSTATE,007790-60-5,3084032,dipotassium;dioxido(dioxo)tungsten,[O-][W](=O)(=O)[O-].[K+].[K+],InChI=1S/2K.4O.W/q2*+1;;;2*-1;,AAQNGTNRWPXMPB-UHFFFAOYSA-N,K2O4W,326.03,325.858005,,80.3,62,0,0,4,0,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
INDIUM TELLURIDE,001312-45-4,6383318,,[In]=[Te].[In]=[Te].[Te],InChI=1S/2In.3Te,TWZRXWXUSGBTAD-UHFFFAOYSA-N,In2Te3,612.4,617.524664,,0,6,0,0,0,0,5,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NICKEL CARBONATE MONOHYDRATE,051944-07-1,19607392,nickel(2+);carbonate;hydrate,C(=O)([O-])[O-].O.[Ni+2],"InChI=1S/CH2O3.Ni.H2O/c2-1(3)4;;/h(H2,2,3,4);;1H2/q;+2;/p-2",ZBQNIFVEJKLWAA-UHFFFAOYSA-L,CH2NiO4,136.72,135.93065,,64.2,18,0,1,4,0,6,,,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
CESIUM FORMATE,003495-36-1,23663999,cesium formate,C(=O)[O-].[Cs+],"InChI=1S/CH2O2.Cs/c2-1-3;/h1H,(H,2,3);/q;+1/p-1",ATZQZZAXOPPAAQ-UHFFFAOYSA-M,CHCsO2,177.923,177.9031062,,40.1,13,0,0,2,0,4,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1
DL-CYSTEINE,003374-22-9,594,2-amino-3-sulfanylpropanoic acid,C(C(C(=O)O)N)S,"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)",XUJNEKJLAYXESH-UHFFFAOYSA-N,C3H7NO2S,121.16,121.0197496,-2.5,64.3,75,0,3,4,2,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SAMARIUM COBALT (2:7),012305-84-9,14441003,cobalt;samarium,[Co].[Co].[Co].[Co].[Co].[Co].[Co].[Sm].[Sm],InChI=1S/7Co.2Sm,XOMMEFOCIKLJGT-UHFFFAOYSA-N,Co7Sm2,713.3,718.37431,,0,0,0,0,0,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BARIUM NITRITE HYDRATE,115216-77-8,166820,barium(2+) dinitrite,N(=O)[O-].N(=O)[O-].[Ba+2],"InChI=1S/Ba.2HNO2/c;2*2-1-3/h;2*(H,2,3)/q+2;;/p-2",GJTDJAPHKDIQIQ-UHFFFAOYSA-L,BaN2O4,229.34,229.891054,,105,7,0,0,6,0,7,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
YTTERBIUM ACETYLACETONATE HYDRATE,014284-98-1,4416696,tris(4-hydroxypent-3-en-2-one);ytterbium,CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.[Yb],"InChI=1S/3C5H8O2.Yb/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;",KHQNDTAJLAVGMH-UHFFFAOYSA-N,C15H24O6Yb,473.4,474.096156,,112,380,0,3,6,3,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
AMIFOSTINE,020537-88-6,2141,2-(3-aminopropylamino)ethylsulfanylphosphonic acid,C(CN)CNCCSP(=O)(O)O,"InChI=1S/C5H15N2O3PS/c6-2-1-3-7-4-5-12-11(8,9)10/h7H,1-6H2,(H2,8,9,10)",JKOQGQFVAUAYPM-UHFFFAOYSA-N,C5H15N2O3PS,214.23,214.0541005,-4.5,121,152,0,4,6,7,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
AMMONIUM HEXAFLUOROTITANATE,016962-40-6,11321546,diazanium;hexafluorotitanium(2-),[NH4+].[NH4+].F[Ti-2](F)(F)(F)(F)F,InChI=1S/6FH.2H3N.Ti/h6*1H;2*1H3;/q;;;;;;;;+4/p-4,NMGYKLMMQCTUGI-UHFFFAOYSA-J,F6H8N2Ti,197.935,198.0071079,,2,62,0,2,7,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,8-OCTANEDITHIOL",001191-62-4,14493,"octane-1,8-dithiol",C(CCCCS)CCCS,"InChI=1S/C8H18S2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2",PGTWZHXOSWQKCY-UHFFFAOYSA-N,C8H18S2,178.4,178.0849929,3.3,2,47,0,2,2,7,10,,142.00 °C. @ 30.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"LANTHANUM 2,4-PENTANEDIONATE, HYDRATE",064424-12-0,146159401,tris(4-hydroxypent-3-en-2-one);lanthanum;dihydrate,CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.O.O.[La],"InChI=1S/3C5H8O2.La.2H2O/c3*1-4(6)3-5(2)7;;;/h3*3,6H,1-2H3;;2*1H2",DTGMYUJFAPMLCR-UHFFFAOYSA-N,C15H28LaO8,475.28,475.084781,,114,380,0,5,8,3,24,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HAFNIUM TELLURIDE,039082-23-0,90471877,bis(tellanylidene)hafnium,[Te]=[Hf]=[Te],InChI=1S/Hf.2Te,BCMXGUYIVFZMCT-UHFFFAOYSA-N,HfTe2,433.7,437.75724,,0,18,0,0,0,0,3,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ZIRCONIUM TELLURIDE,032321-65-6,122585,bis(tellanylidene)zirconium,[Zr](=[Te])=[Te],InChI=1S/2Te.Zr,WGDSTGHBOKMWCA-UHFFFAOYSA-N,Te2Zr,346.4,347.715383,,0,18,0,0,0,0,3,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
COBALT PHOSPHIDE,012134-02-0,166621,tris(cobalt(2+));bis(phosphorus(3-)),[P-3].[P-3].[Co+2].[Co+2].[Co+2],InChI=1S/3Co.2P/q3*+2;2*-3,YYHKCTWKZVGLSL-UHFFFAOYSA-N,Co3P2,238.74711,238.7471,,0,0,0,0,2,0,5,,,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0
"2,2,2-TRIFLUOROACETAMIDE",000354-38-1,67717,"2,2,2-trifluoroacetamide",C(=O)(C(F)(F)F)N,"InChI=1S/C2H2F3NO/c3-2(4,5)1(6)7/h(H2,6,7)",NRKYWOKHZRQRJR-UHFFFAOYSA-N,C2H2F3NO,113.04,113.0088482,0.1,43.1,85,0,1,4,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
D-FRUCTOSE 1-PHOSPHATE BARIUM,053823-70-4,104618,"barium(2+);[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl] phosphate",C([C@H]([C@H]([C@@H](C(=O)COP(=O)([O-])[O-])O)O)O)O.[Ba+2],"InChI=1S/C6H13O9P.Ba/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;/h3,5-8,10-11H,1-2H2,(H2,12,13,14);/q;+2/p-2/t3-,5-,6-;/m1./s1",PVYXSCGRJSOHGH-BAOOBMCLSA-L,C6H11BaO9P,395.45,395.919316,,170,262,0,4,9,6,17,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
VANADYL SULFATE HYDRATE,123334-20-3,16211496,oxovanadium(2+);sulfate;hydrate,O.[O-]S(=O)(=O)[O-].O=[V+2],"InChI=1S/H2O4S.H2O.O.V/c1-5(2,3)4;;;/h(H2,1,2,3,4);1H2;;/q;;;+2/p-2",DKCWBFMZNUOFEM-UHFFFAOYSA-L,H2O6SV,181.02,180.901167,,107,64,0,1,6,0,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BARIUM STRONTIUM NIOBIUM OXIDE,037185-09-4,21862943,strontium;barium(2+);tetrakis(oxido(dioxo)niobium),[O-][Nb](=O)=O.[O-][Nb](=O)=O.[O-][Nb](=O)=O.[O-][Nb](=O)=O.[Sr+2].[Ba+2],InChI=1S/Ba.4Nb.12O.Sr/q+2;;;;;;;;;;;;;4*-1;+2,DKDQMLPMKQLBHQ-UHFFFAOYSA-N,BaNb4O12Sr,788.57,789.37533,,229,36,0,0,12,0,18,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-MERCAPTOPROPYLMETHYLDIMETHOXYSILANE,031001-77-1,2759524,3-[dimethoxy(methyl)silyl]propane-1-thiol,CO[Si](C)(CCCS)OC,"InChI=1S/C6H16O2SSi/c1-7-10(3,8-2)6-4-5-9/h9H,4-6H2,1-3H3",IKYAJDOSWUATPI-UHFFFAOYSA-N,C6H16O2SSi,180.34,180.0640275,,19.5,85,0,1,3,5,10,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
BARIUM NITRITE,007787-38-4,6096945,barium(2+);dinitrite;hydrate,N(=O)[O-].N(=O)[O-].O.[Ba+2],"InChI=1S/Ba.2HNO2.H2O/c;2*2-1-3;/h;2*(H,2,3);1H2/q+2;;;/p-2",WOXYOIUNJIARCN-UHFFFAOYSA-L,BaH2N2O5,247.35,247.901618,,106,7,0,1,7,0,8,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"DODECYLDIMETHYL (3-SULFOPROPYL)AMMONIUM HYDROXIDE, INNER SALT",014933-08-5,84704,dodecyl-dimethyl-(3-sulfopropyl)azanium,CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O,"InChI=1S/C17H37NO3S/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-22(19,20)21/h4-17H2,1-3H3/p+1",IZWSFJTYBVKZNK-UHFFFAOYSA-O,C17H38NO3S+,336.6,336.2572403,5.1,62.8,347,1,1,3,15,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LITHIUM BROMIDE HYDRATE,085017-82-9,23702478,lithium;bromide;hydrate,[Li+].O.[Br-],InChI=1S/BrH.Li.H2O/h1H;;1H2/q;+1;/p-1,IPLONMMJNGTUAI-UHFFFAOYSA-M,BrH2LiO,104.9,103.94491,,1,2,0,1,2,0,3,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CALCIUM THIOCYANATE,002092-16-2,159641,calcium dithiocyanate,C(#N)[S-].C(#N)[S-].[Ca+2],InChI=1S/2CHNS.Ca/c2*2-1-3;/h2*3H;/q;;+2/p-2,RLDQYSHDFVSAPL-UHFFFAOYSA-L,C2CaN2S2,156.2,155.9128812,,49.6,31,0,0,4,0,7,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"MANGANESE (III) 2,4-PENTANEDIONATE",014284-89-0,11046384,tris((Z)-4-hydroxypent-3-en-2-one);manganese,C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.[Mn],"InChI=1S/3C5H8O2.Mn/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/b3*4-3-;",RDMHXWZYVFGYSF-LNTINUHCSA-N,C15H24MnO6,355.28,355.095332,,112,380,0,3,6,3,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(2-MERCAPTOPROPIONYL)GLYCINE,001953-02-2,5483,2-(2-sulfanylpropanoylamino)acetic acid,CC(C(=O)NCC(=O)O)S,"InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)",YTGJWQPHMWSCST-UHFFFAOYSA-N,C5H9NO3S,163.2,163.0303143,-0.1,67.4,148,0,3,4,3,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"N,N,N',N'-TETRAOCTYLDIGLYCOLAMIDE",342794-43-8,70700400,"2-[2-(dioctylamino)-2-oxoethoxy]-N,N-dioctylacetamide",CCCCCCCCN(CCCCCCCC)C(=O)COCC(=O)N(CCCCCCCC)CCCCCCCC,"InChI=1S/C36H72N2O3/c1-5-9-13-17-21-25-29-37(30-26-22-18-14-10-6-2)35(39)33-41-34-36(40)38(31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-34H2,1-4H3",VRZYWIAVUGQHKB-UHFFFAOYSA-N,C36H72N2O3,581,580.5542942,12.8,49.9,489,0,0,3,32,41,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,1,1,2,2-PENTAFLUORO-6,6-DIMETHYL-3,5-HEPTANE DIONE",002145-68-8,75067,"1,1,1,2,2-pentafluoro-6,6-dimethylheptane-3,5-dione",CC(C)(C)C(=O)CC(=O)C(C(F)(F)F)(F)F,"InChI=1S/C9H11F5O2/c1-7(2,3)5(15)4-6(16)8(10,11)9(12,13)14/h4H2,1-3H3",FTTQCEGWFGHNDU-UHFFFAOYSA-N,C9H11F5O2,246.17,246.0679204,3,34.1,298,0,0,7,4,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COBALT(II) OXALATE DIHYDRATE,005965-38-8,12096404,cobalt(2+);oxalate;dihydrate,C(=O)(C(=O)[O-])[O-].O.O.[Co+2],"InChI=1S/C2H2O4.Co.2H2O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);;2*1H2/q;+2;;/p-2",MWHSMSAKVHVSAS-UHFFFAOYSA-L,C2H4CoO6,182.98,182.933981,,82.3,60,0,2,6,0,9,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
LANTHANUM CHROMITE,012017-94-6,165970,chromium(3+);lanthanum(3+);tris(oxygen(2-)),[O-2].[O-2].[O-2].[Cr+3].[La+3],InChI=1S/Cr.La.3O/q2*+3;3*-2,NFYLSJDPENHSBT-UHFFFAOYSA-N,CrLaO3,238.9,238.831611,,3,0,0,0,3,0,5,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
S-METHYL-L-CYSTEINE,001187-84-4,24417,(2R)-2-amino-3-methylsulfanylpropanoic acid,CSC[C@@H](C(=O)O)N,"InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",IDIDJDIHTAOVLG-VKHMYHEASA-N,C4H9NO2S,135.19,135.0353997,-2.7,88.6,86,0,2,4,3,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TIN (II) ACETATE,000638-39-1,69488,tin(2+) diacetate,CC(=O)[O-].CC(=O)[O-].[Sn+2],"InChI=1S/2C2H4O2.Sn/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",PNOXNTGLSKTMQO-UHFFFAOYSA-L,C4H6O4Sn,236.8,237.928811,,80.3,25,0,0,4,0,9,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
LANTHANUM FLUORIDE,013709-38-1,83675,trifluorolanthanum,F[La](F)F,InChI=1S/3FH.La/h3*1H;/q;;;+3/p-3,BYMUNNMMXKDFEZ-UHFFFAOYSA-K,F3La,195.9007,195.901572,,0,8,0,0,3,0,4,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-BUTANEDIOL VINYL ETHER",017832-28-9,87329,4-ethenoxybutan-1-ol,C=COCCCCO,"InChI=1S/C6H12O2/c1-2-8-6-4-3-5-7/h2,7H,1,3-6H2",HMBNQNDUEFFFNZ-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,0.9,29.5,52,0,1,2,5,8,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
N-CARBAMYL-DL-VALINE CRYSTALLINE,026081-00-5,5151292,2-(carbamoylamino)-3-methylbutanoic acid,CC(C)C(C(=O)O)NC(=O)N,"InChI=1S/C6H12N2O3/c1-3(2)4(5(9)10)8-6(7)11/h3-4H,1-2H3,(H,9,10)(H3,7,8,11)",JDXMIYHOSFNZKO-UHFFFAOYSA-N,C6H12N2O3,160.17,160.0847923,-1.6,92.4,167,0,3,3,3,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-CARBAMYL-L-GLUTAMIC ACID CRYSTALLINE,001188-38-1,121396,(2S)-2-(carbamoylamino)pentanedioic acid,C(CC(=O)O)[C@@H](C(=O)O)NC(=O)N,"InChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)/t3-/m0/s1",LCQLHJZYVOQKHU-VKHMYHEASA-N,C6H10N2O5,190.15,190.0589714,-2.4,130,227,0,4,5,5,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IRIDIUM (III) ACETYLACETONATE,015635-87-7,11027360,tris((Z)-4-hydroxypent-3-en-2-one);iridium,C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.[Ir],"InChI=1S/3C5H8O2.Ir/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/b3*4-3-;",AZFHXIBNMPIGOD-LNTINUHCSA-N,C15H24IrO6,492.56,493.12021,,112,380,0,3,6,3,22,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CADMIUM TIN OXIDE,012185-56-7,156593707,,O.[Cd].[Sn],InChI=1S/Cd.H2O.Sn/h;1H2;,NFVXGELIOWMTNE-UHFFFAOYSA-N,CdH2OSn,249.14,251.81613,,1,0,0,1,1,0,3,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
IRON (II) TITANIUM OXIDE,012022-71-8,165978,bis(iron(3+));heptakis(oxygen(2-));bis(titanium(4+)),[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Ti+4].[Ti+4].[Fe+3].[Fe+3],InChI=1S/2Fe.7O.2Ti/q2*+3;7*-2;2*+4,JCDAAXRCMMPNBO-UHFFFAOYSA-N,Fe2O7Ti2,319.42,319.730155,,7,0,0,0,7,0,11,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)-POLYPROPYLENE GLYCOL,077110-54-4,16211147,"2-aminopropan-1-ol;2-methoxyethanol;propane-1,3-diol",CC(CO)N.COCCO.C(CO)CO,"InChI=1S/C3H9NO.2C3H8O2/c1-3(4)2-5;1-5-3-2-4;4-2-1-3-5/h3,5H,2,4H2,1H3;4H,2-3H2,1H3;4-5H,1-3H2",XVTJMTQHAYBRLF-UHFFFAOYSA-N,C9H25NO5,227.3,227.1732729,,116,49,0,5,6,5,15,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
L-ALLO-THREONINE,028954-12-3,99289,"(2S,3S)-2-amino-3-hydroxybutanoic acid",C[C@@H]([C@@H](C(=O)O)N)O,"InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m0/s1",AYFVYJQAPQTCCC-HRFVKAFMSA-N,C4H9NO3,119.12,119.0582431,-2.9,83.6,93,0,3,4,2,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-[METHOXY(POLYETHYLENEOXY)PROPYL]HEPTAMETHYLTRISILOXANE,027306-78-1,197160,3-(2-methoxyethoxy)propyl-methyl-bis(trimethylsilyloxy)silane,COCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C,"InChI=1S/C13H34O4Si3/c1-14-11-12-15-10-9-13-20(8,16-18(2,3)4)17-19(5,6)7/h9-13H2,1-8H3",JQRXTVACLHSVTF-UHFFFAOYSA-N,C13H34O4Si3,338.66,338.1764892,,36.9,245,0,0,4,11,20,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
LITHIUM CHLORIDE HYDRATE,085144-11-2,23681138,lithium;chloride;hydrate,[Li+].O.[Cl-],InChI=1S/ClH.Li.H2O/h1H;;1H2/q;+1;/p-1,VXJIMUZIBHBWBV-UHFFFAOYSA-M,ClH2LiO,60.4,59.9954208,,1,2,0,1,2,0,3,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIMETHYL-D6-AMINE HYDROCHLORIDE,053170-19-7,12199012,"1,1,1-trideuterio-N-(trideuteriomethyl)methanamine;hydrochloride",[2H]C([2H])([2H])NC([2H])([2H])[2H].Cl,"InChI=1S/C2H7N.ClH/c1-3-2;/h3H,1-2H3;1H/i1D3,2D3;",IQDGSYLLQPDQDV-TXHXQZCNSA-N,C2H8ClN,87.58,87.0721874,,12,2,0,2,1,0,4,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMOPROPIONAMIDE,005875-25-2,101118,2-bromopropanamide,CC(C(=O)N)Br,"InChI=1S/C3H6BrNO/c1-2(4)3(5)6/h2H,1H3,(H2,5,6)",AUHYZQCEIVEMFH-UHFFFAOYSA-N,C3H6BrNO,151.99,150.96328,0.3,43.1,63,0,1,1,1,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NEODYMIUM TRIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATE)",015492-47-4,6008128,"tris((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);neodymium",CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.[Nd],"InChI=1S/3C11H20O2.Nd/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/b3*8-7-;",WCCMEVRVLBRPNG-LWTKGLMZSA-N,C33H60NdO6,697.1,694.34672,,112,801,0,3,6,9,40,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"POTASSIUM TETRACYANOPALLADATE (III), TRIHYDRATE",014516-46-2,167107,dipotassium;palladium(2+);tetracyanide,[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[K+].[Pd+2],InChI=1S/4CN.2K.Pd/c4*1-2;;;/q4*-1;2*+1;+2,IYDMNMSJMUMQBP-UHFFFAOYSA-N,C4K2N4Pd,288.69,287.84319,,95.2,10,0,0,8,0,11,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"O,O'-DIETHYL METHYLPHOSPHONOTHIOATE",006996-81-2,23426,diethoxy-methyl-sulfanylidene-lambda5-phosphane,CCOP(=S)(C)OCC,"InChI=1S/C5H13O2PS/c1-4-6-8(3,9)7-5-2/h4-5H2,1-3H3",GEDUXIUTPVHAAV-UHFFFAOYSA-N,C5H13O2PS,168.2,168.0373878,1.9,50.6,106,0,0,3,4,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"N,N-DIMETHYLPROPIONAMIDE",000758-96-3,12965,"N,N-dimethylpropanamide",CCC(=O)N(C)C,"InChI=1S/C5H11NO/c1-4-5(7)6(2)3/h4H2,1-3H3",MBHINSULENHCMF-UHFFFAOYSA-N,C5H11NO,101.15,101.084064,-0.1,20.3,68,0,0,1,1,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
D-GLUCOSE U-13C6,110187-42-3,66509130,"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy(1,2,3,4,5,6-13C6)hexanal",[13CH2]([13C@H]([13C@H]([13C@@H]([13C@H]([13CH]=O)O)O)O)O)O,"InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1",GZCGUPFRVQAUEE-AEKYUDOOSA-N,C6H12O6,186.11,186.0835171,-2.9,118,138,0,5,6,5,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,2-BIS(BROMOMETHYL)-1-BROMOBUTANE",006974-30-7,229500,"1-bromo-2,2-bis(bromomethyl)butane",CCC(CBr)(CBr)CBr,"InChI=1S/C6H11Br3/c1-2-6(3-7,4-8)5-9/h2-5H2,1H3",HUUMSZPUWMAIHD-UHFFFAOYSA-N,C6H11Br3,322.86,321.83904,3.5,0,60,0,0,0,4,9,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
NITROSONIUM HEXAFLUOROANTIMONATE,016941-06-3,16717643,azanylidyneoxidanium;hexafluoroantimony(1-),N#[O+].F[Sb-](F)(F)(F)(F)F,InChI=1S/6FH.NO.Sb/c;;;;;;1-2;/h6*1H;;/q;;;;;;+1;+5/p-6,AMGJCGWYCZRXHS-UHFFFAOYSA-H,F6NOSb,265.757,264.89222,,24.8,72,0,0,8,0,9,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
SILVER CYANATE,003315-16-0,516935,cyanic acid;silver,C(#N)O.[Ag],InChI=1S/CHNO.Ag/c2-1-3;/h3H;,VAQVDZZAAMAZAO-UHFFFAOYSA-N,CHAgNO,150.893,149.91091,,44,34,0,1,2,0,4,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CHROMIUM(III) CHLORIDE HYDRATE,085017-78-3,16211596,trichlorochromium;hydrate,O.Cl[Cr](Cl)Cl,InChI=1S/3ClH.Cr.H2O/h3*1H;;1H2/q;;;+3;/p-3,KAVBMPSEABAPIE-UHFFFAOYSA-K,Cl3CrH2O,176.37,174.857627,,1,8,0,1,1,0,5,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIBUTYLMETHYLAMMONIUM CHLORIDE,056375-79-2,91822,tributyl(methyl)azanium chloride,CCCC[N+](C)(CCCC)CCCC.[Cl-],"InChI=1S/C13H30N.ClH/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1",IPILPUZVTYHGIL-UHFFFAOYSA-M,C13H30ClN,235.84,235.2066777,,0,98,0,0,1,9,15,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
PENTAERYTHRITOL TETRAKIS(3-MERCAPTOPROPIONATE),007575-23-7,82056,"[3-(3-sulfanylpropanoyloxy)-2,2-bis(3-sulfanylpropanoyloxymethyl)propyl] 3-sulfanylpropanoate",C(CS)C(=O)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS,"InChI=1S/C17H28O8S4/c18-13(1-5-26)22-9-17(10-23-14(19)2-6-27,11-24-15(20)3-7-28)12-25-16(21)4-8-29/h26-29H,1-12H2",JOBBTVPTPXRUBP-UHFFFAOYSA-N,C17H28O8S4,488.7,488.0667025,0.8,109,436,0,4,12,20,29,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,1
BARIUM COPPER YTTRIUM OXIDE,107539-20-8,6337927,,O.[Cu].[Y].[Ba],InChI=1S/Ba.Cu.H2O.Y/h;;1H2;,DRRYUYDUUMXTQQ-UHFFFAOYSA-N,BaCuH2OY,307.79,307.751247,,1,0,0,1,1,0,4,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CADMIUM ACETATE HYDRATE,089759-80-8,24836120,cadmium(2+);diacetate;hydrate,CC(=O)[O-].CC(=O)[O-].O.[Cd+2],"InChI=1S/2C2H4O2.Cd.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+2;/p-2",KJNYWDYNPPTGLP-UHFFFAOYSA-L,C4H8CdO5,248.52,249.940538,,81.3,25,0,1,5,0,10,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"N(ALPHA),N(ALPHA)-BIS(CARBOXYMETHYL)-L-LYSINE HYDRATE",113231-05-3,7019830,(2S)-6-amino-2-[bis(carboxymethyl)amino]hexanoic acid,C(CCN)C[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O,"InChI=1S/C10H18N2O6/c11-4-2-1-3-7(10(17)18)12(5-8(13)14)6-9(15)16/h7H,1-6,11H2,(H,13,14)(H,15,16)(H,17,18)/t7-/m0/s1",SYFQYGMJENQVQT-ZETCQYMHSA-N,C10H18N2O6,262.26,262.1164863,-5.3,141,291,0,4,8,10,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,9-NONANEDITHIOL",003489-28-9,248488,"nonane-1,9-dithiol",C(CCCCS)CCCCS,"InChI=1S/C9H20S2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2",GJRCLMJHPWCJEI-UHFFFAOYSA-N,C9H20S2,192.4,192.100643,3.9,2,56,0,2,2,8,11,,116.00 °C. @ 0.10 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ISOPROPYLAMINE HYDROCHLORIDE,015572-56-2,6432137,propan-2-amine;hydrochloride,CC(C)N.Cl,"InChI=1S/C3H9N.ClH/c1-3(2)4;/h3H,4H2,1-2H3;1H",ISYORFGKSZLPNW-UHFFFAOYSA-N,C3H10ClN,95.57,95.050177,,26,10,0,2,1,0,5,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHYLCARBAMOYL CHLORIDE,000088-10-8,6916,"N,N-diethylcarbamoyl chloride",CCN(CC)C(=O)Cl,"InChI=1S/C5H10ClNO/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3",OFCCYDUUBNUJIB-UHFFFAOYSA-N,C5H10ClNO,135.59,135.0450916,1.4,20.3,80,0,0,1,2,8,163 - 172 °C,186 °C,0,0,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LITHIUM ACETATE,000546-89-4,3474584,lithium acetate,[Li+].CC(=O)[O-],"InChI=1S/C2H4O2.Li/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",XIXADJRWDQXREU-UHFFFAOYSA-M,C2H3LiO2,66,66.02930777,,40.1,34,0,0,2,0,5,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"(Z)-1-PROPENE-1,2,3-TRICARBOXYLIC ACID",000585-84-2,643757,"(Z)-prop-1-ene-1,2,3-tricarboxylic acid",C(/C(=C/C(=O)O)/C(=O)O)C(=O)O,"InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1-",GTZCVFVGUGFEME-IWQZZHSRSA-N,C6H6O6,174.11,174.0164379,-1,112,251,0,3,6,4,12,,542.00 to 543.00 °C. @ 760.00 mm Hg,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-PENTENENITRILE,000592-51-8,11604,pent-4-enenitrile,C=CCCC#N,"InChI=1S/C5H7N/c1-2-3-4-5-6/h2H,1,3-4H2",CFEYBLWMNFZOPB-UHFFFAOYSA-N,C5H7N,81.12,81.05784923,1,23.8,75,0,0,1,2,6,,140 °C,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
N-ETHYLACETAMIDE,000625-50-3,12253,N-ethylacetamide,CCNC(=O)C,"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)",PMDCZENCAXMSOU-UHFFFAOYSA-N,C4H9NO,87.12,87.06841391,-0.1,29.1,51,0,1,1,1,6,,205.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"CARBAMIMIDOTHIOIC ACID, METHYL ESTER, SULFATE (2:1)",000867-44-7,13347,methyl carbamimidothioate;sulfuric acid,CSC(=N)N.CSC(=N)N.OS(=O)(=O)O,"InChI=1S/2C2H6N2S.H2O4S/c2*1-5-2(3)4;1-5(2,3)4/h2*1H3,(H3,3,4);(H2,1,2,3,4)",BZZXQZOBAUXLHZ-UHFFFAOYSA-N,C4H14N4O4S3,278.4,278.0177185,,233,124,0,6,8,2,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANAMIDE, N,N-DIETHYL-",001114-51-8,66191,"N,N-diethylpropanamide",CCC(=O)N(CC)CC,"InChI=1S/C7H15NO/c1-4-7(9)8(5-2)6-3/h4-6H2,1-3H3",YKOQQFDCCBKROY-UHFFFAOYSA-N,C7H15NO,129.2,129.1153641,0.9,20.3,86,0,0,1,3,9,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TERT-BUTYL CYANOACETATE,001116-98-9,70693,tert-butyl 2-cyanoacetate,CC(C)(C)OC(=O)CC#N,"InChI=1S/C7H11NO2/c1-7(2,3)10-6(9)4-5-8/h4H2,1-3H3",BFNYNEMRWHFIMR-UHFFFAOYSA-N,C7H11NO2,141.17,141.0789786,1,50.1,170,0,0,3,3,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,1,1,3,3,3-HEXAFLUORO-2-METHYL-2-PROPANOL",001515-14-6,73936,"1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol",CC(C(F)(F)F)(C(F)(F)F)O,"InChI=1S/C4H4F6O/c1-2(11,3(5,6)7)4(8,9)10/h11H,1H3",FQDXJYBXPOMIBX-UHFFFAOYSA-N,C4H4F6O,182.06,182.0166337,1.8,20.2,130,0,1,7,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-METHYLENE-PENTANEDINITRILE,001572-52-7,74080,2-methylidenepentanedinitrile,C=C(CCC#N)C#N,InChI=1S/C6H6N2/c1-6(5-8)3-2-4-7/h1-3H2,NGCJVMZXRCLPRQ-UHFFFAOYSA-N,C6H6N2,106.13,106.0530982,0.5,47.6,173,0,0,2,2,8,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SILVER THIOCYANATE,001701-93-5,74345,silver thiocyanate,C(#N)[S-].[Ag+],InChI=1S/CHNS.Ag/c2-1-3;/h3H;/q;+1/p-1,RHUVFRWZKMEWNS-UHFFFAOYSA-M,CAgNS,165.95,164.88024,,24.8,31,0,0,2,0,4,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,3,4-BUTANETETRACARBOXYLIC ACID",001703-58-8,15560,"butane-1,2,3,4-tetracarboxylic acid",C(C(C(CC(=O)O)C(=O)O)C(=O)O)C(=O)O,"InChI=1S/C8H10O8/c9-5(10)1-3(7(13)14)4(8(15)16)2-6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)",GGAUUQHSCNMCAU-UHFFFAOYSA-N,C8H10O8,234.16,234.0375673,-1.7,149,288,0,4,8,7,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
3-BROMOPROPANOIC ACID METHYL ESTER,003395-91-3,76934,methyl 3-bromopropanoate,COC(=O)CCBr,"InChI=1S/C4H7BrO2/c1-7-4(6)2-3-5/h2-3H2,1H3",KQEVIFKPZOGBMZ-UHFFFAOYSA-N,C4H7BrO2,167,165.96294,0.8,26.3,62,0,0,2,3,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-PENTADECAFLUOROOCTYL ESTER METHACRYLIC ACID",003934-23-4,77532,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl 2-methylprop-2-enoate",CC(=C)C(=O)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C12H7F15O2/c1-4(2)5(28)29-3-6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h1,3H2,2H3",RUEKTOVLVIXOHT-UHFFFAOYSA-N,C12H7F15O2,468.16,468.0206519,6.2,26.3,646,0,0,17,9,29,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-ETHENYLACETAMIDE,005202-78-8,78875,N-ethenylacetamide,CC(=O)NC=C,"InChI=1S/C4H7NO/c1-3-5-4(2)6/h3H,1H2,2H3,(H,5,6)",RQAKESSLMFZVMC-UHFFFAOYSA-N,C4H7NO,85.1,85.05276385,0,29.1,67,0,1,1,1,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
6-BROMOHEXANENITRILE,006621-59-6,81093,6-bromohexanenitrile,C(CCC#N)CCBr,InChI=1S/C6H10BrN/c7-5-3-1-2-4-6-8/h1-5H2,PHOSWLARCIBBJZ-UHFFFAOYSA-N,C6H10BrN,176.05,174.99966,1.7,23.8,81,0,0,1,4,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IRIDIUM TRICHLORIDE,010025-83-9,25563,trichloroiridium,Cl[Ir](Cl)Cl,InChI=1S/3ClH.Ir/h3*1H;/q;;;+3/p-3,DANYXEHCMQHDNX-UHFFFAOYSA-K,Cl3Ir,298.57,297.86948,,0,8,0,0,0,0,4,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
IRIDIUM(IV) CHLORIDE,010025-97-5,24815,tetrachloroiridium,Cl[Ir](Cl)(Cl)Cl,InChI=1S/4ClH.Ir/h4*1H;/q;;;;+4/p-4,CALMYRPSSNRCFD-UHFFFAOYSA-J,Cl4Ir,334,334.83538,,0,19,0,0,0,0,5,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CERIUM FLUORIDE (CEF4),010060-10-3,82331,tetrafluorocerium,F[Ce](F)(F)F,InChI=1S/Ce.4FH/h;4*1H/q+4;;;;/p-4,SWURHZJFFJEBEE-UHFFFAOYSA-J,CeF4,216.11,215.89906,,0,19,0,0,4,0,5,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BARIUM BORIDE (BAB6), (OC-6-11)-",012046-08-1,6336903,,[B].[B].[B].[B].[B].[B].[Ba],InChI=1S/6B.Ba,DBNPLCUZNLSUCT-UHFFFAOYSA-N,B6Ba,202.2,202.96471,,0,0,0,0,0,0,7,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"TUNGSTIC ACID, DISODIUM SALT",013472-45-2,26052,disodium;dioxido(dioxo)tungsten,[O-][W](=O)(=O)[O-].[Na+].[Na+],InChI=1S/2Na.4O.W/q2*+1;;;2*-1;,XMVONEAAOPAGAO-UHFFFAOYSA-N,Na2O4W,293.82,293.91013,,80.3,62,0,0,4,0,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-CHLORO-2-PROPANOL 2,2',2''-PHOSPHATE",013674-84-5,26176,tris(1-chloropropan-2-yl) phosphate,CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl,"InChI=1S/C9H18Cl3O4P/c1-7(4-10)14-17(13,15-8(2)5-11)16-9(3)6-12/h7-9H,4-6H2,1-3H3",KVMPUXDNESXNOH-UHFFFAOYSA-N,C9H18Cl3O4P,327.6,326.000829,2.6,44.8,216,0,0,4,9,17,"greater than 200 °F (NTP, 1992)",235-248 °C,0,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TERBIUM FLUORIDE,013708-63-9,83673,trifluoroterbium,F[Tb](F)F,InChI=1S/3FH.Tb/h3*1H;/q;;;+3/p-3,LKNRQYTYDPPUOX-UHFFFAOYSA-K,F3Tb,215.92056,215.92056,,0,8,0,0,3,0,4,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ALPHA-METHYL-OMEGA-(2-PROPENYLOXY)POLY(OXY-1,2-ETHANEDIYL)",027252-80-8,639880,3-(2-methoxyethoxy)prop-1-ene,COCCOCC=C,"InChI=1S/C6H12O2/c1-3-4-8-6-5-7-2/h3H,1,4-6H2,2H3",GSOBBSPKPFHUCK-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,0.6,18.5,52,0,0,2,5,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-MERCAPTOPROPANOIC ACID, 2-ETHYL-2-((3-MERCAPTO-1-OXOPROPOXY)METHYL)-1,3-PROPANEDIYL ESTER",033007-83-9,118379,"2,2-bis(3-sulfanylpropanoyloxymethyl)butyl 3-sulfanylpropanoate",CCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS,"InChI=1S/C15H26O6S3/c1-2-15(9-19-12(16)3-6-22,10-20-13(17)4-7-23)11-21-14(18)5-8-24/h22-24H,2-11H2,1H3",IMQFZQVZKBIPCQ-UHFFFAOYSA-N,C15H26O6S3,398.6,398.0891521,1.6,81.9,348,0,3,9,16,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TRIS(2,4-PENTANEDIONATO)INDIUM",014405-45-9,6433601,indium(3+);tris((Z)-4-oxopent-2-en-2-olate),C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[In+3],"InChI=1S/3C5H8O2.In/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-;",SKWCWFYBFZIXHE-LNTINUHCSA-K,C15H21InO6,412.14,412.0376922,,120,90,0,0,6,3,22,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Tetrakis(2,2,6,6-tetramethyl-3,5-heptanedionato)cerium(IV)",018960-54-8,425541,"cerium;tetrakis(2,2,6,6-tetramethylheptane-3,5-dione)",CC(C)(C)C(=O)CC(=O)C(C)(C)C.CC(C)(C)C(=O)CC(=O)C(C)(C)C.CC(C)(C)C(=O)CC(=O)C(C)(C)C.CC(C)(C)C(=O)CC(=O)C(C)(C)C.[Ce],"InChI=1S/4C11H20O2.Ce/c4*1-10(2,3)8(12)7-9(13)11(4,5)6;/h4*7H2,1-6H3;",JPCVCRISNDSDBB-UHFFFAOYSA-N,C44H80CeO8,877.2,876.49077,,137,964,0,0,8,8,53,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-Oxooctanoic Acid,000328-51-8,67600,2-oxooctanoic acid,CCCCCCC(=O)C(=O)O,"InChI=1S/C8H14O3/c1-2-3-4-5-6-7(9)8(10)11/h2-6H2,1H3,(H,10,11)",GPPUPQFYDYLTIY-UHFFFAOYSA-N,C8H14O3,158.19,158.0942943,2.1,54.4,140,0,1,3,6,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CITRACONIC ACID,000498-23-7,643798,(Z)-2-methylbut-2-enedioic acid,C/C(=C/C(=O)O)/C(=O)O,"InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-",HNEGQIOMVPPMNR-IHWYPQMZSA-N,C5H6O4,130.1,130.0266087,-0.1,74.6,168,0,2,4,2,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
IRIDIUM CARBONYL,011065-24-0,11967617,carbon monoxide;tetrakis(iridium),[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ir].[Ir].[Ir].[Ir],InChI=1S/12CO.4Ir/c12*1-2;;;;,XWDKRVSSHIJNJP-UHFFFAOYSA-N,C12Ir4O12,1104.99,1105.78834,,12,10,0,0,12,0,28,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
D-(-)-3-PHOSPHOGLYCERIC ACID BARIUM SALT,086879-11-0,44630428,barium(2+);[(2R)-2-carboxy-2-hydroxyethyl] phosphate,C([C@H](C(=O)O)O)OP(=O)([O-])[O-].[Ba+2],"InChI=1S/C3H7O7P.Ba/c4-2(3(5)6)1-10-11(7,8)9;/h2,4H,1H2,(H,5,6)(H2,7,8,9);/q;+2/p-2/t2-;/m1./s1",IAFYHPGYCIOBCG-HSHFZTNMSA-L,C3H5BaO7P,321.37,321.882537,,130,171,0,2,7,3,12,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TIN(IV) ACETATE,002800-96-6,9863446,tin(4+) tetraacetate,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Sn+4],"InChI=1S/4C2H4O2.Sn/c4*1-2(3)4;/h4*1H3,(H,3,4);/q;;;;+4/p-4",YJGJRYWNNHUESM-UHFFFAOYSA-J,C8H12O8Sn,354.89,355.95542,,161,25,0,0,8,0,17,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
COBALT(II) CARBONATE HYDRATE,057454-67-8,16211458,cobalt(2+);carbonate;hydrate,C(=O)([O-])[O-].O.[Co+2],"InChI=1S/CH2O3.Co.H2O/c2-1(3)4;;/h(H2,2,3,4);;1H2/q;+2;/p-2",JLAIPADPFFTYLP-UHFFFAOYSA-L,CH2CoO4,136.96,136.928502,,64.2,18,0,1,4,0,6,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,1,0,1
4-CYANO-4-(DODECYLSULFANYLTHIOCARBONYL)SULFANYLPENTANOIC ACID,870196-80-8,57354956,4-cyano-4-dodecylsulfanylcarbothioylsulfanylpentanoic acid,CCCCCCCCCCCCSC(=S)SC(C)(CCC(=O)O)C#N,"InChI=1S/C19H33NO2S3/c1-3-4-5-6-7-8-9-10-11-12-15-24-18(23)25-19(2,16-20)14-13-17(21)22/h3-15H2,1-2H3,(H,21,22)",RNTXYZIABJIFKQ-UHFFFAOYSA-N,C19H33NO2S3,403.7,403.1673428,7.6,144,434,0,1,6,17,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHYLENE GLYCOL-D6 (D, 98%)",015054-86-1,2733139,"1,1,2,2-tetradeuterio-1,2-dideuteriooxyethane",[2H]C([2H])(C([2H])([2H])O[2H])O[2H],"InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2/i1D2,2D2,3D,4D",LYCAIKOWRPUZTN-UFSLNRCZSA-N,C2H6O2,68.1,68.07443991,-1.4,40.5,6,0,2,2,1,4,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CALCIUM THIOCYANATE TETRAHYDRATE,065114-14-9,71311243,calcium;dithiocyanate;tetrahydrate,C(#N)[S-].C(#N)[S-].O.O.O.O.[Ca+2],InChI=1S/2CHNS.Ca.4H2O/c2*2-1-3;;;;;/h2*3H;;4*1H2/q;;+2;;;;/p-2,HOQNOUSJUGLELS-UHFFFAOYSA-L,C2H8CaN2O4S2,228.3,227.9551399,,53.6,80,0,4,8,0,11,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DISODIUM DIMERCAPTOMALEONITRILE,005466-54-6,56924615,,C(#N)/C(=C(\C#N)/S)/S.[Na].[Na],InChI=1S/C4H2N2S2.2Na/c5-1-3(7)4(8)2-6;;/h7-8H;;/b4-3-;;,VRXXGEDHLLZAIP-GSBNXNDCSA-N,C4H2N2Na2S2,188.2,187.945479,,49.6,187,0,2,4,0,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DL-GLYCERALDEHYDE 3-PHOSPHATE DIETHYL ACETAL MONOBARIUM SALT,093965-35-6,16219421,"barium(2+);(3,3-diethoxy-2-hydroxypropyl) phosphate",CCOC(C(COP(=O)([O-])[O-])O)OCC.[Ba+2],"InChI=1S/C7H17O7P.Ba/c1-3-12-7(13-4-2)6(8)5-14-15(9,10)11;/h6-8H,3-5H2,1-2H3,(H2,9,10,11);/q;+2/p-2",OCALAXUAYOULKA-UHFFFAOYSA-L,C7H15BaO7P,379.49,379.960787,,111,186,0,1,7,7,16,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
LEUPEPTIN,055123-66-5,72429,(2S)-2-acetamido-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide,CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C=O)NC(=O)C,"InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15-,16-,17-/m0/s1",GDBQQVLCIARPGH-ULQDDVLXSA-N,C20H38N6O4,426.6,426.2954537,0.4,169,602,0,5,5,14,30,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,1,3-TRICYANO-2-AMINO-1-PROPENE",000868-54-2,13356,"2-aminoprop-1-ene-1,1,3-tricarbonitrile",C(C#N)C(=C(C#N)C#N)N,"InChI=1S/C6H4N4/c7-2-1-6(10)5(3-8)4-9/h1,10H2",BNHGNFYPZNDLAF-UHFFFAOYSA-N,C6H4N4,132.12,132.0435961,-0.1,97.4,278,0,1,4,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRARHODIUM DODECACARBONYL,019584-30-6,9940312,carbon monoxide;tetrakis(rhodium),[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Rh].[Rh].[Rh].[Rh],InChI=1S/12CO.4Rh/c12*1-2;;;;,LVGLLYVYRZMJIN-UHFFFAOYSA-N,C12O12Rh4,747.74,747.56095,,12,10,0,0,12,0,28,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
(DIMETHYLAMINOMETHYLENE)MALONONITRILE,016849-88-0,28111,2-(dimethylaminomethylidene)propanedinitrile,CN(C)C=C(C#N)C#N,"InChI=1S/C6H7N3/c1-9(2)5-6(3-7)4-8/h5H,1-2H3",LBUDLOYYNHQKQI-UHFFFAOYSA-N,C6H7N3,121.14,121.0639972,0.3,50.8,189,0,0,3,1,9,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BISGUANIDINIUM PHOSPHATE,005423-23-4,6452957,bis(guanidine);phosphoric acid,C(=N)(N)N.C(=N)(N)N.OP(=O)(O)O,"InChI=1S/2CH5N3.H3O4P/c2*2-1(3)4;1-5(2,3)4/h2*(H5,2,3,4);(H3,1,2,3,4)",SSHPJTCTVWVCLI-UHFFFAOYSA-N,C2H13N6O4P,216.14,216.0735899,,230,76,0,9,6,0,13,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"S,S'-DIMETHYL DITHIOCARBONATE",000868-84-8,313474,bis(methylsulfanyl)methanone,CSC(=O)SC,InChI=1S/C3H6OS2/c1-5-3(4)6-2/h1-2H3,IUXMJLLWUTWQFX-UHFFFAOYSA-N,C3H6OS2,122.21,121.9860072,1.6,67.7,46,0,0,3,2,6,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
LITHIUM CITRATE TRIBASIC TETRAHYDRATE,006080-58-6,2724118,"trilithium;2-hydroxypropane-1,2,3-tricarboxylate;tetrahydrate",[Li+].[Li+].[Li+].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.O,"InChI=1S/C6H8O7.3Li.4H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;4*1H2/q;3*+1;;;;/p-3",HXGWMCJZLNWEBC-UHFFFAOYSA-K,C6H13Li3O11,282.1,282.0937965,,145,211,0,5,11,2,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL HYDROGEN MALONATE,016695-14-0,538366,3-methoxy-3-oxopropanoic acid,COC(=O)CC(=O)O,"InChI=1S/C4H6O4/c1-8-4(7)2-3(5)6/h2H2,1H3,(H,5,6)",PBVZQAXFSQKDKK-UHFFFAOYSA-N,C4H6O4,118.09,118.0266087,-0.4,63.6,107,0,1,4,3,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(2-CYANOETHYL)-4-NITROHEPTANEDINITRILE,001466-48-4,73841,4-(2-cyanoethyl)-4-nitroheptanedinitrile,C(CC(CCC#N)(CCC#N)[N+](=O)[O-])C#N,"InChI=1S/C10H12N4O2/c11-7-1-4-10(14(15)16,5-2-8-12)6-3-9-13/h1-6H2",MUPJJZVGSOUSFH-UHFFFAOYSA-N,C10H12N4O2,220.23,220.0960256,0,117,333,0,0,5,6,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-ETHYL-3-(3-DIMETHYLAMINO)PROPYL)CARBODIIMIDE METHIODIDE,022572-40-3,122242,3-(ethyliminomethylideneamino)propyl-trimethylazanium iodide,CCN=C=NCCC[N+](C)(C)C.[I-],"InChI=1S/C9H20N3.HI/c1-5-10-9-11-7-6-8-12(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1",AGSKWMRPXWHSPF-UHFFFAOYSA-M,C9H20IN3,297.18,297.0702,,24.7,161,0,0,3,5,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM DODECYL SULFATE-D25,110863-24-6,23700838,"sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosadeuteriododecyl sulfate",[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])OS(=O)(=O)[O-].[Na+],"InChI=1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2;",DBMJMQXJHONAFJ-YCGROXIYSA-M,C12H25NaO4S,313.53,313.2940434,,74.8,249,0,0,4,12,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OCTYL CYANOACETATE,015666-97-4,4384482,octyl 2-cyanoacetate,CCCCCCCCOC(=O)CC#N,"InChI=1S/C11H19NO2/c1-2-3-4-5-6-7-10-14-11(13)8-9-12/h2-8,10H2,1H3",MBCTWXWDQMXVDF-UHFFFAOYSA-N,C11H19NO2,197.27,197.1415788,3.3,50.1,193,0,0,3,9,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MANGANESE(III) PHOSPHATE HYDRATE,104663-56-1,71317435,manganese(3+);phosphate;hydrate,O.[O-]P(=O)([O-])[O-].[Mn+3],"InChI=1S/Mn.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2/q+3;;/p-3",VRHPRPVJMYLUBR-UHFFFAOYSA-K,H2MnO5P,167.92,167.902028,,87.3,36,0,1,5,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LITHIUM HEXAFLUOROSILICATE,017347-95-4,13629069,dilithium;hexafluorosilicon(2-),[Li+].[Li+].F[Si-2](F)(F)(F)(F)F,"InChI=1S/F6Si.2Li/c1-7(2,3,4,5)6;;/q-2;2*+1",QSDQCOGGZWIADS-UHFFFAOYSA-N,F6Li2Si,156,155.9993524,,0,62,0,0,7,0,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ALUMINUM FLUORIDE TRIHYDRATE,015098-87-0,22002992,aluminum;trifluoride;trihydrate,O.O.O.[F-].[F-].[F-].[Al+3],InChI=1S/Al.3FH.3H2O/h;3*1H;3*1H2/q+3;;;;;;/p-3,BKLZIAYVINRQEJ-UHFFFAOYSA-K,AlF3H6O3,138.023,138.0084419,,3,0,0,3,6,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM THIOANTIMONATE(V) NONAHYDRATE,010101-91-4,71312650,,O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[SH-].[SH-].[SH-].S=[Sb],InChI=1S/3Na.9H2O.3H2S.S.Sb/h;;;12*1H2;;/q3*+1;;;;;;;;;;;;;;/p-3,OHAZZUXPLAWWCB-UHFFFAOYSA-K,H21Na3O9S4Sb,484.2,482.87996,,44.1,3,0,12,13,0,17,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ETHYL PERFLUOROHEPTANOATE,041430-70-0,526468,"ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate",CCOC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C9H5F13O2/c1-2-24-3(23)4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h2H2,1H3",ZESCSNXJAROIJS-UHFFFAOYSA-N,C9H5F13O2,392.11,392.0081955,4.8,26.3,478,0,0,15,7,24,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIMETHYL(2-((2-METHYL-1-OXOALLYL)OXY)ETHYL)(3-SULPHOPROPYL)AMMONIUM HYDROXIDE,003637-26-1,3034140,3-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]propane-1-sulfonate,CC(=C)C(=O)OCC[N+](C)(C)CCCS(=O)(=O)[O-],"InChI=1S/C11H21NO5S/c1-10(2)11(13)17-8-7-12(3,4)6-5-9-18(14,15)16/h1,5-9H2,2-4H3",BCAIDFOKQCVACE-UHFFFAOYSA-N,C11H21NO5S,279.36,279.1140439,0.3,91.9,381,0,0,5,8,18,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIPROPYL SULFIDE,000111-47-7,8118,1-propylsulfanylpropane,CCCSCCC,"InChI=1S/C6H14S/c1-3-5-7-6-4-2/h3-6H2,1-2H3",ZERULLAPCVRMCO-UHFFFAOYSA-N,C6H14S,118.24,118.0816216,2.7,25.3,23,0,0,1,4,7,,142.00 to 143.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"N,N-DIMETHYLMETHANESULPHONAMIDE",000918-05-8,70191,"N,N-dimethylmethanesulfonamide",CN(C)S(=O)(=O)C,"InChI=1S/C3H9NO2S/c1-4(2)7(3,5)6/h1-3H3",WCFDSGHAIGTEKL-UHFFFAOYSA-N,C3H9NO2S,123.18,123.0353997,-0.5,45.8,130,0,0,3,1,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIETHYL(SILANE-D),001631-33-0,10986198,deuterio(triethyl)silane,[2H][Si](CC)(CC)CC,"InChI=1S/C6H16Si/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3/i7D",AQRLNPVMDITEJU-WHRKIXHSSA-N,C6H16Si,117.28,117.1084038,,0,25,0,0,0,3,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
POLY(ETHYLENE GLYCOL) 2-AMINOETHYL ETHER ACETIC ACID,139729-28-5,362706,2-[2-(2-aminoethoxy)ethoxy]acetic acid,C(COCCOCC(=O)O)N,"InChI=1S/C6H13NO4/c7-1-2-10-3-4-11-5-6(8)9/h1-5,7H2,(H,8,9)",RUVRGYVESPRHSZ-UHFFFAOYSA-N,C6H13NO4,163.17,163.0844579,-3.7,81.8,107,0,2,5,7,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYL HYDRAZINOACETATE HYDROCHLORIDE,006945-92-2,11593468,ethyl 2-hydrazinylacetate;hydrochloride,CCOC(=O)CNN.Cl,"InChI=1S/C4H10N2O2.ClH/c1-2-8-4(7)3-6-5;/h6H,2-3,5H2,1H3;1H",HZZRIIPYFPIKHR-UHFFFAOYSA-N,C4H11ClN2O2,154.59,154.0509053,,64.4,74,0,3,4,4,9,,,0,0,0,1,0,0,0,1,0,0,1,0,0,0,0,0,1,1,0,1
"BIS(PENTANE-2,4-DIONATO)TIN",016009-86-2,16687400,bis[[(Z)-4-oxopent-2-en-2-yl]oxy]tin,C/C(=C/C(=O)C)/O[Sn]O/C(=C\C(=O)C)/C,"InChI=1S/2C5H8O2.Sn/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2/b2*4-3-;",XDRPDDZWXGILRT-FDGPNNRMSA-L,C10H14O4Sn,316.93,317.991411,,52.6,275,0,0,4,6,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-HEPTENENITRILE,005048-25-9,4140856,hept-6-enenitrile,C=CCCCCC#N,"InChI=1S/C7H11N/c1-2-3-4-5-6-7-8/h2H,1,3-6H2",ZLWQKLRMIQIHKQ-UHFFFAOYSA-N,C7H11N,109.17,109.0891494,1.9,23.8,96,0,0,1,4,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
TRICARBONYLDICHLORORUTHENIUM(II) DIMER,022594-69-0,10951331,carbon monoxide;bis(dichlororuthenium),[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].Cl[Ru]Cl.Cl[Ru]Cl,InChI=1S/6CO.4ClH.2Ru/c6*1-2;;;;;;/h;;;;;;4*1H;;/q;;;;;;;;;;2*+2/p-4,JYHHJVKGDCZCCL-UHFFFAOYSA-J,C6Cl4O6Ru2,512,515.65171,,6,12,0,0,6,0,18,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAETHYLAMMONIUM FLUORIDE DIHYDRATE,063123-01-3,2776564,tetraethylazanium;fluoride;dihydrate,CC[N+](CC)(CC)CC.O.O.[F-],"InChI=1S/C8H20N.FH.2H2O/c1-5-9(6-2,7-3)8-4;;;/h5-8H2,1-4H3;1H;2*1H2/q+1;;;/p-1",HRTKQUHFGZFPPF-UHFFFAOYSA-M,C8H24FNO2,185.28,185.1791072,,2,47,0,2,3,4,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CITRIC ACID, AMMONIUM BISMUTH SALT",031886-41-6,16211152,"triazanium;bismuth;bis(2-hydroxypropane-1,2,3-tricarboxylate)",C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[NH4+].[NH4+].[NH4+].[Bi+3],"InChI=1S/2C6H8O7.Bi.3H3N/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;3*1H3/q;;+3;;;/p-3",VZZHAYFWMLLWGG-UHFFFAOYSA-K,C12H22BiN3O14,641.3,641.09058,,284,211,0,5,14,4,30,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CYANOMETHYL DODECYL TRITHIOCARBONATE,796045-97-1,24745688,2-dodecylsulfanylcarbothioylsulfanylacetonitrile,CCCCCCCCCCCCSC(=S)SCC#N,"InChI=1S/C15H27NS3/c1-2-3-4-5-6-7-8-9-10-11-13-18-15(17)19-14-12-16/h2-11,13-14H2,1H3",URUIKGRSOJEVQG-UHFFFAOYSA-N,C15H27NS3,317.6,317.1305634,7.6,106,257,0,0,4,14,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANEDIOIC ACID, AMMONIUM IRON(3+) SALT (3:3:1), TRIHYDRATE",013268-42-3,159471543,triazanium;iron(3+);oxalate;trihydrate,C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[NH4+].[NH4+].[NH4+].O.O.O.[Fe+3],"InChI=1S/3C2H2O4.Fe.3H3N.3H2O/c3*3-1(4)2(5)6;;;;;;;/h3*(H,3,4)(H,5,6);;3*1H3;3*1H2/q;;;+3;;;;;;/p-3",LVWHKVQBJNDDEL-UHFFFAOYSA-K,C6H18FeN3O15,428.06,428.008727,,247,60,0,6,15,0,25,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEXAAMMINERUTHENIUM DICHLORIDE,015305-72-3,44147353,azanide;ruthenium(8+);chloride,[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[Cl-].[Ru+8],InChI=1S/ClH.6H2N.Ru/h1H;6*1H2;/q;6*-1;+8/p-1,MHYZHXDLILNYTQ-UHFFFAOYSA-M,ClH12N6Ru+,232.7,232.985537,,6,4,1,6,7,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FORMAMIDINIUM IODIDE,879643-71-7,21689904,methanimidamide;hydroiodide,C(=N)N.I,"InChI=1S/CH4N2.HI/c2-1-3;/h1H,(H3,2,3);1H",QHJPGANWSLEMTI-UHFFFAOYSA-N,CH5IN2,171.969,171.94975,,49.9,10,0,3,1,0,4,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GLYOXAL BIS(DIALLYL ACETAL),016646-44-9,85528,"3-[1,2,2-tris(prop-2-enoxy)ethoxy]prop-1-ene",C=CCOC(C(OCC=C)OCC=C)OCC=C,"InChI=1S/C14H22O4/c1-5-9-15-13(16-10-6-2)14(17-11-7-3)18-12-8-4/h5-8,13-14H,1-4,9-12H2",BXAAQNFGSQKPDZ-UHFFFAOYSA-N,C14H22O4,254.32,254.1518092,2.5,36.9,200,0,0,4,13,18,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
METHYLGUANIDINE HYDROCHLORIDE,021770-81-0,146724,2-methylguanidine;hydrochloride,CN=C(N)N.Cl,"InChI=1S/C2H7N3.ClH/c1-5-2(3)4;/h1H3,(H4,3,4,5);1H",VJQCNCOGZPSOQZ-UHFFFAOYSA-N,C2H8ClN3,109.56,109.040675,,64.4,42,0,3,1,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAKIS(ACETONITRILE)PALLADIUM(II)TETRAFLUOROBORATE,021797-13-7,2734560,tetrakis(acetonitrile);palladium(2+);ditetrafluoroborate,[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC#N.CC#N.CC#N.CC#N.[Pd+2],"InChI=1S/4C2H3N.2BF4.Pd/c4*1-2-3;2*2-1(3,4)5;/h4*1H3;;;/q;;;;2*-1;+2",YWMRPVUMBTVUEX-UHFFFAOYSA-N,C8H12B2F8N4Pd,444.2,444.01551,,95.2,48,0,0,14,0,23,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
IRON (II) SULPHATE HYDRATE,013463-43-9,62712,iron(2+);sulfate;hydrate,O.[O-]S(=O)(=O)[O-].[Fe+2],"InChI=1S/Fe.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+2;;/p-2",XBDUTCVQJHJTQZ-UHFFFAOYSA-L,FeH2O5S,169.93,169.89723,,89.6,62,0,1,5,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-(BOC-AMINO)ETHYL BROMIDE,039684-80-5,4103526,tert-butyl N-(2-bromoethyl)carbamate,CC(C)(C)OC(=O)NCCBr,"InChI=1S/C7H14BrNO2/c1-7(2,3)11-6(10)9-5-4-8/h4-5H2,1-3H3,(H,9,10)",TZRQZPMQUXEZMC-UHFFFAOYSA-N,C7H14BrNO2,224.1,223.02079,1.7,38.3,131,0,1,2,4,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIMETHYLPHOSPHINE OXIDE,000676-96-0,69609,dimethylphosphorylmethane,CP(=O)(C)C,"InChI=1S/C3H9OP/c1-5(2,3)4/h1-3H3",LRMLWYXJORUTBG-UHFFFAOYSA-N,C3H9OP,92.08,92.0391019,-0.6,17.1,53,0,0,1,0,5,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIETHYLPHOSPHINE OXIDE,000597-50-2,79061,1-diethylphosphorylethane,CCP(=O)(CC)CC,"InChI=1S/C6H15OP/c1-4-8(7,5-2)6-3/h4-6H2,1-3H3",ZSSWXNPRLJLCDU-UHFFFAOYSA-N,C6H15OP,134.16,134.0860521,0.5,17.1,79,0,0,1,3,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BOC-1-METHYLHYDRAZINE,021075-83-2,3748280,tert-butyl N-amino-N-methylcarbamate,CC(C)(C)OC(=O)N(C)N,"InChI=1S/C6H14N2O2/c1-6(2,3)10-5(9)8(4)7/h7H2,1-4H3",IHMQNZFRFVYNDS-UHFFFAOYSA-N,C6H14N2O2,146.19,146.1055277,0.4,55.6,128,0,1,3,2,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PROPARGYL 2-BROMOISOBUTYRATE,040630-86-2,13396742,prop-2-ynyl 2-bromo-2-methylpropanoate,CC(C)(C(=O)OCC#C)Br,"InChI=1S/C7H9BrO2/c1-4-5-10-6(9)7(2,3)8/h1H,5H2,2-3H3",XTILOBFYTKJHJZ-UHFFFAOYSA-N,C7H9BrO2,205.05,203.97859,1.6,26.3,175,0,0,2,3,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ISOVALINE,000595-39-1,94744,2-amino-2-methylbutanoic acid,CCC(C)(C(=O)O)N,"InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)",GCHPUFAZSONQIV-UHFFFAOYSA-N,C5H11NO2,117.15,117.0789786,-2.3,63.3,103,0,2,3,2,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM METHANESULPHINATE,020277-69-4,2733271,sodium methanesulfinate,CS(=O)[O-].[Na+],"InChI=1S/CH4O2S.Na/c1-4(2)3;/h1H3,(H,2,3);/q;+1/p-1",LYPGDCWPTHTUDO-UHFFFAOYSA-M,CH3NaO2S,102.09,101.9751448,,59.3,36,0,0,3,0,5,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"LITHIUM (R)-3,5-DIHYDROXY-3-METHYLPENTANOATE",1255502-07-8,55296253,"lithium (3R)-3,5-dihydroxy-3-methylpentanoate",[Li+].C[C@@](CCO)(CC(=O)[O-])O,"InChI=1S/C6H12O4.Li/c1-6(10,2-3-7)4-5(8)9;/h7,10H,2-4H2,1H3,(H,8,9);/q;+1/p-1/t6-;/m1./s1",PVWNXFFXFNEHDZ-FYZOBXCZSA-M,C6H11LiO4,154.1,154.0817373,,80.6,128,0,2,4,4,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
7-((TERT-BUTOXYCARBONYL)AMINO)HEPTANOIC ACID,060142-89-4,546122,7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid,CC(C)(C)OC(=O)NCCCCCCC(=O)O,"InChI=1S/C12H23NO4/c1-12(2,3)17-11(16)13-9-7-5-4-6-8-10(14)15/h4-9H2,1-3H3,(H,13,16)(H,14,15)",HJENAZQPOGVAEK-UHFFFAOYSA-N,C12H23NO4,245.32,245.1627082,2,75.6,245,0,2,4,9,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TERT-BUTYL (2-(2-(2-(2-BROMOETHOXY)
ETHOXY)ETHOXY)ETHYL)CARBAMATE",1076199-21-7,29974540,tert-butyl N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]carbamate,CC(C)(C)OC(=O)NCCOCCOCCOCCBr,"InChI=1S/C13H26BrNO5/c1-13(2,3)20-12(16)15-5-7-18-9-11-19-10-8-17-6-4-14/h4-11H2,1-3H3,(H,15,16)",GNDQONYTPMGMTM-UHFFFAOYSA-N,C13H26BrNO5,356.25,355.09944,1.2,66,245,0,1,5,13,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-OXOBUTYRONITRILE,002469-99-0,75579,3-oxobutanenitrile,CC(=O)CC#N,"InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3",OPXYNEYEDHAXOM-UHFFFAOYSA-N,C4H5NO,83.09,83.03711378,-0.2,40.9,97,0,0,2,1,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"N,N'-(1,2-DIHYDROXY-1,2-ETHANEDIYL)BIS-2-PROPENAMIDE",000868-63-3,102501,"N-[1,2-dihydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide",C=CC(=O)NC(C(NC(=O)C=C)O)O,"InChI=1S/C8H12N2O4/c1-3-5(11)9-7(13)8(14)10-6(12)4-2/h3-4,7-8,13-14H,1-2H2,(H,9,11)(H,10,12)",ZMLXKXHICXTSDM-UHFFFAOYSA-N,C8H12N2O4,200.19,200.0797069,-1,98.7,226,0,4,4,5,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-AMINO-3,6,9,12-TETRAOXAPENTADECAN-15-OIC ACID",663921-15-1,22731902,3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoic acid,C(COCCOCCOCCOCCN)C(=O)O,"InChI=1S/C11H23NO6/c12-2-4-16-6-8-18-10-9-17-7-5-15-3-1-11(13)14/h1-10,12H2,(H,13,14)",DKUZHSDZSMQOGQ-UHFFFAOYSA-N,C11H23NO6,265.3,265.1525375,-4.1,100,190,0,2,7,14,18,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-CYANOPROPANOIC ACID, ETHYL ESTER",010137-67-4,82393,ethyl 3-cyanopropanoate,CCOC(=O)CCC#N,"InChI=1S/C6H9NO2/c1-2-9-6(8)4-3-5-7/h2-4H2,1H3",BFSBTNGKMMFQNL-UHFFFAOYSA-N,C6H9NO2,127.14,127.0633285,0.1,50.1,133,0,0,3,4,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEXANOIC ACID, HYDRAZIDE",002443-62-1,75548,hexanehydrazide,CCCCCC(=O)NN,"InChI=1S/C6H14N2O/c1-2-3-4-5-6(9)8-7/h2-5,7H2,1H3,(H,8,9)",QKWRNBNHSRYCOE-UHFFFAOYSA-N,C6H14N2O,130.19,130.1106131,0.5,55.1,83,0,2,2,4,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-PROPYNAMIDE,007341-96-0,101445,prop-2-ynamide,C#CC(=O)N,"InChI=1S/C3H3NO/c1-2-3(4)5/h1H,(H2,4,5)",HCJTYESURSHXNB-UHFFFAOYSA-N,C3H3NO,69.06,69.02146372,-0.4,43.1,86,0,1,1,0,5,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BROMO-N,N-DIMETHYLETHANAMINE HYDROBROMIDE",002862-39-7,45791347,"2-bromo-N,N-dimethylethanamine;hydrobromide",CN(C)CCBr.Br,"InChI=1S/C4H10BrN.BrH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H",MFRUVSDIZTZFFL-UHFFFAOYSA-N,C4H11Br2N,232.94,232.92378,,3.2,28,0,1,1,2,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
8-NONENOIC ACID,031642-67-8,35860,non-8-enoic acid,C=CCCCCCCC(=O)O,"InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h2H,1,3-8H2,(H,10,11)",AWQOXJOAQMCOED-UHFFFAOYSA-N,C9H16O2,156.22,156.1150297,2.8,37.3,119,0,1,2,7,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRA-N-BUTYLAMMONIUM DECATUNGSTATE,068109-03-5,162343862,bis(dioxido(dioxo)tungsten);tetrakis(tetrabutylazanium),CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.[O-][W](=O)(=O)[O-].[O-][W](=O)(=O)[O-],"InChI=1S/4C16H36N.8O.2W/c4*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;;;;;;/h4*5-16H2,1-4H3;;;;;;;;;;/q4*+1;;;;;4*-1;;",MTUFIVJNZGDRJN-UHFFFAOYSA-N,C64H144N4O8W2,1465.5,1467.00372,,161,178,0,0,8,48,78,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2'-(CARBONOTHIOYLDISULFANEDIYL)BIS(2-METHYLPROPANOIC ACID)",355120-40-0,12135681,2-(2-carboxypropan-2-ylsulfanylcarbothioylsulfanyl)-2-methylpropanoic acid,CC(C)(C(=O)O)SC(=S)SC(C)(C)C(=O)O,"InChI=1S/C9H14O4S3/c1-8(2,5(10)11)15-7(14)16-9(3,4)6(12)13/h1-4H3,(H,10,11)(H,12,13)",KFNUBPMMXWWWGU-UHFFFAOYSA-N,C9H14O4S3,282.4,282.0054224,2.6,157,293,0,2,7,6,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYLENEDIAMINETETRAACETIC ACID TETRASODIUM HYDRATE,013235-36-4,23287279,tetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;tetrahydrate,C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.O.O.O.[Na+].[Na+].[Na+].[Na+],"InChI=1S/C10H16N2O8.4Na.4H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;;4*1H2/q;4*+1;;;;/p-4",XFLNVMPCPRLYBE-UHFFFAOYSA-J,C10H20N2Na4O12,452.23,452.0607012,,171,293,0,4,14,7,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MEPROBAMATE,000057-53-4,4064,[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate,CCCC(C)(COC(=O)N)COC(=O)N,"InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)",NPPQSCRMBWNHMW-UHFFFAOYSA-N,C9H18N2O4,218.25,218.1266571,0.7,105,212,0,2,4,8,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-PROPANAMINIUM, 2-(ACETYLOXY)-N,N,N-TRIMETHYL-, CHLORIDE",000062-51-1,6114,2-acetyloxypropyl(trimethyl)azanium chloride,CC(C[N+](C)(C)C)OC(=O)C.[Cl-],"InChI=1S/C8H18NO2.ClH/c1-7(11-8(2)10)6-9(3,4)5;/h7H,6H2,1-5H3;1H/q+1;/p-1",JHPHVAVFUYTVCL-UHFFFAOYSA-M,C8H18ClNO2,195.69,195.1026065,,26.3,138,0,0,3,4,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MEBUTAMATE (CAPLA),000064-55-1,6151,"[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate",CCC(C)C(C)(COC(=O)N)COC(=O)N,"InChI=1S/C10H20N2O4/c1-4-7(2)10(3,5-15-8(11)13)6-16-9(12)14/h7H,4-6H2,1-3H3,(H2,11,13)(H2,12,14)",LEROTMJVBFSIMP-UHFFFAOYSA-N,C10H20N2O4,232.28,232.1423071,1.4,105,237,0,2,4,8,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-PROPANOL, 2-METHYL-2-NITRO-",000076-39-1,6442,2-methyl-2-nitropropan-1-ol,CC(C)(CO)[N+](=O)[O-],"InChI=1S/C4H9NO3/c1-4(2,3-6)5(7)8/h6H,3H2,1-2H3",MVGJRISPEUZYAQ-UHFFFAOYSA-N,C4H9NO3,119.12,119.0582431,-0.1,66.1,93,0,1,3,1,8,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-PROPANEDIOL, 2-METHYL-2-PROPYL-",000078-26-2,66220,"2-methyl-2-propylpropane-1,3-diol",CCCC(C)(CO)CO,"InChI=1S/C7H16O2/c1-3-4-7(2,5-8)6-9/h8-9H,3-6H2,1-2H3",JVZZUPJFERSVRN-UHFFFAOYSA-N,C7H16O2,132.2,132.1150297,0.9,40.5,67,0,2,2,4,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
ISOPROPYLCARBAMIC ACID 2-(HYDROXYMETHYL)-METHYLPENTYL ESTER CARBAMATE (ESTER),000078-44-4,2576,[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate,CCCC(C)(COC(=O)N)COC(=O)NC(C)C,"InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)",OFZCIYFFPZCNJE-UHFFFAOYSA-N,C12H24N2O4,260.33,260.1736073,1.9,90.7,281,0,2,4,9,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANE, 1,1,2-TRIBROMO-",000078-74-0,66222,"1,1,2-tribromoethane",C(C(Br)Br)Br,"InChI=1S/C2H3Br3/c3-1-2(4)5/h2H,1H2",QUMDOMSJJIFTCA-UHFFFAOYSA-N,C2H3Br3,266.76,265.77644,2.7,0,18,0,0,0,1,5,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-Hexadienoic acid, 3-methoxy-5-methyl-4-oxo-",000090-65-3,1268111,"(2Z)-3-methoxy-5-methyl-4-oxohexa-2,5-dienoic acid",CC(=C)C(=O)/C(=C/C(=O)O)/OC,"InChI=1S/C8H10O4/c1-5(2)8(11)6(12-3)4-7(9)10/h4H,1H2,2-3H3,(H,9,10)/b6-4-",VOUGEZYPVGAPBB-XQRVVYSFSA-N,C8H10O4,170.16,170.0579088,0.9,63.6,250,0,1,4,4,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"THIOPEROXYDICARBONIC ACID ([(HO)C(S)]2S2), DIBUTYL ESTER",000105-77-1,66926,O-butyl (butoxycarbothioyldisulfanyl)methanethioate,CCCCOC(=S)SSC(=S)OCCCC,"InChI=1S/C10H18O2S4/c1-3-5-7-11-9(13)15-16-10(14)12-8-6-4-2/h3-8H2,1-2H3",QCAZHHXMIVSLMW-UHFFFAOYSA-N,C10H18O2S4,298.5,298.0189645,5,133,187,0,0,6,11,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-PROPENAMIDE, N-(1,1-DIMETHYLETHYL)-",000107-58-4,7877,N-tert-butylprop-2-enamide,CC(C)(C)NC(=O)C=C,"InChI=1S/C7H13NO/c1-5-6(9)8-7(2,3)4/h5H,1H2,2-4H3,(H,8,9)",XFHJDMUEHUHAJW-UHFFFAOYSA-N,C7H13NO,127.18,127.099714,1.1,29.1,121,0,1,1,2,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANEDIOIC ACID, POTASSIUM SALT (2:1)",000127-96-8,22474,potassium;2-hydroxy-2-oxoacetate;oxalic acid,C(=O)(C(=O)O)O.C(=O)(C(=O)[O-])O.[K+],"InChI=1S/2C2H2O4.K/c2*3-1(4)2(5)6;/h2*(H,3,4)(H,5,6);/q;;+1/p-1",GANDVAJEIJXBQJ-UHFFFAOYSA-M,C4H3KO8,218.16,217.9464985,,152,159,0,3,8,2,13,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-deoxy-1-(methylamino)-D-Glucitol trioxoantimonate(1-),000133-51-7,64953,"hydroxy(dioxo)-lambda5-stibane;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol",CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.O[Sb](=O)=O,"InChI=1S/C7H17NO5.H2O.2O.Sb/c1-8-2-4(10)6(12)7(13)5(11)3-9;;;;/h4-13H,2-3H2,1H3;1H2;;;/q;;;;+1/p-1/t4-,5+,6+,7+;;;;/m0..../s1",XOGYVDXPYVPAAQ-SESJOKTNSA-M,C7H18NO8Sb,365.98,365.00705,,168,180,0,7,9,6,17,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"GLYCINE, N-(CARBOXYMETHYL)-N-(2-HYDROXYETHYL)-, DISODIUM SALT",000135-37-5,8670,disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate,C(CO)N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+],"InChI=1S/C6H11NO5.2Na/c8-2-1-7(3-5(9)10)4-6(11)12;;/h8H,1-4H2,(H,9,10)(H,11,12);;/q;2*+1/p-2",ZTVCAEHRNBOTLI-UHFFFAOYSA-L,C6H9NNa2O5,221.12,221.027611,,104,142,0,1,6,4,14,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"HEXANEDIOIC ACID, BIS(2-BUTOXYETHYL) ESTER",000141-18-4,8837,bis(2-butoxyethyl) hexanedioate,CCCCOCCOC(=O)CCCCC(=O)OCCOCCCC,"InChI=1S/C18H34O6/c1-3-5-11-21-13-15-23-17(19)9-7-8-10-18(20)24-16-14-22-12-6-4-2/h3-16H2,1-2H3",IHTSDBYPAZEUOP-UHFFFAOYSA-N,C18H34O6,346.5,346.2355388,2.8,71.1,276,0,0,6,19,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"CARBAMOTHIOIC ACID, ETHYL-, O-(1-METHYLETHYL) ESTER",000141-98-0,3032295,O-propan-2-yl N-ethylcarbamothioate,CCNC(=S)OC(C)C,"InChI=1S/C6H13NOS/c1-4-7-6(9)8-5(2)3/h5H,4H2,1-3H3,(H,7,9)",KIACEOHPIRTHMI-UHFFFAOYSA-N,C6H13NOS,147.24,147.0717852,1.7,53.4,93,0,1,2,3,9,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0
"2,5,8,10-TETRAOXATRIDEC-12-ENOIC ACID, 9-OXO-, 2-PROPENYL ESTER",000142-22-3,8879,2-(2-prop-2-enoxycarbonyloxyethoxy)ethyl prop-2-enyl carbonate,C=CCOC(=O)OCCOCCOC(=O)OCC=C,"InChI=1S/C12H18O7/c1-3-5-16-11(13)18-9-7-15-8-10-19-12(14)17-6-4-2/h3-4H,1-2,5-10H2",JHQVCQDWGSXTFE-UHFFFAOYSA-N,C12H18O7,274.27,274.1052529,2,80.3,260,0,0,7,14,19,,160 °C (4 mm Hg),1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,2-HYDRAZINEDICARBOTHIOAMIDE",000142-46-1,2724564,(carbamothioylamino)thiourea,C(=S)(N)NNC(=S)N,"InChI=1S/C2H6N4S2/c3-1(7)5-6-2(4)8/h(H3,3,5,7)(H3,4,6,8)",KCOYHFNCTWXETP-UHFFFAOYSA-N,C2H6N4S2,150.23,150.0033886,-0.9,140,96,0,4,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CARBAMODITHIOIC ACID, DIETHYL-",000147-84-2,8987,diethylcarbamodithioic acid,CCN(CC)C(=S)S,"InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)",LMBWSYZSUOEYSN-UHFFFAOYSA-N,C5H11NS2,149.3,149.0332917,1.6,36.3,78,0,1,2,2,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"IRON, BIS(D-GLUCONATO-O1,O2)-",000299-29-6,23616740,"iron(2+);bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)",C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Fe+2],"InChI=1S/2C6H12O7.Fe/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1",VRIVJOXICYMTAG-IYEMJOQQSA-L,C12H22FeO14,446.14,446.035891,,283,165,0,10,14,8,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,1-PROPANEDIOL, 2,2,3,3,3-PENTAFLUORO-",000422-63-9,67913,"2,2,3,3,3-pentafluoropropane-1,1-diol",C(C(C(F)(F)F)(F)F)(O)O,"InChI=1S/C3H3F5O2/c4-2(5,1(9)10)3(6,7)8/h1,9-10H",BQAOCAJBGDDVSL-UHFFFAOYSA-N,C3H3F5O2,166.05,166.0053201,0.8,40.5,117,0,2,7,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANE, 1-BROMO-1,1,2,2,3,3,3-HEPTAFLUORO-",000422-85-5,67916,"1-bromo-1,1,2,2,3,3,3-heptafluoropropane",C(C(F)(F)F)(C(F)(F)Br)(F)F,"InChI=1S/C3BrF7/c4-2(7,8)1(5,6)3(9,10)11",LANNRYWUUQMNPF-UHFFFAOYSA-N,C3BrF7,248.92,247.90716,3.5,0,146,0,0,7,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"GLYCINE, N-(AMINOCARBONYL)-",000462-60-2,10020,2-(carbamoylamino)acetic acid,C(C(=O)O)NC(=O)N,"InChI=1S/C3H6N2O3/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8)",KZVRXPPUJQRGFN-UHFFFAOYSA-N,C3H6N2O3,118.09,118.0378421,-1.4,92.4,111,0,3,3,2,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
THIOCYANIC ACID,000463-56-9,781,thiocyanic acid,C(#N)S,InChI=1S/CHNS/c2-1-3/h3H,ZMZDMBWJUHKJPS-UHFFFAOYSA-N,CHNS,59.09,58.98297021,0.6,24.8,31,0,1,2,0,3,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANAMIDE, N-(AMINOCARBONYL)-2-BROMO-3-METHYL-",000496-67-3,2447,2-bromo-N-carbamoyl-3-methylbutanamide,CC(C)C(C(=O)NC(=O)N)Br,"InChI=1S/C6H11BrN2O2/c1-3(2)4(7)5(10)9-6(8)11/h3-4H,1-2H3,(H3,8,9,10,11)",CMCCHHWTTBEZNM-UHFFFAOYSA-N,C6H11BrN2O2,223.07,222.00039,1.1,72.2,170,0,2,2,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"THIOPEROXYDICARBONIC ACID ([(HO)C(S)]2S2), DIETHYL ESTER",000502-55-6,10404,O-ethyl (ethoxycarbothioyldisulfanyl)methanethioate,CCOC(=S)SSC(=S)OCC,"InChI=1S/C6H10O2S4/c1-3-7-5(9)11-12-6(10)8-4-2/h3-4H2,1-2H3",FVIGODVHAVLZOO-UHFFFAOYSA-N,C6H10O2S4,242.4,241.9563643,3.2,133,142,0,0,6,7,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"SULFURIC ACID, MONOMETHYL ESTER, SODIUM SALT",000512-42-5,2735086,sodium methyl sulfate,COS(=O)(=O)[O-].[Na+],"InChI=1S/CH4O4S.Na/c1-5-6(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1",DZXBHDRHRFLQCJ-UHFFFAOYSA-M,CH3NaO4S,134.09,133.964974,,74.8,108,0,0,4,1,7,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHENE, TETRAIODO-",000513-92-8,10568,"1,1,2,2-tetraiodoethene",C(=C(I)I)(I)I,InChI=1S/C2I4/c3-1(4)2(5)6,ZGQURDGVBSSDNF-UHFFFAOYSA-N,C2I4,531.64,531.6179,4.1,0,55,0,0,0,0,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, TRICHLORO-, ETHYL ESTER",000515-84-4,10588,"ethyl 2,2,2-trichloroacetate",CCOC(=O)C(Cl)(Cl)Cl,"InChI=1S/C4H5Cl3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3",SJMLNDPIJZBEKY-UHFFFAOYSA-N,C4H5Cl3O2,191.44,189.935512,2.4,26.3,107,0,0,2,2,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"COPPER, BIS(D-GLUCONATO-O1,O2)-",000527-09-3,10692,"copper bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)",C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Cu+2],"InChI=1S/2C6H12O7.Cu/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1",OCUCCJIRFHNWBP-IYEMJOQQSA-L,C12H22CuO14,453.84,453.030552,,283,165,0,10,14,8,27,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,0
"BUTANE, 1,2-DIBROMO-",000533-98-2,10792,"1,2-dibromobutane",CCC(CBr)Br,"InChI=1S/C4H8Br2/c1-2-4(6)3-5/h4H,2-3H2,1H3",CZWSZZHGSNZRMW-UHFFFAOYSA-N,C4H8Br2,215.91,215.89723,2.7,0,28,0,0,0,2,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SULFURIC ACID, MONOETHYL ESTER, SODIUM SALT",000546-74-7,23680278,sodium ethyl sulfate,CCOS(=O)(=O)[O-].[Na+],"InChI=1S/C2H6O4S.Na/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+1/p-1",RRLOOYQHUHGIRJ-UHFFFAOYSA-M,C2H5NaO4S,148.12,147.9806241,,74.8,121,0,0,4,2,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
DIIMIDOTRICARBONIC DIAMIDE,000556-99-0,68400,"1,3-dicarbamoylurea",C(=O)(N)NC(=O)NC(=O)N,"InChI=1S/C3H6N4O3/c4-1(8)6-3(10)7-2(5)9/h(H6,4,5,6,7,8,9,10)",WNVQBUHCOYRLPA-UHFFFAOYSA-N,C3H6N4O3,146.11,146.0439901,-1.3,127,159,0,4,3,0,10,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"UREA, 2-PROPENYL-",000557-11-9,11181,prop-2-enylurea,C=CCNC(=O)N,"InChI=1S/C4H8N2O/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)",VPJDULFXCAQHRC-UHFFFAOYSA-N,C4H8N2O,100.12,100.0636629,-0.4,55.1,79,0,2,1,2,7,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"THIOCYANIC ACID, ZINC SALT",000557-42-6,68405,zinc dithiocyanate,C(#N)[S-].C(#N)[S-].[Zn+2],InChI=1S/2CHNS.Zn/c2*2-1-3;/h2*3H;/q;;+2/p-2,MLVWCBYTEFCFSG-UHFFFAOYSA-L,C2N2S2Zn,181.5,179.879432,,49.6,31,0,0,4,0,7,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANEDIOIC ACID, CALCIUM SALT (1:1)",000563-72-4,33005,calcium oxalate,C(=O)(C(=O)[O-])[O-].[Ca+2],"InChI=1S/C2H2O4.Ca/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",QXDMQSPYEZFLGF-UHFFFAOYSA-L,C2CaO4,128.1,127.9422493,,80.3,60,0,0,4,0,7,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"UREA, (AMINOIMINOMETHYL)-, SULFATE (2:1)",000591-01-5,11555,bis(diaminomethylideneurea);sulfuric acid,C(=NC(=O)N)(N)N.C(=NC(=O)N)(N)N.OS(=O)(=O)O,"InChI=1S/2C2H6N4O.H2O4S/c2*3-1(4)6-2(5)7;1-5(2,3)4/h2*(H6,3,4,5,6,7);(H2,1,2,3,4)",IATXFPUBPMZBPH-UHFFFAOYSA-N,C4H14N8O6S,302.27,302.0757014,,298,184,0,8,6,0,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANE, 1,2-DIBROMO-2-METHYL-",000594-34-3,222657,"1,2-dibromo-2-methylpropane",CC(C)(CBr)Br,"InChI=1S/C4H8Br2/c1-4(2,6)3-5/h3H2,1-2H3",SDTXSEXYPROZSZ-UHFFFAOYSA-N,C4H8Br2,215.91,215.89723,2.4,0,40,0,0,0,1,6,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, 2,2,2-TRICHLORO-",000594-65-0,61144,"2,2,2-trichloroacetamide",C(=O)(C(Cl)(Cl)Cl)N,"InChI=1S/C2H2Cl3NO/c3-2(4,5)1(6)7/h(H2,6,7)",UPQQXPKAYZYUKO-UHFFFAOYSA-N,C2H2Cl3NO,162.4,160.920197,1,43.1,85,0,1,1,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANEDIOIC ACID, DIBUTYL-, DIETHYL ESTER",000596-75-8,69000,"diethyl 2,2-dibutylpropanedioate",CCCCC(CCCC)(C(=O)OCC)C(=O)OCC,"InChI=1S/C15H28O4/c1-5-9-11-15(12-10-6-2,13(16)18-7-3)14(17)19-8-4/h5-12H2,1-4H3",WHKKUUPZLWUOIW-UHFFFAOYSA-N,C15H28O4,272.38,272.1987594,4.7,52.6,245,0,0,4,12,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-HEXANOL, 3-METHYL-",000597-96-6,11708,3-methylhexan-3-ol,CCCC(C)(CC)O,"InChI=1S/C7H16O/c1-4-6-7(3,8)5-2/h8H,4-6H2,1-3H3",KYWJZCSJMOILIZ-UHFFFAOYSA-N,C7H16O,116.2,116.1201151,1.9,20.2,61,0,1,1,3,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"GUANIDINE, METHYL-, SULFATE (2:1)",000598-12-9,71501,bis(2-methylguanidine);sulfuric acid,CN=C(N)N.CN=C(N)N.OS(=O)(=O)O,"InChI=1S/2C2H7N3.H2O4S/c2*1-5-2(3)4;1-5(2,3)4/h2*1H3,(H4,3,4,5);(H2,1,2,3,4)",WTYJBGQERCCGAD-UHFFFAOYSA-N,C4H16N6O4S,244.28,244.0953742,,212,124,0,6,6,0,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHENE, TRIBROMO-",000598-16-3,11712,"1,1,2-tribromoethene",C(=C(Br)Br)Br,InChI=1S/C2HBr3/c3-1-2(4)5/h1H,OZVJKTHTULCNHB-UHFFFAOYSA-N,C2HBr3,264.74,263.76079,3.2,0,42,0,0,0,0,5,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"UREA, PROPYL-",000627-06-5,12303,propylurea,CCCNC(=O)N,"InChI=1S/C4H10N2O/c1-2-3-6-4(5)7/h2-3H2,1H3,(H3,5,6,7)",ZQZJKHIIQFPZCS-UHFFFAOYSA-N,C4H10N2O,102.14,102.0793129,0.1,55.1,62,0,2,1,2,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbamic acid, propyl ester",000627-12-3,12306,propyl carbamate,CCCOC(=O)N,"InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)",YNTOKMNHRPSGFU-UHFFFAOYSA-N,C4H9NO2,103.12,103.0633285,0.4,52.3,62,0,1,2,3,7,,196 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-ETHANEDIOL, MONOFORMATE",000628-35-3,69404,2-hydroxyethyl formate,C(COC=O)O,"InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2",UKQJDWBNQNAJHB-UHFFFAOYSA-N,C3H6O3,90.08,90.03169405,-0.6,46.5,35,0,1,3,3,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"THIOCYANIC ACID, 1,2-ETHANEDIYL ESTER",000629-17-4,69416,2-thiocyanatoethyl thiocyanate,C(CSC#N)SC#N,InChI=1S/C4H4N2S2/c5-3-7-1-2-8-4-6/h1-2H2,LILPOSVDSDEBCD-UHFFFAOYSA-N,C4H4N2S2,144.2,143.9815905,1.6,98.2,119,0,0,4,3,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"DISULFIDE, DIPROPYL",000629-19-6,12377,1-(propyldisulfanyl)propane,CCCSSCCC,"InChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3",ALVPFGSHPUPROW-UHFFFAOYSA-N,C6H14S2,150.3,150.0536928,2.7,50.6,31,0,0,2,5,8,151 °F,193.00 to 195.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
TRIDECANENITRILE,000629-60-7,12390,tridecanenitrile,CCCCCCCCCCCCC#N,"InChI=1S/C13H25N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-12H2,1H3",WKJHMKQSIBMURP-UHFFFAOYSA-N,C13H25N,195.34,195.1986998,5.3,23.8,143,0,0,1,10,14,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANETHIOAMIDE, N,N-DIMETHYL-",000631-67-4,12434,"N,N-dimethylethanethioamide",CC(=S)N(C)C,InChI=1S/C4H9NS/c1-4(6)5(2)3/h1-3H3,LKNQXZAHNDFIQY-UHFFFAOYSA-N,C4H9NS,103.19,103.0455705,0.3,35.3,58,0,0,1,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Biguanide, 1,1-dimethyl-",000657-24-9,4091,"3-(diaminomethylidene)-1,1-dimethylguanidine",CN(C)C(=N)N=C(N)N,"InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)",XZWYZXLIPXDOLR-UHFFFAOYSA-N,C4H11N5,129.16,129.1014454,-1.3,91.5,132,0,3,1,2,9,,224.1ºC at 760 mmHg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, DICHLORO-, COMPD. WITH N-(1-METHYLETHYL)-2-PROPANAMINE(1:1)",000660-27-5,12617,"2,2-dichloroacetic acid;N-propan-2-ylpropan-2-amine",CC(C)NC(C)C.C(C(=O)O)(Cl)Cl,"InChI=1S/C6H15N.C2H2Cl2O2/c1-5(2)7-6(3)4;3-1(4)2(5)6/h5-7H,1-4H3;1H,(H,5,6)",ILKBHIBYKSHTKQ-UHFFFAOYSA-N,C8H17Cl2NO2,230.13,229.0636342,,49.3,94,0,2,3,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANAMIDE, 2,2,3,3,4,4,4-HEPTAFLUORO-",000662-50-0,12626,"2,2,3,3,4,4,4-heptafluorobutanamide",C(=O)(C(C(C(F)(F)F)(F)F)(F)F)N,"InChI=1S/C4H2F7NO/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H2,12,13)",FOBJABJCODOMEO-UHFFFAOYSA-N,C4H2F7NO,213.05,213.0024608,1.6,43.1,219,0,1,8,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"UREA, (1-METHYLPROPYL)-",000689-11-2,12715,butan-2-ylurea,CCC(C)NC(=O)N,"InChI=1S/C5H12N2O/c1-3-4(2)7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)",CBRSBDUOPJQVMP-UHFFFAOYSA-N,C5H12N2O,116.16,116.094963,0.3,55.1,82,0,2,1,2,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"UREA, (1-METHYLETHYL)-",000691-60-1,12725,propan-2-ylurea,CC(C)NC(=O)N,"InChI=1S/C4H10N2O/c1-3(2)6-4(5)7/h3H,1-2H3,(H3,5,6,7)",LZMATGARSSLFMQ-UHFFFAOYSA-N,C4H10N2O,102.14,102.0793129,-0.2,55.1,70,0,2,1,1,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANETHIOAMIDE, N,N-DIMETHYL-",000758-16-7,69794,"N,N-dimethylmethanethioamide",CN(C)C=S,"InChI=1S/C3H7NS/c1-4(2)3-5/h3H,1-2H3",SKECXRFZFFAANN-UHFFFAOYSA-N,C3H7NS,89.16,89.0299204,0.3,35.3,33,0,0,1,0,5,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANE, 2-BROMO-1,1,3-TRIMETHOXY-",000759-97-7,94187,"2-bromo-1,1,3-trimethoxypropane",COCC(C(OC)OC)Br,"InChI=1S/C6H13BrO3/c1-8-4-5(7)6(9-2)10-3/h5-6H,4H2,1-3H3",GAFSXURUCDQGFB-UHFFFAOYSA-N,C6H13BrO3,213.07,212.00481,0.8,27.7,75,0,0,3,5,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-PROPANEDITHIOL",000814-67-5,61217,"propane-1,2-dithiol",CC(CS)S,"InChI=1S/C3H8S2/c1-3(5)2-4/h3-5H,2H2,1H3",YGKHJWTVMIMEPQ-UHFFFAOYSA-N,C3H8S2,108.23,108.0067426,1.2,2,20,0,2,2,1,5,,152.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"[R-(R*,R*)]-2,3-DIHYDROXYBUTANEDIOIC ACID, COPPER(2+) SALT (1:1)",000815-82-7,13155,"copper (2R,3R)-2,3-dihydroxybutanedioate",[C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O.[Cu+2],"InChI=1S/C4H6O6.Cu/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+2/p-2/t1-,2-;/m1./s1",RSJOBNMOMQFPKQ-ZVGUSBNCSA-L,C4H4CuO6,211.62,210.930385,,121,123,0,2,6,1,11,,"Trihydrate decomposes on heating (USCG, 1999)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-OCTYN-3-OL,000818-72-4,13166,oct-1-yn-3-ol,CCCCCC(C#C)O,"InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h2,8-9H,3,5-7H2,1H3",VUGRNZHKYVHZSN-UHFFFAOYSA-N,C8H14O,126.2,126.1044651,2,20.2,98,0,1,1,4,9,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, COPPER(2+) SALT (1:2)",000866-82-0,14454876,"dicopper;2-oxidopropane-1,2,3-tricarboxylate",C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])[O-].[Cu+2].[Cu+2],"InChI=1S/C6H7O7.2Cu/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q-1;2*+2/p-3",FWBOFUGDKHMVPI-UHFFFAOYSA-K,C6H4Cu2O7,315.18,313.854897,,143,211,0,0,7,2,15,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"9-OCTADECEN-1-AMINIUM, N-(CARBOXYMETHYL)-N,N-DIMETHYL-, INNER SALT,(Z)-",000871-37-4,101885,2-[dimethyl(octadec-9-enyl)azaniumyl]acetate,CCCCCCCCC=CCCCCCCCC[N+](C)(C)CC(=O)[O-],"InChI=1S/C22H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(2,3)21-22(24)25/h11-12H,4-10,13-21H2,1-3H3",AMRBZKOCOOPYNY-UHFFFAOYSA-N,C22H43NO2,353.6,353.3293796,8.4,40.1,331,0,0,2,17,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANENITRILE, 3-MERCAPTO-",001001-58-7,70477,3-sulfanylpropanenitrile,C(CS)C#N,"InChI=1S/C3H5NS/c4-2-1-3-5/h5H,1,3H2",FCTXEFOUDMXDPD-UHFFFAOYSA-N,C3H5NS,87.15,87.01427034,0.2,24.8,51,0,1,2,1,5,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANEDIOIC ACID, (ACETYLAMINO)-, DIETHYL ESTER",001068-90-2,14041,diethyl 2-acetamidopropanedioate,CCOC(=O)C(C(=O)OCC)NC(=O)C,"InChI=1S/C9H15NO5/c1-4-14-8(12)7(10-6(3)11)9(13)15-5-2/h7H,4-5H2,1-3H3,(H,10,11)",ISOLMABRZPQKOV-UHFFFAOYSA-N,C9H15NO5,217.22,217.0950226,0.3,81.7,233,0,1,5,7,15,,185 °C @ 20 MM HG,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CARBAMTHIOIC ACID, BUTYLETHYL-, S-PROPYL ESTER",001114-71-2,14215,S-propyl N-butyl-N-ethylcarbamothioate,CCCCN(CC)C(=O)SCCC,"InChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3",SGEJQUSYQTVSIU-UHFFFAOYSA-N,C10H21NOS,203.35,203.1343855,3.8,45.6,139,0,0,2,7,13,124 °F (OPEN CUP),142 °C at 20 mm Hg,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-PROPENAMIDE, N-METHYL-",001187-59-3,14471,N-methylprop-2-enamide,CNC(=O)C=C,"InChI=1S/C4H7NO/c1-3-4(6)5-2/h3H,1H2,2H3,(H,5,6)",YPHQUSNPXDGUHL-UHFFFAOYSA-N,C4H7NO,85.1,85.05276385,0.1,29.1,67,0,1,1,1,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, (ACETYLTHIO)-",001190-93-8,14485,2-acetylsulfanylacetic acid,CC(=O)SCC(=O)O,"InChI=1S/C4H6O3S/c1-3(5)8-2-4(6)7/h2H2,1H3,(H,6,7)",QSBWDKUBOZHGOU-UHFFFAOYSA-N,C4H6O3S,134.16,134.0037652,0.3,79.7,110,0,1,4,3,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
IRIDIUM OXIDE (IR2O3),001312-46-5,9845673,bis(iridium(3+));tris(oxygen(2-)),[O-2].[O-2].[O-2].[Ir+3].[Ir+3],InChI=1S/2Ir.3O/q2*+3;3*-2,LUXYLEKXHLMESQ-UHFFFAOYSA-N,Ir2O3,432.43,431.90826,,3,0,0,0,3,0,5,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"SULFURIC ACID, COPPER SALT, BASIC",001344-73-6,20308382,copper(1+);hydrogen sulfate,OS(=O)(=O)[O-].[Cu+],"InChI=1S/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+1;/p-1",WGPGAHKREIDQEE-UHFFFAOYSA-M,CuHO4S,160.62,159.889152,,85.8,76,0,1,4,0,6,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
ETHANESULFONAMIDE,001520-70-3,73702,ethanesulfonamide,CCS(=O)(=O)N,"InChI=1S/C2H7NO2S/c1-2-6(3,4)5/h2H2,1H3,(H2,3,4,5)",ZCRZCMUDOWDGOB-UHFFFAOYSA-N,C2H7NO2S,109.15,109.0197496,-0.7,68.5,108,0,1,3,1,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANEDIOIC ACID, SULFO-, 1,4-DIOCTYL ESTER, SODIUM SALT",001639-66-3,517065,"sodium 1,4-dioctoxy-1,4-dioxobutane-2-sulfonate",CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)[O-].[Na+],"InChI=1S/C20H38O7S.Na/c1-3-5-7-9-11-13-15-26-19(21)17-18(28(23,24)25)20(22)27-16-14-12-10-8-6-4-2;/h18H,3-17H2,1-2H3,(H,23,24,25);/q;+1/p-1",RCIJACVHOIKRAP-UHFFFAOYSA-M,C20H37NaO7S,444.6,444.215769,,118,517,0,0,7,20,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-BUTADIENE, 2,3-DICHLORO-",001653-19-6,15447,"2,3-dichlorobuta-1,3-diene",C=C(C(=C)Cl)Cl,InChI=1S/C4H4Cl2/c1-3(5)4(2)6/h1-2H2,LIFLRQVHKGGNSG-UHFFFAOYSA-N,C4H4Cl2,122.98,121.9690055,2.7,0,71,0,0,0,1,6,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,6-HEXANETRICARBONITRILE",001772-25-4,15678,"hexane-1,3,6-tricarbonitrile",C(CC#N)CC(CCC#N)C#N,"InChI=1S/C9H11N3/c10-6-2-1-4-9(8-12)5-3-7-11/h9H,1-5H2",LNLFLMCWDHZINJ-UHFFFAOYSA-N,C9H11N3,161.2,161.0952974,0.4,71.4,253,0,0,3,5,12,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"METHANE, DIBROMOFLUORO (C H F BR2)",001868-53-7,61280,dibromo(fluoro)methane,C(F)(Br)Br,InChI=1S/CHBr2F/c2-1(3)4/h1H,LTUTVFXOEGMHMP-UHFFFAOYSA-N,CHBr2F,191.82,191.84085,2.4,0,13,0,0,1,0,4,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-HEXANOL, 3,3,4,4,5,5,6,6,6-NONAFLUORO-",002043-47-2,74883,"3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol",C(CO)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C6H5F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h16H,1-2H2",JCMNMOBHVPONLD-UHFFFAOYSA-N,C6H5F9O,264.09,264.0196682,3,20.2,243,0,1,10,4,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-PENTENAL,002100-17-6,16418,pent-4-enal,C=CCCC=O,"InChI=1S/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2",QUMSUJWRUHPEEJ-UHFFFAOYSA-N,C5H8O,84.12,84.05751487,0.8,17.1,47,0,0,1,3,6,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANAL, 3-HYDROXY-",002134-29-4,75049,3-hydroxypropanal,C(CO)C=O,"InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2",AKXKFZDCRYJKTF-UHFFFAOYSA-N,C3H6O2,74.08,74.03677943,-1,37.3,26,0,1,2,2,5,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
UNDECANENITRILE,002244-07-7,16722,undecanenitrile,CCCCCCCCCCC#N,"InChI=1S/C11H21N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-10H2,1H3",SZKKNEOUHLFYNA-UHFFFAOYSA-N,C11H21N,167.29,167.1673997,4.2,23.8,120,0,0,1,8,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BIS(1-METHYLEHTYL)CARBAMOTHIOIC ACID, S-(2,3,3-TRICHLORO-2-PROPENYL)ESTER",002303-17-5,5543,"S-(2,3,3-trichloroprop-2-enyl) N,N-di(propan-2-yl)carbamothioate",CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl,"InChI=1S/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3",MWBPRDONLNQCFV-UHFFFAOYSA-N,C10H16Cl3NOS,304.7,303.001818,4.4,45.6,267,0,0,2,5,16,90 °C c.c.,BP: 117 °C at 0.3 mm Hg,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
"GLYCINE, N,N-BIS(CARBOXYMETHYL)-, TRIPOTASSIUM SALT",002399-85-1,16977,tripotassium;2-[bis(carboxylatomethyl)amino]acetate,C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+],"InChI=1S/C6H9NO6.3K/c8-4(9)1-7(2-5(10)11)3-6(12)13;;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);;;/q;3*+1/p-3",JEVFKQIDHQGBFB-UHFFFAOYSA-K,C6H6K3NO6,305.41,304.9106314,,124,171,0,0,7,3,16,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANEDIOIC ACID, METHYLENE-, DIETHYL ESTER",002409-52-1,75481,diethyl 2-methylidenebutanedioate,CCOC(=O)CC(=C)C(=O)OCC,"InChI=1S/C9H14O4/c1-4-12-8(10)6-7(3)9(11)13-5-2/h3-6H2,1-2H3",ZEFVHSWKYCYFFL-UHFFFAOYSA-N,C9H14O4,186.2,186.0892089,1.2,52.6,208,0,0,4,7,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"THIOUREA, TRIBUTYL-",002422-88-0,3032425,"1,1,3-tributylthiourea",CCCCNC(=S)N(CCCC)CCCC,"InChI=1S/C13H28N2S/c1-4-7-10-14-13(16)15(11-8-5-2)12-9-6-3/h4-12H2,1-3H3,(H,14,16)",UDYXMTORTDACTG-UHFFFAOYSA-N,C13H28N2S,244.44,244.1973201,3.7,47.4,163,0,1,1,9,16,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DODINE [DODECYLGUANADINE MONOACETATE],002439-10-3,17110,acetic acid;2-dodecylguanidine,CCCCCCCCCCCCN=C(N)N.CC(=O)O,"InChI=1S/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)",YIKWKLYQRFRGPM-UHFFFAOYSA-N,C15H33N3O2,287.44,287.2572773,,102,194,0,3,3,11,20,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-OCTEN-3-OL, ACETATE",002442-10-6,17121,oct-1-en-3-yl acetate,CCCCCC(C=C)OC(=O)C,"InChI=1S/C10H18O2/c1-4-6-7-8-10(5-2)12-9(3)11/h5,10H,2,4,6-8H2,1,3H3",DOJDQRFOTHOBEK-UHFFFAOYSA-N,C10H18O2,170.25,170.1306798,3.1,26.3,141,0,0,2,7,12,,189.00 to 190.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-PROPENOIC ACID, NONYL ESTER",002664-55-3,75873,nonyl prop-2-enoate,CCCCCCCCCOC(=O)C=C,"InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-14-12(13)4-2/h4H,2-3,5-11H2,1H3",MDYPDLBFDATSCF-UHFFFAOYSA-N,C12H22O2,198.3,198.1619799,4.5,26.3,152,0,0,2,10,14,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANESULFONIC ACID, TRIFLUORO-, BARIUM SALT",002794-60-7,76040,barium(2+);bis(trifluoromethanesulfonate),C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ba+2],"InChI=1S/2CHF3O3S.Ba/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2",DXJURUJRANOYMX-UHFFFAOYSA-L,C2BaF6O6S2,435.5,435.809296,,131,145,0,0,12,0,17,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"THIOPEROXYDICARBONIC DIAMIDE ([(H2N)C(S)]2S2), TETRAKIS(2-METHYLPROPYL)-",003064-73-1,76470,"bis(2-methylpropyl)carbamothioylsulfanyl N,N-bis(2-methylpropyl)carbamodithioate",CC(C)CN(CC(C)C)C(=S)SSC(=S)N(CC(C)C)CC(C)C,"InChI=1S/C18H36N2S4/c1-13(2)9-19(10-14(3)4)17(21)23-24-18(22)20(11-15(5)6)12-16(7)8/h13-16H,9-12H2,1-8H3",QOTYLQBPNZRMNL-UHFFFAOYSA-N,C18H36N2S4,408.8,408.1761339,7.7,121,325,0,0,4,11,24,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-DODECANAMINIUM, N-DODECYL-N,N-DIMETHYL-, CHLORIDE",003401-74-9,18843,didodecyl(dimethyl)azanium chloride,CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Cl-],"InChI=1S/C26H56N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;/h5-26H2,1-4H3;1H/q+1;/p-1",WLCFKPHMRNPAFZ-UHFFFAOYSA-M,C26H56ClN,418.2,417.4101285,,0,245,0,0,1,22,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"GERMANE, TETRAPENTYL-",003634-47-7,77187,tetrapentylgermane,CCCCC[Ge](CCCCC)(CCCCC)CCCCC,"InChI=1S/C20H44Ge/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-20H2,1-4H3",PVVOYYQNPQNKGU-UHFFFAOYSA-N,C20H44Ge,357.2,358.2654792,,0,155,0,0,0,16,21,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
(1-HYDROXYETHYLIDENE)BISPHOSPHONIC ACID TETRASODIUM SALT,003794-83-0,19629,"tetrasodium;1,1-diphosphonatoethanol",CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C2H8O7P2.4Na/c1-2(3,10(4,5)6)11(7,8)9;;;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;;;/q;4*+1/p-4",KWXLCDNSEHTOCB-UHFFFAOYSA-J,C2H4Na4O7P2,293.96,293.9023036,,147,188,0,1,7,0,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-PROPANOL, 1-CHLORO-3-(1-METHYLETHOXY)-",004288-84-0,94290,1-chloro-3-propan-2-yloxypropan-2-ol,CC(C)OCC(CCl)O,"InChI=1S/C6H13ClO2/c1-5(2)9-4-6(8)3-7/h5-6,8H,3-4H2,1-2H3",GQPJSBQMFFGZAU-UHFFFAOYSA-N,C6H13ClO2,152.62,152.0604073,0.9,29.5,66,0,1,2,4,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"HEXANAMIDE, N-HYDROXY-",004312-93-0,78005,N-hydroxyhexanamide,CCCCCC(=O)NO,"InChI=1S/C6H13NO2/c1-2-3-4-5-6(8)7-9/h9H,2-5H2,1H3,(H,7,8)",FWPKDESKJMMUSR-UHFFFAOYSA-N,C6H13NO2,131.17,131.0946287,1,49.3,83,0,2,2,4,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"L-GLUTAMIC ACID, COMPD. WITH L-ARGININE (1:1)",004320-30-3,165268,(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-aminopentanedioic acid,C(C[C@@H](C(=O)O)N)CN=C(N)N.C(CC(=O)O)[C@@H](C(=O)O)N,"InChI=1S/C6H14N4O2.C5H9NO4/c7-4(5(11)12)2-1-3-10-6(8)9;6-3(5(9)10)1-2-4(7)8/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)/t4-;3-/m00/s1",RVEWUBJVAHOGKA-WOYAITHZSA-N,C11H23N5O6,321.33,321.1648335,,228,321,0,7,9,9,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-HEXENE-2,5-DIONE",004436-75-3,13177,"hex-3-ene-2,5-dione",CC(=O)C=CC(=O)C,"InChI=1S/C6H8O2/c1-5(7)3-4-6(2)8/h3-4H,1-2H3",OTSKZNVDZOOHRX-UHFFFAOYSA-N,C6H8O2,112.13,112.0524295,-0.1,34.1,117,0,0,2,2,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"OCTANOIC ACID, BARIUM SALT",004696-54-2,20822,barium(2+);bis(octanoate),CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Ba+2],"InChI=1S/2C8H16O2.Ba/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2",PJUKKJYOSBWEQO-UHFFFAOYSA-L,C16H30BaO4,423.7,424.119656,,80.3,83,0,0,4,10,21,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"DODECANOIC ACID, BARIUM SALT",004696-57-5,62548,barium(2+);bis(dodecanoate),CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].[Ba+2],"InChI=1S/2C12H24O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*2-11H2,1H3,(H,13,14);/q;;+2/p-2",RYTAZQLUNUCPFQ-UHFFFAOYSA-L,C24H46BaO4,535.9,536.244857,,80.3,127,0,0,4,18,29,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANOIC ACID, 2-CHLORO-3-OXO-, METHYL ESTER",004755-81-1,107332,methyl 2-chloro-3-oxobutanoate,CC(=O)C(C(=O)OC)Cl,"InChI=1S/C5H7ClO3/c1-3(7)4(6)5(8)9-2/h4H,1-2H3",GYQRIAVRKLRQKP-UHFFFAOYSA-N,C5H7ClO3,150.56,150.0083718,0.7,43.4,132,0,0,3,3,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANENITRILE, 3-(PHOSPHONOOXY)-, BARIUM SALT (1:1)",005015-38-3,78714,barium(2+);2-cyanoethyl phosphate,C(COP(=O)([O-])[O-])C#N.[Ba+2],"InChI=1S/C3H6NO4P.Ba/c4-2-1-3-8-9(5,6)7;/h1,3H2,(H2,5,6,7);/q;+2/p-2",MRQIDZJGQMWVQR-UHFFFAOYSA-L,C3H4BaNO4P,286.37,286.893042,,96.2,152,0,0,5,2,10,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-HEPTANONE, OXIME",005314-31-8,5354128,(NE)-N-heptan-2-ylidenehydroxylamine,CCCCC/C(=N/O)/C,"InChI=1S/C7H15NO/c1-3-4-5-6-7(2)8-9/h9H,3-6H2,1-2H3/b8-7+",NGTGENGUUCHSLQ-BQYQJAHWSA-N,C7H15NO,129.2,129.1153641,2.1,32.6,88,0,1,2,4,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"PROPANENITRILE, 3-(DIETHYLAMINO)-",005351-04-2,79306,3-(diethylamino)propanenitrile,CCN(CC)CCC#N,"InChI=1S/C7H14N2/c1-3-9(4-2)7-5-6-8/h3-5,7H2,1-2H3",LFFKXGFSDGRFQA-UHFFFAOYSA-N,C7H14N2,126.2,126.1156985,0.7,27,96,0,0,2,4,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
HEPTADECANENITRILE,005399-02-0,79388,heptadecanenitrile,CCCCCCCCCCCCCCCCC#N,"InChI=1S/C17H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-16H2,1H3",ZXPWFWWSCFIFII-UHFFFAOYSA-N,C17H33N,251.5,251.2613001,7.5,23.8,189,0,0,1,14,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANEDINITRILE, (1-ETHOXYETHYLIDENE)-",005417-82-3,79450,2-(1-ethoxyethylidene)propanedinitrile,CCOC(=C(C#N)C#N)C,"InChI=1S/C7H8N2O/c1-3-10-6(2)7(4-8)5-9/h3H2,1-2H3",BOSVWXDDFBSSIZ-UHFFFAOYSA-N,C7H8N2O,136.15,136.0636629,0.9,56.8,217,0,0,3,2,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"D-MANNOSE, 2-AMINO-2-DEOXY-, HYDROCHLORIDE",005505-63-5,9899264,"(2S,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal;hydrochloride",C([C@H]([C@H]([C@@H]([C@@H](C=O)N)O)O)O)O.Cl,"InChI=1S/C6H13NO5.ClH/c7-3(1-8)5(11)6(12)4(10)2-9;/h1,3-6,9-12H,2,7H2;1H/t3-,4-,5-,6-;/m1./s1",CBOJBBMQJBVCMW-MVNLRXSJSA-N,C6H14ClNO5,215.63,215.0560502,,124,142,0,6,6,5,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"1,2-ETHANEDIAMINE, DIHYDRIODIDE",005700-49-2,21921,"ethane-1,2-diamine;dihydroiodide",C(CN)N.I.I,InChI=1S/C2H8N2.2HI/c3-1-2-4;;/h1-4H2;2*1H,IWNWLPUNKAYUAW-UHFFFAOYSA-N,C2H10I2N2,315.92,315.89334,,52,6,0,4,2,1,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TETRASULFIDE, DIMETHYL",005756-24-1,79828,(methyltetrasulfanyl)methane,CSSSSC,InChI=1S/C2H6S4/c1-3-5-6-4-2/h1-2H3,NPNIZCVKXVRCHF-UHFFFAOYSA-N,C2H6S4,158.3,157.9352349,1.8,101,17,0,0,4,3,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEXANAMIDE, N,N-DIMETHYL-",005830-30-8,22084,"N,N-dimethylhexanamide",CCCCCC(=O)N(C)C,"InChI=1S/C8H17NO/c1-4-5-6-7-8(10)9(2)3/h4-7H2,1-3H3",OAERLTPBKQBWHJ-UHFFFAOYSA-N,C8H17NO,143.23,143.1310142,1.6,20.3,99,0,0,1,4,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANOL, 2-MERCAPTO-, 1-ACETATE",005862-40-8,98505,2-sulfanylethyl acetate,CC(=O)OCCS,"InChI=1S/C4H8O2S/c1-4(5)6-2-3-7/h7H,2-3H2,1H3",YDLAHBBJAGGIJZ-UHFFFAOYSA-N,C4H8O2S,120.17,120.0245007,0.4,27.3,62,0,1,3,3,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5,7-OCTADIEN-2-OL, 2,6-DIMETHYL-",005986-38-9,22303,"2,6-dimethylocta-5,7-dien-2-ol",CC(=CCCC(C)(C)O)C=C,"InChI=1S/C10H18O/c1-5-9(2)7-6-8-10(3,4)11/h5,7,11H,1,6,8H2,2-4H3",IJFKZRMIRAVXRK-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,2.9,20.2,154,0,1,1,4,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphonic acid, (2-chloroethyl)-, bis(2-chloroethyl) ester",006294-34-4,80518,1-chloro-2-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyethane,C(CCl)OP(=O)(CCCl)OCCCl,"InChI=1S/C6H12Cl3O3P/c7-1-4-11-13(10,6-3-9)12-5-2-8/h1-6H2",XXIDKSWYSYEFAG-UHFFFAOYSA-N,C6H12Cl3O3P,269.5,267.958964,1.2,35.5,155,0,0,3,8,13,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"OCTANOIC ACID, HYDRAZIDE",006304-39-8,80556,octanehydrazide,CCCCCCCC(=O)NN,"InChI=1S/C8H18N2O/c1-2-3-4-5-6-7-8(11)10-9/h2-7,9H2,1H3,(H,10,11)",VMUZVGRNTPFTKE-UHFFFAOYSA-N,C8H18N2O,158.24,158.1419132,1,55.1,104,0,2,2,6,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"PHOSPHONIC ACID, (1-HYDROXYETHYLIDENE)BIS-, DISODIUM SALT",007414-83-7,23894,disodium;hydroxy-[1-hydroxy-1-[hydroxy(oxido)phosphoryl]ethyl]phosphinate,CC(O)(P(=O)(O)[O-])P(=O)(O)[O-].[Na+].[Na+],"InChI=1S/C2H8O7P2.2Na/c1-2(3,10(4,5)6)11(7,8)9;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;/q;2*+1/p-2",GWBBVOVXJZATQQ-UHFFFAOYSA-L,C2H6Na2O7P2,249.99,249.9384151,,141,206,0,3,7,2,13,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"5,8,11,14-Eicosatetraenoic acid",007771-44-0,5312542,"(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoic acid",CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O,"InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6+,10-9+,13-12+,16-15+",YZXBAPSDXZZRGB-CGRWFSSPSA-N,C20H32O2,304.5,304.2402303,6.3,37.3,362,0,1,2,14,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TUNGSTATE (WO42-), BARIUM (1:1), (T-4)-",007787-42-0,165643,barium(2+);dioxido(dioxo)tungsten,[O-][W](=O)(=O)[O-].[Ba+2],InChI=1S/Ba.4O.W/q+2;;;2*-1;,SJPVUFMOBDBTHQ-UHFFFAOYSA-N,BaO4W,385.16,385.835839,,80.3,62,0,0,4,0,6,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ANTIMONY TRIBROMIDE,007789-61-9,24615,tribromostibane,Br[Sb](Br)Br,InChI=1S/3BrH.Sb/h3*1H;/q;;;+3/p-3,RPJGYLSSECYURW-UHFFFAOYSA-K,Br3Sb,361.47,359.65677,,0,8,0,0,0,0,4,,"536 °F at 760 mmHg (USCG, 1999)",0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"STIBINE, TRIIODO-",007790-44-5,24630,triiodostibane,[Sb](I)(I)I,InChI=1S/3HI.Sb/h3*1H;/q;;;+3/p-3,KWQLUUQBTAXYCB-UHFFFAOYSA-K,I3Sb,502.473,501.6172,,0,8,0,0,0,0,4,,400 °C,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-PROPANAMINE, 2-METHYL-, HYDROCHLORIDE",010017-37-5,82292,2-methylpropan-2-amine;hydrochloride,CC(C)(C)N.Cl,"InChI=1S/C4H11N.ClH/c1-4(2,3)5;/h5H2,1-3H3;1H",DLDIDQIZPBIVNQ-UHFFFAOYSA-N,C4H12ClN,109.6,109.0658271,,26,25,0,2,1,0,6,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANEDIOIC ACID, POTASSIUM SALT",010043-22-8,159253,potassium oxalate,C(=O)(C(=O)[O-])[O-].[K+],"InChI=1S/C2H2O4.K/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+1/p-2",JMTCDHVHZSGGJA-UHFFFAOYSA-L,C2KO4-,127.12,126.943365,,80.3,60,-1,0,4,0,7,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"SULFURIC ACID, IRON SALT",010124-49-9,105075,iron;sulfuric acid,OS(=O)(=O)O.[Fe],"InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)",MVZXTUSAYBWAAM-UHFFFAOYSA-N,FeH2O4S,153.93,153.902315,,83,81,0,2,4,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, MERCAPTO-, 1,4-BUTANEDIYL ESTER",010193-95-0,25040,4-(2-sulfanylacetyl)oxybutyl 2-sulfanylacetate,C(CCOC(=O)CS)COC(=O)CS,"InChI=1S/C8H14O4S2/c9-7(5-13)11-3-1-2-4-12-8(10)6-14/h13-14H,1-6H2",IPNDIMIIGZSERC-UHFFFAOYSA-N,C8H14O4S2,238.3,238.0333513,1.4,54.6,164,0,2,6,9,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, MERCAPTO-, 2-ETHYL-2-[[(MERCAPTOACETYL)OXY]METHYL]-1,3-PROPANEDIY",010193-96-1,82439,"2,2-bis[(2-sulfanylacetyl)oxymethyl]butyl 2-sulfanylacetate",CCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS,"InChI=1S/C12H20O6S3/c1-2-12(6-16-9(13)3-19,7-17-10(14)4-20)8-18-11(15)5-21/h19-21H,2-8H2,1H3",KAJBSGLXSREIHP-UHFFFAOYSA-N,C12H20O6S3,356.5,356.0422019,1.9,81.9,311,0,3,9,13,21,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANEDIOIC ACID, (2-METHYLPROPYL)-, DIETHYL ESTER",010203-58-4,25047,diethyl 2-(2-methylpropyl)propanedioate,CCOC(=O)C(CC(C)C)C(=O)OCC,"InChI=1S/C11H20O4/c1-5-14-10(12)9(7-8(3)4)11(13)15-6-2/h8-9H,5-7H2,1-4H3",OFRFGNSZCYDFOH-UHFFFAOYSA-N,C11H20O4,216.27,216.1361591,2.6,52.6,193,0,0,4,8,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Chloric acid, magnesium salt",010326-21-3,25155,magnesium dichlorate,[O-]Cl(=O)=O.[O-]Cl(=O)=O.[Mg+2],"InChI=1S/2ClHO3.Mg/c2*2-1(3)4;/h2*(H,2,3,4);/q;;+2/p-2",NNNSKJSUQWKSAM-UHFFFAOYSA-L,Cl2MgO6,191.2,189.8922348,,114,36,0,0,6,0,9,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"HEXANENITRILE, 5-OXO-",010412-98-3,82611,5-oxohexanenitrile,CC(=O)CCCC#N,"InChI=1S/C6H9NO/c1-6(8)4-2-3-5-7/h2-4H2,1H3",AEVMBQIIZGKQRB-UHFFFAOYSA-N,C6H9NO,111.14,111.0684139,-0.1,40.9,120,0,0,2,3,8,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(Z)-9-OCTADECENOIC ACID, CADMIUM SALT",010468-30-1,6437734,cadmium(2+);bis((Z)-octadec-9-enoate),CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Cd+2],"InChI=1S/2C18H34O2.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2/b2*10-9-;",ZTSAVNXIUHXYOY-CVBJKYQLSA-L,C36H66CdO4,675.3,676.399476,,80.3,228,0,0,4,28,41,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-PROPANAMINIUM, N,N,N-TRIMETHYL-3-[(1-OXODODECYL)AMINO]-, METHYL SULFATE",010595-49-0,160947,3-(dodecanoylamino)propyl-trimethylazanium;methyl sulfate,CCCCCCCCCCCC(=O)NCCC[N+](C)(C)C.COS(=O)(=O)[O-],"InChI=1S/C18H38N2O.CH4O4S/c1-5-6-7-8-9-10-11-12-13-15-18(21)19-16-14-17-20(2,3)4;1-5-6(2,3)4/h5-17H2,1-4H3;1H3,(H,2,3,4)",LTERAWRIKDPXBF-UHFFFAOYSA-N,C19H42N2O5S,410.6,410.2814436,,104,337,0,1,5,14,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
BARIUM IRON OXIDE,011138-11-7,44151694,barium(2+);bis(iron(3+));tetrakis(oxygen(2-)),[O-2].[O-2].[O-2].[O-2].[Fe+3].[Fe+3].[Ba+2],InChI=1S/Ba.2Fe.4O/q+2;2*+3;4*-2,RTVHKGIVFVKLDJ-UHFFFAOYSA-N,BaFe2O4,313.01,313.754777,,4,0,0,0,4,0,7,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BARIUM TIN OXIDE (BASNO3),012009-18-6,165950,barium(2+);tris(oxygen(2-));tin(4+),[O-2].[O-2].[O-2].[Sn+4].[Ba+2],InChI=1S/Ba.3O.Sn/q+2;3*-2;+4,HERMVCOJYLRNMJ-UHFFFAOYSA-N,BaO3Sn,304.04,305.79219,,3,0,0,0,3,0,5,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
COPPER TELLURIDE (CU2TE),012019-52-2,6914517,,[Cu].[Cu].[Te],InChI=1S/2Cu.Te,MZEWONGNQNXVKA-UHFFFAOYSA-N,Cu2Te,254.7,255.765417,,0,2,0,0,0,0,3,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
GERMANIUM TELLURIDE (GETE),012025-39-7,16213264,tellanylidenegermanium,[Ge]=[Te],InChI=1S/GeTe/c1-2,JBQYATWDVHIOAR-UHFFFAOYSA-N,GeTe,200.2,203.8274005,,0,2,0,0,0,0,2,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ANTIMONY, COMPD. WITH MANGANESE (1:1)",012032-82-5,6335265,antimony;manganese(3+),[Mn+3].[Sb],InChI=1S/Mn.Sb/q+3;,RAVWSVJGRNETBE-UHFFFAOYSA-N,MnSb+3,176.698,175.84185,,0,0,3,0,0,0,2,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
MANGANESE TELLURIDE (MNTE),012032-88-1,82828,tellanylidenemanganese,[Mn]=[Te],InChI=1S/Mn.Te,VMINMXIEZOMBRH-UHFFFAOYSA-N,MnTe,182.5,184.844266,,0,2,0,0,0,0,2,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ANTIMONY, COMPD. WITH CHROMIUM (1:1)",012053-12-2,6335272,antimony;chromium(3+),[Cr+3].[Sb],InChI=1S/Cr.Sb/q+3;,BUNMATGODDVOLM-UHFFFAOYSA-N,CrSb+3,173.756,172.84432,,0,0,3,0,0,0,2,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CHROMIUM TELLURIDE (CR2TE3),012053-39-3,6381587,,[Cr]=[Te].[Cr]=[Te].[Te],InChI=1S/2Cr.3Te,PDJHBRMODJKXLQ-UHFFFAOYSA-N,Cr2Te3,486.8,491.597916,,0,6,0,0,0,0,5,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CADMIUM ZIRCONIUM OXIDE (CDZRO3),012139-23-0,166629,cadmium(2+);tris(oxygen(2-));zirconium(4+),[O-2].[O-2].[O-2].[Zr+4].[Cd+2],InChI=1S/Cd.3O.Zr/q+2;3*-2;+4,SJRPZAHQHJSRQC-UHFFFAOYSA-N,CdO3Zr,251.63,251.792808,,3,0,0,0,3,0,5,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CADMIUM CHLORIDE PHOSPHATE (CD5CL(PO4)3),012185-64-7,166654,bis(cadmium(2+));chloride;phosphate,[O-]P(=O)([O-])[O-].[Cl-].[Cd+2].[Cd+2],"InChI=1S/2Cd.ClH.H3O4P/c;;;1-5(2,3)4/h;;1H;(H3,1,2,3,4)/q2*+2;;/p-4",VGEXYTFIPOXGDH-UHFFFAOYSA-J,Cd2ClO4P,355.25,355.728402,,86.3,36,0,0,5,0,8,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Gold, ((1,2-dicarboxyethyl)thio)-, disodium salt",012244-57-4,22318,disodium;gold(1+);2-sulfidobutanedioate,C(C(C(=O)[O-])[S-])C(=O)[O-].[Na+].[Na+].[Au+],"InChI=1S/C4H6O4S.Au.2Na/c5-3(6)1-2(9)4(7)8;;;/h2,9H,1H2,(H,5,6)(H,7,8);;;/q;3*+1/p-3",VXIHRIQNJCRFQX-UHFFFAOYSA-K,C4H3AuNa2O4S,390.08,389.921313,,81.3,126,0,0,5,1,12,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"ALUMINUM, COMPD. WITH BARIUM (4:1)",012253-23-5,6337003,,[Al].[Al].[Al].[Al].[Ba],InChI=1S/4Al.Ba,CNMLKYRHFLUEAL-UHFFFAOYSA-N,Al4Ba,245.25,245.831401,,0,0,0,0,0,0,5,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"NIOBATE (NBO31-), BARIUM SODIUM (5:2:1)",012323-03-4,166687,sodium;barium(2+);niobium(5+);tetrakis(oxygen(2-)),[O-2].[O-2].[O-2].[O-2].[Na+].[Nb+5].[Ba+2],InChI=1S/Ba.Na.Nb.4O/q+2;+1;+5;4*-2,OZJLXXSXDXTZAP-UHFFFAOYSA-N,BaNaNbO4,317.22,317.78105,,4,0,0,0,4,0,7,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-HEXENEDINITRILE,013042-02-9,94345,hex-2-enedinitrile,C(CC#N)C=CC#N,"InChI=1S/C6H6N2/c7-5-3-1-2-4-6-8/h1,3H,2,4H2",ZQOHAQBXINVHHC-UHFFFAOYSA-N,C6H6N2,106.13,106.0530982,0.4,47.6,161,0,0,2,2,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"DECANOIC ACID, 3-OXO-, ETHYL ESTER",013195-66-9,83224,ethyl 3-oxodecanoate,CCCCCCCC(=O)CC(=O)OCC,"InChI=1S/C12H22O3/c1-3-5-6-7-8-9-11(13)10-12(14)15-4-2/h3-10H2,1-2H3",YZKPCVHTRBTTAX-UHFFFAOYSA-N,C12H22O3,214.3,214.1568946,3.3,43.4,187,0,0,3,10,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENAMIDE, N-(1-METHYLUNDECYL)-",013288-50-1,114489,N-dodecan-2-ylprop-2-enamide,CCCCCCCCCCC(C)NC(=O)C=C,"InChI=1S/C15H29NO/c1-4-6-7-8-9-10-11-12-13-14(3)16-15(17)5-2/h5,14H,2,4,6-13H2,1,3H3,(H,16,17)",ACALHKQKISMQQT-UHFFFAOYSA-N,C15H29NO,239.4,239.2249145,5.6,29.1,201,0,1,1,11,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, CYANO-, 2-METHYLPROPYL ESTER",013361-31-4,25918,2-methylpropyl 2-cyanoacetate,CC(C)COC(=O)CC#N,"InChI=1S/C7H11NO2/c1-6(2)5-10-7(9)3-4-8/h6H,3,5H2,1-2H3",HRGQEKKNLHJZGZ-UHFFFAOYSA-N,C7H11NO2,141.17,141.0789786,1.3,50.1,154,0,0,3,4,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"TELLURIC ACID (H2TEO4), DIAMMONIUM SALT",013453-06-0,61608,diazanium;tellurate,[NH4+].[NH4+].[O-][Te](=O)(=O)[O-],"InChI=1S/2H3N.H2O4Te/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4)",DRGYXGZFRXFMHF-UHFFFAOYSA-N,H8N2O4Te,227.7,229.9546295,,82.3,62,0,2,4,0,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHORIC ACID, BARIUM SALT (2:1)",013466-20-1,13726205,barium(2+);bis(dihydrogen phosphate),OP(=O)(O)[O-].OP(=O)(O)[O-].[Ba+2],"InChI=1S/Ba.2H3O4P/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2",IOPOLWHQYJSKCT-UHFFFAOYSA-L,BaH4O8P2,331.3,331.843388,,161,49,0,4,8,0,11,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 3-(METHYLTHIO)-, METHYL ESTER",013532-18-8,61641,methyl 3-methylsulfanylpropanoate,COC(=O)CCSC,"InChI=1S/C5H10O2S/c1-7-5(6)3-4-8-2/h3-4H2,1-2H3",DMMJVMYCBULSIS-UHFFFAOYSA-N,C5H10O2S,134.2,134.0401507,0.7,51.6,72,0,0,3,4,8,,74.00 to 75.00 °C. @ 13.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"TUNGSTATE (WO42-), DICESIUM, (T-4)-",013587-19-4,166852,dicesium;tetrakis(oxygen(2-));tungsten,[O-2].[O-2].[O-2].[O-2].[Cs+].[Cs+].[W],InChI=1S/2Cs.4O.W/q2*+1;4*-2;,ZYAJNDITUUBDPX-UHFFFAOYSA-N,Cs2O4W-6,513.65,513.741496,,4,0,-6,0,4,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHORIC ACID, ZINC SALT (2:1)",013598-37-3,159688,zinc diphosphate,[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Zn+2],"InChI=1S/2H3O4P.Zn/c2*1-5(2,3)4;/h2*(H3,1,2,3,4);/q;;+2/p-6",MFXMOUUKFMDYLM-UHFFFAOYSA-H,O8P2Zn-4,255.3,253.835983,,173,36,-4,0,8,0,11,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"SULFURIC ACID, VANADIUM(3+) SALT (3:2)",013701-70-7,166888,bis(vanadium);trisulfate,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[V].[V],"InChI=1S/3H2O4S.2V/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/p-6",OYCGXLKTCYDJNJ-UHFFFAOYSA-H,O12S3V2-6,390.1,389.743104,,266,62,-6,0,12,0,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"TRIPHOSPHORIC ACID, PENTAPOTASSIUM SALT",013845-36-8,61695,pentapotassium;[oxido(phosphonatooxy)phosphoryl] phosphate,[O-]P(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[K+].[K+].[K+].[K+].[K+],"InChI=1S/5K.H5O10P3/c;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6/h;;;;;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q5*+1;/p-5",ATGAWOHQWWULNK-UHFFFAOYSA-I,K5O10P3,448.41,447.6889646,,185,241,0,0,10,2,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CADMIUM MOLYBDENUM OXIDE (CDMOO4),013972-68-4,159711,cadmium(2+);molybdenum;tetrakis(oxygen(2-)),[O-2].[O-2].[O-2].[O-2].[Mo].[Cd+2],InChI=1S/Cd.Mo.4O/q+2;;4*-2,SQHWLBOPUKZGNS-UHFFFAOYSA-N,CdMoO4-6,272.36,275.788427,,4,0,-6,0,4,0,6,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"SULFAMIC ACID, CADMIUM SALT (2:1)",014017-36-8,161015,cadmium;sulfamic acid,NS(=O)(=O)O.NS(=O)(=O)O.[Cd],"InChI=1S/Cd.2H3NO3S/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)",BSMFZSLFNSAOPE-UHFFFAOYSA-N,CdH6N2O6S2,306.6,307.870093,,178,92,0,4,8,0,11,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"COPPER(2+), TETRAAMMINE-, SULFATE (1:1)",014283-05-7,167053,copper;azane;sulfate,N.N.N.N.[O-]S(=O)(=O)[O-].[Cu+2],"InChI=1S/Cu.4H3N.H2O4S/c;;;;;1-5(2,3)4/h;4*1H3;(H2,1,2,3,4)/q+2;;;;;/p-2",MJIHMGIXWVSFTF-UHFFFAOYSA-L,CuH12N4O4S,227.73,226.987523,,92.6,62,0,4,8,0,10,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANENITRILE, 4,4-DIMETHOXY-",014618-78-1,84558,"4,4-dimethoxybutanenitrile",COC(CCC#N)OC,"InChI=1S/C6H11NO2/c1-8-6(9-2)4-3-5-7/h6H,3-4H2,1-2H3",XJHNCGVHPLDMRK-UHFFFAOYSA-N,C6H11NO2,129.16,129.0789786,0.1,42.3,101,0,0,3,4,9,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(OC-6-11)-HEXAKIS(NITRITO-O)-COBALTATE(3-), TRISODIUM",014649-73-1,156594492,sodium;cobalt(3+);hexanitrite,N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].[Na+].[Co+3],"InChI=1S/Co.6HNO2.Na/c;6*2-1-3;/h;6*(H,2,3);/q+3;;;;;;;+1/p-6",NIMVRRMBPCJMPR-UHFFFAOYSA-H,CoN6NaO12-2,357.96,357.880382,,315,114,-2,0,18,0,20,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"1,2-ETHANEDIOL, TITANIUM(4+) SALT (4:1)",014764-55-7,167162,"tetrakis(ethane-1,2-diolate);titanium(4+)",C(C[O-])[O-].C(C[O-])[O-].C(C[O-])[O-].C(C[O-])[O-].[Ti+4],InChI=1S/4C2H4O2.Ti/c4*3-1-2-4;/h4*1-2H2;/q4*-2;+4,CRXZEAIWSODJDG-UHFFFAOYSA-N,C8H16O8Ti-4,288.07,288.0324581,,184,6,-4,0,8,4,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ALUMINUM TUNGSTEN OXIDE (AL2W3O12),015123-82-7,167248,dialuminum;nonakis(oxygen(2-));tungsten,[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Al+3].[Al+3].[W].[W],InChI=1S/2Al.9O.2W/q2*+3;9*-2;;,BWALTLDSULABKR-UHFFFAOYSA-N,Al2O9W2-12,565.6,567.82261,,9,0,-12,0,9,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, 2-BROMO-2-CYANO-N,N-DIMETHYL-",015430-62-3,85841,"2-bromo-2-cyano-N,N-dimethylacetamide",CN(C)C(=O)C(C#N)Br,"InChI=1S/C5H7BrN2O/c1-8(2)5(9)4(6)3-7/h4H,1-2H3",HLAJXHYCSPHGGI-UHFFFAOYSA-N,C5H7BrN2O,191.03,189.97418,0.5,44.1,158,0,0,2,1,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"9-OCTADECENOIC ACID, 12-HYDROXY-, MONOLITHIUM SALT, [R-(Z)]-",015467-06-8,23665644,"lithium (Z,12R)-12-hydroxyoctadec-9-enoate",[Li+].CCCCCC[C@H](C/C=C\CCCCCCCC(=O)[O-])O,"InChI=1S/C18H34O3.Li/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;+1/p-1/b12-9-;/t17-;/m1./s1",UWZUWNMEIDBHOF-DPMBMXLASA-M,C18H33LiO3,304.4,304.2589733,,60.4,267,0,1,3,15,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"TUNGSTATE (WO66-), BARIUM CALCIUM (1:2:1), (OC-6-11)-",015552-14-4,154734637,calcium;bis(barium(2+));hexakis(oxygen(2-));tungsten,[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Ca+2].[Ba+2].[Ba+2].[W],InChI=1S/2Ba.Ca.6O.W/q3*+2;6*-2;,PPWVVRZJNVJBTO-UHFFFAOYSA-N,Ba2CaO6W-6,594.6,595.693506,,6,0,-6,0,6,0,10,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"CUPRATE(2-), TETRACHLORO-, DIAMMONIUM",015610-76-1,167315,diazanium;tetrachlorocopper(2-),[NH4+].[NH4+].Cl[Cu-2](Cl)(Cl)Cl,InChI=1S/4ClH.Cu.2H3N/h4*1H;;2*1H3/q;;;;+2;;/p-2,ZGSRGICQFXEMGO-UHFFFAOYSA-L,Cl4CuH8N2,241.4,240.870806,,2,19,0,2,1,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"DISTANNATHIANE, DIBUTYLDITHIOXO-",015666-29-2,16684014,butyl-[butyl(sulfanylidene)stannanyl]sulfanyl-sulfanylidenetin,CCCC[Sn](=S)S[Sn](=S)CCCC,"InChI=1S/2C4H9.3S.2Sn/c2*1-3-4-2;;;;;/h2*1,3-4H2,2H3;;;;;",XHYNAAFUENTBLP-UHFFFAOYSA-N,C8H18S3Sn2,447.9,447.86087,,89.5,153,0,0,3,8,13,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hydrazine, 1,2-bis(dichloroacetyl)-",016054-41-4,96495,"2,2-dichloro-N'-(2,2-dichloroacetyl)acetohydrazide",C(C(=O)NNC(=O)C(Cl)Cl)(Cl)Cl,"InChI=1S/C4H4Cl4N2O2/c5-1(6)3(11)9-10-4(12)2(7)8/h1-2H,(H,9,11)(H,10,12)",WOJKJUQKPSGJCT-UHFFFAOYSA-N,C4H4Cl4N2O2,253.9,253.899738,1.7,58.2,164,0,2,2,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 3-MERCAPTO-, BUTYL ESTER",016215-21-7,85335,butyl 3-sulfanylpropanoate,CCCCOC(=O)CCS,"InChI=1S/C7H14O2S/c1-2-3-5-9-7(8)4-6-10/h10H,2-6H2,1H3",MGFFVSDRCRVHLC-UHFFFAOYSA-N,C7H14O2S,162.25,162.0714509,1.6,27.3,93,0,1,3,6,10,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"OCTANOIC ACID, LITHIUM SALT",016577-52-9,23673717,lithium octanoate,[Li+].CCCCCCCC(=O)[O-],"InChI=1S/C8H16O2.Li/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+1/p-1",BTAUEIDLAAYHSL-UHFFFAOYSA-M,C8H15LiO2,150.2,150.1232082,,40.1,94,0,0,2,6,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-[(2-METHYLPROPOXY)METHYL]-2-PROPENAMIDE,016669-59-3,27979,N-(2-methylpropoxymethyl)prop-2-enamide,CC(C)COCNC(=O)C=C,"InChI=1S/C8H15NO2/c1-4-8(10)9-6-11-5-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10)",KCTMTGOHHMRJHZ-UHFFFAOYSA-N,C8H15NO2,157.21,157.1102787,1.4,38.3,132,0,1,2,5,11,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"DIBUTYLAMINE, PYROPHOSPHATE (1:1)",016687-06-2,85544,N-butylbutan-1-amine;phosphono dihydrogen phosphate,CCCCNCCCC.OP(=O)(O)OP(=O)(O)O,"InChI=1S/C8H19N.H4O7P2/c1-3-5-7-9-8-6-4-2;1-8(2,3)7-9(4,5)6/h9H,3-8H2,1-2H3;(H2,1,2,3)(H2,4,5,6)",GFFBAXKJVPVOAP-UHFFFAOYSA-N,C8H23NO7P2,307.22,307.0949761,,136,185,0,5,8,8,18,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PLATINATE(2-), HEXABROMO-, DIPOTASSIUM, (OC-6-11)-",016920-93-7,61854,dipotassium;hexabromoplatinum(2-),[K+].[K+].Br[Pt-2](Br)(Br)(Br)(Br)Br,InChI=1S/6BrH.2K.Pt/h6*1H;;;/q;;;;;;2*+1;+4/p-6,LRBZJCBXMOGTCN-UHFFFAOYSA-H,Br6K2Pt,752.7,752.39608,,0,62,0,0,1,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PLATINATE(2-), HEXABROMO-, DIAMMONIUM, (OC-6-11)-",017363-02-9,167646,diazanium;platinum(4+);hexabromide,[NH4+].[NH4+].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Pt+4],InChI=1S/6BrH.2H3N.Pt/h6*1H;2*1H3;/q;;;;;;;;+4/p-4,YLDMEZNZYLWNNL-UHFFFAOYSA-J,Br6H8N2Pt,710.6,710.53742,,2,0,0,2,6,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SULFURIC ACID, DICOPPER(1+) SALT",017599-81-4,134737,bis(copper(1+));sulfate,[O-]S(=O)(=O)[O-].[Cu+].[Cu+],"InChI=1S/2Cu.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",WIVXEZIMDUGYRW-UHFFFAOYSA-L,Cu2O4S,223.16,221.810924,,88.6,62,0,0,4,0,7,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"TRISULFIDE, METHYL PROPYL",017619-36-2,5319765,1-(methyltrisulfanyl)propane,CCCSSSC,"InChI=1S/C4H10S3/c1-3-4-6-7-5-2/h3-4H2,1-2H3",ZOYASYRPGHCQHW-UHFFFAOYSA-N,C4H10S3,154.3,153.9944638,2.2,75.9,30,0,0,3,4,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"UREA, (AMINOIMINOMETHYL)-, PHOSPHATE",017675-60-4,87231,diaminomethylideneurea;phosphoric acid,C(=NC(=O)N)(N)N.OP(=O)(O)O,"InChI=1S/C2H6N4O.H3O4P/c3-1(4)6-2(5)7;1-5(2,3)4/h(H6,3,4,5,6,7);(H3,1,2,3,4)",ZHURYQINAXWNAH-UHFFFAOYSA-N,C2H9N4O5P,200.09,200.0310564,,185,152,0,6,5,0,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ALUMINATE(1-), DIETHYLDIHYDRO-, SODIUM, (T-4)-",017836-88-3,87331,aluminum;sodium;ethane;hydride,[H-].[H-].C[CH2-].C[CH2-].[Na+].[Al+3],"InChI=1S/2C2H5.Al.Na.2H/c2*1-2;;;;/h2*1H2,2H3;;;;/q2*-1;+3;+1;2*-1",IHDCPKOFXPTMDE-UHFFFAOYSA-N,C4H12AlNa,110.11,110.0652081,,0,0,0,0,4,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"HEPTANENITRILE, 7-HYDROXY-",017976-80-6,87385,7-hydroxyheptanenitrile,C(CCCO)CCC#N,"InChI=1S/C7H13NO/c8-6-4-2-1-3-5-7-9/h9H,1-5,7H2",XAZAHJGDOHGFBV-UHFFFAOYSA-N,C7H13NO,127.18,127.099714,0.8,44,92,0,1,2,5,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"SILICIC ACID (H4SIO4), TETRAKIS(2-METHOXY-1-METHYLETHYL) ESTER",018407-95-9,86722,tetrakis(1-methoxypropan-2-yl) silicate,CC(COC)O[Si](OC(C)COC)(OC(C)COC)OC(C)COC,"InChI=1S/C16H36O8Si/c1-13(9-17-5)21-25(22-14(2)10-18-6,23-15(3)11-19-7)24-16(4)12-20-8/h13-16H,9-12H2,1-8H3",DVYWNXMKZUKBRA-UHFFFAOYSA-N,C16H36O8Si,384.54,384.2179446,,73.8,259,0,0,8,16,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANE, 1,1,2,3-TETRACHLORO-",018495-30-2,29108,"1,1,2,3-tetrachloropropane",C(C(C(Cl)Cl)Cl)Cl,"InChI=1S/C3H4Cl4/c4-1-2(5)3(6)7/h2-3H,1H2",BUQMVYQMVLAYRU-UHFFFAOYSA-N,C3H4Cl4,181.9,181.903761,2.8,0,44,0,0,0,2,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-OCTEN-1-OL, (Z)-",020125-84-2,5364519,(Z)-oct-3-en-1-ol,CCCC/C=C\CCO,"InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h5-6,9H,2-4,7-8H2,1H3/b6-5-",YDXQPTHHAPCTPP-WAYWQWQTSA-N,C8H16O,128.21,128.1201151,2.4,20.2,67,0,1,1,5,9,,73.00 °C. @ 0.50 mm Hg,1,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"OCTANOIC ACID, COPPER SALT",020543-04-8,161318,copper bis(octanoate),CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Cu+2],"InChI=1S/2C8H16O2.Cu/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2",VNZQQAVATKSIBR-UHFFFAOYSA-L,C16H30CuO4,349.95,349.144007,,80.3,83,0,0,4,10,21,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-PROPENOIC ACID, 2-METHYL-, 3-(DIMETHYLAMINO)PROPYL ESTER",020602-77-1,88611,3-(dimethylamino)propyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCCN(C)C,"InChI=1S/C9H17NO2/c1-8(2)9(11)12-7-5-6-10(3)4/h1,5-7H2,2-4H3",WWJCRUKUIQRCGP-UHFFFAOYSA-N,C9H17NO2,171.24,171.1259288,2,29.5,164,0,0,3,6,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
"PHOSPHONIC ACID, (1-HYDROXYETHYLIDENE)BIS-, DIPOTASSIUM SALT",021089-06-5,88790,dipotassium;hydroxy-[1-hydroxy-1-[hydroxy(oxido)phosphoryl]ethyl]phosphinate,CC(O)(P(=O)(O)[O-])P(=O)(O)[O-].[K+].[K+],"InChI=1S/C2H8O7P2.2K/c1-2(3,10(4,5)6)11(7,8)9;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;/q;2*+1/p-2",YGZBDWZUQFVAHU-UHFFFAOYSA-L,C2H6K2O7P2,282.21,281.8862895,,141,206,0,3,7,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"OCTADECANOIC ACID, 12-HYDROXY-, BARIUM SALT (2:1)",021598-22-1,89522,barium(2+);bis(12-hydroxyoctadecanoate),CCCCCCC(CCCCCCCCCCC(=O)[O-])O.CCCCCCC(CCCCCCCCCCC(=O)[O-])O.[Ba+2],"InChI=1S/2C18H36O3.Ba/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*17,19H,2-16H2,1H3,(H,20,21);/q;;+2/p-2",LHCFNZQTNGWZED-UHFFFAOYSA-L,C36H70BaO6,736.3,736.422487,,121,223,0,2,6,30,43,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"METHANESULFONIC ACID, AMMONIUM SALT",022515-76-0,11297950,azanium methanesulfonate,CS(=O)(=O)[O-].[NH4+],"InChI=1S/CH4O3S.H3N/c1-5(2,3)4;/h1H3,(H,2,3,4);1H3",QHYIGPGWXQQZSA-UHFFFAOYSA-N,CH7NO3S,113.14,113.0146643,,66.6,79,0,1,3,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,8,10-TRIOXA-9-STANNATETRADECA-5,12-DIEN-14-OIC ACID, 9,9-DIBUTYL-2-METHYL-4,",022535-42-8,16684053,4-O-[dibutyl-[(Z)-4-oxo-4-propan-2-yloxybut-2-enoyl]oxystannyl] 1-O-propan-2-yl (Z)-but-2-enedioate,CCCC[Sn](OC(=O)/C=C\C(=O)OC(C)C)(OC(=O)/C=C\C(=O)OC(C)C)CCCC,"InChI=1S/2C7H10O4.2C4H9.Sn/c2*1-5(2)11-7(10)4-3-6(8)9;2*1-3-4-2;/h2*3-5H,1-2H3,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*4-3-;;;",QWKDQXNGJACGFP-VGKOASNMSA-L,C22H36O8Sn,547.2,548.143221,,105,596,0,0,8,18,31,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"DODECANAMIDE, N-[3-(DIMETHYLAMINO)PROPYL]-, MONOACETATE",022890-14-8,89891,acetic acid;N-[3-(dimethylamino)propyl]dodecanamide,CCCCCCCCCCCC(=O)NCCCN(C)C.CC(=O)O,"InChI=1S/C17H36N2O.C2H4O2/c1-4-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2)3;1-2(3)4/h4-16H2,1-3H3,(H,18,20);1H3,(H,3,4)",ITEOMQZUDMOKMS-UHFFFAOYSA-N,C19H40N2O3,344.5,344.3038931,,69.6,248,0,2,4,14,24,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"FORMAMIDE, N-(1,1-DIMETHYLPROPYL)-",023602-10-0,90208,N-(2-methylbutan-2-yl)formamide,CCC(C)(C)NC=O,"InChI=1S/C6H13NO/c1-4-6(2,3)7-5-8/h5H,4H2,1-3H3,(H,7,8)",NQHJHACNRXGUQU-UHFFFAOYSA-N,C6H13NO,115.17,115.099714,1.1,29.1,78,0,1,1,2,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-OCTEN-3-OL, 3-METHYL-",024089-00-7,32207,3-methyloct-1-en-3-ol,CCCCCC(C)(C=C)O,"InChI=1S/C9H18O/c1-4-6-7-8-9(3,10)5-2/h5,10H,2,4,6-8H2,1,3H3",DRKRLMZMGTWUSQ-UHFFFAOYSA-N,C9H18O,142.24,142.1357652,2.7,20.2,98,0,1,1,5,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-OCTANESULFONAMIDE, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-HEPTADECAFLUORO-N-(2-HY",024448-09-7,90507,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)-N-methyloctane-1-sulfonamide",CN(CCO)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C11H8F17NO3S/c1-29(2-3-30)33(31,32)11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h30H,2-3H2,1H3",PLGACQRCZCVKGK-UHFFFAOYSA-N,C11H8F17NO3S,557.23,556.995343,4.7,66,813,0,1,21,10,33,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OSMATE(2-), HEXABROMO-, DIAMMONIUM, (OC-6-11)-",024598-62-7,168186,diazanium;osmium(4+);hexabromide,[NH4+].[NH4+].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Os+4],InChI=1S/6BrH.2H3N.Os/h6*1H;2*1H3;/q;;;;;;;;+4/p-4,ZPHFWWAVHILXPL-UHFFFAOYSA-J,Br6H8N2Os,705.7,707.5341,,2,0,0,2,6,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ZINC, BIS(HYDROXYMETHANESULFINATO-OS,O1)-, (T-4)-",024887-06-7,159978,zinc hydroxymethanesulfinate,C(O)S(=O)[O-].C(O)S(=O)[O-].[Zn+2],"InChI=1S/2CH4O3S.Zn/c2*2-1-5(3)4;/h2*2H,1H2,(H,3,4);/q;;+2/p-2",CAAIULQYGCAMCD-UHFFFAOYSA-L,C2H6O6S2Zn,255.6,253.889722,,159,36,0,2,8,0,11,,,0,0,0,1,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0
"ACETIC ACID, MERCAPTO-, ISOOCTYL ESTER",025103-09-7,34306,6-methylheptyl 2-sulfanylacetate,CC(C)CCCCCOC(=O)CS,"InChI=1S/C10H20O2S/c1-9(2)6-4-3-5-7-12-10(11)8-13/h9,13H,3-8H2,1-2H3",RZBBHEJLECUBJT-UHFFFAOYSA-N,C10H20O2S,204.33,204.1184011,3.6,27.3,135,0,1,3,8,13,,125 °C @ 17 mm Hg,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
ISOOCTANOIC ACID,025103-52-0,90716,6-methylheptanoic acid,CC(C)CCCCC(=O)O,"InChI=1S/C8H16O2/c1-7(2)5-3-4-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)",OEOIWYCWCDBOPA-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,2.7,37.3,97,0,1,2,5,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
TIN PHOSPHIDE (SNP),025324-56-5,44144463,phosphanylidynetin,P#[Sn],InChI=1S/P.Sn,BSPSZRDIBCCYNN-UHFFFAOYSA-N,PSn,149.68,150.875965,,0,10,0,0,0,0,2,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-HEXANAMINE, 2-ETHYL-, HYDROCHLORIDE",026392-49-4,117308,2-ethylhexan-1-amine;hydrochloride,CCCCC(CC)CN.Cl,"InChI=1S/C8H19N.ClH/c1-3-5-6-8(4-2)7-9;/h8H,3-7,9H2,1-2H3;1H",JNWRGTDFPPYRAD-UHFFFAOYSA-N,C8H20ClN,165.7,165.1284273,,26,52,0,2,1,5,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"NEODECANOIC ACID, ZINC SALT",027253-29-8,117959,"zinc bis(3,3,5,5-tetramethylhexanoate)",CC(C)(C)CC(C)(C)CC(=O)[O-].CC(C)(C)CC(C)(C)CC(=O)[O-].[Zn+2],"InChI=1S/2C10H20O2.Zn/c2*1-9(2,3)7-10(4,5)6-8(11)12;/h2*6-7H2,1-5H3,(H,11,12);/q;;+2/p-2",JUODUXKPGONLIM-UHFFFAOYSA-L,C20H38O4Zn,407.9,406.206151,,80.3,158,0,0,4,6,25,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"9-OCTADECENOIC ACID (Z)-, COMPD. WITH (Z)-9-OCTADECEN-1-AMINE (1:1)",028065-97-6,6438187,(Z)-octadec-9-en-1-amine;(Z)-octadec-9-enoic acid,CCCCCCCC/C=C\CCCCCCCCN.CCCCCCCC/C=C\CCCCCCCC(=O)O,"InChI=1S/C18H37N.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-19H2,1H3;9-10H,2-8,11-17H2,1H3,(H,19,20)/b2*10-9-",QAIHWMZHLIBAFX-QZOPMXJLSA-N,C36H71NO2,550,549.5484805,,63.3,408,0,2,3,30,39,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
NONADECANENITRILE,028623-46-3,98566,nonadecanenitrile,CCCCCCCCCCCCCCCCCCC#N,"InChI=1S/C19H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h2-18H2,1H3",MVDGSHXQMOKTDJ-UHFFFAOYSA-N,C19H37N,279.5,279.2926002,8.5,23.8,213,0,0,1,16,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-NONENENITRILE,029127-83-1,6438193,(Z)-non-2-enenitrile,CCCCCC/C=C\C#N,"InChI=1S/C9H15N/c1-2-3-4-5-6-7-8-9-10/h7-8H,2-6H2,1H3/b8-7-",WOVJAWMZNOWDII-FPLPWBNLSA-N,C9H15N,137.22,137.1204495,3.4,23.8,127,0,0,1,5,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-(1-METHYL-2-PROPOXYETHOXY)-2-PROPANOL,029911-27-1,121752,1-(1-propoxypropan-2-yloxy)propan-2-ol,CCCOCC(C)OCC(C)O,"InChI=1S/C9H20O3/c1-4-5-11-7-9(3)12-6-8(2)10/h8-10H,4-7H2,1-3H3",WEZPLQKRXDBPEP-UHFFFAOYSA-N,C9H20O3,176.25,176.1412445,1,38.7,95,0,1,3,7,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-PENTACOSAFLUORO-14-IODOTETRADECANE",030046-31-2,121613,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluoro-14-iodotetradecane",C(CI)C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C14H4F25I/c15-3(16,1-2-40)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h1-2H2",DBXLDZXWSFMBRB-UHFFFAOYSA-N,C14H4F25I,774.04,773.89585,10.2,0,909,0,0,25,12,40,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"IMIDODISULFURIC ACID, HYDROXY-, DISODIUM SALT",031186-36-4,169269,disodium;N-hydroxy-N-sulfonatosulfamate,N(O)(S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/H3NO7S2.2Na/c2-1(9(3,4)5)10(6,7)8;;/h2H,(H,3,4,5)(H,6,7,8);;/q;2*+1/p-2",NVFWJWFXBLSNIW-UHFFFAOYSA-L,HNNa2O7S2,237.13,236.8989823,,155,223,0,1,8,0,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"GLYCINE, N-[IMINO(PHOSPHONOAMINO)METHYL]-N-METHYL-, SODIUM SALT",033166-68-6,23705736,sodium 2-[methyl-[(E)-N'-phosphonocarbamimidoyl]amino]acetate,CN(CC(=O)[O-])/C(=N/P(=O)(O)O)/N.[Na+],"InChI=1S/C4H10N3O5P.Na/c1-7(2-3(8)9)4(5)6-13(10,11)12;/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12);/q;+1/p-1",ZKXLDDHHUCNNBQ-UHFFFAOYSA-M,C4H9N3NaO5P,233.1,233.0177517,,139,276,0,3,6,4,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Valeric acid, 2-propyl-, calcium salt (2:1)",033433-82-8,86480,calcium bis(2-propylpentanoate),CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-].[Ca+2],"InChI=1S/2C8H16O2.Ca/c2*1-3-5-7(6-4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",PIZHURYFCSGTJX-UHFFFAOYSA-L,C16H30CaO4,326.48,326.1770003,,80.3,87,0,0,4,8,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
"METHYL-AMMONIUM SULFATE (METHYLAMINE, SULFATE (2:1)",033689-83-7,198133,methanamine;sulfuric acid,CN.CN.OS(=O)(=O)O,"InChI=1S/2CH5N.H2O4S/c2*1-2;1-5(2,3)4/h2*2H2,1H3;(H2,1,2,3,4)",NQNOMXXYKHWVKR-UHFFFAOYSA-N,C2H12N2O4S,160.2,160.051778,,135,83,0,4,6,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-Propanol, 1-amino-3-chloro-, hydrochloride, (+-)-",034839-12-8,147580,1-amino-3-chloropropan-2-ol;hydrochloride,C(C(CCl)O)N.Cl,"InChI=1S/C3H8ClNO.ClH/c4-1-3(6)2-5;/h3,6H,1-2,5H2;1H",ZCPJBHYNOFIAPJ-UHFFFAOYSA-N,C3H9Cl2NO,146.01,145.0061193,,46.3,34,0,3,2,2,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"THIOSULFURIC ACID (H2S2O3), BARIUM SALT (1:1)",035112-53-9,169663,barium(2+);dioxido-oxo-sulfanylidene-lambda6-sulfane,[O-]S(=O)(=S)[O-].[Ba+2],"InChI=1S/Ba.H2O3S2/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",ONPIOWQPHWNPOQ-UHFFFAOYSA-L,BaO3S2,249.5,249.834133,,104,82,0,0,4,0,6,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BARIUM TUNGSTEN YTTRIUM OXIDE (BA3WY2O9),037265-86-4,16212684,tris(barium(2+));tungsten;bis(yttrium);hexahydroxide;trihydrate,O.O.O.[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Y].[Y].[Ba+2].[Ba+2].[Ba+2].[W],InChI=1S/3Ba.9H2O.W.2Y/h;;;9*1H2;;;/q3*+2;;;;;;;;;;;;/p-6,DPVMVIDZXFVJTO-UHFFFAOYSA-H,Ba3H12O9WY2,929.7,931.52648,,9,12,0,9,9,0,15,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANEDIOIC ACID, SULFO-, C-ISODECYL ESTER, DISODIUM SALT",037294-49-8,162257,disodium;8-methylnonan-1-ol;2-sulfobutanedioic acid,CC(C)CCCCCCCO.C(C(C(=O)O)S(=O)(=O)O)C(=O)O.[Na+].[Na+],"InChI=1S/C10H22O.C4H6O7S.2Na/c1-10(2)8-6-4-3-5-7-9-11;5-3(6)1-2(4(7)8)12(9,10)11;;/h10-11H,3-9H2,1-2H3;2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);;/q;;2*+1",YBNSWAFWAWIDJZ-UHFFFAOYSA-N,C14H28Na2O8S+2,402.41,402.1300276,,158,352,2,4,8,11,25,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETAMIDE, 2,2-DICHLORO-N,N-DI-2-PROPENYL-",037764-25-3,37829,"2,2-dichloro-N,N-bis(prop-2-enyl)acetamide",C=CCN(CC=C)C(=O)C(Cl)Cl,"InChI=1S/C8H11Cl2NO/c1-3-5-11(6-4-2)8(12)7(9)10/h3-4,7H,1-2,5-6H2",YRMLFORXOOIJDR-UHFFFAOYSA-N,C8H11Cl2NO,208.08,207.0217694,2.4,20.3,170,0,0,1,5,12,,BP: 130 °C at 10 mm Hg,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"DODECANOIC ACID, 2-SULFO-, DISODIUM SALT",038841-48-4,23139701,disodium;2-sulfonatododecanoate,CCCCCCCCCCC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C12H24O5S.2Na/c1-2-3-4-5-6-7-8-9-10-11(12(13)14)18(15,16)17;;/h11H,2-10H2,1H3,(H,13,14)(H,15,16,17);;/q;2*+1/p-2",KKGXXVNMUUFEDZ-UHFFFAOYSA-L,C12H22Na2O5S,324.35,324.0983335,,106,299,0,0,5,9,20,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"NONANEDIOIC ACID, DILITHIUM SALT",038900-29-7,162336,dilithium;nonanedioate,[Li+].[Li+].C(CCCC(=O)[O-])CCCC(=O)[O-],"InChI=1S/C9H16O4.2Li/c10-8(11)6-4-2-1-3-5-7-9(12)13;;/h1-7H2,(H,10,11)(H,12,13);;/q;2*+1/p-2",KCEQQLDYFGMIGU-UHFFFAOYSA-L,C9H14Li2O4,200.1,200.1212158,,80.3,136,0,0,4,6,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, HYDROXY-, MONOLITHIUM SALT",039663-84-8,23688973,lithium 2-hydroxyacetate,[Li+].C(C(=O)[O-])O,"InChI=1S/C2H4O3.Li/c3-1-2(4)5;/h3H,1H2,(H,4,5);/q;+1/p-1",DSOSKIYNVXMGOA-UHFFFAOYSA-M,C2H3LiO3,82,82.02422239,,60.4,44,0,1,3,1,6,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PHOSPHONO-1,2,4-BUTANETRICARBOXYLIC ACID SODIUM SALT",040372-66-5,29920088,"(2S)-2-phosphonobutane-1,2,4-tricarboxylic acid",C(C[C@](CC(=O)O)(C(=O)O)P(=O)(O)O)C(=O)O,"InChI=1S/C7H11O9P/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16)/t7-/m0/s1",SZHQPBJEOCHCKM-ZETCQYMHSA-N,C7H11O9P,270.13,270.0140689,-2.8,169,383,0,5,9,7,17,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-OCTANAMINIUM, N,N-DIOCTYL-N-PROPYL-, CHLORIDE",040739-43-3,2735155,trioctyl(propyl)azanium chloride,CCCCCCCC[N+](CCC)(CCCCCCCC)CCCCCCCC.[Cl-],"InChI=1S/C27H58N.ClH/c1-5-9-12-15-18-21-25-28(24-8-4,26-22-19-16-13-10-6-2)27-23-20-17-14-11-7-3;/h5-27H2,1-4H3;1H/q+1;/p-1",WFEXFNMTEBFLMM-UHFFFAOYSA-M,C27H58ClN,432.2,431.4257785,,0,245,0,0,1,23,29,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SULFONIUM, BIS[(DIMETHYLAMINO)THIOXOMETHYL](3-SULFOPROPYL)-, INNER SALT",041515-04-2,73555797,3-[bis(dimethylcarbamothioyl)sulfonio]propane-1-sulfonate,CN(C)C(=S)[S+](CCCS(=O)(=O)[O-])C(=S)N(C)C,"InChI=1S/C9H18N2O3S4/c1-10(2)8(15)17(9(16)11(3)4)6-5-7-18(12,13)14/h5-7H2,1-4H3",VBYZDIRQAGBSRB-UHFFFAOYSA-N,C9H18N2O3S4,330.5,330.0200271,0.8,137,367,0,0,5,5,18,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9-OCTADECENOIC ACID (9Z)-1,1'-(1,1,3,3-TETRAMETHYL-1,3-DISTANNOXANEDIYL)ESTER",043136-18-1,16684288,[[dimethyl-[(E)-octadec-9-enoyl]oxystannyl]oxy-dimethylstannyl] (Z)-octadec-9-enoate,CCCCCCCC/C=C/CCCCCCCC(=O)O[Sn](C)(C)O[Sn](C)(C)OC(=O)CCCCCCC/C=C\CCCCCCCC,"InChI=1S/2C18H34O2.4CH3.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;;;;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);4*1H3;;;/q;;;;;;;2*+1/p-2/b10-9+;10-9-;;;;;;;",PSPGDGGOJDGOST-GIQUDXMJSA-L,C40H78O5Sn2,876.5,876.38873,,61.8,729,0,0,5,36,47,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 3-MERCAPTO-, TRIDECYL ESTER",050727-77-0,116961,tridecyl 3-sulfanylpropanoate,CCCCCCCCCCCCCOC(=O)CCS,"InChI=1S/C16H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-14-18-16(17)13-15-19/h19H,2-15H2,1H3",MJNLAPRQQJZBQN-UHFFFAOYSA-N,C16H32O2S,288.5,288.2123014,6.3,27.3,195,0,1,3,15,19,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"SULFAMIC ACID, COMPD. WITH GUANIDINE (1:1)",050979-18-5,170947,guanidine;sulfamic acid,C(=N)(N)N.NS(=O)(=O)O,"InChI=1S/CH5N3.H3NO3S/c2-1(3)4;1-5(2,3)4/h(H5,2,3,4);(H3,1,2,3,4)",LNEUSAPFBRDCPM-UHFFFAOYSA-N,CH8N4O3S,156.17,156.0317113,,165,119,0,5,5,0,9,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"STANNANE, BIS(DODECYLTHIO)DIMETHYL-",051287-84-4,9576105,bis(dodecylsulfanyl)-dimethylstannane,CCCCCCCCCCCCS[Sn](C)(C)SCCCCCCCCCCCC,"InChI=1S/2C12H26S.2CH3.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13;;;/h2*13H,2-12H2,1H3;2*1H3;/q;;;;+2/p-2",STFIYNYAZIBJNK-UHFFFAOYSA-L,C26H56S2Sn,551.6,552.284547,,50.6,279,0,0,2,24,29,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1-PROPANOL, 2-[(HYDROXYMETHYL)AMINO]-2-METHYL-",052299-20-4,62014,2-(hydroxymethylamino)-2-methylpropan-1-ol,CC(C)(CO)NCO,"InChI=1S/C5H13NO2/c1-5(2,3-7)6-4-8/h6-8H,3-4H2,1-2H3",RGDPCZKNNXHAIU-UHFFFAOYSA-N,C5H13NO2,119.16,119.0946287,-0.9,52.5,63,0,3,3,3,8,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"DIPHOSPHORIC ACID, MANGANESE(4+) SALT (1:1)",053731-35-4,171295,manganese;phosphonato phosphate,[O-]P(=O)([O-])OP(=O)([O-])[O-].[Mn],"InChI=1S/Mn.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/p-4",JDEHDSCOURWIMY-UHFFFAOYSA-J,MnO7P2-4,228.88,228.849969,,136,124,-4,0,7,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ISONONANOIC ACID, CALCIUM SALT",053988-05-9,23120470,calcium bis(7-methyloctanoate),CC(C)CCCCCC(=O)[O-].CC(C)CCCCCC(=O)[O-].[Ca+2],"InChI=1S/2C9H18O2.Ca/c2*1-8(2)6-4-3-5-7-9(10)11;/h2*8H,3-7H2,1-2H3,(H,10,11);/q;;+2/p-2",KTYKLJLZEBJWRK-UHFFFAOYSA-L,C18H34CaO4,354.5,354.2083004,,80.3,103,0,0,4,10,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
TRIMETHYLOXONIUM (OC-6-11)-HEXACHLOROANTIMONATE(1-),054075-76-2,150258,hexachloroantimony(1-);trimethyloxidanium,C[O+](C)C.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl,InChI=1S/C3H9O.6ClH.Sb/c1-4(2)3;;;;;;;/h1-3H3;6*1H;/q+1;;;;;;;+5/p-6,YAHNDGAYGJSBJE-UHFFFAOYSA-H,C3H9Cl6OSb,395.6,393.77932,,1,70,0,0,1,0,11,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANIMIDAMIDE, 2-HYDROXY-, MONOHYDROCHLORIDE",054198-71-9,3085057,2-hydroxyethanimidamide chloride,C(C(=N)N)O.[Cl-],"InChI=1S/C2H6N2O.ClH/c3-2(4)1-5;/h5H,1H2,(H3,3,4);1H/p-1",DRWDZFNIPARKSG-UHFFFAOYSA-M,C2H6ClN2O-,109.53,109.0168655,,70.1,42,-1,3,3,1,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MONOMETHYLTIN TRIS(ISOOCTYL MERCAPTOACETATE),054849-38-6,22833337,6-methylheptyl 2-[methyl-bis[[2-(6-methylheptoxy)-2-oxoethyl]sulfanyl]stannyl]sulfanylacetate,CC(C)CCCCCOC(=O)CS[Sn](C)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C,"InChI=1S/3C10H20O2S.CH3.Sn/c3*1-9(2)6-4-3-5-7-12-10(11)8-13;;/h3*9,13H,3-8H2,1-2H3;1H3;/q;;;;+3/p-3",NIXLJQORAUOBAU-UHFFFAOYSA-K,C31H60O6S3Sn,743.7,744.257406,,155,602,0,0,9,30,41,,,0,1,0,1,0,0,1,1,0,0,1,0,0,1,0,0,1,0,0,1
"CARBAMOTHIOIC ACID, ETHYL-, O-(2-METHYLPROPYL) ESTER",055860-53-2,3034831,O-(2-methylpropyl) N-ethylcarbamothioate,CCNC(=S)OCC(C)C,"InChI=1S/C7H15NOS/c1-4-8-7(10)9-5-6(2)3/h6H,4-5H2,1-3H3,(H,8,10)",HMZPXZFXOANPHS-UHFFFAOYSA-N,C7H15NOS,161.27,161.0874353,2.2,53.4,104,0,1,2,4,10,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Phosphonic acid, (3-amino-1-hydroxypropylidene)bis-, disodium salt",057248-88-1,73351,disodium;[3-amino-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate,C(CN)C(O)(P(=O)(O)[O-])P(=O)(O)[O-].[Na+].[Na+],"InChI=1S/C3H11NO7P2.2Na/c4-2-1-3(5,12(6,7)8)13(9,10)11;;/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11);;/q;2*+1/p-2",CEYUIFJWVHOCPP-UHFFFAOYSA-L,C3H9NNa2O7P2,279.03,278.9649642,,167,238,0,4,8,4,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PENTENAL, 5-(METHYLTHIO)-2-[(METHYLTHIO)METHYL]-",059902-01-1,20381861,(E)-5-methylsulfanyl-2-(methylsulfanylmethyl)pent-2-enal,CSCC/C=C(/CSC)\C=O,"InChI=1S/C8H14OS2/c1-10-5-3-4-8(6-9)7-11-2/h4,6H,3,5,7H2,1-2H3/b8-4+",VVZWQNGEMWJSTM-XBXARRHUSA-N,C8H14OS2,190.3,190.0486074,1.6,67.7,132,0,0,3,6,11,,104.00 to 105.00 °C. @ 10.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,1,1-TRIFLUOROMETHANESULFONIC ACID, COMPD. WITH N-ETHYLETHANAMINE (1:1)",060933-18-8,173774,N-ethylethanamine;trifluoromethanesulfonic acid,CCNCC.C(F)(F)(F)S(=O)(=O)O,"InChI=1S/C4H11N.CHF3O3S/c1-3-5-4-2;2-1(3,4)8(5,6)7/h5H,3-4H2,1-2H3;(H,5,6,7)",BGIBIBGZOYSFSC-UHFFFAOYSA-N,C5H12F3NO3S,223.22,223.0489989,,74.8,169,0,2,7,2,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PALLADIUM(2+), TETRAAMMINE-, (SP-4-1)-, DIACETATE",061495-96-3,6454208,azane;palladium(2+);diacetate,CC(=O)[O-].CC(=O)[O-].N.N.N.N.[Pd+2],"InChI=1S/2C2H4O2.4H3N.Pd/c2*1-2(3)4;;;;;/h2*1H3,(H,3,4);4*1H3;/q;;;;;;+2/p-2",WSHXNSFLJBJEGA-UHFFFAOYSA-L,C4H18N4O4Pd,292.63,292.03629,,84.3,25,0,4,8,0,13,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
MAGNESIUM POTASSIUM FLUORIDE,062601-48-3,10290779,magnesium;potassium;trifluoride,[F-].[F-].[F-].[Mg+2].[K+],InChI=1S/3FH.K.Mg/h3*1H;;/q;;;+1;+2/p-3,QGKQZUBNOZRZAH-UHFFFAOYSA-K,F3KMg,120.399,119.9439577,,0,0,0,0,3,0,5,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
.ALPHA.-[2-[(2-CARBOXYETHYL)THIO]ETHYL]-.OMEGA.-FLUOROPOLY(DIFLUOROMETHYLENE) LITHIUM SALT,065530-69-0,23674187,"lithium 3-(3,3,3-trifluoropropylsulfanyl)propanoate",[Li+].C(CSCCC(F)(F)F)C(=O)[O-],"InChI=1S/C6H9F3O2S.Li/c7-6(8,9)2-4-12-3-1-5(10)11;/h1-4H2,(H,10,11);/q;+1/p-1",WEQTXBLWLWRSCD-UHFFFAOYSA-M,C6H8F3LiO2S,208.2,208.0357136,,65.4,151,0,0,6,5,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-PROPENOIC ACID, 2-METHYL-, 2-[METHYL[(TRIDECAFLUOROHEXYL)SULFONYL]AMINO]ETHY",067584-61-6,105454,"2-[methyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]ethyl 2-methylprop-2-enoate",CC(=C)C(=O)OCCN(C)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C13H12F13NO4S/c1-6(2)7(28)31-5-4-27(3)32(29,30)13(25,26)11(20,21)9(16,17)8(14,15)10(18,19)12(22,23)24/h1,4-5H2,2-3H3",MVZJFKDUUZOQFM-UHFFFAOYSA-N,C13H12F13NO4S,525.28,525.0279451,4.9,72.1,830,0,0,18,11,32,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANAL, 2-METHYL-2-(METHYLDITHIO)-",067952-60-7,106217,2-methyl-2-(methyldisulfanyl)propanal,CC(C)(C=O)SSC,"InChI=1S/C5H10OS2/c1-5(2,4-6)8-7-3/h4H,1-3H3",VLBWEJJOETYCSE-UHFFFAOYSA-N,C5H10OS2,150.3,150.0173073,1,67.7,80,0,0,3,3,8,,46.00 °C. @ 1.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"HEXANOIC ACID, 3,5,5-TRIMETHYL-, IRON(2+) IRON(3+) SALT",068201-82-1,109217,"methane;3,5,5-trimethylhexanoic acid",C.C.CC(CC(=O)O)CC(C)(C)C,"InChI=1S/C9H18O2.2CH4/c1-7(5-8(10)11)6-9(2,3)4;;/h7H,5-6H2,1-4H3,(H,10,11);2*1H4",USXHQLPNVRKLJI-UHFFFAOYSA-N,C11H26O2,190.32,190.1932801,,37.3,133,0,1,2,4,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANOL, 2-[[2-(2-HYDROXYETHOXY)ETHYL]METHYLAMINO]-",068213-98-9,109756,2-[2-(2-hydroxyethoxy)ethyl-methylamino]ethanol,CN(CCO)CCOCCO,"InChI=1S/C7H17NO3/c1-8(2-4-9)3-6-11-7-5-10/h9-10H,2-7H2,1H3",DHFGYXVVIQTUSZ-UHFFFAOYSA-N,C7H17NO3,163.21,163.1208434,-1.3,52.9,80,0,2,4,7,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"6-DODECYNE-5,8-DIOL, 2,5,8,11-TETRAMETHYL-",068227-33-8,109234,"2,5,8,11-tetramethyldodec-6-yne-5,8-diol",CC(C)CCC(C)(C#CC(C)(CCC(C)C)O)O,"InChI=1S/C16H30O2/c1-13(2)7-9-15(5,17)11-12-16(6,18)10-8-14(3)4/h13-14,17-18H,7-10H2,1-6H3",RHRRUYIZUBAQTQ-UHFFFAOYSA-N,C16H30O2,254.41,254.2245802,3.5,40.5,280,0,2,2,8,18,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"GLYCINE, N-[2-(CARBOXYMETHOXY)ETHYL]-N-[2-[(1-OXODODECYL)AMINO]ETHYL]-, DISODI",068298-20-4,109973,disodium;2-[2-(carboxylatomethoxy)ethyl-[2-(dodecanoylamino)ethyl]amino]acetate,CCCCCCCCCCCC(=O)NCCN(CCOCC(=O)[O-])CC(=O)[O-].[Na+].[Na+],"InChI=1S/C20H38N2O6.2Na/c1-2-3-4-5-6-7-8-9-10-11-18(23)21-12-13-22(16-19(24)25)14-15-28-17-20(26)27;;/h2-17H2,1H3,(H,21,23)(H,24,25)(H,26,27);;/q;2*+1/p-2",QKQCPXJIOJLHAL-UHFFFAOYSA-L,C20H36N2Na2O6,446.5,446.2368754,,122,420,0,1,7,18,30,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"PALLADIUM(2+), TETRAAMMINE-, DIHYDROXIDE, (SP-4-1)-",068413-68-3,6456004,azane;palladium(2+);dihydroxide,N.N.N.N.[OH-].[OH-].[Pd+2],InChI=1S/4H3N.2H2O.Pd/h4*1H3;2*1H2;/q;;;;;;+2/p-2,IVAVXVKRJTWNEE-UHFFFAOYSA-L,H14N4O2Pd,208.56,208.01516,,6,0,0,6,6,0,7,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"1,2-ETHANEDIAMINE, N-(2-AMINOETHYL)-, TRIHYDROFLUORIDE",068444-11-1,172143,"N'-(2-aminoethyl)ethane-1,2-diamine;trihydrofluoride",C(CNCCN)N.F.F.F,"InChI=1S/C4H13N3.3FH/c5-1-3-7-4-2-6;;;/h7H,1-6H2;3*1H",HNOFHOVMZQLQHP-UHFFFAOYSA-N,C4H16F3N3,163.19,163.129632,,64.1,26,0,6,6,4,10,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, SALT WITH 2-ETHYLHEXANOICACID (1:1)",068856-36-0,111386,2-ethylhexanoate;2-hydroxyethyl(trimethyl)azanium,CCCCC(CC)C(=O)[O-].C[N+](C)(C)CCO,"InChI=1S/C8H16O2.C5H14NO/c1-3-5-6-7(4-2)8(9)10;1-6(2,3)4-5-7/h7H,3-6H2,1-2H3,(H,9,10);7H,4-5H2,1-3H3/q;+1/p-1",XUZNXNABRSCKOA-UHFFFAOYSA-M,C13H29NO3,247.37,247.2147438,,60.4,140,0,1,3,6,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, HYDROXYPHOSPHONO-, TRISODIUM SALT",078620-07-2,174151,trisodium;2-[oxido(oxidooxy)phosphoryl]acetate,C(C(=O)[O-])P(=O)([O-])O[O-].[Na+].[Na+].[Na+],"InChI=1S/C2H5O6P.3Na/c3-2(4)1-9(6,7)8-5;;;/h5H,1H2,(H,3,4)(H,6,7);;;/q;3*+1/p-3",PLVJYSAWBBKJQL-UHFFFAOYSA-K,C2H2Na3O6P,221.98,221.9282076,,113,137,0,0,6,1,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Acetonitrile, bromochloro-",083463-62-1,55004,2-bromo-2-chloroacetonitrile,C(#N)C(Cl)Br,InChI=1S/C2HBrClN/c3-2(4)1-5/h2H,BMWPPNAUMLRKML-UHFFFAOYSA-N,C2HBrClN,154.39,152.89809,1.5,23.8,63,0,0,1,0,5,,138-140 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, [(1-ETHYLPENTYL)OXY]-",092759-90-5,175522,2-heptan-3-yloxyacetic acid,CCCCC(CC)OCC(=O)O,"InChI=1S/C9H18O3/c1-3-5-6-8(4-2)12-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)",HIMHBQQZMDPFSB-UHFFFAOYSA-N,C9H18O3,174.24,174.1255944,2.4,46.5,123,0,1,3,7,12,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"HYDROXYLAMINE, O-(3-CHLORO-2-PROPENYL)-, HYDROCHLORIDE, (E)-",096992-71-1,6440696,O-[(E)-3-chloroprop-2-enyl]hydroxylamine;hydrochloride,C(/C=C/Cl)ON.Cl,"InChI=1S/C3H6ClNO.ClH/c4-2-1-3-6-5;/h1-2H,3,5H2;1H/b2-1+;",GZDAGPDHXQKVHK-TYYBGVCCSA-N,C3H7Cl2NO,144,142.9904692,,35.3,46,0,2,2,2,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHANOLAMINE-SULFUR DIOXIDE COMPLEX,063149-47-3,6454530,2-(2-hydroxyethylamino)ethanol;sulfur dioxide,C(CO)NCCO.O=S=O,"InChI=1S/C4H11NO2.O2S/c6-3-1-5-2-4-7;1-3-2/h5-7H,1-4H2;",JJNBUSRNUXDKBZ-UHFFFAOYSA-N,C4H11NO4S,169.2,169.040879,,87.6,47,0,3,6,4,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"TRIS(DIPENTYLCARBAMODITHIOATO-S,S')-ANTIMONY",015890-25-2,85168,"bis(dipentylcarbamothioylsulfanyl)stibanyl N,N-dipentylcarbamodithioate",CCCCCN(CCCCC)C(=S)S[Sb](SC(=S)N(CCCCC)CCCCC)SC(=S)N(CCCCC)CCCCC,"InChI=1S/3C11H23NS2.Sb/c3*1-3-5-7-9-12(11(13)14)10-8-6-4-2;/h3*3-10H2,1-2H3,(H,13,14);/q;;;+3/p-3",ACNHBJQDDXQFAT-UHFFFAOYSA-K,C33H66N3S6Sb,819.1,817.26191,,182,579,0,0,6,30,43,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
1-AMINOPROPENAL ACETIC ACID,024599-25-5,100321,2-(prop-2-enoylamino)acetic acid,C=CC(=O)NCC(=O)O,"InChI=1S/C5H7NO3/c1-2-4(7)6-3-5(8)9/h2H,1,3H2,(H,6,7)(H,8,9)",LZCXCXDOGAEFQX-UHFFFAOYSA-N,C5H7NO3,129.11,129.0425931,-0.3,66.4,141,0,2,3,3,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"1,2-DINITROGLYCERIN",000621-65-8,79076,(1-hydroxy-3-nitrooxypropan-2-yl) nitrate,C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O,"InChI=1S/C3H6N2O7/c6-1-3(12-5(9)10)2-11-4(7)8/h3,6H,1-2H2",GFVHBTOOPNJKLV-UHFFFAOYSA-N,C3H6N2O7,182.09,182.0175005,0.7,130,159,0,1,7,4,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PALLADIUM ETHYLENEDIAMINE SULFATE,027910-90-3,75124207,"bis(ethane-1,2-diamine);palladium(2+);sulfate",C(CN)N.C(CN)N.[O-]S(=O)(=O)[O-].[Pd+2],"InChI=1S/2C2H8N2.H2O4S.Pd/c2*3-1-2-4;1-5(2,3)4;/h2*1-4H2;(H2,1,2,3,4);/q;;;+2/p-2",VSMQONWUQMZYAX-UHFFFAOYSA-L,C4H16N4O4PdS,322.68,321.99271,,193,68,0,4,8,2,14,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
COPPER SULFATE,067989-88-2,172642988,azanium;copper;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate,C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[NH4+].[Cu+2],"InChI=1S/C10H16N2O8.Cu.H3N/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;1H3/q;+2;/p-3",CMHPCPKGHHIRER-UHFFFAOYSA-K,C10H16CuN3O8-,369.8,369.023337,,168,321,-1,1,10,0,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHYLENEDIAMINE DIACETIC ACID, DISODIUM SALT",038011-25-5,61974,disodium;2-[2-(carboxylatomethylamino)ethylamino]acetate,C(CNCC(=O)[O-])NCC(=O)[O-].[Na+].[Na+],"InChI=1S/C6H12N2O4.2Na/c9-5(10)3-7-1-2-8-4-6(11)12;;/h7-8H,1-4H2,(H,9,10)(H,11,12);;/q;2*+1/p-2",QMIFISRIAJBCGZ-UHFFFAOYSA-L,C6H10N2Na2O4,220.13,220.0435954,,104,131,0,2,6,5,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,5,5,6,6,10-HEXACHLORODECANE",090943-97-8,121232978,"1,5,5,6,6,10-hexachlorodecane",C(CCCl)CC(C(CCCCCl)(Cl)Cl)(Cl)Cl,"InChI=1S/C10H16Cl6/c11-7-3-1-5-9(13,14)10(15,16)6-2-4-8-12/h1-8H2",WFXBVJBVCUQCGH-UHFFFAOYSA-N,C10H16Cl6,348.9,347.935367,5.9,0,160,0,0,0,9,16,,,1,0,0,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
MOLYBDENUM (V) ETHOXIDE,065756-25-4,21200430,ethanolate;molybdenum,CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[Mo],"InChI=1S/5C2H5O.Mo/c5*1-2-3;/h5*2H2,1H3;/q5*-1;",YZEGBLRYVFVTTE-UHFFFAOYSA-N,C10H25MoO5-5,321.25,323.075603,,115,2,-5,0,5,0,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"GUANIDINE , MONOHYDROPDIDE",019227-70-4,19820467,guanidine;hydroiodide,C(=N)(N)N.I,"InChI=1S/CH5N3.HI/c2-1(3)4;/h(H5,2,3,4);1H",UUDRLGYROXTISK-UHFFFAOYSA-N,CH6IN3,186.98,186.96064,,75.9,26,0,4,1,0,5,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHOCREATINE, SODIUM SALT",000922-32-7,71588,disodium;2-[methyl-(N'-phosphonatocarbamimidoyl)amino]acetic acid,CN(CC(=O)O)C(=NP(=O)([O-])[O-])N.[Na+].[Na+],"InChI=1S/C4H10N3O5P.2Na/c1-7(2-3(8)9)4(5)6-13(10,11)12;;/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12);;/q;2*+1/p-2",RNTXMYSPASRLFT-UHFFFAOYSA-L,C4H8N3Na2O5P,255.08,254.9996959,,142,259,0,2,6,3,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GLYPHOSATE-TRIMESIUM,081591-81-3,105048,2-(phosphonomethylamino)acetate;trimethylsulfanium,C[S+](C)C.C(C(=O)[O-])NCP(=O)(O)O,"InChI=1S/C3H8NO5P.C3H9S/c5-3(6)1-4-2-10(7,8)9;1-4(2)3/h4H,1-2H2,(H,5,6)(H2,7,8,9);1-3H3/q;+1/p-1",RUCAXVJJQQJZGU-UHFFFAOYSA-M,C6H16NO5PS,245.24,245.0486808,,111,165,0,3,6,3,14,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"HEXANEDIOIC ACID, DILITHIUM SALT",018621-94-8,167733,dilithium;hexanedioate,[Li+].[Li+].C(CCC(=O)[O-])CC(=O)[O-],"InChI=1S/C6H10O4.2Li/c7-5(8)3-1-2-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);;/q;2*+1/p-2",ZPJGNHUPXGDASP-UHFFFAOYSA-L,C6H8Li2O4,158.1,158.0742656,,80.3,103,0,0,4,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,2,3,3-TETRACHLOROHEXAFLUOROBUTANE",000375-34-8,67811,"2,2,3,3-tetrachloro-1,1,1,4,4,4-hexafluorobutane",C(C(C(F)(F)F)(Cl)Cl)(C(F)(F)F)(Cl)Cl,"InChI=1S/C4Cl4F6/c5-1(6,3(9,10)11)2(7,8)4(12,13)14",BZBLUUDREZEDDJ-UHFFFAOYSA-N,C4Cl4F6,303.8,303.86288,4.8,0,191,0,0,6,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
VANADIUM SULFATE,013566-06-8,166848,vanadium(2+) sulfate,[O-]S(=O)(=O)[O-].[V+2],"InChI=1S/H2O4S.V/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2",VLOPEOIIELCUML-UHFFFAOYSA-L,O4SV,147.01,146.895687,,88.6,62,0,0,4,0,6,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"SULFURIC ACID, IRON(3+) SALT (3:2), HEPTAHYDRATE",035139-28-7,56841451,bis(iron(3+));trisulfate;heptahydrate,O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Fe+3].[Fe+3],"InChI=1S/2Fe.3H2O4S.7H2O/c;;3*1-5(2,3)4;;;;;;;/h;;3*(H2,1,2,3,4);7*1H2/q2*+3;;;;;;;;;;/p-6",XNCMOUSLNOHBKY-UHFFFAOYSA-H,Fe2H14O19S3,526,525.799013,,273,62,0,7,19,0,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,1,3,3-TETRAETHOXYPROPANE",000122-31-6,67147,"1,1,3,3-tetraethoxypropane",CCOC(CC(OCC)OCC)OCC,"InChI=1S/C11H24O4/c1-5-12-10(13-6-2)9-11(14-7-3)15-8-4/h10-11H,5-9H2,1-4H3",KVJHGPAAOUGYJX-UHFFFAOYSA-N,C11H24O4,220.31,220.1674592,1.8,36.9,104,0,0,4,10,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-PROPENOIC ACID, 2-[2-(ETHENYLOXY)ETHOXY]ETHYL ESTER",086273-46-3,23067259,2-(2-ethenoxyethoxy)ethyl prop-2-enoate,C=CC(=O)OCCOCCOC=C,"InChI=1S/C9H14O4/c1-3-9(10)13-8-7-12-6-5-11-4-2/h3-4H,1-2,5-8H2",URQQDYIVGXOEDA-UHFFFAOYSA-N,C9H14O4,186.2,186.0892089,1.2,44.8,165,0,0,4,9,13,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
GALLIUM ANTIMONIDE,012064-03-8,6335277,gallium antimony,[Ga+3].[Sb],InChI=1S/Ga.Sb/q+3;,HDDJZDZAJXHQIL-UHFFFAOYSA-N,GaSb+3,191.483,189.82938,,0,0,3,0,0,0,2,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM CARBONATE SESQUIHYDRATE,006381-79-9,2734018,tetrapotassium;dicarbonate;trihydrate,C(=O)([O-])[O-].C(=O)([O-])[O-].O.O.O.[K+].[K+].[K+].[K+],"InChI=1S/2CH2O3.4K.3H2O/c2*2-1(3)4;;;;;;;/h2*(H2,2,3,4);;;;;3*1H2/q;;4*+1;;;/p-4",WWVGGBSGYNQKCY-UHFFFAOYSA-J,C2H6K4O9,330.46,329.8560077,,129,18,0,3,9,0,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM HEXACHLORORHODATE(III),014972-70-4,161102,trisodium;rhodium(3+);hexachloride,[Na+].[Na+].[Na+].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Rh+3],InChI=1S/6ClH.3Na.Rh/h6*1H;;;;/q;;;;;;3*+1;+3/p-6,YDEXHLGYVJSKTN-UHFFFAOYSA-H,Cl6Na3Rh,384.6,383.68497,,0,0,0,0,6,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
COBALT(II) IODIDE,015238-00-3,84850,cobalt(2+) diiodide,[Co+2].[I-].[I-],InChI=1S/Co.2HI/h;2*1H/q+2;;/p-2,AVWLPUQJODERGA-UHFFFAOYSA-L,CoI2,312.7421,312.74214,,0,0,0,0,2,0,3,,,0,1,1,1,0,0,0,1,0,0,1,0,0,0,0,0,1,1,0,1
"9,10-DIHYDROXYSTEARIC ACID",000636-33-9,89377,"9,10-dihydroxyoctadecanoic acid",CCCCCCCCC(C(CCCCCCCC(=O)O)O)O,"InChI=1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)",VACHUYIREGFMSP-UHFFFAOYSA-N,C18H36O4,316.5,316.2613596,5.1,77.8,255,0,3,4,16,22,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
METHYLAMMONIUM IODIDE,014965-49-2,519034,methylazanium iodide,C[NH3+].[I-],"InChI=1S/CH5N.HI/c1-2;/h2H2,1H3;1H",LLWRXQXPJMPHLR-UHFFFAOYSA-N,CH6IN,158.97,158.9545,,27.6,2,0,1,1,0,3,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PRASEODYMIUM BARIUM COPPER OXIDE,,137300683,oxobarium;oxocopper;oxo(oxopraseodymiooxy)praseodymium,O=[Cu].O=[Cu].O=[Cu].O=[Ba].O=[Ba].O=[Pr]O[Pr]=O,InChI=1S/2Ba.3Cu.8O.2Pr,LMAGVTZYWXQNES-UHFFFAOYSA-N,Ba2Cu3O8Pr2,875.1,876.37211,,129,38,0,0,8,0,15,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BARIUM TRIFLUOROACETATE HYDRATE,,15976007,"barium(2+);bis(2,2,2-trifluoroacetate)",C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Ba+2],"InChI=1S/2C2HF3O2.Ba/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2",BQJILRFOGPBJQJ-UHFFFAOYSA-L,C4BaF6O4,363.36,363.875325,,80.3,77,0,0,10,0,15,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-CYANO-1-BUTANETHIOL,,22033187,5-sulfanylpentanenitrile,C(CCS)CC#N,"InChI=1S/C5H9NS/c6-4-2-1-3-5-7/h7H,1-3,5H2",PABCJNLBWRWMLO-UHFFFAOYSA-N,C5H9NS,115.2,115.0455705,0.9,24.8,71,0,1,2,3,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbonic acid, dilithium salt and 2-chloro-10-(3-(dimethylamino)propyl)phenoth",,767,carbonic acid,C(=O)(O)O,"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)",BVKZGUZCCUSVTD-UHFFFAOYSA-N,CH2O3,62.025,62.00039392,-0.1,57.5,26,0,2,3,0,4,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NONANAMIDE, N-[2-[[2-[[2-[(2-AMINOETHYL)AMINO]ETHYL]AMINO]ETHYL]AMINO]ETHYL]-,",068908-77-0,70709,nonanamide,CCCCCCCCC(=O)N,"InChI=1S/C9H19NO/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H2,10,11)",GHLZUHZBBNDWHW-UHFFFAOYSA-N,C9H19NO,157.25,157.1466642,2.9,43.1,102,0,1,1,7,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIBASIC ESTER,,125339,dimethyl butanedioate;dimethyl hexanedioate;dimethyl pentanedioate,COC(=O)CCCCC(=O)OC.COC(=O)CCCC(=O)OC.COC(=O)CCC(=O)OC,"InChI=1S/C8H14O4.C7H12O4.C6H10O4/c1-11-7(9)5-3-4-6-8(10)12-2;1-10-6(8)4-3-5-7(9)11-2;1-9-5(7)3-4-6(8)10-2/h3-6H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3",QYMFNZIUDRQRSA-UHFFFAOYSA-N,C21H36O12,480.5,480.2206766,,158,374,0,0,12,18,33,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ZWITTERGENT 3-12,,84703,3-[dodecyl(dimethyl)azaniumyl]propane-1-sulfonate,CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-],"InChI=1S/C17H37NO3S/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-22(19,20)21/h4-17H2,1-3H3",IZWSFJTYBVKZNK-UHFFFAOYSA-N,C17H37NO3S,335.5,335.2494152,5,65.6,334,0,0,3,14,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POLYLACTIC ACID (PLA),,92209,2-methoxypropanoic acid,CC(C(=O)O)OC,"InChI=1S/C4H8O3/c1-3(7-2)4(5)6/h3H,1-2H3,(H,5,6)",ICPWFHKNYYRBSZ-UHFFFAOYSA-N,C4H8O3,104.1,104.0473441,0.1,46.5,69,0,1,3,2,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
O-METHYLHYDROXYLAMINE HYDROCHLORIDE,000593-56-6,521874,O-methylhydroxylamine;hydrochloride,CON.Cl,"InChI=1S/CH5NO.ClH/c1-3-2;/h2H2,1H3;1H",XNXVOSBNFZWHBV-UHFFFAOYSA-N,CH6ClNO,83.52,83.0137915,,35.3,4,0,2,2,0,4,,,1,1,0,1,0,1,1,1,0,0,0,0,0,0,0,0,1,1,1,0
FERRIC ACETYLACETONATE,014024-18-1,5483663,iron(3+);tris((Z)-4-oxopent-2-en-2-olate),C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Fe+3],"InChI=1S/3C5H8O2.Fe/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-;",AQBLLJNPHDIAPN-LNTINUHCSA-K,C15H21FeO6,353.17,353.068749,,120,90,0,0,6,3,22,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
BIS(2-ETHYLHEXYL)AMINE,000106-20-7,7791,2-ethyl-N-(2-ethylhexyl)hexan-1-amine,CCCCC(CC)CNCC(CC)CCCC,"InChI=1S/C16H35N/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-17H,5-14H2,1-4H3",SAIKULLUBZKPDA-UHFFFAOYSA-N,C16H35N,241.46,241.2769501,6.1,12,128,0,1,1,12,17,"270 °F (NTP, 1992)","538 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"TRIMETHYL-N,2-HYDROXYETHYL-PROPYLENEDIAMINE",082136-26-3,3086144,2-[3-(dimethylamino)propyl-methylamino]ethanol,CN(C)CCCN(C)CCO,"InChI=1S/C8H20N2O/c1-9(2)5-4-6-10(3)7-8-11/h11H,4-8H2,1-3H3",KPRGCHOFIFFEST-UHFFFAOYSA-N,C8H20N2O,160.26,160.1575633,0,26.7,86,0,1,3,6,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NICKEL(II) OXALATE DIHYDRATE,006018-94-6,516789,nickel(2+);oxalate;dihydrate,C(=O)(C(=O)[O-])[O-].O.O.[Ni+2],"InChI=1S/C2H2O4.Ni.2H2O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);;2*1H2/q;+2;;/p-2",VNYOIRCILMCTHO-UHFFFAOYSA-L,C2H4NiO6,182.74,181.936129,,82.3,60,0,2,6,0,9,,,1,1,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,1,0
TITANIUM POTASSIUM OXALATE,014481-26-6,50915936,dipotassium;oxalate;oxygen(2-);titanium(4+),C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[O-2].[K+].[K+].[Ti+4],"InChI=1S/2C2H2O4.2K.O.Ti/c2*3-1(4)2(5)6;;;;/h2*(H,3,4)(H,5,6);;;;/q;;2*+1;-2;+4/p-4",GKMXREIWPASRMP-UHFFFAOYSA-J,C4K2O9Ti,318.1,317.8295852,,162,60,0,0,9,0,16,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"N-(6-AMINOHEXYL)-1,6-HEXANEDIAMINE",000143-23-7,8924,"N'-(6-aminohexyl)hexane-1,6-diamine",C(CCCNCCCCCCN)CCN,"InChI=1S/C12H29N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h15H,1-14H2",MRNZSTMRDWRNNR-UHFFFAOYSA-N,C12H29N3,215.38,215.2361479,0.8,64.1,95,0,3,3,12,15,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
DIMETHYL PHOSPHATE,000813-78-5,13134,dimethyl hydrogen phosphate,COP(=O)(O)OC,"InChI=1S/C2H7O4P/c1-5-7(3,4)6-2/h1-2H3,(H,3,4)",KKUKTXOBAWVSHC-UHFFFAOYSA-N,C2H7O4P,126.05,126.0081957,-1.2,55.8,81,0,1,4,2,7,"greater than 200 °F (NTP, 1992)","342 to 349 °F at 760 mmHg (decomposes) (NTP, 1992)",0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
CHROMIUM TRIBROMIDE,010031-25-1,5155129,tribromochromium,[Cr](Br)(Br)Br,InChI=1S/3BrH.Cr/h3*1H;/q;;;+3/p-3,UZDWIWGMKWZEPE-UHFFFAOYSA-K,Br3Cr,291.71,290.69347,,0,8,0,0,0,0,4,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,1,0,0
"ETHANEDIOIC ACID, COBALT(2+) SALT (1:1)",000814-89-1,24190661,cobalt;oxalic acid,C(=O)(C(=O)O)O.[Co],"InChI=1S/C2H2O4.Co/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);",GHVNNFKGRJGVLD-UHFFFAOYSA-N,C2H2CoO4,148.97,148.928502,,74.6,71,0,2,4,1,7,,,1,1,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,1,0,0
"1,8-OCTANEDIAMINE, 4-(AMINOMETHYL)-",001572-55-0,94211,"4-(aminomethyl)octane-1,8-diamine",C(CCN)CC(CCCN)CN,"InChI=1S/C9H23N3/c10-6-2-1-4-9(8-12)5-3-7-11/h9H,1-8,10-12H2",HMJBXEZHJUYJQY-UHFFFAOYSA-N,C9H23N3,173.3,173.1891977,-0.6,78.1,85,0,3,3,8,12,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANOL, 2-AMINO-, ETHANEDIOATE (2:1) (SALT)",002799-19-1,165036,bis(2-aminoethanol);oxalic acid,C(CO)N.C(CO)N.C(=O)(C(=O)O)O,"InChI=1S/2C2H7NO.C2H2O4/c2*3-1-2-4;3-1(4)2(5)6/h2*4H,1-3H2;(H,3,4)(H,5,6)",LRWMQRKAIGWOKP-UHFFFAOYSA-N,C6H16N2O6,212.2,212.1008362,,167,81,0,6,8,3,14,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
3-(TRIMETHOXYSILYL)PROPYL ISOCYANATE,015396-00-6,84892,3-isocyanatopropyl(trimethoxy)silane,CO[Si](CCCN=C=O)(OC)OC,"InChI=1S/C7H15NO4Si/c1-10-13(11-2,12-3)6-4-5-8-7-9/h4-6H2,1-3H3",FMGBDYLOANULLW-UHFFFAOYSA-N,C7H15NO4Si,205.28,205.0770345,,57.1,169,0,0,5,7,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0,1,1,0,0
"PROPANOIC ACID, 3-MERCAPTO-, 1,2-ETHANEDIYL ESTER",022504-50-3,89735,2-(3-sulfanylpropanoyloxy)ethyl 3-sulfanylpropanoate,C(CS)C(=O)OCCOC(=O)CCS,"InChI=1S/C8H14O4S2/c9-7(1-5-13)11-3-4-12-8(10)2-6-14/h13-14H,1-6H2",HAQZWTGSNCDKTK-UHFFFAOYSA-N,C8H14O4S2,238.3,238.0333513,0.5,54.6,164,0,2,6,9,14,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"BORON, TRICHLORO(N,N-DIMETHYL-1-OCTANAMINE)-, (T-4)-",034762-90-8,72698549,trichloro-[dimethyl(octyl)azaniumyl]boranuide,[B-]([N+](C)(C)CCCCCCCC)(Cl)(Cl)Cl,"InChI=1S/C10H23BCl3N/c1-4-5-6-7-8-9-10-15(2,3)11(12,13)14/h4-10H2,1-3H3",FXWXWPYCGVUYAA-UHFFFAOYSA-N,C10H23BCl3N,274.5,273.098913,,0,169,0,0,1,7,15,,,1,1,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,1,0,1
"TRIETHYLENETETRAMINE [N-(2-AMINOETHYL)-1,4-PIPERAZINEDIETHANAMINE]",031295-46-2,160198,"N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine",C(CNCCN(CCN)CCN)N,"InChI=1S/C8H23N5/c9-1-4-12-5-8-13(6-2-10)7-3-11/h12H,1-11H2",ZORWGXDYTKQJQG-UHFFFAOYSA-N,C8H23N5,189.3,189.1953458,-3,93.3,92,0,4,5,9,13,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
3-(AZIDOPROPYL)TRIETHOXYSILANE,083315-69-9,18519390,3-azidopropyl(triethoxy)silane,CCO[Si](CCCN=[N+]=[N-])(OCC)OCC,"InChI=1S/C9H21N3O3Si/c1-4-13-16(14-5-2,15-6-3)9-7-8-11-12-10/h4-9H2,1-3H3",DHFNCWQATZVOGB-UHFFFAOYSA-N,C9H21N3O3Si,247.37,247.1352181,,42.1,205,0,0,5,10,16,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM FERROCYANIDE,013601-19-9,26129,tetrasodium;iron(2+);hexacyanide,[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Na+].[Na+].[Na+].[Na+].[Fe+2],InChI=1S/6CN.Fe.4Na/c6*1-2;;;;;/q6*-1;+2;4*+1,GTSHREYGKSITGK-UHFFFAOYSA-N,C6FeN6Na4,303.91,303.912457,,143,127,0,0,12,0,17,,,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
IRON(II) OXALATE DIHYDRATE,006047-25-2,10589,iron(2+);oxalate,C(=O)(C(=O)[O-])[O-].[Fe+2],"InChI=1S/C2H2O4.Fe/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",OWZIYWAUNZMLRT-UHFFFAOYSA-L,C2FeO4,143.86,143.914594,,80.3,60,0,0,4,0,7,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
IRON(III) OXALATE,002944-66-3,168963,bis(iron(3+));oxalate,C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Fe+3].[Fe+3],"InChI=1S/3C2H2O4.2Fe/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6",VEPSWGHMGZQCIN-UHFFFAOYSA-H,C6Fe2O12,375.75,375.808847,,241,60,0,0,12,0,20,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SULFLURAMID,004151-50-2,77797,"N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide",CCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C10H6F17NO2S/c1-2-28-31(29,30)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h28H,2H2,1H3",CCEKAJIANROZEO-UHFFFAOYSA-N,C10H6F17NO2S,527.2,526.9847784,5.6,54.6,763,0,1,20,9,31,,196 °C,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"HYDRAZINE, ETHYL-, ETHANEDIOATE (1:1)",006629-60-3,96181,ethylhydrazine;oxalic acid,CCNN.C(=O)(C(=O)O)O,"InChI=1S/C2H8N2.C2H2O4/c1-2-4-3;3-1(4)2(5)6/h4H,2-3H2,1H3;(H,3,4)(H,5,6)",DUMHBFMURBWDPC-UHFFFAOYSA-N,C4H10N2O4,150.13,150.0640568,,113,79,0,4,6,2,10,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
GUANIDINE THIOCYANATE,000593-84-0,65046,guanidine;thiocyanic acid,C(#N)S.C(=N)(N)N,"InChI=1S/CH5N3.CHNS/c2-1(3)4;2-1-3/h(H5,2,3,4);3H",ZJYYHGLJYGJLLN-UHFFFAOYSA-N,C2H6N4S,118.16,118.0313174,,101,57,0,4,3,0,7,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
2-BROMOHEXANOIC ACID,000616-05-7,12013,2-bromohexanoic acid,CCCCC(C(=O)O)Br,"InChI=1S/C6H11BrO2/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)",HZTPKMIMXLTOSK-UHFFFAOYSA-N,C6H11BrO2,195.05,193.99424,2.4,37.3,93,0,1,2,4,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIBUTYLPHOSPHINE OXIDE,000814-29-9,13138,1-dibutylphosphorylbutane,CCCCP(=O)(CCCC)CCCC,"InChI=1S/C12H27OP/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-12H2,1-3H3",MNZAKDODWSQONA-UHFFFAOYSA-N,C12H27OP,218.32,218.1799525,3.1,17.1,137,0,0,1,9,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-METHYL-1,5-PENTANEDIAMINE",015520-10-2,85862,"2-methylpentane-1,5-diamine",CC(CCCN)CN,"InChI=1S/C6H16N2/c1-6(5-8)3-2-4-7/h6H,2-5,7-8H2,1H3",JZUHIOJYCPIVLQ-UHFFFAOYSA-N,C6H16N2,116.2,116.1313485,-0.1,52,45,0,2,2,4,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"IODINE, ISOTOPE OF MASS 125",014158-31-7,131873571,iodane,[125IH],InChI=1S/I/i1-2,ZCYVEMRRCGMTRW-YPZZEJLDSA-N,I,124.90463,124.90463,0.9,0,0,0,0,0,0,1,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
"ETHANOL, 2-BUTOXY-, PHOSPHATE",039454-62-1,170210,2-butoxyethanol;phosphoric acid,CCCCOCCO.OP(=O)(O)O,"InChI=1S/C6H14O2.H3O4P/c1-2-3-5-8-6-4-7;1-5(2,3)4/h7H,2-6H2,1H3;(H3,1,2,3,4)",GOVVUSWLMILHDF-UHFFFAOYSA-N,C6H17O6P,216.17,216.0762753,,107,87,0,4,6,5,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ZIRCONIUM(IV) ACETYLACETONATE,017501-44-9,14693848,"tetrakis(pentane-2,4-dione);zirconium(4+)",CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Zr+4],"InChI=1S/4C5H7O2.Zr/c4*1-4(6)3-5(2)7;/h4*3H,1-2H3;/q4*-1;+4",DFPGFWYWSAYLCW-UHFFFAOYSA-N,C20H28O8Zr,487.7,486.083117,,137,439,0,0,12,8,29,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAMETHYLAMMONIUM FLUORIDE,000373-68-2,67803,tetramethylazanium fluoride,C[N+](C)(C)C.[F-],"InChI=1S/C4H12N.FH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1",GTDKXDWWMOMSFL-UHFFFAOYSA-M,C4H12FN,93.14,93.09537755,,0,19,0,0,1,0,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"MAGNESIUM 2,4-PENTANEDIONATE, DIHYDRATE",068488-07-3,78759299,magnesium;bis((E)-4-oxopent-2-en-2-olate);dihydrate,C/C(=C\C(=O)C)/[O-].C/C(=C\C(=O)C)/[O-].O.O.[Mg+2],"InChI=1S/2C5H8O2.Mg.2H2O/c2*1-4(6)3-5(2)7;;;/h2*3,6H,1-2H3;;2*1H2/q;;+2;;/p-2/b2*4-3+;;;",LDRHDOBLZDBGOP-VVDZMTNVSA-L,C10H18MgO6,258.55,258.09538,,82.3,90,0,2,6,2,17,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
S-METHYLISOTHIOSEMICARBAZIDE HYDROIODIDE,035600-34-1,2774472,methyl N'-aminocarbamimidothioate;hydroiodide,CSC(=NN)N.I,"InChI=1S/C2H7N3S.HI/c1-6-2(3)5-4;/h4H2,1H3,(H2,3,5);1H",NYMQJWVULPQXBK-UHFFFAOYSA-N,C2H8IN3S,233.08,232.94837,,89.7,59,0,3,3,1,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, MERCAPTO-, 1,2-ETHANEDIYL ESTER",000123-81-9,61059,2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate,C(COC(=O)CS)OC(=O)CS,"InChI=1S/C6H10O4S2/c7-5(3-11)9-1-2-10-6(8)4-12/h11-12H,1-4H2",PSYGHMBJXWRQFD-UHFFFAOYSA-N,C6H10O4S2,210.3,210.0020511,0.6,54.6,142,0,2,6,7,12,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"SILANE, TRIHEXYL-",002929-52-4,6327464,,CCCCCC[Si](CCCCCC)CCCCCC,"InChI=1S/C18H39Si/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3",ISPSHPOFLYFIRR-UHFFFAOYSA-N,C18H39Si,283.6,283.2821028,,0,127,0,0,0,15,19,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEXANE, 2,5-DICHLORO-2,5-DIMETHYL-",006223-78-5,80360,"2,5-dichloro-2,5-dimethylhexane",CC(C)(CCC(C)(C)Cl)Cl,"InChI=1S/C8H16Cl2/c1-7(2,9)5-6-8(3,4)10/h5-6H2,1-4H3",HSTAGCWQAIXJQM-UHFFFAOYSA-N,C8H16Cl2,183.12,182.0629059,3.4,0,91,0,0,0,3,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-HEXADECANAMINIUM, N,N,N-TRIMETHYL-, SULFATE (1:1)",068214-07-3,109763,hexadecyl(trimethyl)azanium;hydrogen sulfate,CCCCCCCCCCCCCCCC[N+](C)(C)C.OS(=O)(=O)[O-],"InChI=1S/C19H42N.H2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-5(2,3)4/h5-19H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1",UCRJJNVFJGKYQT-UHFFFAOYSA-M,C19H43NO4S,381.6,381.29128,,85.8,257,0,1,4,15,25,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-ETHYLHEXYL NITRATE,027247-96-7,62823,2-ethylhexyl nitrate,CCCCC(CC)CO[N+](=O)[O-],"InChI=1S/C8H17NO3/c1-3-5-6-8(4-2)7-12-9(10)11/h8H,3-7H2,1-2H3",NKRVGWFEFKCZAP-UHFFFAOYSA-N,C8H17NO3,175.23,175.1208434,4,55.1,122,0,0,3,6,12,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANENITRILE, 2,3-DIBROMO-",004554-16-9,107299,"2,3-dibromopropanenitrile",C(C(C#N)Br)Br,"InChI=1S/C3H3Br2N/c4-1-3(5)2-6/h3H,1H2",ARRIEYYNOLTVTE-UHFFFAOYSA-N,C3H3Br2N,212.87,212.86117,1.6,23.8,72,0,0,1,1,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM THIOCYANATE,000540-72-7,516871,sodium thiocyanate,C(#N)[S-].[Na+],InChI=1S/CHNS.Na/c2-1-3;/h3H;/q;+1/p-1,VGTPCRGMBIAPIM-UHFFFAOYSA-M,CNNaS,81.07,80.96491446,,24.8,34,0,0,2,0,4,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
COBALT(II) BROMIDE,007789-43-7,24610,dibromocobalt,[Co](Br)Br,InChI=1S/2BrH.Co/h2*1H;/q;;+2/p-2,BZRRQSJJPUGBAA-UHFFFAOYSA-L,Br2Co,218.74,218.76782,,0,2,0,0,0,0,3,"Not Applicable. Not flammable. (USCG, 1999)","Loses 4 H2O at 212 °F. and all H2O at 266 °F. (USCG, 1999)",1,1,1,1,0,1,1,1,0,0,1,0,0,0,1,0,1,1,0,1
STANNOUS OXALATE,000814-94-8,13149,oxalate;tin(2+),C(=O)(C(=O)[O-])[O-].[Sn+2],"InChI=1S/C2H2O4.Sn/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",OQBLGYCUQGDOOR-UHFFFAOYSA-L,C2O4Sn,206.73,207.881861,,80.3,60,0,0,4,0,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,1,0
"1-OCTANOL, ANHYDROUS",000111-87-5,957,octan-1-ol,CCCCCCCCO,"InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",KBPLFHHGFOOTCA-UHFFFAOYSA-N,C8H18O,130.23,130.1357652,3,20.2,43,0,1,1,6,9,"178 °F (USCG, 1999)","383 °F at 760 mmHg (USCG, 1999)",0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"OXALIC ACID, DIHYDRATE",006153-56-6,61373,oxalic acid;dihydrate,C(=O)(C(=O)O)O.O.O,"InChI=1S/C2H2O4.2H2O/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);2*1H2",GEVPUGOOGXGPIO-UHFFFAOYSA-N,C2H6O6,126.07,126.0164379,,76.6,71,0,4,6,1,8,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,0
BIS(2-ETHYLHEXYL)PHOSPHATE,000298-07-7,9275,bis(2-ethylhexyl) hydrogen phosphate,CCCCC(CC)COP(=O)(O)OCC(CC)CCCC,"InChI=1S/C16H35O4P/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,17,18)",SEGLCEQVOFDUPX-UHFFFAOYSA-N,C16H35O4P,322.42,322.2272966,5.2,55.8,259,0,1,4,14,21,"385 °F (USCG, 1999)",155 °C at 0.015 mm Hg,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM TRIHYDROGEN DIOXALATE DIHYDRATE,006100-20-5,23664780,potassium;2-hydroxy-2-oxoacetate;oxalic acid;dihydrate,C(=O)(C(=O)O)O.C(=O)(C(=O)[O-])O.O.O.[K+],"InChI=1S/2C2H2O4.K.2H2O/c2*3-1(4)2(5)6;;;/h2*(H,3,4)(H,5,6);;2*1H2/q;;+1;;/p-1",KPFHSTZUXXJAES-UHFFFAOYSA-M,C4H7KO10,254.19,253.9676279,,154,159,0,5,10,2,15,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"POTASSIUM OXALATE, MONOHYDRATE",006487-48-5,2724193,dipotassium;oxalate;hydrate,C(=O)(C(=O)[O-])[O-].O.[K+].[K+],"InChI=1S/C2H2O4.2K.H2O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);;;1H2/q;2*+1;/p-2",QCPTVXCMROGZOL-UHFFFAOYSA-L,C2H2K2O5,184.23,183.9176361,,81.3,60,0,1,5,0,9,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CUPRIC OXALATE,005893-66-3,13148,copper oxalate,C(=O)(C(=O)[O-])[O-].[Cu+2],"InChI=1S/C2H2O4.Cu/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",QYCVHILLJSYYBD-UHFFFAOYSA-L,C2CuO4,151.56,150.909256,,80.3,60,0,0,4,0,7,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
AMMONIUM OXALATE (ANHYDROUS),001113-38-8,14213,diazanium;oxalate,C(=O)(C(=O)[O-])[O-].[NH4+].[NH4+],"InChI=1S/C2H2O4.2H3N/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);2*1H3",VBIXEXWLHSRNKB-UHFFFAOYSA-N,C2H8N2O4,124.1,124.0484067,,82.3,60,0,2,4,0,8,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
CADMIUM STEARATE,002223-93-0,16681,cadmium(2+);bis(octadecanoate),CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Cd+2],"InChI=1S/2C18H36O2.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",GWOWVOYJLHSRJJ-UHFFFAOYSA-L,C36H70CdO4,679.4,680.430776,,80.3,196,0,0,4,30,41,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DIISOPROPYL SULFATE,002973-10-6,18096,dipropan-2-yl sulfate,CC(C)OS(=O)(=O)OC(C)C,"InChI=1S/C6H14O4S/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3",HWBLTYHIEYOAOL-UHFFFAOYSA-N,C6H14O4S,182.24,182.0612801,1.3,61,171,0,0,4,4,11,,,0,1,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,0
METHACRYLIC ANHYDRIDE,000760-93-0,12974,2-methylprop-2-enoyl 2-methylprop-2-enoate,CC(=C)C(=O)OC(=O)C(=C)C,"InChI=1S/C8H10O3/c1-5(2)7(9)11-8(10)6(3)4/h1,3H2,2,4H3",DCUFMVPCXCSVNP-UHFFFAOYSA-N,C8H10O3,154.16,154.0629942,1.8,43.4,201,0,0,3,4,11,,"192 °F at 5 mmHg (EPA, 1998)",0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
TRISODIUM EDETATE,000150-38-9,9008,trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate,C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Na+].[Na+].[Na+],"InChI=1S/C10H16N2O8.3Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;3*+1/p-3",QZKRHPLGUJDVAR-UHFFFAOYSA-K,C10H13N2Na3O8,358.19,358.0364982,,164,351,0,1,10,8,23,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0
2-ACRYLAMIDO-2-METHYL-1-PROPANESULFONIC,015214-89-8,65360,2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid,CC(C)(CS(=O)(=O)O)NC(=O)C=C,"InChI=1S/C7H13NO4S/c1-4-6(9)8-7(2,3)5-13(10,11)12/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12)",XHZPRMZZQOIPDS-UHFFFAOYSA-N,C7H13NO4S,207.25,207.0565291,-0.4,91.9,299,0,2,4,4,13,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2'(ETHYLENEBIS(OXY))BISACETIC ACID",023243-68-7,90039,2-[2-(carboxymethoxy)ethoxy]acetic acid,C(COCC(=O)O)OCC(=O)O,"InChI=1S/C6H10O6/c7-5(8)3-11-1-2-12-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)",CQWXKASOCUAEOW-UHFFFAOYSA-N,C6H10O6,178.14,178.047738,-0.9,93.1,136,0,2,6,7,12,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H,1H-PERFLUORO-1-NONANOL",000423-56-3,533991,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononan-1-ol",C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C9H3F17O/c10-2(11,1-27)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h27H,1H2",BSXJTDJJVULBTQ-UHFFFAOYSA-N,C9H3F17O,450.09,449.9912435,5.3,20.2,543,0,1,18,7,27,,,0,0,1,1,0,1,0,1,0,0,0,0,0,1,0,0,1,0,1,1
"N-ETHYL-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-HEPTADECAFLUORO-N-(2-HYDROXYETHYL)-1-OCTANESULFONAMIDE",001691-99-2,74322,"N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)octane-1-sulfonamide",CCN(CCO)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C12H10F17NO3S/c1-2-30(3-4-31)34(32,33)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h31H,2-4H2,1H3",HUFHNYZNTFSKCT-UHFFFAOYSA-N,C12H10F17NO3S,571.25,571.0109931,5.1,66,830,0,1,21,11,34,,,0,0,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"GLYCINE, N-ETHYL-N-[(HEPTADECAFLUOROOCTYL)SULFONYL]-",002991-50-6,18134,"2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]acetic acid",CCN(CC(=O)O)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C12H8F17NO4S/c1-2-30(3-4(31)32)35(33,34)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h2-3H2,1H3,(H,31,32)",CKRXVVGETMYFIO-UHFFFAOYSA-N,C12H8F17NO4S,585.24,584.9902577,5.4,83.1,905,0,1,22,11,35,,,0,0,1,1,0,1,1,1,0,0,0,0,0,1,0,0,1,0,1,1
BARIUM HYDROXIDE MONOHYDRATE,022326-55-2,16211219,barium(2+);dihydroxide;hydrate,O.[OH-].[OH-].[Ba+2],InChI=1S/Ba.3H2O/h;3*1H2/q+2;;;/p-2,GKQTUHKAQKWLIN-UHFFFAOYSA-L,BaH4O3,189.36,189.921291,,3,2,0,3,3,0,4,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRIS(HYDROXYMETHYL)NITROMETHANE,000126-11-4,31337,"2-(hydroxymethyl)-2-nitropropane-1,3-diol",C(C(CO)(CO)[N+](=O)[O-])O,"InChI=1S/C4H9NO5/c6-1-4(2-7,3-8)5(9)10/h6-8H,1-3H2",OLQJQHSAWMFDJE-UHFFFAOYSA-N,C4H9NO5,151.12,151.0480724,-2.2,107,107,0,3,5,3,10,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
ANTIMONY(III) ACETATE,006923-52-0,23354,antimony(3+) triacetate,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Sb+3],"InChI=1S/3C2H4O2.Sb/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",JVLRYPRBKSMEBF-UHFFFAOYSA-K,C6H9O6Sb,298.89,297.94372,,120,25,0,0,6,0,13,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-BUTANOL, ANTIMONY(3+) SALT",002155-74-0,102217,antimony(3+);tris(butan-1-olate),CCCC[O-].CCCC[O-].CCCC[O-].[Sb+3],"InChI=1S/3C4H9O.Sb/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3",YGBFTDQFAKDXBZ-UHFFFAOYSA-N,C12H27O3Sb,341.1,340.09983,,69.2,13,0,0,3,6,16,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
ANTIMONY (III) SULFATE,007446-32-4,24010,bis(antimony(3+));trisulfate,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Sb+3].[Sb+3],"InChI=1S/3H2O4S.2Sb/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+3/p-6",MVMLTMBYNXHXFI-UHFFFAOYSA-H,O12S3Sb2,531.7,531.66322,,266,62,0,0,12,0,17,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM PERFLUOROOCTANOATE,002395-00-8,4253803,"potassium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate",C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-].[K+],"InChI=1S/C8HF15O2.K/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1",WPDDXKNWUVLZMQ-UHFFFAOYSA-M,C8F15KO2,452.16,451.9295832,,40.1,536,0,0,17,6,26,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRISODIUM TETRATHIOANTIMONATE,013776-84-6,13751471,,[Na+].[Na+].[Na+].[SH-].[SH-].[SH-].S=[Sb],InChI=1S/3Na.3H2S.S.Sb/h;;;3*1H2;;/q3*+1;;;;;/p-3,FBZSTSSPKIVXEO-UHFFFAOYSA-K,H3Na3S4Sb,322,320.78488,,35.1,3,0,3,4,0,8,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANEDINITRILE, ETHYL-",017611-82-4,86593,2-ethylbutanedinitrile,CCC(CC#N)C#N,"InChI=1S/C6H8N2/c1-2-6(5-8)3-4-7/h6H,2-3H2,1H3",GDCJAPJJFZWILF-UHFFFAOYSA-N,C6H8N2,108.14,108.0687483,0.5,47.6,142,0,0,2,2,8,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"CARBAMIC ACID, BUTYL-, 2-PROPYNYL ESTER",076114-73-3,10877354,prop-2-ynyl N-butylcarbamate,CCCCNC(=O)OCC#C,"InChI=1S/C8H13NO2/c1-3-5-6-9-8(10)11-7-4-2/h2H,3,5-7H2,1H3,(H,9,10)",JTDBXHIIVZZXDH-UHFFFAOYSA-N,C8H13NO2,155.19,155.0946287,1.3,38.3,157,0,1,2,5,11,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
NICKEL(II) SULFATE HEXAHYDRATE,010101-97-0,5284429,nickel(2+);sulfate;hexahydrate,O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Ni+2],"InChI=1S/Ni.H2O4S.6H2O/c;1-5(2,3)4;;;;;;/h;(H2,1,2,3,4);6*1H2/q+2;;;;;;;/p-2",RRIWRJBSCGCBID-UHFFFAOYSA-L,H12NiO10S,262.85,261.950459,,94.6,62,0,6,10,0,12,,"Decomposes at 1544 °F (NTP, 1992)",1,0,1,1,0,1,1,0,0,0,1,0,0,1,1,0,1,1,1,0
LEAD CHLORIDE,007758-95-4,24459,dichlorolead,Cl[Pb]Cl,InChI=1S/2ClH.Pb/h2*1H;/q;;+2/p-2,HWSZZLVAJGOAAY-UHFFFAOYSA-L,Cl2Pb,278,277.91436,,0,2,0,0,0,0,3,,"1742 °F at 760 mmHg (USCG, 1999)",1,0,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"COBALT(II) CHLORIDE, HEXAHYDRATE",007791-13-1,24643,cobalt(2+);dichloride;hexahydrate,O.O.O.O.O.O.[Cl-].[Cl-].[Co+2],InChI=1S/2ClH.Co.6H2O/h2*1H;;6*1H2/q;;+2;;;;;;/p-2,GFHNAMRJFCEERV-UHFFFAOYSA-L,Cl2CoH12O6,237.93,236.934287,,6,0,0,6,8,0,9,,,1,0,1,1,0,1,1,1,0,0,1,0,0,1,1,0,0,1,0,0
LEAD ETHYLHEXANOATE,000301-08-6,160451,bis(2-ethylhexanoate);lead(2+),CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Pb+2],"InChI=1S/2C8H16O2.Pb/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",RUCPTXWJYHGABR-UHFFFAOYSA-L,C16H30O4Pb,493,494.19106,,80.3,93,0,0,4,8,21,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
LEAD CITRATE,000512-26-5,159739,"bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+))",C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Pb+2].[Pb+2].[Pb+2],"InChI=1S/2C6H8O7.3Pb/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6",HOQPTLCRWVZIQZ-UHFFFAOYSA-H,C12H10O14Pb3,1000,999.93482,,281,211,0,2,14,4,29,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
LEAD TETRAACETATE,000546-67-8,11025,lead(2+) tetraacetate,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Pb+2],"InChI=1S/4C2H4O2.Pb/c4*1-2(3)4;/h4*1H3,(H,3,4);/q;;;;+2/p-4",ACKFDYCQCBEDNU-UHFFFAOYSA-J,C8H12O8Pb-2,443,444.02987,,161,25,-2,0,8,0,17,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"PROPANOIC ACID, COBALT(2+) SALT",001560-69-6,62409,cobalt(2+);propanoate,CCC(=O)[O-].CCC(=O)[O-].[Co+2],"InChI=1S/2C3H6O2.Co/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2",TZWGXFOSKIHUPW-UHFFFAOYSA-L,C6H10CoO4,205.07,204.991102,,80.3,34,0,0,4,0,11,,,1,0,1,1,0,0,1,1,0,0,0,0,0,1,0,0,0,1,0,0
"SULFURIC ACID, AMMONIUM COBALT(2+) SALT (2:2:1)",013596-46-8,26125,diazanium;cobalt(2+);disulfate,[NH4+].[NH4+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Co+2],"InChI=1S/Co.2H3N.2H2O4S/c;;;2*1-5(2,3)4/h;2*1H3;2*(H2,1,2,3,4)/q+2;;;;/p-2",NUHXWPRATKOXDB-UHFFFAOYSA-L,CoH8N2O8S2,287.14,286.905401,,179,62,0,2,8,0,13,,,1,0,1,1,0,1,1,1,0,0,1,0,0,1,1,0,1,1,0,1
"2-ETHYLHEXANOIC ACID, LEAD SALT",016996-40-0,61864,2-ethylhexanoic acid;lead(2+),CCCCC(CC)C(=O)O.[Pb+2],"InChI=1S/C8H16O2.Pb/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+2",QBENASORNMPSRU-UHFFFAOYSA-N,C8H16O2Pb+2,351,352.09168,,37.3,99,2,1,2,5,11,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"ISONONANOIC ACID, LEAD SALT",027253-41-4,117961,lead(2+);bis(7-methyloctanoate),CC(C)CCCCCC(=O)[O-].CC(C)CCCCCC(=O)[O-].[Pb+2],"InChI=1S/2C9H18O2.Pb/c2*1-8(2)6-4-3-5-7-9(10)11;/h2*8H,3-7H2,1-2H3,(H,10,11);/q;;+2/p-2",ACUMJPUCLKGCOC-UHFFFAOYSA-L,C18H34O4Pb,521,522.22236,,80.3,103,0,0,4,10,23,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"PHOSPHORIC ACID, BARIUM SALT (2:3)",013517-08-3,165803,tris(barium(2+)) diphosphate,[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ba+2].[Ba+2].[Ba+2],"InChI=1S/3Ba.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6",WAKZZMMCDILMEF-UHFFFAOYSA-H,Ba3O8P2,601.9,603.622582,,173,36,0,0,8,0,13,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ANTIMONY OXIDE,001327-33-9,74002,dioxo(oxostibanyloxy)-lambda5-stibane,O=[Sb]O[Sb](=O)=O,InChI=1S/4O.2Sb,AHBGXHAWSHTPOM-UHFFFAOYSA-N,O4Sb2,307.52,307.78769,,60.4,86,0,0,4,0,6,,,0,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
BARIUM TETRACYANOPLATINATE,000562-81-2,168921,barium(2+);platinum(2+);tetracyanide,[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Ba+2].[Pt+2],InChI=1S/4CN.Ba.Pt/c4*1-2;;/q4*-1;2*+2,NYZDVLMJPDRZEA-UHFFFAOYSA-N,C4BaN4Pt,436.48,436.882337,,95.2,10,0,0,8,0,10,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ANTIMONY LEAD OXIDE (SB2PB3O8),013510-89-9,134687277,bis(antimony(5+));tris(lead(2+));octakis(oxygen(2-)),[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Sb+5].[Sb+5].[Pb+2].[Pb+2].[Pb+2],InChI=1S/8O.3Pb.2Sb/q8*-2;3*+2;2*+5,QVDJSOYTQRDSLZ-UHFFFAOYSA-N,O8Pb3Sb2,990,993.69511,,8,0,0,0,8,0,13,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
BARIUM BROMIDE,010553-31-8,5462743,barium(2+) dibromide,[Br-].[Br-].[Ba+2],InChI=1S/Ba.2BrH/h;2*1H/q+2;;/p-2,NKQIMNKPSDEDMO-UHFFFAOYSA-L,BaBr2,297.13,297.73987,,0,0,0,0,2,0,3,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"TETRAFLUOROBORATE(1-), LEAD(2+) (2:1)",013814-96-5,12598180,lead(2+) ditetrafluoroborate,[B-](F)(F)(F)F.[B-](F)(F)(F)F.[Pb+2],"InChI=1S/2BF4.Pb/c2*2-1(3,4)5;/q2*-1;+2",UQGXAENNKXXYNF-UHFFFAOYSA-N,B2F8Pb,381,381.98249,,0,19,0,0,10,0,11,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,1,0,1,1
LEAD MONOXIDE,001317-36-8,14827,oxolead,O=[Pb],InChI=1S/O.Pb,YEXPOXQUZXUXJW-UHFFFAOYSA-N,OPb,223,223.97157,,17.1,2,0,0,1,0,2,,1472 °C,1,0,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
LEAD HYDROXIDE (PB(OH)2),019783-14-3,9859601,lead(2+) dihydroxide,[OH-].[OH-].[Pb+2],InChI=1S/2H2O.Pb/h2*1H2;/q;;+2/p-2,VNZYIVBHUDKWEO-UHFFFAOYSA-L,H2O2Pb,241,241.98213,,2,0,0,2,2,0,3,,,1,0,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
LEAD(II) SULFATE,007446-14-2,24008,lead(2+) sulfate,[O-]S(=O)(=O)[O-].[Pb+2],"InChI=1S/H2O4S.Pb/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2",KEQXNNJHMWSZHK-UHFFFAOYSA-L,O4PbS,303,303.92838,,88.6,62,0,0,4,0,6,,,1,0,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"LEAD ACETATE, TRIHYDRATE",006080-56-4,22456,lead(2+);diacetate;trihydrate,CC(=O)[O-].CC(=O)[O-].O.O.O.[Pb+2],"InChI=1S/2C2H4O2.3H2O.Pb/c2*1-2(3)4;;;;/h2*1H3,(H,3,4);3*1H2;/q;;;;;+2/p-2",MCEUZMYFCCOOQO-UHFFFAOYSA-L,C4H12O7Pb,379,380.03495,,83.3,25,0,3,7,0,12,,"392 °F at 760 mmHg (decomposes) (NTP, 1992)",1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
ETHYLENE GLYCOL METHYL ETHER ACETATE,000110-49-6,8054,2-methoxyethyl acetate,CC(=O)OCCOC,"InChI=1S/C5H10O3/c1-5(6)8-4-3-7-2/h3-4H2,1-2H3",XLLIQLLCWZCATF-UHFFFAOYSA-N,C5H10O3,118.13,118.0629942,0,35.5,70,0,0,3,4,8,"111 °F (NTP, 1992)","293 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
ISOBUTYRIC ACID,000079-31-2,6590,2-methylpropanoic acid,CC(C)C(=O)O,"InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)",KQNPFQTWMSNSAP-UHFFFAOYSA-N,C4H8O2,88.11,88.05242949,0.8,37.3,56,0,1,2,1,6,"132 °F (NFPA, 2010)","309 °F at 760 mmHg (USCG, 1999)",0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
N-HEXYL ALCOHOL,000111-27-3,8103,hexan-1-ol,CCCCCCO,"InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3",ZSIAUFGUXNUGDI-UHFFFAOYSA-N,C6H14O,102.17,102.1044651,2,20.2,27,0,1,1,4,7,"145 °F (USCG, 1999)","314.8 °F at 760 mmHg (USCG, 1999)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-BUTOXYETHANOL,000111-76-2,8133,2-butoxyethanol,CCCCOCCO,"InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3",POAOYUHQDCAZBD-UHFFFAOYSA-N,C6H14O2,118.17,118.0993797,0.8,29.5,37,0,1,2,5,8,"141 °F (NTP, 1992)","340 °F at 743 mmHg (NTP, 1992)",0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DIMETHYLCARBAMOYL CHLORIDE,000079-44-7,6598,"N,N-dimethylcarbamoyl chloride",CN(C)C(=O)Cl,InChI=1S/C3H6ClNO/c1-5(2)3(4)6/h1-2H3,YIIMEMSDCNDGTB-UHFFFAOYSA-N,C3H6ClNO,107.54,107.0137915,0.8,20.3,61,0,0,1,0,6,"155 °F (NTP, 1992)","329 to 333 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3-DIAMINODIPROPYLAMINE",000056-18-8,5942,"N'-(3-aminopropyl)propane-1,3-diamine",C(CN)CNCCCN,"InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2",OTBHHUPVCYLGQO-UHFFFAOYSA-N,C6H17N3,131.22,131.1422476,-1.4,64.1,41,0,3,3,6,9,"175 °F (NTP, 1992)","465.1 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
BUTYRIC ANHYDRIDE,000106-31-0,7798,butanoyl butanoate,CCCC(=O)OC(=O)CCC,"InChI=1S/C8H14O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H2,1-2H3",YHASWHZGWUONAO-UHFFFAOYSA-N,C8H14O3,158.19,158.0942943,1.6,43.4,124,0,0,3,6,11,"180 °F (NFPA, 2010)",200 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,1,3,3-TETRAMETHYLUREA",000632-22-4,12437,"1,1,3,3-tetramethylurea",CN(C)C(=O)N(C)C,InChI=1S/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3,AVQQQNCBBIEMEU-UHFFFAOYSA-N,C5H12N2O,116.16,116.094963,0.2,23.6,78,0,0,1,0,8,ABOUT 75 °C,176.5 °C,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
ETHYL METHANESULPHONATE,000062-50-0,6113,ethyl methanesulfonate,CCOS(=O)(=O)C,"InChI=1S/C3H8O3S/c1-3-6-7(2,4)5/h3H2,1-2H3",PLUBXMRUUVWRLT-UHFFFAOYSA-N,C3H8O3S,124.16,124.0194153,0,51.8,118,0,0,3,2,7,"212 °F (NTP, 1992)","415 to 416 °F at 761 mmHg (NTP, 1992)",0,0,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
3-AMINO-1-PROPANOL,000156-87-6,9086,3-aminopropan-1-ol,C(CN)CO,"InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2",WUGQZFFCHPXWKQ-UHFFFAOYSA-N,C3H9NO,75.11,75.06841391,-1.1,46.3,16,0,2,2,2,5,"175 °F (USCG, 1999)","369.5 °F at 760 mmHg (USCG, 1999)",0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-BUTENE, 2,3,4-TRICHLORO-",002431-50-7,17073,"2,3,4-trichlorobut-1-ene",C=C(C(CCl)Cl)Cl,"InChI=1S/C4H5Cl3/c1-3(6)4(7)2-5/h4H,1-2H2",WZUZDBPJFHQVJC-UHFFFAOYSA-N,C4H5Cl3,159.44,157.945683,2.5,0,69,0,0,0,2,7,63 °C,60 °C @ 20 MM HG,1,0,1,1,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BUTANONE, 1-CHLORO-3,3-DIMETHYL-",013547-70-1,83572,"1-chloro-3,3-dimethylbutan-2-one",CC(C)(C)C(=O)CCl,"InChI=1S/C6H11ClO/c1-6(2,3)5(8)4-7/h4H2,1-3H3",ULSAJQMHTGKPIY-UHFFFAOYSA-N,C6H11ClO,134.6,134.0498427,2,17.1,91,0,0,1,2,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-DIMETHYLAMINOPROPIONITRILE,001738-25-6,15615,3-(dimethylamino)propanenitrile,CN(C)CCC#N,"InChI=1S/C5H10N2/c1-7(2)5-3-4-6/h3,5H2,1-2H3",MTPJEFOSTIKRSS-UHFFFAOYSA-N,C5H10N2,98.15,98.08439833,0,27,77,0,0,2,2,7,"147 °F (NIOSH, 2024)","342 °F at 760 mmHg (NIOSH, 2024)",0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0
DIALLATE,002303-16-4,5284376,"S-[(Z)-2,3-dichloroprop-2-enyl] N,N-di(propan-2-yl)carbamothioate",CC(C)N(C(C)C)C(=O)SC/C(=C/Cl)/Cl,"InChI=1S/C10H17Cl2NOS/c1-7(2)13(8(3)4)10(14)15-6-9(12)5-11/h5,7-8H,6H2,1-4H3/b9-5-",SPANOECCGNXGNR-UITAMQMPSA-N,C10H17Cl2NOS,270.22,269.0407907,3.6,45.6,234,0,0,2,5,15,77 °C,150 °C @ 9 MM HG,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Stannane, butyltrichloro-",001118-46-3,14236,butyl(trichloro)stannane,CCCC[Sn](Cl)(Cl)Cl,"InChI=1S/C4H9.3ClH.Sn/c1-3-4-2;;;;/h1,3-4H2,2H3;3*1H;/q;;;;+3/p-3",YMLFYGFCXGNERH-UHFFFAOYSA-K,C4H9Cl3Sn,282.2,281.879186,,0,58,0,0,0,2,8,81 °C (closed cup),102 °C @ 12 mm Hg,1,0,1,1,0,0,1,1,0,0,1,0,0,1,0,0,1,0,1,1
"2,2-AZOBIS(2-METHYLPROPANIMIDAMIDE) DIHYDROCHLORIDE",002997-92-4,76344,2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;dihydrochloride,CC(C)(C(=N)N)N=NC(C)(C)C(=N)N.Cl.Cl,"InChI=1S/C8H18N6.2ClH/c1-7(2,5(9)10)13-14-8(3,4)6(11)12;;/h1-4H3,(H3,9,10)(H3,11,12);2*1H",LXEKPEMOWBOYRF-UHFFFAOYSA-N,C8H20Cl2N6,271.19,270.1126501,,124,248,0,6,4,4,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
CALCIUM CYANAMIDE,000156-62-7,56955933,calcium azanidylidenemethylideneazanide,C(=[N-])=[N-].[Ca+2],InChI=1S/CN2.Ca/c2-1-3;/q-2;+2,MYFXBBAEXORJNB-UHFFFAOYSA-N,CCaN2,80.1,79.9687389,,2,18,0,0,2,0,4,,"Sublimes >2102 °F (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
PHOSPHOROUS ACID,013598-36-2,407,phosphonic acid,OP(=O)O,"InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)",ABLZXFCXXLZCGV-UHFFFAOYSA-N,H3O3P,81.996,81.98198095,-1.6,57.5,26,0,2,3,0,4,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
(+/-)-2-METHYLBUTYRIC ACID,000600-07-7,8314,2-methylbutanoic acid,CCC(C)C(=O)O,"InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)",WLAMNBDJUVNPJU-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,1.2,37.3,68,0,1,2,2,7,,176.00 to 177.00 °C. @ 760.00 mm Hg,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"CARBONOCHLORIDIC ACID, 3-CHLOROPROPYL ESTER",000628-11-5,69399,3-chloropropyl carbonochloridate,C(COC(=O)Cl)CCl,InChI=1S/C4H6Cl2O2/c5-2-1-3-8-4(6)7/h1-3H2,MTXMEFUEBCFWCY-UHFFFAOYSA-N,C4H6Cl2O2,156.99,155.9744848,2.1,26.3,74,0,0,2,4,8,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,1,0
"METHANAMINIUM, N-(CHLOROMETHYLENE)-N-METHYL-, CHLORIDE",003724-43-4,77311,chloromethylidene(dimethyl)azanium chloride,C[N+](=CCl)C.[Cl-],"InChI=1S/C3H7ClN.ClH/c1-5(2)3-4;/h3H,1-2H3;1H/q+1;/p-1",QQVDYSUDFZZPSU-UHFFFAOYSA-M,C3H7Cl2N,128,126.9955546,,3,44,0,0,1,0,6,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0
NITRILOTRIACETIC ACID TRISODIUM,005064-31-3,21152,trisodium;2-[bis(carboxylatomethyl)amino]acetate,C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+],"InChI=1S/C6H9NO6.3Na/c8-4(9)1-7(2-5(10)11)3-6(12)13;;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);;;/q;3*+1/p-3",DZCAZXAJPZCSCU-UHFFFAOYSA-K,C6H6NNa3O6,257.08,256.9888198,,124,171,0,0,7,3,16,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0
PHOSPHORUS OXYCHLORIDE,010025-87-3,24813,phosphoryl trichloride,O=P(Cl)(Cl)Cl,"InChI=1S/Cl3OP/c1-5(2,3)4",XHXFXVLFKHQFAL-UHFFFAOYSA-N,Cl3OP,153.33,151.875235,1.7,17.1,53,0,0,1,0,5,"Not Flammable (EPA, 1998)","223 °F at 760 mmHg (EPA, 1998)",0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0
BARIUM SULFIDE,021109-95-5,6857597,barium(2+) sulfide,[S-2].[Ba+2],InChI=1S/Ba.S/q+2;-2,CJDPJFRMHVXWPT-UHFFFAOYSA-N,BaS,169.39,169.877318,,1,0,0,0,1,0,2,,,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
COPPER (II) TETRAFLUOROBORATE HYDRATE,207121-39-9,170058,copper ditetrafluoroborate,[B-](F)(F)(F)F.[B-](F)(F)(F)F.[Cu+2],"InChI=1S/2BF4.Cu/c2*2-1(3,4)5;/q2*-1;+2",HMUNZEYTSRPVBE-UHFFFAOYSA-N,B2CuF8,237.16,236.935433,,0,19,0,0,10,0,11,,"212 °F at 760 mmHg (approx.) (USCG, 1999)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CHLOROPICRIN,000076-06-2,6423,trichloro(nitro)methane,C([N+](=O)[O-])(Cl)(Cl)Cl,"InChI=1S/CCl3NO2/c2-1(3,4)5(6)7",LFHISGNCFUNFFM-UHFFFAOYSA-N,CCl3NO2,164.37,162.899461,2.1,45.8,79,0,0,2,0,7,,"234 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LITHIUM BIS(FLUOROSULFONYL)IMIDE,171611-11-3,86277430,lithium bis(fluorosulfonyl)azanide,[Li+].[N-](S(=O)(=O)F)S(=O)(=O)F,"InChI=1S/F2NO4S2.Li/c1-8(4,5)3-9(2,6)7;/q-1;+1",VDVLPSWVDYJFRW-UHFFFAOYSA-N,F2LiNO4S2,187.1,186.9396846,,86,235,0,0,7,2,10,,,0,1,0,1,0,0,0,1,0,0,1,0,0,1,0,0,1,0,0,0
"OCTANOIC ACID, 2-PROPENYL ESTER",004230-97-1,20219,prop-2-enyl octanoate,CCCCCCCC(=O)OCC=C,"InChI=1S/C11H20O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h4H,2-3,5-10H2,1H3",PZGMUSDNQDCNAG-UHFFFAOYSA-N,C11H20O2,184.27,184.1463299,3.8,26.3,141,0,0,2,9,13,,87.00 to 88.00 °C. @ 5.50 mm Hg,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N-DECYL-N,N-DIMETHYL-1-DECANAMINIUM CHLORIDE",007173-51-5,23558,didecyl(dimethyl)azanium chloride,CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Cl-],"InChI=1S/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1",RUPBZQFQVRMKDG-UHFFFAOYSA-M,C22H48ClN,362.1,361.3475282,,0,200,0,0,1,18,24,,>180 °C; decomposes before boiling at 1 atm /OECD Guideline 103/,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CALCIUM CHROMATE,013765-19-0,26264,calcium dioxido(dioxo)chromium,[O-][Cr](=O)(=O)[O-].[Ca+2],InChI=1S/Ca.Cr.4O/q+2;;;;2*-1,RFAFBXGYHBOUMV-UHFFFAOYSA-N,CaCrO4,156.07,155.882754,,80.3,62,0,0,4,0,6,,,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CALCIUM DICHROMATE(CRVI),014307-33-6,61731,calcium oxido-(oxido(dioxo)chromio)oxy-dioxochromium,[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].[Ca+2],InChI=1S/Ca.2Cr.7O/q+2;;;;;;;;2*-1,RMISVBXFFXBNAD-UHFFFAOYSA-N,CaCr2O7,256.07,255.808003,,124,194,0,0,7,0,10,,,0,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"TETRAFLUOROBORATE(1-), CADMIUM (2:1)",014486-19-2,12886773,cadmium(2+) ditetrafluoroborate,[B-](F)(F)(F)F.[B-](F)(F)(F)F.[Cd+2],"InChI=1S/2BF4.Cd/c2*2-1(3,4)5;/q2*-1;+2",NXOFSPIMFJTFSE-UHFFFAOYSA-N,B2CdF8,286.03,287.909201,,0,19,0,0,10,0,11,,,0,0,0,1,0,1,1,0,0,0,0,0,0,0,1,0,1,1,0,0
HEXAFLUOROSILICATE(2-) ZINC (1:1),016871-71-9,28116,zinc hexafluorosilicon(2-),F[Si-2](F)(F)(F)(F)F.[Zn+2],"InChI=1S/F6Si.Zn/c1-7(2,3,4,5)6;/q-2;+2",IRPUQLOSQCXHEW-UHFFFAOYSA-N,F6SiZn,207.5,205.896487,,0,62,0,0,7,0,8,,"122 to 158 °F at 760 mmHg (decomposes) (USCG, 1999)",1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-HEPTADECAFLUORO-1-OCTANESULFONIC ACID, AMMONIUM SALT",029081-56-9,120124,"azane;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid",C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F.N,"InChI=1S/C8HF17O3S.H3N/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h(H,26,27,28);1H3",UAWBWGUIUMQJIT-UHFFFAOYSA-N,C8H4F17NO3S,517.16,516.9640429,,63.8,727,0,2,21,7,30,,,0,0,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
CUPRIC SULFATE,007758-98-7,24462,copper sulfate,[O-]S(=O)(=O)[O-].[Cu+2],"InChI=1S/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",ARUVKPQLZAKDPS-UHFFFAOYSA-L,CuO4S,159.61,158.881327,,88.6,62,0,0,4,0,6,,650 °C (decomp to cupric oxide),1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
BARIUM CARBONATE,000513-77-9,10563,barium(2+) carbonate,C(=O)([O-])[O-].[Ba+2],"InChI=1S/CH2O3.Ba/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",AYJRCSIUFZENHW-UHFFFAOYSA-L,CBaO3,197.34,197.889991,,63.2,18,0,0,3,0,5,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BARIUM FLUORIDE,007787-32-8,62670,barium(2+) difluoride,[F-].[F-].[Ba+2],InChI=1S/Ba.2FH/h;2*1H/q+2;;/p-2,OYLGJCQECKOTOL-UHFFFAOYSA-L,BaF2,175.32,175.902053,,0,2,0,0,2,0,3,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BARIUM HEXAFLUOROSILICATE,017125-80-3,28299,barium(2+);hexafluorosilicon(2-),F[Si-2](F)(F)(F)(F)F.[Ba+2],"InChI=1S/Ba.F6Si/c;1-7(2,3,4,5)6/q+2;-2",RRLMRHFZRPYSNK-UHFFFAOYSA-N,BaF6Si,279.4,279.872593,,0,62,0,0,7,0,8,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"OCTANOIC ACID, CALCIUM SALT",006107-56-8,16610,calcium bis(octanoate),CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Ca+2],"InChI=1S/2C8H16O2.Ca/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2",NDWWLJQHOLSEHX-UHFFFAOYSA-L,C16H30CaO4,326.48,326.1770003,,80.3,83,0,0,4,10,21,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, ISOTHIOCYANATO-, ETHYL ESTER",024066-82-8,32202,ethyl 2-isothiocyanatoacetate,CCOC(=O)CN=C=S,"InChI=1S/C5H7NO2S/c1-2-8-5(7)3-6-4-9/h2-3H2,1H3",IYPSSPPKMLXXRN-UHFFFAOYSA-N,C5H7NO2S,145.18,145.0197496,2.1,70.8,140,0,0,4,4,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,3-TRICHLOROPROPANE",000096-18-4,7285,"1,2,3-trichloropropane",C(C(CCl)Cl)Cl,"InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2",CFXQEHVMCRXUSD-UHFFFAOYSA-N,C3H5Cl3,147.43,145.945683,1.8,0,25,0,0,0,2,6,"180 °F (NTP, 1992)","313 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2-BROMO-2-NITRO-1,3-PROPANEDIOL",000052-51-7,2450,"2-bromo-2-nitropropane-1,3-diol",C(C(CO)([N+](=O)[O-])Br)O,"InChI=1S/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2",LVDKZNITIUWNER-UHFFFAOYSA-N,C3H6BrNO4,199.99,198.94802,-0.6,86.3,107,0,2,4,2,9,167 °C,"305.1 °F at 760 mmHg (NTP, 1992)",1,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CADMIUM NITRATE,010325-94-7,25154,cadmium(2+) dinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Cd+2],InChI=1S/Cd.2NO3/c;2*2-1(3)4/q+2;2*-1,XIEPJMXMMWZAAV-UHFFFAOYSA-N,CdN2O6,236.42,237.879001,,126,18,0,0,6,0,9,,,1,1,1,1,0,1,1,0,0,0,1,0,0,0,0,0,0,0,1,0
POTASSIUM HEPTADECAFLUOROOCTANE-1-SULFONATE,002795-39-3,23669238,"potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate",C(C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F.[K+],"InChI=1S/C8HF17O3S.K/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h(H,26,27,28);/q;+1/p-1",WFRUBUQWJYMMRQ-UHFFFAOYSA-M,C8F17KO3S,538.22,537.8933753,,65.6,733,0,0,20,7,30,,,0,0,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
Bis(dimethyldithiocarbamato)Zinc,000137-30-4,8722,"zinc bis(N,N-dimethylcarbamodithioate)",CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zn+2],"InChI=1S/2C3H7NS2.Zn/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2",DUBNHZYBDBBJHD-UHFFFAOYSA-L,C6H12N2S4Zn,305.8,303.917475,,72.7,54,0,0,4,0,13,"200 °F (NTP, 1992)",,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,1,1
DIMETHOATE,000060-51-5,3082,2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide,CNC(=O)CSP(=S)(OC)OC,"InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)",MCWXGJITAZMZEV-UHFFFAOYSA-N,C5H12NO3PS2,229.3,228.9996226,0.8,105,191,0,1,5,5,12,"124 °F (EPA, 1998)","243 °F at 0.1 mmHg (NTP, 1992)",0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
(S)-(-)-2-CHLOROPROPIONIC ACID,029617-66-1,107915,(2S)-2-chloropropanoic acid,C[C@@H](C(=O)O)Cl,"InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m0/s1",GAWAYYRQGQZKCR-REOHCLBHSA-N,C3H5ClO2,108.52,107.9978071,0.8,37.3,61,0,1,2,1,6,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"8-OXA-3,5-DITHIA-4-STANNATETRADECANOIC ACID, 10-ETHYL-4,4-DIMETHYL-7-OXO-, 2-E",057583-35-4,9576130,2-ethylhexyl 2-[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl-dimethylstannyl]sulfanylacetate,CCCCC(CC)COC(=O)CS[Sn](C)(C)SCC(=O)OCC(CC)CCCC,"InChI=1S/2C10H20O2S.2CH3.Sn/c2*1-3-5-6-9(4-2)7-12-10(11)8-13;;;/h2*9,13H,3-8H2,1-2H3;2*1H3;/q;;;;+2/p-2",YAHBZWSDRFSFOO-UHFFFAOYSA-L,C22H44O4S2Sn,555.4,556.170305,,103,409,0,0,6,20,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,1,1,0
"ETHANAMINIUM, N-ETHYL-N,N-DIMETHYL-, HYDROXIDE",095500-19-9,12025426,diethyl(dimethyl)azanium hydroxide,CC[N+](C)(C)CC.[OH-],"InChI=1S/C6H16N.H2O/c1-5-7(3,4)6-2;/h5-6H2,1-4H3;1H2/q+1;/p-1",JQDCIBMGKCMHQV-UHFFFAOYSA-M,C6H17NO,119.21,119.1310142,,1,42,0,1,1,2,8,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CARTAP,015263-52-2,30913,S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride,CN(C)C(CSC(=O)N)CSC(=O)N.Cl,"InChI=1S/C7H15N3O2S2.ClH/c1-10(2)5(3-13-6(8)11)4-14-7(9)12;/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,12);1H",MSHXTAQSSIEBQS-UHFFFAOYSA-N,C7H16ClN3O2S2,273.8,273.0372468,,140,193,0,3,5,7,15,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRAETHYLENEPENTAMINE,000112-57-2,8197,"N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine",C(CNCCNCCNCCN)N,"InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2",FAGUFWYHJQFNRV-UHFFFAOYSA-N,C8H23N5,189.3,189.1953458,-2.9,88.1,78,0,5,5,10,13,"325 °F (NTP, 1992)","644 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
BARIUM MESOSILICATE,012650-28-1,166725,barium(2+);dioxido(oxo)silane,[O-][Si](=O)[O-].[Ba+2],InChI=1S/Ba.O3Si/c;1-4(2)3/q+2;-2,HMOQPOVBDRFNIU-UHFFFAOYSA-N,BaO3Si,213.41,213.866917,,63.2,18,0,0,3,0,5,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRIMETHYLAMINE N-OXIDE,001184-78-7,1145,"N,N-dimethylmethanamine oxide",C[N+](C)(C)[O-],"InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3",UYPYRKYUKCHHIB-UHFFFAOYSA-N,C3H9NO,75.11,75.06841391,-0.3,18.1,28,0,0,1,0,5,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"METHANESULFONIC ACID, LEAD(2+) SALT",017570-76-2,16213053,lead(2+);methanesulfonate,CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Pb+2],"InChI=1S/2CH4O3S.Pb/c2*1-5(2,3)4;/h2*1H3,(H,2,3,4);/q;;+2/p-2",LLABTCPIBSAMGS-UHFFFAOYSA-L,C2H6O6PbS2,397,397.93723,,131,79,0,0,6,0,11,,,0,0,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,0
BIS(DIMETHYLTHIOCARBAMOYL)SULFIDE,000097-74-5,7347,"dimethylcarbamothioyl N,N-dimethylcarbamodithioate",CN(C)C(=S)SC(=S)N(C)C,InChI=1S/C6H12N2S3/c1-7(2)5(9)11-6(10)8(3)4/h1-4H3,REQPQFUJGGOFQL-UHFFFAOYSA-N,C6H12N2S3,208.4,208.0162619,1.7,96,147,0,0,3,2,11,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
COPPER HYDROXIDE SULFATE (CU4(OH)6(SO4)),001333-22-8,15825719,tetracopper;hexahydroxide;sulfate,[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2],"InChI=1S/4Cu.H2O4S.6H2O/c;;;;1-5(2,3)4;;;;;;/h;;;;(H2,1,2,3,4);6*1H2/q4*+2;;;;;;;/p-8",LITQZINTSYBKIU-UHFFFAOYSA-F,Cu4H6O10S,452.29,451.68475,,94.6,62,0,6,10,0,15,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DISULFIRAM,000097-77-8,3117,"diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate",CCN(CC)C(=S)SSC(=S)N(CC)CC,"InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3",AUZONCFQVSMFAP-UHFFFAOYSA-N,C10H20N2S4,296.5,296.0509333,3.9,121,201,0,0,4,7,16,,"243 °F at 17 mmHg (NTP, 1992)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
NICKEL SULFAMATE,013770-89-3,83720,nickel(2+) disulfamate,NS(=O)(=O)[O-].NS(=O)(=O)[O-].[Ni+2],"InChI=1S/2H3NO3S.Ni/c2*1-5(2,3)4;/h2*(H3,1,2,3,4);/q;;+2/p-2",KERTUBUCQCSNJU-UHFFFAOYSA-L,H4N2NiO6S2,250.87,249.88642,,183,79,0,2,8,0,11,,,1,0,0,1,0,1,1,0,0,0,1,0,0,1,1,0,0,1,1,0
HEPTADECAFLUOROOCTANE-1-SULPHONIC ACID,001763-23-1,74483,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid",C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28)",YFSUTJLHUFNCNZ-UHFFFAOYSA-N,C8HF17O3S,500.13,499.9374938,5,62.8,727,0,1,20,7,29,11 °C - closed cup,249 °C,0,0,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
MANGANESE DIOXIDE,001313-13-9,14801,dioxomanganese,O=[Mn]=O,InChI=1S/Mn.2O,NUJOXMJBOLGQSY-UHFFFAOYSA-N,MnO2,86.937,86.927872,,34.1,18,0,0,2,0,3,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
THIRAM,000137-26-8,5455,"dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate",CN(C)C(=S)SSC(=S)N(C)C,InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3,KUAZQDVKQLNFPE-UHFFFAOYSA-N,C6H12N2S4,240.4,239.9883331,1.7,121,158,0,0,4,3,12,"280 °F (NTP, 1992)","264 °F at 20 mmHg (NTP, 1992)",1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,0
INDIUM METAL (SOLID),007440-74-6,5359967,indium,[In],InChI=1S/In,APFVFJFRJDLVQX-UHFFFAOYSA-N,In,114.818,114.9038788,,0,0,0,0,0,0,1,,"3767 °F at 760 mmHg (NIOSH, 2024)",0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"TRIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)YTTRIUM",015632-39-0,5829704,"tris((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);yttrium",CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.[Y],"InChI=1S/3C11H20O2.Y/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/b3*8-7-;",IAYLRLKRHZVTOP-LWTKGLMZSA-N,C33H60O6Y,641.7,641.344828,,112,801,0,3,6,9,40,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM PROPIONATE,000137-40-6,2723816,sodium propanoate,CCC(=O)[O-].[Na+],"InChI=1S/C3H6O2.Na/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1",JXKPEJDQGNYQSM-UHFFFAOYSA-M,C3H5NaO2,96.06,96.01872368,,40.1,44,0,0,2,1,6,>250 °C o.c.,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
3-CHLOROPROPIONIC ACID,000107-94-8,7899,3-chloropropanoic acid,C(CCl)C(=O)O,"InChI=1S/C3H5ClO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)",QEYMMOKECZBKAC-UHFFFAOYSA-N,C3H5ClO2,108.52,107.9978071,0.4,37.3,52,0,1,2,2,6,"greater than 230 °F (USCG, 1999)","392 °F at 760 mmHg (USCG, 1999)",0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0
DIBUTYLTIN MALEATE,000078-04-6,9906251,(Z)-but-2-enedioate;dibutyltin(2+),CCCC[Sn+2]CCCC.C(=C\C(=O)[O-])\C(=O)[O-],"InChI=1S/C4H4O4.2C4H9.Sn/c5-3(6)1-2-4(7)8;2*1-3-4-2;/h1-2H,(H,5,6)(H,7,8);2*1,3-4H2,2H3;/q;;;+2/p-2/b2-1-;;;",ZBBLRPRYYSJUCZ-GRHBHMESSA-L,C12H20O4Sn,346.99,348.038362,,80.3,146,0,0,4,4,17,,,0,0,1,1,0,0,0,1,0,0,1,0,0,1,0,0,1,0,1,0
DODECANETHIOL,000112-55-0,8195,dodecane-1-thiol,CCCCCCCCCCCCS,"InChI=1S/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3",WNAHIZMDSQCWRP-UHFFFAOYSA-N,C12H26S,202.4,202.175522,6.1,1,81,0,1,1,10,13,"190 °F (NTP, 1992)","511 to 541 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,0,1,1,0,0,0,0,0,0,1,0,1,1,0,1
PYROPHOSPHORIC ACID,002466-09-3,1023,phosphono dihydrogen phosphate,OP(=O)(O)OP(=O)(O)O,"InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)",XPPKVPWEQAFLFU-UHFFFAOYSA-N,H4O7P2,177.98,177.9432265,-3.2,124,147,0,4,7,2,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4,4-DIBUTYL-10-ETHYL-7-OXO-8-OXA-3,5-DITHIA-4-STANNATETRADECANOIC ACID, 2-ETHYLHEXYL ESTER",010584-98-2,9571022,2-ethylhexyl 2-[dibutyl-[2-(2-ethylhexoxy)-2-oxoethyl]sulfanylstannyl]sulfanylacetate,CCCCC(CC)COC(=O)CS[Sn](CCCC)(CCCC)SCC(=O)OCC(CC)CCCC,"InChI=1S/2C10H20O2S.2C4H9.Sn/c2*1-3-5-6-9(4-2)7-12-10(11)8-13;2*1-3-4-2;/h2*9,13H,3-8H2,1-2H3;2*1,3-4H2,2H3;/q;;;;+2/p-2",PRIUALOJYOZZOJ-UHFFFAOYSA-L,C28H56O4S2Sn,639.6,640.264205,,103,487,0,0,6,26,35,,,1,1,1,1,0,0,1,1,0,0,1,0,0,1,0,0,1,1,1,1
LAURYL DIMETHYLAMINE OXIDE,001643-20-5,15433,"N,N-dimethyldodecan-1-amine oxide",CCCCCCCCCCCC[N+](C)(C)[O-],"InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3",SYELZBGXAIXKHU-UHFFFAOYSA-N,C14H31NO,229.4,229.2405646,5.3,18.1,146,0,0,1,11,16,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-SULFO-.OMEGA.-(DODECYLOXY)-, SODIUM SALT",009004-82-4,23665884,sodium 2-dodecoxyethyl sulfate,CCCCCCCCCCCCOCCOS(=O)(=O)[O-].[Na+],"InChI=1S/C14H30O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;/h2-14H2,1H3,(H,15,16,17);/q;+1/p-1",ASEFUFIKYOCPIJ-UHFFFAOYSA-M,C14H29NaO5S,332.43,332.1633395,,84,290,0,0,5,15,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANAMINE, N,N-DIETHYL-, PHOSPHATE",010138-93-9,61946,"N,N-diethylethanamine;phosphoric acid",CCN(CC)CC.OP(=O)(O)O,"InChI=1S/C6H15N.H3O4P/c1-4-7(5-2)6-3;1-5(2,3)4/h4-6H2,1-3H3;(H3,1,2,3,4)",UNXNGGMLCSMSLH-UHFFFAOYSA-N,C6H18NO4P,199.19,199.0973451,,81,75,0,3,5,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9-OCTADECEN-1-AMINE, N-9-OCTADECENYL-, (Z,Z)-",040165-68-2,11214516,(Z)-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine,CCCCCCCC/C=C\CCCCCCCCNCCCCCCCC/C=C\CCCCCCCC,"InChI=1S/C36H71N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3/b19-17-,20-18-",JTQQDDNCCLCMER-CLFAGFIQSA-N,C36H71N,518,517.5586513,15.6,12,398,0,1,1,32,37,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-SULFO-.OMEGA.-(DODECYLOXY)-, POTASSIUM SALT",050602-06-7,24761,2-dodecoxyethyl hydrogen sulfate,CCCCCCCCCCCCOCCOS(=O)(=O)O,"InChI=1S/C14H30O5S/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17/h2-14H2,1H3,(H,15,16,17)",QTDIEDOANJISNP-UHFFFAOYSA-N,C14H30O5S,310.45,310.1813952,4.6,81.2,284,0,1,5,15,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"GLYCINE, N-(HYDROXYMETHYL)-, MONOSODIUM SALT",070161-44-3,23664641,sodium 2-(hydroxymethylamino)acetate,C(C(=O)[O-])NCO.[Na+],"InChI=1S/C3H7NO3.Na/c5-2-4-1-3(6)7;/h4-5H,1-2H2,(H,6,7);/q;+1/p-1",CITBNDNUEPMTFC-UHFFFAOYSA-M,C3H6NNaO3,127.07,127.0245373,,72.4,67,0,2,4,3,8,,,0,0,1,1,0,1,0,1,0,0,1,0,0,0,0,0,1,1,0,1
FUMARIC ACID DISODIUM,017013-01-3,6364607,disodium;(E)-but-2-enedioate,C(=C/C(=O)[O-])\C(=O)[O-].[Na+].[Na+],"InChI=1S/C4H4O4.2Na/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);;/q;2*+1/p-2/b2-1+;;",MSJMDZAOKORVFC-SEPHDYHBSA-L,C4H2Na2O4,160.04,159.9748471,,80.3,108,0,0,4,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
COPPER OLEATE,001120-44-1,6436661,copper bis((Z)-octadec-9-enoate),CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Cu+2],"InChI=1S/2C18H34O2.Cu/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2/b2*10-9-;",SVOAENZIOKPANY-CVBJKYQLSA-L,C36H66CuO4,626.5,625.425708,,80.3,228,0,0,4,28,41,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"FORMIC ACID, COPPER(2+) SALT",000544-19-4,10999,copper diformate,C(=O)[O-].C(=O)[O-].[Cu+2],"InChI=1S/2CH2O2.Cu/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2",HFDWIMBEIXDNQS-UHFFFAOYSA-L,C2H2CuO4,153.58,152.924906,,80.3,7,0,0,4,0,7,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CALCIUM OXIDE,001305-78-8,14778,oxocalcium,O=[Ca],InChI=1S/Ca.O,ODINCKMPIJJUCX-UHFFFAOYSA-N,CaO,56.08,55.9575055,,17.1,2,0,0,1,0,2,Not flammable,"5162 °F at 760 mmHg (NIOSH, 2024)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYLENE GLYCOL,000107-21-1,174,"ethane-1,2-diol",C(CO)O,"InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2",LYCAIKOWRPUZTN-UHFFFAOYSA-N,C2H6O2,62.07,62.03677943,-1.4,40.5,6,0,2,2,1,4,"232 °F (NTP, 1992)","387.7 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ANTIMONY PENTAFLUORIDE,007783-70-2,24557,pentafluoro-lambda5-stibane,F[Sb](F)(F)(F)F,InChI=1S/5FH.Sb/h5*1H;/q;;;;;+5/p-5,VBVBHWZYQGJZLR-UHFFFAOYSA-I,F5Sb,216.752,215.89583,,0,37,0,0,5,0,6,,"286 °F at 760 mmHg (EPA, 1998)",0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
MALEIC ACID,000110-16-7,444266,(Z)-but-2-enedioic acid,C(=C\C(=O)O)\C(=O)O,"InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-",VZCYOOQTPOCHFL-UPHRSURJSA-N,C4H4O4,116.07,116.0109586,-0.3,74.6,119,0,2,4,2,8,127 °C,"275 °F at 760 mmHg (decomposes) (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"SODIUM METABISULFITE, ANHYDROUS",007681-57-4,656671,,[O-]S(=O)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/2Na.H2O5S2/c;;1-6(2)7(3,4)5/h;;(H,1,2)(H,3,4,5)/q2*+1;/p-2",HRZFUMHJMZEROT-UHFFFAOYSA-L,Na2O5S2,190.11,189.898254,,125,136,0,0,6,0,9,,"Decomposes (NIOSH, 2024)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ZINC CHROMATE,013530-65-9,26089,zinc dioxido(dioxo)chromium,[O-][Cr](=O)(=O)[O-].[Zn+2],InChI=1S/Cr.4O.Zn/q;;;2*-1;+2,NDKWCCLKSWNDBG-UHFFFAOYSA-N,CrO4Zn,181.4,179.849305,,80.3,62,0,0,4,0,6,,,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
CHROMIUM(III) OXIDE,001308-38-9,517277,oxo(oxochromiooxy)chromium,O=[Cr]O[Cr]=O,InChI=1S/2Cr.3O,QDOXWKRWXJOMAK-UHFFFAOYSA-N,Cr2O3,151.99,151.865753,,43.4,34,0,0,3,0,5,,4000 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,1,0,0
INDIUM (I) IODIDE,013966-94-4,83539,triiodoindigane,[In](I)(I)I,InChI=1S/3HI.In/h3*1H;/q;;;+3/p-3,RMUKCGUDVKEQPL-UHFFFAOYSA-K,I3In,495.531,495.6173,,0,8,0,0,0,0,4,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"(Z)-2-BUTENEDIOIC ACID, DIMETHYL ESTER",000624-48-6,5271565,dimethyl (Z)-but-2-enedioate,COC(=O)/C=C\C(=O)OC,"InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3-",LDCRTTXIJACKKU-ARJAWSKDSA-N,C6H8O4,144.12,144.0422587,0.7,52.6,141,0,0,4,4,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"1-DODECANAMINIUM, N-(CARBOXYMETHYL)-N,N-DIMETHYL-, INNER SALT",000683-10-3,4292413,2-[dodecyl(dimethyl)azaniumyl]acetate,CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-],"InChI=1S/C16H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16(18)19/h4-15H2,1-3H3",DVEKCXOJTLDBFE-UHFFFAOYSA-N,C16H33NO2,271.44,271.2511293,6.1,40.1,221,0,0,2,12,19,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
CHROMIUM LEAD SILICATE (CRVI),011113-70-5,22833311,,[O-][Si](=O)[O-].[O-][Cr](=O)(=O)[O-].[Pb],InChI=1S/Cr.O3Si.4O.Pb/c;1-4(2)3;;;;;/q;-2;;;2*-1;,WTSIMEJHDNSMGE-UHFFFAOYSA-N,CrO7PbSi-4,399,399.85849,,143,81,-4,0,7,0,10,,,1,0,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,1,1,0
"2-ETHYLHEXANOIC ACID, COBALT SALT",013586-82-8,61648,cobalt(2+);2-ethylhexanoate,CCCCC(CC)C(=O)[O-].[Co+2],"InChI=1S/C8H16O2.Co/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+2/p-1",RLGHSHOBCCXNGA-UHFFFAOYSA-M,C8H15CoO2+,202.14,202.040398,,40.1,93,1,0,2,4,11,,,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,1,0,0
"Stannane, bis(isooctyloxycarbonylmethylthio)dioctyl-",026401-97-8,14029260,6-methylheptyl 2-[[2-(6-methylheptoxy)-2-oxoethyl]sulfanyl-dioctylstannyl]sulfanylacetate,CCCCCCCC[Sn](CCCCCCCC)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C,"InChI=1S/2C10H20O2S.2C8H17.Sn/c2*1-9(2)6-4-3-5-7-12-10(11)8-13;2*1-3-5-7-8-6-4-2;/h2*9,13H,3-8H2,1-2H3;2*1,3-8H2,2H3;/q;;;;+2/p-2",HLRRSFOQAFMOTJ-UHFFFAOYSA-L,C36H72O4S2Sn,751.8,752.389406,,103,591,0,0,6,34,43,"greater than 200 °F (NTP, 1992)",,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,1,1,0
VANADIUM HYDROXIDE OXIDE PHOSPHATE,065232-89-5,6455080,pentakis(oxygen(2-));hexakis(vanadium);pentahydroxide;pentaphosphate,[OH-].[OH-].[OH-].[OH-].[OH-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[V].[V].[V].[V].[V].[V],"InChI=1S/5H3O4P.5H2O.5O.6V/c5*1-5(2,3)4;;;;;;;;;;;;;;;;/h5*(H3,1,2,3,4);5*1H2;;;;;;;;;;;/q;;;;;;;;;;5*-2;;;;;;/p-20",DZHUTCDIQDURCC-UHFFFAOYSA-A,H5O30P5V6-30,945.54,945.41912,,441,36,-30,5,30,0,41,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
(CARBONATO(2-))TETRAHYDROXYTRINICKEL TETRAHYDRATE,039430-27-8,76955832,tris(nickel(2+));carbonate;tetrahydroxide;tetrahydrate,C(=O)([O-])[O-].O.O.O.O.[OH-].[OH-].[OH-].[OH-].[Ni+2].[Ni+2].[Ni+2],"InChI=1S/CH2O3.3Ni.8H2O/c2-1(3)4;;;;;;;;;;;/h(H2,2,3,4);;;;8*1H2/q;3*+2;;;;;;;;/p-6",JWFGIQXZIKKLFA-UHFFFAOYSA-H,CH12Ni3O11,376.18,375.83943,,71.2,18,0,8,11,0,15,,,1,0,1,1,0,1,1,0,0,0,1,0,0,1,1,0,1,1,1,0
LITHIUM BROMIDE,007550-35-8,82050,lithium bromide,[Li+].[Br-],InChI=1S/BrH.Li/h1H;/q;+1/p-1,AMXOYNBUYSYVKV-UHFFFAOYSA-M,BrLi,86.9,85.93434,,0,2,0,0,1,0,2,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
2-MERCAPTOETHYLAMINE,000060-23-1,6058,2-aminoethanethiol,C(CS)N,"InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2",UFULAYFCSOUIOV-UHFFFAOYSA-N,C2H7NS,77.15,77.0299204,-0.4,27,10,0,2,2,1,4,,133.6±23.0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ZINC DIETHYLDITHIOCARBAMATE,014324-55-1,26633,"zinc bis(N,N-diethylcarbamodithioate)",CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Zn+2],"InChI=1S/2C5H11NS2.Zn/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2",RKQOSDAEEGPRER-UHFFFAOYSA-L,C10H20N2S4Zn,361.9,359.980075,,72.7,73,0,0,4,4,17,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"2-OCTYNOIC ACID, METHYL ESTER",000111-12-6,8092,methyl oct-2-ynoate,CCCCCC#CC(=O)OC,"InChI=1S/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h3-6H2,1-2H3",FRLZQXRXIKQFNS-UHFFFAOYSA-N,C9H14O2,154.21,154.0993797,3.2,26.3,170,0,0,2,4,11,,217.00 to 220.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-NONYNOIC ACID, METHYL ESTER",000111-80-8,8137,methyl non-2-ynoate,CCCCCCC#CC(=O)OC,"InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-7H2,1-2H3",NTLJTUMJJWVCTL-UHFFFAOYSA-N,C10H16O2,168.23,168.1150297,3.7,26.3,183,0,0,2,5,12,,121.00 to 122.00 °C. @ 20.00 mm Hg,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
1-OCTEN-3-OL,003391-86-4,18827,oct-1-en-3-ol,CCCCCC(C=C)O,"InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3",VSMOENVRRABVKN-UHFFFAOYSA-N,C8H16O,128.21,128.1201151,2.6,20.2,69,0,1,1,5,9,,84.00 to 85.00 °C. @ 25.00 mm Hg,1,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
COPPER CHLORIDE,007758-89-6,62652,chlorocopper,Cl[Cu],InChI=1S/ClH.Cu/h1H;/q;+1/p-1,OXBLHERUFWYNTN-UHFFFAOYSA-M,ClCu,99,97.89845,,0,2,0,0,0,0,2,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-(DIMETHYLAMINO)ETHYL METHACRYLATE,002867-47-2,17869,2-(dimethylamino)ethyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCN(C)C,"InChI=1S/C8H15NO2/c1-7(2)8(10)11-6-5-9(3)4/h1,5-6H2,2-4H3",JKNCOURZONDCGV-UHFFFAOYSA-N,C8H15NO2,157.21,157.1102787,1.2,29.5,152,0,0,3,5,11,"165 °F (NFPA, 2010)",186 °C,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
DIETHANOLAMINE,000111-42-2,8113,2-(2-hydroxyethylamino)ethanol,C(CO)NCCO,"InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2",ZBCBWPMODOFKDW-UHFFFAOYSA-N,C4H11NO2,105.14,105.0789786,-1.4,52.5,28,0,3,3,4,7,"279 °F (NTP, 1992)","516.4 °F at 760 mmHg (Decomposes) (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,0
TETRABUTYLPHOSPHONIUM BROMIDE,003115-68-2,76564,tetrabutylphosphanium bromide,CCCC[P+](CCCC)(CCCC)CCCC.[Br-],"InChI=1S/C16H36P.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1",RKHXQBLJXBGEKF-UHFFFAOYSA-M,C16H36BrP,339.33,338.1738,,0,116,0,0,1,12,18,,,0,1,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,1,0,1
COPPER(I) OXIDE,001317-39-1,18346908,copper;oxocopper,O=[Cu].[Cu],InChI=1S/2Cu.O,BERDEBHAJNAUOM-UHFFFAOYSA-N,Cu2O,143.09,141.854109,,17.1,2,0,0,1,0,3,,Decomp at 1800 °C,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM CARBONATE,000584-08-7,11430,dipotassium;carbonate,C(=O)([O-])[O-].[K+].[K+],"InChI=1S/CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",BWHMMNNQKKPAPP-UHFFFAOYSA-L,CK2O3,138.205,137.9121568,,63.2,18,0,0,3,0,6,,Decomposes,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MALONIC ACID,000141-82-2,867,propanedioic acid,C(C(=O)O)C(=O)O,"InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)",OFOBLEOULBTSOW-UHFFFAOYSA-N,C3H4O4,104.06,104.0109586,-0.8,74.6,83,0,2,4,2,7,,"284 °F at 760 mmHg (decomposes) (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHYLENEDIAMINETETRAACETIC ACID, TETRASODIUM SALT",000064-02-8,6144,tetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate,C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C10H16N2O8.4Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;/q;4*+1/p-4",UEUXEKPTXMALOB-UHFFFAOYSA-J,C10H12N2Na4O8,380.17,380.0184425,,167,293,0,0,10,7,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
LITHIUM TETRAFLUOROBORATE,014283-07-9,4298216,lithium tetrafluoroborate,[Li+].[B-](F)(F)(F)F,"InChI=1S/BF4.Li/c2-1(3,4)5;/q-1;+1",UFXJWFBILHTTET-UHFFFAOYSA-N,BF4Li,93.8,94.0189212,,0,23,0,0,5,0,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"HEXAFLUOROSILICATE(2-), LEAD(2+) (1:1)",025808-74-6,11966241,hexafluorosilicon(2-);lead(2+),F[Si-2](F)(F)(F)(F)F.[Pb+2],"InChI=1S/F6Si.Pb/c1-7(2,3,4,5)6;/q-2;+2",AIEQFQFGMBAKSG-UHFFFAOYSA-N,F6PbSi,349,349.944,,0,62,0,0,7,0,8,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"1-BUTANAMINIUM, N,N-DIBUTYL-N-ETHYL-, ETHYL SULFATE",068052-51-7,106489,ethyl sulfate;tributyl(ethyl)azanium,CCCC[N+](CC)(CCCC)CCCC.CCOS(=O)(=O)[O-],"InChI=1S/C14H32N.C2H6O4S/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;1-2-6-7(3,4)5/h5-14H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",GELDODMEEMXBIV-UHFFFAOYSA-M,C16H37NO4S,339.5,339.2443298,,74.8,213,0,0,4,11,22,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM OXALATE,000062-76-0,6125,disodium;oxalate,C(=O)(C(=O)[O-])[O-].[Na+].[Na+],"InChI=1S/C2H2O4.2Na/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2",ZNCPFRVNHGOPAG-UHFFFAOYSA-L,C2Na2O4,134,133.959197,,80.3,60,0,0,4,0,8,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRAETHYLAMMONIUM TETRAFLUOROBORATE,000429-06-1,2724277,tetraethylazanium tetrafluoroborate,[B-](F)(F)(F)F.CC[N+](CC)(CC)CC,"InChI=1S/C8H20N.BF4/c1-5-9(6-2,7-3)8-4;2-1(3,4)5/h5-8H2,1-4H3;/q+1;-1",XJRAKUDXACGCHA-UHFFFAOYSA-N,C8H20BF4N,217.06,217.1624925,,0,66,0,0,5,4,14,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"OCTANOIC ACID, ZINC SALT",000557-09-5,11180,zinc bis(octanoate),CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Zn+2],"InChI=1S/2C8H16O2.Zn/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2",CHJMFFKHPHCQIJ-UHFFFAOYSA-L,C16H30O4Zn,351.8,350.143551,,80.3,83,0,0,4,10,21,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
POLYETHYLENE GLYCOL (5) UNDECYL ETHER,034398-01-1,61930,2-undecoxyethanol,CCCCCCCCCCCOCCO,"InChI=1S/C13H28O2/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14/h14H,2-13H2,1H3",KLMGMPDXSPSCOC-UHFFFAOYSA-N,C13H28O2,216.36,216.2089301,4.6,29.5,105,0,1,2,12,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM IODIDE,007681-11-0,4875,potassium iodide,[K+].[I-],InChI=1S/HI.K/h1H;/q;+1/p-1,NLKNQRATVPKPDG-UHFFFAOYSA-M,IK,166.0028,165.86818,,0,2,0,0,1,0,2,,"Very high (USCG, 1999)",0,0,0,1,0,0,1,1,0,0,0,0,0,0,1,0,1,1,1,0
SODIUM BISULFITE,007631-90-5,23665763,sodium hydrogen sulfite,OS(=O)[O-].[Na+],"InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1",DWAQJAXMDSEUJJ-UHFFFAOYSA-M,HNaO3S,104.06,103.9544094,,79.6,33,0,1,4,0,5,,"Decomposes (NIOSH, 2024)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRAETHYLAMMONIUM BROMIDE,000071-91-0,6285,tetraethylazanium bromide,CC[N+](CC)(CC)CC.[Br-],"InChI=1S/C8H20N.BrH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1",HWCKGOZZJDHMNC-UHFFFAOYSA-M,C8H20BrN,210.16,209.07791,,0,47,0,0,1,4,10,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM HEXAFLUOROANTIMONATE,016925-25-0,16689647,sodium hexafluoroantimony(1-),F[Sb-](F)(F)(F)(F)F.[Na+],InChI=1S/6FH.Na.Sb/h6*1H;;/q;;;;;;+1;+5/p-6,HKLMYZVMEYYVBS-UHFFFAOYSA-H,F6NaSb,258.74,257.884,,0,62,0,0,7,0,8,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHORIC ACID, COBALT(2+) SALT (2:3)",013455-36-2,61615,tris(cobalt(2+)) diphosphate,[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Co+2].[Co+2].[Co+2],"InChI=1S/3Co.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6",ZBDSFTZNNQNSQM-UHFFFAOYSA-H,Co3O8P2,366.74,366.70642,,173,36,0,0,8,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"PHOSPHORIC ACID, AMMONIUM COBALT(2+) SALT (1:1:1)",014590-13-7,167120,azanium;cobalt(2+);phosphate,[NH4+].[O-]P(=O)([O-])[O-].[Co+2],"InChI=1S/Co.H3N.H3O4P/c;;1-5(2,3)4/h;1H3;(H3,1,2,3,4)/q+2;;/p-2",FCXHHGTWMFGYPP-UHFFFAOYSA-L,CoH4NO4P,171.943,171.920988,,87.3,36,0,1,4,0,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
LEAD TIN OXIDE (PBSNO3),012036-31-6,166014,lead(2+);tris(oxygen(2-));tin(4+),[O-2].[O-2].[O-2].[Sn+4].[Pb+2],InChI=1S/3O.Pb.Sn/q3*-2;+2;+4,MLOKPANHZRKTMG-UHFFFAOYSA-N,O3PbSn,374,375.8636,,3,0,0,0,3,0,5,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"1,1,2,2-TETRACHLORO-1,2-DIFLUOROETHANE",000076-12-0,6427,"1,1,2,2-tetrachloro-1,2-difluoroethane",C(C(F)(Cl)Cl)(F)(Cl)Cl,"InChI=1S/C2Cl4F2/c3-1(4,7)2(5,6)8",UGCSPKPEHQEOSR-UHFFFAOYSA-N,C2Cl4F2,203.8,203.869267,3.4,0,78,0,0,2,1,8,,"199 °F at 760 mmHg (NIOSH, 2024)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CADMIUM HYDROXIDE,021041-95-2,10313210,cadmium(2+) dihydroxide,[OH-].[OH-].[Cd+2],InChI=1S/Cd.2H2O/h;2*1H2/q+2;;/p-2,PLLZRTNVEXYBNA-UHFFFAOYSA-L,CdH2O2,146.43,147.908844,,2,0,0,2,2,0,3,,,1,1,1,1,0,1,1,0,0,0,1,0,0,0,0,0,0,0,1,0
INDIUM(III) CHLORIDE,010025-82-8,24812,trichloroindigane,Cl[In](Cl)Cl,InChI=1S/3ClH.In/h3*1H;/q;;;+3/p-3,PSCMQHVBLHHWTO-UHFFFAOYSA-K,Cl3In,221.17,219.810437,,0,8,0,0,0,0,4,,Sublimes at 5 °C,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"5,7,12-TRIOXA-6-STANNAHEXADECA-2,9-DIENOIC ACID, 6,6-DIBUTYL-4,8,11-TRIOXO-, B",015546-16-4,16683075,4-O-[[(Z)-4-butoxy-4-oxobut-2-enoyl]oxy-dibutylstannyl] 1-O-butyl (Z)-but-2-enedioate,CCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCC)(CCCC)CCCC,"InChI=1S/2C8H12O4.2C4H9.Sn/c2*1-2-3-6-12-8(11)5-4-7(9)10;2*1-3-4-2;/h2*4-5H,2-3,6H2,1H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*5-4-;;;",OZDOQMMXEACZAA-NRFIWDAESA-L,C24H40O8Sn,575.3,576.174521,,105,601,0,0,8,22,33,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,1,0
"5,7,12-TRIOXA-6-STANNAOCTADECA-2,9-DIENOIC ACID, 6,6-DIBUTYL-14-ETHYL-4,8,11-T",015546-12-0,16683074,4-O-[dibutyl-[(Z)-4-(2-ethylhexoxy)-4-oxobut-2-enoyl]oxystannyl] 1-O-(2-ethylhexyl) (Z)-but-2-enedioate,CCCCC(COC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OCC(CCCC)CC)(CCCC)CCCC)CC,"InChI=1S/2C12H20O4.2C4H9.Sn/c2*1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14;2*1-3-4-2;/h2*7-8,10H,3-6,9H2,1-2H3,(H,13,14);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*8-7-;;;",NBZNVCBJBGDRJI-KKUWAICFSA-L,C32H56O8Sn,687.5,688.299721,,105,742,0,0,8,28,41,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
N-NITROSODI-N-PROPYLAMINE,000621-64-7,12130,"N,N-dipropylnitrous amide",CCCN(CCC)N=O,"InChI=1S/C6H14N2O/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3",YLKFDHTUAUWZPQ-UHFFFAOYSA-N,C6H14N2O,130.19,130.1106131,1.4,32.7,69,0,0,3,4,9,,"403 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"DIETHYL-CARBAMODITHIOIC ACID, 2-CHLORO-2-PROPENYL ESTER",000095-06-7,7216,"2-chloroprop-2-enyl N,N-diethylcarbamodithioate",CCN(CC)C(=S)SCC(=C)Cl,"InChI=1S/C8H14ClNS2/c1-4-10(5-2)8(11)12-6-7(3)9/h3-6H2,1-2H3",XJCLWVXTCRQIDI-UHFFFAOYSA-N,C8H14ClNS2,223.8,223.0256195,3.1,60.6,166,0,0,2,5,12,"greater than 200 °F (NTP, 1992)","262 to 266 °F at 1 mmHg (NTP, 1992)",1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
LEAD STEARATE,001072-35-1,61258,lead(2+);bis(octadecanoate),CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Pb+2],"InChI=1S/2C18H36O2.Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",UQLDLKMNUJERMK-UHFFFAOYSA-L,C36H70O4Pb,774,774.50406,,80.3,196,0,0,4,30,41,"greater than 450 °F (USCG, 1999)",,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"BORIC ACID (HBO2), LEAD(2+) SALT",014720-53-7,61766,lead(2+);oxido(oxo)borane,B(=O)[O-].B(=O)[O-].[Pb+2],InChI=1S/2BO2.Pb/c2*2-1-3;/q2*-1;+2,ZPPSOOVFTBGHBI-UHFFFAOYSA-N,B2O4Pb,293,293.97492,,80.3,7,0,0,4,0,7,,,0,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
LEAD STEARATE,056189-09-4,5362548,,CCCCCCCCCCCCCCCCCC(=O)[O-].[Pb],"InChI=1S/C18H36O2.Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/p-1",ONUFRYFLRFLSOM-UHFFFAOYSA-M,C18H35O2Pb-,491,491.24036,,40.1,196,-1,0,2,15,21,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
BROMODICHLOROACETIC ACID,071133-14-7,114809,"2-bromo-2,2-dichloroacetic acid",C(=O)(C(Cl)(Cl)Br)O,"InChI=1S/C2HBrCl2O2/c3-2(4,5)1(6)7/h(H,6,7)",XSWVFEQKZFUULO-UHFFFAOYSA-N,C2HBrCl2O2,207.83,205.8537,1.8,37.3,91,0,1,2,1,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
LEAD OXIDE SULFATE,012765-51-4,6336550,,O.OS(=O)(=O)O.[Pb],"InChI=1S/H2O4S.H2O.Pb/c1-5(2,3)4;;/h(H2,1,2,3,4);1H2;",AWTSMFNITNKUQL-UHFFFAOYSA-N,H4O5PbS,323,323.9546,,84,81,0,3,5,0,7,,,1,0,1,1,0,1,1,0,0,0,1,0,0,1,0,0,0,0,1,0
N-NITROSODI-N-BUTYLAMINE,000924-16-3,13542,"N,N-dibutylnitrous amide",CCCCN(CCCC)N=O,"InChI=1S/C8H18N2O/c1-3-5-7-10(9-11)8-6-4-2/h3-8H2,1-2H3",YGJHZCLPZAZIHH-UHFFFAOYSA-N,C8H18N2O,158.24,158.1419132,2.6,32.7,88,0,0,3,6,11,,235 °C,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,3-DIBROMO-1-PROPANOL",000096-13-9,7281,"2,3-dibromopropan-1-ol",C(C(CBr)Br)O,"InChI=1S/C3H6Br2O/c4-1-3(5)2-6/h3,6H,1-2H2",QWVCIORZLNBIIC-UHFFFAOYSA-N,C3H6Br2O,217.89,217.87649,1.1,20.2,32,0,1,1,2,6,"greater than 235 °F (NTP, 1992)","426 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
ANTIMONY TRISULFIDE,001345-04-6,16685273,sulfanylidene(sulfanylidenestibanylsulfanyl)stibane,S=[Sb]S[Sb]=S,InChI=1S/3S.2Sb,IHBMMJGTJFPEQY-UHFFFAOYSA-N,S3Sb2,339.7,339.72424,,89.5,34,0,0,3,0,5,,,0,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
COBALT SULFATE (ANHYDROUS),010124-43-3,24965,cobalt(2+) sulfate,[O-]S(=O)(=O)[O-].[Co+2],"InChI=1S/Co.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",KTVIXTQDYHMGHF-UHFFFAOYSA-L,CoO4S,155,154.884923,,88.6,62,0,0,4,0,6,,,1,0,0,1,0,1,1,0,0,0,1,0,0,1,1,0,0,1,0,0
COBALT(II) CHLORIDE,007646-79-9,3032536,cobalt(2+) dichloride,[Cl-].[Cl-].[Co+2],InChI=1S/2ClH.Co/h2*1H;/q;;+2/p-2,GVPFVAHMJGGAJG-UHFFFAOYSA-L,Cl2Co,129.84,128.870899,,0,0,0,0,2,0,3,,1049 °C,1,0,0,1,0,1,1,0,0,0,1,0,0,1,1,0,0,1,0,0
LEAD(II) IODIDE,010101-63-0,24931,diiodolead,I[Pb]I,InChI=1S/2HI.Pb/h2*1H;/q;;+2/p-2,RQQRAHKHDFPBMC-UHFFFAOYSA-L,I2Pb,461,461.7856,,0,2,0,0,0,0,3,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
NITRILOTRIACETIC ACID,000139-13-9,8758,2-[bis(carboxymethyl)amino]acetic acid,C(C(=O)O)N(CC(=O)O)CC(=O)O,"InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)",MGFYIUFZLHCRTH-UHFFFAOYSA-N,C6H9NO6,191.14,191.042987,-3.2,115,187,0,3,7,6,13,,"Solid decomposes (NTP, 1992)",0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"THIOUREA, TRIMETHYL-",002489-77-2,2779938,"1,1,3-trimethylthiourea",CNC(=S)N(C)C,"InChI=1S/C4H10N2S/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)",JAEZSIYNWDWMMN-UHFFFAOYSA-N,C4H10N2S,118.2,118.0564695,0.1,47.4,70,0,1,1,0,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PERFLUORO-N-OCTANOIC ACID,000335-67-1,9554,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid",C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)",SNGREZUHAYWORS-UHFFFAOYSA-N,C8HF15O2,414.07,413.9737017,4.9,37.3,530,0,1,17,6,25,,192 °C,0,0,1,1,0,1,0,1,0,0,0,0,0,1,0,0,0,0,1,0
PENTADECAFLUOROOCTANOIC ACID AMMONIUM SALT,003825-26-1,2776282,"azanium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate",C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-].[NH4+],"InChI=1S/C8HF15O2.H3N/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);1H3",YOALFLHFSFEMLP-UHFFFAOYSA-N,C8H4F15NO2,431.1,431.0002508,,41.1,525,0,1,17,5,26,,,0,0,1,1,0,1,0,1,0,0,0,0,0,1,0,0,0,0,1,0
LITHIUM CHLORIDE,007447-41-8,433294,lithium chloride,[Li+].[Cl-],InChI=1S/ClH.Li/h1H;/q;+1/p-1,KWGKDLIKAYFUFQ-UHFFFAOYSA-M,ClLi,42.4,41.9848561,,0,2,0,0,1,0,2,,"2417 to 2480 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MANGANESE(III) OXIDE,001317-34-6,14824,oxo(oxomanganiooxy)manganese,O=[Mn]O[Mn]=O,InChI=1S/2Mn.3O,GEYXPJBPASPPLI-UHFFFAOYSA-N,Mn2O3,157.874,157.86083,,43.4,34,0,0,3,0,5,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NICKEL SULFATE,007786-81-4,24586,nickel(2+) sulfate,[O-]S(=O)(=O)[O-].[Ni+2],"InChI=1S/Ni.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",LGQLOGILCSXPEA-UHFFFAOYSA-L,NiO4S,154.76,153.887071,,88.6,62,0,0,4,0,6,,"Decomposes (NTP, 1992)",1,0,1,1,0,1,1,0,0,0,1,0,0,1,1,0,1,1,1,0
LITHIUM METABORATE,013453-69-5,123308,lithium oxido(oxo)borane,[Li+].B(=O)[O-],InChI=1S/BO2.Li/c2-1-3;/q-1;+1,HZRMTWQRDMYLNW-UHFFFAOYSA-N,BLiO2,49.8,50.0151378,,40.1,13,0,0,2,0,4,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
BORON STRONTIUM OXIDE (B4SRO7),012007-66-8,6336860,,[B].[O-2].[Sr+2],InChI=1S/B.O.Sr/q;-2;+2,QZRNTVPRGQDWRA-UHFFFAOYSA-N,BOSr,114.43,114.909832,,1,0,0,0,1,0,3,,,0,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"BORIC ACID (H3BO3), COMPD. WITH 1-AMINO-2-PROPANOL",026038-90-4,161513,1-aminopropan-2-ol;boric acid,B(O)(O)O.CC(CN)O,"InChI=1S/C3H9NO.BH3O3/c1-3(5)2-4;2-1(3)4/h3,5H,2,4H2,1H3;2-4H",FWGLAJMZAXEFTA-UHFFFAOYSA-N,C3H12BNO4,136.95,137.085938,,107,30,0,5,5,1,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BORIC ACID (H3BO3), ZINC SALT (2:3)",010192-46-8,159268,boric acid;zinc,B(O)(O)O.B(O)(O)O.B(O)(O)O.[Zn].[Zn],InChI=1S/3BH3O3.2Zn/c3*2-1(3)4;;/h3*2-4H;;,NQRYWXBQCVKRRU-UHFFFAOYSA-N,B3H9O9Zn2,316.3,315.90775,,182,8,0,9,9,0,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
CESIUM HYDROXIDE,021351-79-1,62750,cesium hydroxide,[OH-].[Cs+],InChI=1S/Cs.H2O/h;1H2/q+1;/p-1,HUCVOHYBFXVBRW-UHFFFAOYSA-M,CsHO,149.913,149.9081916,,1,2,0,1,1,0,2,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,0
GLYCOL ETHER,,8117,2-(2-hydroxyethoxy)ethanol,C(COCCO)O,"InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2",MTHSVFCYNBDYFN-UHFFFAOYSA-N,C4H10O3,106.12,106.0629942,-1.3,49.7,26,0,2,3,4,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,2-DIOXASTANNEPIN-4,7-DIONE, 2,2-DIOCTYL-",016091-18-2,86748249,(Z)-but-2-enedioate;dioctyltin(2+),CCCCCCCC[Sn+2]CCCCCCCC.C(=C\C(=O)[O-])\C(=O)[O-],"InChI=1S/2C8H17.C4H4O4.Sn/c2*1-3-5-7-8-6-4-2;5-3(6)1-2-4(7)8;/h2*1,3-8H2,2H3;1-2H,(H,5,6)(H,7,8);/q;;;+2/p-2/b;;2-1-;",PZGVVCOOWYSSGB-KWZUVTIDSA-L,C20H36O4Sn,459.2,460.163562,,80.3,217,0,0,4,12,25,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"STANNANE, BIS(DODECYLTHIO)DIOCTYL-",022205-30-7,9576071,bis(dodecylsulfanyl)-dioctylstannane,CCCCCCCCCCCCS[Sn](CCCCCCCC)(CCCCCCCC)SCCCCCCCCCCCC,"InChI=1S/2C12H26S.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13;2*1-3-5-7-8-6-4-2;/h2*13H,2-12H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2",ZLQKLRJBHMDQPD-UHFFFAOYSA-L,C40H84S2Sn,747.9,748.503648,,50.6,453,0,0,2,38,43,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,1,1,0
TIN(II) OXIDE,021651-19-4,88989,oxotin,O=[Sn],InChI=1S/O.Sn,QHGNHLZPVBIIPX-UHFFFAOYSA-N,OSn,134.71,135.897117,,17.1,2,0,0,1,0,2,,"Decomposes (NIOSH, 2024)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0
MANGANESE (II) OXALATE DIHYDRATE,006556-16-7,69499,manganese(2+);oxalate,C(=O)(C(=O)[O-])[O-].[Mn+2],"InChI=1S/C2H2O4.Mn/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",RGVLTEMOWXGQOS-UHFFFAOYSA-L,C2MnO4,142.96,142.917702,,80.3,60,0,0,4,0,7,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-OCTADECANAMINE, N,N-DIMETHYL-, N-OXIDE",002571-88-2,17388,"N,N-dimethyloctadecan-1-amine oxide",CCCCCCCCCCCCCCCCCC[N+](C)(C)[O-],"InChI=1S/C20H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)22/h4-20H2,1-3H3",UTTVXKGNTWZECK-UHFFFAOYSA-N,C20H43NO,313.6,313.334465,8.5,18.1,216,0,0,1,17,22,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
IODOFORM,000075-47-8,6374,iodoform,C(I)(I)I,InChI=1S/CHI3/c2-1(3)4/h1H,OKJPEAGHQZHRQV-UHFFFAOYSA-N,CHI3,393.732,393.7212,2.7,0,8,0,0,0,0,4,,"424 °F at 760 mmHg (Sublimes) (NTP, 1992)",0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CHLOROCHOLINE CHLORIDE,000999-81-5,13836,2-chloroethyl(trimethyl)azanium chloride,C[N+](C)(C)CCCl.[Cl-],"InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1",UHZZMRAGKVHANO-UHFFFAOYSA-M,C5H13Cl2N,158.07,157.0425048,,0,46,0,0,1,2,8,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACEPHATE (ACETYLPHOSPHORAMIDOTHIOIC ACID O,S-DIMETHYL ESTER)",030560-19-1,1982,N-[methoxy(methylsulfanyl)phosphoryl]acetamide,CC(=O)NP(=O)(OC)SC,"InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)",YASYVMFAVPKPKE-UHFFFAOYSA-N,C4H10NO3PS,183.17,183.0119014,-0.8,80.7,172,0,1,4,3,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIBUTYLAMINE,000102-82-9,7622,"N,N-dibutylbutan-1-amine",CCCCN(CCCC)CCCC,"InChI=1S/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3",IMFACGCPASFAPR-UHFFFAOYSA-N,C12H27N,185.35,185.2143499,4,3.2,72,0,0,1,9,13,"185 °F (NTP, 1992)","415 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
CHLOROFORM,000067-66-3,6212,chloroform,C(Cl)(Cl)Cl,InChI=1S/CHCl3/c2-1(3)4/h1H,HEDRZPFGACZZDS-UHFFFAOYSA-N,CHCl3,119.37,117.914383,2.3,0,8,0,0,0,0,4,"None (EPA, 1998)","143 °F at 760 mmHg (EPA, 1998)",0,0,1,1,0,1,0,1,0,0,0,0,0,1,0,0,1,0,1,0
AMMONIUM CHLORIDE,012125-02-9,25517,azanium chloride,[NH4+].[Cl-],InChI=1S/ClH.H3N/h1H;1H3,NLXLAEXVIDQMFP-UHFFFAOYSA-N,ClH4N,53.49,53.0032268,,1,0,0,1,1,0,2,,"Sublimes (NIOSH, 2024)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
AMMONIUM SULFATE,007783-20-2,6097028,diazanium;sulfate,[NH4+].[NH4+].[O-]S(=O)(=O)[O-],"InChI=1S/2H3N.H2O4S/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4)",BFNBIHQBYMNNAN-UHFFFAOYSA-N,H8N2O4S,132.14,132.0204779,,90.6,62,0,2,4,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-METHYLAMINOETHANOL,000109-83-1,8016,2-(methylamino)ethanol,CNCCO,"InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3",OPKOKAMJFNKNAS-UHFFFAOYSA-N,C3H9NO,75.11,75.06841391,-0.9,32.3,16,0,2,2,2,5,"165 °F (NTP, 1992)","316 °F at 760 mmHg ; 147-149 °F at 12 mmHg; 126 °F at 6 mmHg (NTP, 1992)",0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ISOOCTYL ALCOHOL,026952-21-6,15450,6-methylheptan-1-ol,CC(C)CCCCCO,"InChI=1S/C8H18O/c1-8(2)6-4-3-5-7-9/h8-9H,3-7H2,1-2H3",BWDBEAQIHAEVLV-UHFFFAOYSA-N,C8H18O,130.23,130.1357652,2.8,20.2,50,0,1,1,5,9,"180 °F (USCG, 1999)","367 °F at 760 mmHg (USCG, 1999)",0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
MOLYBDENUM HYDROXIDE OXIDE PHOSPHATE,011104-88-4,159350,molybdenum;oxygen(2-);phosphorus(3-);hydroxide,[OH-].[O-2].[P-3].[Mo],InChI=1S/Mo.H2O.O.P/h;1H2;;/q;;-2;-3/p-1,FROPCQVXXZDEBU-UHFFFAOYSA-M,HMoO2P-6,159.93,161.87682,,2,0,-6,1,3,0,4,,,1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
TRIMETHYLSULFOXONIUM IODIDE,001774-47-6,74498,,C[S+](=O)(C)C.[I-],"InChI=1S/C3H9OS.HI/c1-5(2,3)4;/h1-3H3;1H/q+1;/p-1",BPLKQGGAXWRFOE-UHFFFAOYSA-M,C3H9IOS,220.07,219.94188,,18.1,53,0,0,2,0,6,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-TRIDECANOL, PHOSPHATE",056831-62-0,92542,phosphoric acid;tridecan-1-ol,CCCCCCCCCCCCCO.OP(=O)(O)O,"InChI=1S/C13H28O.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-5(2,3)4/h14H,2-13H2,1H3;(H3,1,2,3,4)",ZLVJMOQLHZWPOU-UHFFFAOYSA-N,C13H31O5P,298.36,298.1909111,,98,141,0,4,5,11,19,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
LAURYL BROMIDE,000143-15-7,8919,1-bromododecane,CCCCCCCCCCCCBr,"InChI=1S/C12H25Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3",PBLNBZIONSLZBU-UHFFFAOYSA-N,C12H25Br,249.23,248.11396,7.1,0,81,0,0,0,10,13,,,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
EICOSANE,000112-95-8,8222,icosane,CCCCCCCCCCCCCCCCCCCC,"InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3",CBFCDTFDPHXCNY-UHFFFAOYSA-N,C20H42,282.5,282.3286513,10.4,0,132,0,0,0,17,20,"212 °F (NTP, 1992)","648.9 °F at 760 mmHg (NTP, 1992)",0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
N-OCTADECANE,000593-45-3,11635,octadecane,CCCCCCCCCCCCCCCCCC,"InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3",RZJRJXONCZWCBN-UHFFFAOYSA-N,C18H38,254.5,254.2973512,9.3,0,112,0,0,0,15,18,"212 °F (NTP, 1992)","601 °F at 760 mmHg (NTP, 1992)",0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SQUALENE,000111-02-4,638072,"(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene",CC(=CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)C,"InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+",YYGNTYWPHWGJRM-AAJYLUCBSA-N,C30H50,410.7,410.3912516,11.6,0,578,0,0,0,15,30,"greater than 235 °F (NTP, 1992)","545 °F at 25 mmHg (NTP, 1992)",0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-OCTADECENE,000112-88-9,8217,octadec-1-ene,CCCCCCCCCCCCCCCCC=C,"InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3",CCCMONHAUSKTEQ-UHFFFAOYSA-N,C18H36,252.5,252.2817011,10,0,148,0,0,0,15,18,,,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIDECANE,000629-50-5,12388,tridecane,CCCCCCCCCCCCC,"InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3",IIYFAKIEWZDVMP-UHFFFAOYSA-N,C13H28,184.36,184.2191009,6.6,0,66,0,0,0,10,13,"175 °F (USCG, 1999)","455.7 °F at 760 mmHg (NTP, 1992)",0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRADECANE,000629-59-4,12389,tetradecane,CCCCCCCCCCCCCC,"InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3",BGHCVCJVXZWKCC-UHFFFAOYSA-N,C14H30,198.39,198.234751,7.2,0,74,0,0,0,11,14,"212 °F (NTP, 1992)","488.7 °F at 760 mmHg (NTP, 1992)",0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-EICOSENE,003452-07-1,18936,icos-1-ene,CCCCCCCCCCCCCCCCCCC=C,"InChI=1S/C20H40/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3H,1,4-20H2,2H3",VAMFXQBUQXONLZ-UHFFFAOYSA-N,C20H40,280.5,280.3130013,11.1,0,171,0,0,0,17,20,,,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
N-PENTACOSANE,000629-99-2,12406,pentacosane,CCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C25H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3",YKNWIILGEFFOPE-UHFFFAOYSA-N,C25H52,352.7,352.4069017,13.1,0,186,0,0,0,22,25,120 °C (248 °F) - closed cup,"755.4 °F at 760 mmHg (NTP, 1992)",0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
HEPTADECANE,000629-78-7,12398,heptadecane,CCCCCCCCCCCCCCCCC,"InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3",NDJKXXJCMXVBJW-UHFFFAOYSA-N,C17H36,240.5,240.2817011,8.8,0,103,0,0,0,14,17,149 °C (300 °F) - closed cup,"575.2 °F at 760 mmHg (NTP, 1992)",0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-TRIDECENE,002437-56-1,17095,tridec-1-ene,CCCCCCCCCCCC=C,"InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1,4-13H2,2H3",VQOXUMQBYILCKR-UHFFFAOYSA-N,C13H26,182.35,182.2034508,7.3,0,94,0,0,0,10,13,"175 °F (approx.) (USCG, 1999)","451 °F at 760 mmHg (USCG, 1999)",0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
1-TETRADECENE,001120-36-1,14260,tetradec-1-ene,CCCCCCCCCCCCC=C,"InChI=1S/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3H,1,4-14H2,2H3",HFDVRLIODXPAHB-UHFFFAOYSA-N,C14H28,196.37,196.2191009,7.9,0,105,0,0,0,11,14,"230 °F (USCG, 1999)","484 °F at 760 mmHg (USCG, 1999)",0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
1-HEXADECENE,000629-73-2,12395,hexadec-1-ene,CCCCCCCCCCCCCCC=C,"InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3",GQEZCXVZFLOKMC-UHFFFAOYSA-N,C16H32,224.42,224.250401,8.9,0,126,0,0,0,13,16,,284.4 °C @ 760 MM HG,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
9-OCTADECENE,005557-31-3,5364599,(E)-octadec-9-ene,CCCCCCCC/C=C/CCCCCCCC,"InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3/b18-17+",HSNQNPCNYIJJHT-ISLYRVAYSA-N,C18H36,252.5,252.2817011,9,0,139,0,0,0,14,18,,,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PENTYLENE GLYCOL,005343-92-0,93000,"pentane-1,2-diol",CCCC(CO)O,"InChI=1S/C5H12O2/c1-2-3-5(7)4-6/h5-7H,2-4H2,1H3",WCVRQHFDJLLWFE-UHFFFAOYSA-N,C5H12O2,104.15,104.0837296,0.2,40.5,37,0,2,2,3,7,,,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,6,10-DODECATETRAENE, 3,7,11-TRIMETHYL-, (E,E)-",000502-61-4,5281516,"(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene",CC(=CCC/C(=C/C/C=C(\C)/C=C)/C)C,"InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+",CXENHBSYCFFKJS-VDQVFBMKSA-N,C15H24,204.35,204.1878008,6.1,0,270,0,0,0,6,15,,260.00 to 262.00 °C. @ 760.00 mm Hg,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-HEXADECYNE,000629-74-3,12396,hexadec-1-yne,CCCCCCCCCCCCCCC#C,"InChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h1H,4-16H2,2H3",UCIDYSLOTJMRAM-UHFFFAOYSA-N,C16H30,222.41,222.234751,7.8,0,160,0,0,0,12,16,,,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-TETRADECYNE,000765-10-6,69823,tetradec-1-yne,CCCCCCCCCCCCC#C,"InChI=1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1H,4-14H2,2H3",DZEFNRWGWQDGTR-UHFFFAOYSA-N,C14H26,194.36,194.2034508,6.8,0,137,0,0,0,10,14,,,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-PENTADECYNE,000765-13-9,69825,pentadec-1-yne,CCCCCCCCCCCCCC#C,"InChI=1S/C15H28/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h1H,4-15H2,2H3",DONJGKADZJEXRJ-UHFFFAOYSA-N,C15H28,208.38,208.2191009,7.3,0,149,0,0,0,11,15,,,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DODECANE, 1-(METHYLTHIO)-",003698-89-3,77287,1-methylsulfanyldodecane,CCCCCCCCCCCCSC,"InChI=1S/C13H28S/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h3-13H2,1-2H3",KJWHJDGMOQJLGF-UHFFFAOYSA-N,C13H28S,216.43,216.1911721,6.5,25.3,91,0,0,1,11,14,,,1,0,0,0,1,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
1-HEPTADECENE,006765-39-5,23217,heptadec-1-ene,CCCCCCCCCCCCCCCC=C,"InChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3H,1,4-17H2,2H3",ADOBXTDBFNCOBN-UHFFFAOYSA-N,C17H34,238.5,238.2660511,9.5,0,137,0,0,0,14,17,,,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-TETRACOSENE,010192-32-2,82436,tetracos-1-ene,CCCCCCCCCCCCCCCCCCCCCCC=C,"InChI=1S/C24H48/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-24H2,2H3",ZDLBWMYNYNATIW-UHFFFAOYSA-N,C24H48,336.6,336.3756015,13.3,0,218,0,0,0,21,24,,,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-PENTADECENE,013360-61-7,25913,pentadec-1-ene,CCCCCCCCCCCCCC=C,"InChI=1S/C15H30/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3H,1,4-15H2,2H3",PJLHTVIBELQURV-UHFFFAOYSA-N,C15H30,210.4,210.234751,8.4,0,115,0,0,0,12,15,,,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NONANOIC ACID, 2,2-DIMETHYL-1,3-PROPANEDIYL ESTER",015834-05-6,85132,"(2,2-dimethyl-3-nonanoyloxypropyl) nonanoate",CCCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCCC,"InChI=1S/C23H44O4/c1-5-7-9-11-13-15-17-21(24)26-19-23(3,4)20-27-22(25)18-16-14-12-10-8-6-2/h5-20H2,1-4H3",AHSZBZTYLKTYJI-UHFFFAOYSA-N,C23H44O4,384.6,384.3239599,8.3,52.6,343,0,0,4,20,27,,,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,5-UNDECATRIENE",016356-11-9,61832,"undeca-1,3,5-triene",CCCCCC=CC=CC=C,"InChI=1S/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h3,5,7,9,11H,1,4,6,8,10H2,2H3",JQQDKNVOSLONRS-UHFFFAOYSA-N,C11H18,150.26,150.1408506,4.8,0,129,0,0,0,6,11,,,1,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
1-NONADECENE,018435-45-5,29075,nonadec-1-ene,CCCCCCCCCCCCCCCCCC=C,"InChI=1S/C19H38/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3H,1,4-19H2,2H3",NHLUYCJZUXOUBX-UHFFFAOYSA-N,C19H38,266.5,266.2973512,10.6,0,159,0,0,0,16,19,,,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,6,10-DODECATRIENE, 7,11-DIMETHYL-3-METHYLENE-, (E)-",018794-84-8,5281517,"(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene",CC(=CCC/C(=C/CCC(=C)C=C)/C)C,"InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+",JSNRRGGBADWTMC-NTCAYCPXSA-N,C15H24,204.35,204.1878008,6.2,0,260,0,0,0,7,15,,,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"11-HEXADECENAL, (Z)-",053939-28-9,5364495,(Z)-hexadec-11-enal,CCCC/C=C\CCCCCCCCCC=O,"InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,16H,2-4,7-15H2,1H3/b6-5-",AMTITFMUKRZZEE-WAYWQWQTSA-N,C16H30O,238.41,238.2296656,6.1,17.1,172,0,0,1,13,17,,,1,0,1,0,1,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
C11-15-ISOALKANES,090622-58-5,20058852,"3,5,7-trimethyldecane",CCCC(C)CC(C)CC(C)CC,"InChI=1S/C13H28/c1-6-8-12(4)10-13(5)9-11(3)7-2/h11-13H,6-10H2,1-5H3",PEYBKVQWVSPNDC-UHFFFAOYSA-N,C13H28,184.36,184.2191009,6.4,0,107,0,0,0,7,13,,,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
UNDECANE,001120-21-4,14257,undecane,CCCCCCCCCCC,"InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3",RSJKGSCJYJTIGS-UHFFFAOYSA-N,C11H24,156.31,156.1878008,5.6,0,49,0,0,0,8,11,"149 °F (NFPA, 2010)","384.6 °F at 760 mmHg (NTP, 1992)",0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
OCTADECYLAMINE,000124-30-1,15793,octadecan-1-amine,CCCCCCCCCCCCCCCCCCN,"InChI=1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3",REYJJPSVUYRZGE-UHFFFAOYSA-N,C18H39N,269.5,269.3082502,8.5,26,145,0,1,1,16,19,"300 °F (NTP, 1992)","660 °F at 760 mmHg (NTP, 1992)",1,0,0,0,1,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
N-HEXADECANE,000544-76-3,11006,hexadecane,CCCCCCCCCCCCCCCC,"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",DCAYPVUWAIABOU-UHFFFAOYSA-N,C16H34,226.44,226.2660511,8.3,0,92,0,0,0,13,16,"275 °F (NTP, 1992)","549 °F at 760 mmHg (NTP, 1992)",0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-DECEN-2-ONE,010519-33-2,5363233,(E)-dec-3-en-2-one,CCCCCC/C=C/C(=O)C,"InChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h8-9H,3-7H2,1-2H3/b9-8+",JRPDANVNRUIUAB-CMDGGOBGSA-N,C10H18O,154.25,154.1357652,3.4,17.1,125,0,0,1,6,11,,,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"DISULFIDE, DI-TERT-DODECYL",027458-90-8,117981,2-methyl-2-(2-methylundecan-2-yldisulfanyl)undecane,CCCCCCCCCC(C)(C)SSC(C)(C)CCCCCCCCC,"InChI=1S/C24H50S2/c1-7-9-11-13-15-17-19-21-23(3,4)25-26-24(5,6)22-20-18-16-14-12-10-8-2/h7-22H2,1-6H3",LEDIWWJKWAMGLD-UHFFFAOYSA-N,C24H50S2,402.8,402.3353939,11.1,50.6,267,0,0,2,19,26,,,0,0,0,0,1,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
3-HYDROXYBUTANAL,000107-89-1,7897,3-hydroxybutanal,CC(CC=O)O,"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3",HSJKGGMUJITCBW-UHFFFAOYSA-N,C4H8O2,88.11,88.05242949,-0.6,37.3,42,0,1,2,2,6,"150 °F (NFPA, 2010)",Decomposes at about 83 °C,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,1,2,2-TETRACHLOROETHANE",000079-34-5,6591,"1,1,2,2-tetrachloroethane",C(C(Cl)Cl)(Cl)Cl,InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H,QPFMBZIOSGYJDE-UHFFFAOYSA-N,C2H2Cl4,167.8,167.888111,2.4,0,26,0,0,0,1,6,,"295 °F at 760 mmHg (NTP, 1992)",0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
N-HEXANOIC ACID,000142-62-1,8892,hexanoic acid,CCCCCC(=O)O,"InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)",FUZZWVXGSFPDMH-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,1.9,37.3,68,0,1,2,4,8,"220 °F (NTP, 1992)","396 to 397 °F at 760 mmHg (NTP, 1992)",0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3,3'-(1,4-BUTANEDIYLBIS(OXY))BIS-1-PROPANAMINE",007300-34-7,81729,3-[4-(3-aminopropoxy)butoxy]propan-1-amine,C(CCOCCCN)COCCCN,InChI=1S/C10H24N2O2/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h1-12H2,YOOSAIJKYCBPFW-UHFFFAOYSA-N,C10H24N2O2,204.31,204.183778,-0.5,70.5,90,0,2,4,11,14,,,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"1-OCTYN-3-OL, 4-ETHYL-",005877-42-9,93012,4-ethyloct-1-yn-3-ol,CCCCC(CC)C(C#C)O,"InChI=1S/C10H18O/c1-4-7-8-9(5-2)10(11)6-3/h3,9-11H,4-5,7-8H2,1-2H3",CUUQUEAUUPYEKK-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,2.8,20.2,131,0,1,1,5,11,,,1,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"FORMAMIDE, N-(HYDROXYMETHYL)-",013052-19-2,83086,N-(hydroxymethyl)formamide,C(NC=O)O,"InChI=1S/C2H5NO2/c4-1-3-2-5/h1,5H,2H2,(H,3,4)",MNQOPPDTVHYCEZ-UHFFFAOYSA-N,C2H5NO2,75.07,75.0320284,-1,49.3,28,0,2,2,1,5,,,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1,2-ETHANEDIAMINE, SULFATE (1:1)",022029-36-3,168015,"ethane-1,2-diamine;sulfuric acid",C(CN)N.OS(=O)(=O)O,"InChI=1S/C2H8N2.H2O4S/c3-1-2-4;1-5(2,3)4/h1-4H2;(H2,1,2,3,4)",BNZCDZDLTIHJAC-UHFFFAOYSA-N,C2H10N2O4S,158.18,158.036128,,135,87,0,4,6,1,9,,,0,1,0,0,0,0,1,1,0,0,0,0,0,0,1,0,1,1,0,0
2-ETHYLBUTYRIC ACID,000088-09-5,6915,2-ethylbutanoic acid,CCC(CC)C(=O)O,"InChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)",OXQGTIUCKGYOAA-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,1.7,37.3,74,0,1,2,3,8,,99.00 to 101.00 °C. @ 18.00 mm Hg,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
DIETHYLENE GLYCOL DIACRYLATE,004074-88-8,19996,2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate,C=CC(=O)OCCOCCOC(=O)C=C,"InChI=1S/C10H14O5/c1-3-9(11)14-7-5-13-6-8-15-10(12)4-2/h3-4H,1-2,5-8H2",LEJBBGNFPAFPKQ-UHFFFAOYSA-N,C10H14O5,214.21,214.0841235,1,61.8,210,0,0,5,10,15,"172 °F (NTP, 1992)","greater than 392 °F at 760 mmHg (NTP, 1992)",0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
NEOPENTYL GLYCOL DIACRYLATE,002223-82-7,16680,"(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate",CC(C)(COC(=O)C=C)COC(=O)C=C,"InChI=1S/C11H16O4/c1-5-9(12)14-7-11(3,4)8-15-10(13)6-2/h5-6H,1-2,7-8H2,3-4H3",MXFQRSUWYYSPOC-UHFFFAOYSA-N,C11H16O4,212.24,212.104859,2.4,52.6,240,0,0,4,8,15,115 °C,at 0.13kPa: 96 °C,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
THIONYL BROMIDE,000507-16-4,68176,,O=S(Br)Br,InChI=1S/Br2OS/c1-4(2)3,HFRXJVQOXRXOPP-UHFFFAOYSA-N,Br2OS,207.87,207.80161,1.6,36.3,29,0,0,2,0,4,,,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
(R)-(-)-2-HEPTANOL,006033-24-5,6992611,(2R)-heptan-2-ol,CCCCC[C@@H](C)O,"InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3/t7-/m1/s1",CETWDUZRCINIHU-SSDOTTSWSA-N,C7H16O,116.2,116.1201151,2.3,20.2,43,0,1,1,4,8,,,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIMETHYLACETAMIDE-D9",116057-81-9,22789542,"2,2,2-trideuterio-N,N-bis(trideuteriomethyl)acetamide",[2H]C([2H])([2H])C(=O)N(C([2H])([2H])[2H])C([2H])([2H])[2H],"InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3/i1D3,2D3,3D3",FXHOOIRPVKKKFG-GQALSZNTSA-N,C4H9NO,96.18,96.12490462,-0.8,20.3,58,0,0,1,0,6,,,0,1,1,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
"ETHANOL, 2-[2-(DIETHYLAMINO)ETHOXY]-",000140-82-9,67327,2-[2-(diethylamino)ethoxy]ethanol,CCN(CC)CCOCCO,"InChI=1S/C8H19NO2/c1-3-9(4-2)5-7-11-8-6-10/h10H,3-8H2,1-2H3",VKBVRNHODPFVHK-UHFFFAOYSA-N,C8H19NO2,161.24,161.1415788,0.2,32.7,74,0,1,3,7,11,,,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DIBUTYLTIN BIS(LAURYL MERCAPTIDE),001185-81-5,9561614,dibutyl-bis(dodecylsulfanyl)stannane,CCCCCCCCCCCCS[Sn](CCCC)(CCCC)SCCCCCCCCCCCC,"InChI=1S/2C12H26S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13;2*1-3-4-2;/h2*13H,2-12H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2",FFGHLLOLFQHABK-UHFFFAOYSA-L,C32H68S2Sn,635.7,636.378447,,50.6,352,0,0,2,30,35,"greater than 200 °F (NTP, 1992)",,1,1,0,0,0,0,1,0,0,0,1,0,0,1,0,0,1,1,1,0
"1-PROPANAMINIUM, 3-(DODECYLOXY)-2-HYDROXY-N,N-BIS(2-HYDROXYETHYL)-N-METHYL-, M",018602-17-0,87722,(3-dodecoxy-2-hydroxypropyl)-bis(2-hydroxyethyl)-methylazanium;methyl sulfate,CCCCCCCCCCCCOCC(C[N+](C)(CCO)CCO)O.COS(=O)(=O)[O-],"InChI=1S/C20H44NO4.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-17-25-19-20(24)18-21(2,13-15-22)14-16-23;1-5-6(2,3)4/h20,22-24H,3-19H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",PHLIZCDUCLCAEQ-UHFFFAOYSA-M,C21H47NO8S,473.7,473.3022386,,145,361,0,3,8,19,31,,,1,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 1-METHYL-1,3-PROPANEDIYL ESTER",019485-03-1,29635,3-prop-2-enoyloxybutyl prop-2-enoate,CC(CCOC(=O)C=C)OC(=O)C=C,"InChI=1S/C10H14O4/c1-4-9(11)13-7-6-8(3)14-10(12)5-2/h4-5,8H,1-2,6-7H2,3H3",FQMIAEWUVYWVNB-UHFFFAOYSA-N,C10H14O4,198.22,198.0892089,2,52.6,232,0,0,4,8,14,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"8-OXA-3,5-DITHIA-4-STANNAEICOSANOIC ACID, 4,4-DIBUTYL-7-OXO-, DODECYL ESTER",020004-12-0,9576052,dodecyl 2-[dibutyl-(2-dodecoxy-2-oxoethyl)sulfanylstannyl]sulfanylacetate,CCCCCCCCCCCCOC(=O)CS[Sn](CCCC)(CCCC)SCC(=O)OCCCCCCCCCCCC,"InChI=1S/2C14H28O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-16-14(15)13-17;2*1-3-4-2;/h2*17H,2-13H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2",QWXSPIOOSOTTAU-UHFFFAOYSA-L,C36H72O4S2Sn,751.8,752.389406,,103,568,0,0,6,36,43,,,0,1,1,0,0,0,0,0,0,0,1,0,0,1,0,0,1,1,1,0
CERIUM FLUORIDE,007758-88-5,24457,cerium(3+) trifluoride,[F-].[F-].[F-].[Ce+3],InChI=1S/Ce.3FH/h;3*1H/q+3;;;/p-3,QCCDYNYSHILRDG-UHFFFAOYSA-K,CeF3,197.111,196.90066,,0,0,0,0,3,0,4,,,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
STEARONITRILE,000638-65-3,12532,octadecanenitrile,CCCCCCCCCCCCCCCCCC#N,"InChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-17H2,1H3",RHSBIGNQEIPSCT-UHFFFAOYSA-N,C18H35N,265.5,265.2769501,8,23.8,201,0,0,1,15,19,,362 °C @ 760 MM HG,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
FERRIC FERROCYANIDE,014038-43-8,2724251,tris(iron(2+));tetrakis(iron(3+));octadecacyanide,[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Fe+2].[Fe+2].[Fe+3].[Fe+3].[Fe+3].[Fe+3],InChI=1S/18CN.7Fe/c18*1-2;;;;;;;/q18*-1;3*+2;4*+3,DCYOBGZUOMKFPA-UHFFFAOYSA-N,C18Fe7N18,859.2,859.59988,,428,127,0,0,36,0,43,,,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
GERANIC ACID,000459-80-3,5275520,"(2E)-3,7-dimethylocta-2,6-dienoic acid",CC(=CCC/C(=C/C(=O)O)/C)C,"InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+",ZHYZQXUYZJNEHD-VQHVLOKHSA-N,C10H16O2,168.23,168.1150297,3.1,37.3,208,0,1,2,4,12,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DIETHYLENE GLYCOL DIVINYL ETHER,000764-99-8,12998,1-ethenoxy-2-(2-ethenoxyethoxy)ethane,C=COCCOCCOC=C,"InChI=1S/C8H14O3/c1-3-9-5-7-11-8-6-10-4-2/h3-4H,1-2,5-8H2",SAMJGBVVQUEMGC-UHFFFAOYSA-N,C8H14O3,158.19,158.0942943,1.3,27.7,89,0,0,3,8,11,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, DICHLORO-, ETHYL ESTER",000535-15-9,10808,"ethyl 2,2-dichloroacetate",CCOC(=O)C(Cl)Cl,"InChI=1S/C4H6Cl2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3",IWYBVQLPTCMVFO-UHFFFAOYSA-N,C4H6Cl2O2,156.99,155.9744848,1.8,26.3,82,0,0,2,3,8,,,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"PROPANENITRILE, 3-(METHYLAMINO)-",000693-05-0,69656,3-(methylamino)propanenitrile,CNCCC#N,"InChI=1S/C4H8N2/c1-6-4-2-3-5/h6H,2,4H2,1H3",UNIJBMUBHBAUET-UHFFFAOYSA-N,C4H8N2,84.12,84.06874826,-0.5,35.8,59,0,1,2,2,6,,,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"GERMANE, TETRAPROPYL-",000994-65-0,13824,tetrapropylgermane,CCC[Ge](CCC)(CCC)CCC,"InChI=1S/C12H28Ge/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-12H2,1-4H3",XSYFWJCOPKYIQN-UHFFFAOYSA-N,C12H28Ge,244.98,246.1402787,,0,80,0,0,0,8,13,,,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4-DECADIENAL",002363-88-4,5283349,"(2E,4E)-deca-2,4-dienal",CCCCC/C=C/C=C/C=O,"InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6+,9-8+",JZQKTMZYLHNFPL-BLHCBFLLSA-N,C10H16O,152.23,152.1201151,3.2,17.1,134,0,0,1,6,11,,,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPANAMINE, N-HYDROXY-",005080-22-8,78763,N-propan-2-ylhydroxylamine,CC(C)NO,"InChI=1S/C3H9NO/c1-3(2)4-5/h3-5H,1-2H3",ODHYIQOBTIWVRZ-UHFFFAOYSA-N,C3H9NO,75.11,75.06841391,0.1,32.3,20,0,2,2,1,5,,,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, CYANO-, BUTYL ESTER",005459-58-5,79571,butyl 2-cyanoacetate,CCCCOC(=O)CC#N,"InChI=1S/C7H11NO2/c1-2-3-6-10-7(9)4-5-8/h2-4,6H2,1H3",DJACTCNGCHPGOI-UHFFFAOYSA-N,C7H11NO2,141.17,141.0789786,1.3,50.1,145,0,0,3,5,10,,,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANAMIDE, N-METHYL-3-OXO-",020306-75-6,88483,N-methyl-3-oxobutanamide,CC(=O)CC(=O)NC,"InChI=1S/C5H9NO2/c1-4(7)3-5(8)6-2/h3H2,1-2H3,(H,6,8)",ATWLCPHWYPSRBQ-UHFFFAOYSA-N,C5H9NO2,115.13,115.0633285,-0.6,46.2,109,0,1,2,2,8,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANEDINITRILE, [3-(DIHEXYLAMINO)-2-PROPENYLIDENE]-",061600-15-5,108562,2-[3-(dihexylamino)prop-2-enylidene]propanedinitrile,CCCCCCN(CCCCCC)C=CC=C(C#N)C#N,"InChI=1S/C18H29N3/c1-3-5-7-9-13-21(14-10-8-6-4-2)15-11-12-18(16-19)17-20/h11-12,15H,3-10,13-14H2,1-2H3",UKMOTPPGNSDWRI-UHFFFAOYSA-N,C18H29N3,287.4,287.2361479,5.6,50.8,373,0,0,3,12,21,,,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ISOPROPOXYETHANOL,000109-59-1,7996,2-propan-2-yloxyethanol,CC(C)OCCO,"InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3",HCGFUIQPSOCUHI-UHFFFAOYSA-N,C5H12O2,104.15,104.0837296,0.1,29.5,35,0,1,2,3,7,"91.4 °F (USCG, 1999)","285.8 °F at 760 mmHg (USCG, 1999)",0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
2-PROPOXYETHANOL,002807-30-9,17756,2-propoxyethanol,CCCOCCO,"InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3",YEYKMVJDLWJFOA-UHFFFAOYSA-N,C5H12O2,104.15,104.0837296,0.5,29.5,29,0,1,2,4,7,"120 °F (USCG, 1999)","301 °F at 760 mmHg (USCG, 1999)",0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
DIMETHYLFORMAMIDE,000068-12-2,6228,"N,N-dimethylformamide",CN(C)C=O,"InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3",ZMXDDKWLCZADIW-UHFFFAOYSA-N,C3H7NO,73.09,73.05276385,-1,20.3,33,0,0,1,0,5,"153 °F (NTP, 1992)","300 to 313 °F at 760 mmHg (NTP, 1992)",0,1,1,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
ACETONE OXIME,000127-06-0,67180,N-propan-2-ylidenehydroxylamine,CC(=NO)C,"InChI=1S/C3H7NO/c1-3(2)4-5/h5H,1-2H3",PXAJQJMDEXJWFB-UHFFFAOYSA-N,C3H7NO,73.09,73.05276385,0.1,32.6,44,0,1,2,0,5,,133 °C,0,1,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,1,1,1
AMMONIUM SULFIDE ((NH4)(SH)),012124-99-1,25515,azanium sulfanide,[NH4+].[SH-],InChI=1S/H3N.H2S/h1H3;1H2,HIVLDXAAFGCOFU-UHFFFAOYSA-N,H5NS,51.11,51.01427034,,2,0,0,2,1,0,2,,,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DIETHYLENE GLYCOL MONO-N-HEXYL ETHER,000112-59-4,8199,2-(2-hexoxyethoxy)ethanol,CCCCCCOCCOCCO,"InChI=1S/C10H22O3/c1-2-3-4-5-7-12-9-10-13-8-6-11/h11H,2-10H2,1H3",GZMAAYIALGURDQ-UHFFFAOYSA-N,C10H22O3,190.28,190.1568946,1.7,38.7,86,0,1,3,10,13,"285 °F (USCG, 1999)","498.4 °F at 760 mmHg (USCG, 1999)",0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ETHYLENE GLYCOL MONOBUTYL ETHER ACETATE,000112-07-2,8160,2-butoxyethyl acetate,CCCCOCCOC(=O)C,"InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3",NQBXSWAWVZHKBZ-UHFFFAOYSA-N,C8H16O3,160.21,160.1099444,1.2,35.5,102,0,0,3,7,11,"160 °F (USCG, 1999)","378 °F at 760 mmHg (USCG, 1999)",0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIETHYLENETETRAMINE,000112-24-3,5565,"N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine",C(CNCCNCCN)N,"InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2",VILCJCGEZXAXTO-UHFFFAOYSA-N,C6H18N4,146.23,146.1531466,-2.5,76.1,49,0,4,4,7,10,"275 °F (NTP, 1992)","511 to 513 °F at 760 mmHg (NTP, 1992)",0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"1,4-BUTANEDIOL DIACRYLATE",001070-70-8,70613,4-prop-2-enoyloxybutyl prop-2-enoate,C=CC(=O)OCCCCOC(=O)C=C,"InChI=1S/C10H14O4/c1-3-9(11)13-7-5-6-8-14-10(12)4-2/h3-4H,1-2,5-8H2",JHWGFJBTMHEZME-UHFFFAOYSA-N,C10H14O4,198.22,198.0892089,1.9,52.6,196,0,0,4,9,14,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
N-METHYLFORMAMIDE,000123-39-7,31254,N-methylformamide,CNC=O,"InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)",ATHHXGZTWNVVOU-UHFFFAOYSA-N,C2H5NO,59.07,59.03711378,-1,29.1,20,0,1,1,0,4,"208 °F (NTP, 1992)","356 to 365 °F at 760 mmHg (NTP, 1992)",0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
DIMETHYL ACETAMIDE,000127-19-5,31374,"N,N-dimethylacetamide",CC(=O)N(C)C,InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3,FXHOOIRPVKKKFG-UHFFFAOYSA-N,C4H9NO,87.12,87.06841391,-0.8,20.3,58,0,0,1,0,6,"151 °F (NTP, 1992)","329 to 331 °F at 760 mmHg (NTP, 1992)",0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
DIMETHYL FUMARATE,000624-49-7,637568,dimethyl (E)-but-2-enedioate,COC(=O)/C=C/C(=O)OC,"InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+",LDCRTTXIJACKKU-ONEGZZNKSA-N,C6H8O4,144.12,144.0422587,0.7,52.6,141,0,0,4,4,10,,193 °C,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
FLUOROTRICHLOROMETHANE,000075-69-4,6389,trichloro(fluoro)methane,C(F)(Cl)(Cl)Cl,"InChI=1S/CCl3F/c2-1(3,4)5",CYRMSUTZVYGINF-UHFFFAOYSA-N,CCl3F,137.36,135.904961,2.5,0,28,0,0,1,0,5,,"74.7 °F at 760 mmHg (NTP, 1992)",0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SULFUROUS ACID,007782-99-2,1100,sulfurous acid,OS(=O)O,"InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)",LSNNMFCWUKXFEE-UHFFFAOYSA-N,H2O3S,82.08,81.9724651,-0.5,76.7,26,0,2,4,0,4,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
GLUTARIC ACID,000110-94-1,743,pentanedioic acid,C(CC(=O)O)CC(=O)O,"InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)",JFCQEDHGNNZCLN-UHFFFAOYSA-N,C5H8O4,132.11,132.0422587,-0.3,74.6,104,0,2,4,4,9,,"576 to 579 °F at 760 mmHg (decomposes) (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ISOVALERIC ACID,000503-74-2,10430,3-methylbutanoic acid,CC(C)CC(=O)O,"InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)",GWYFCOCPABKNJV-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,1.2,37.3,66,0,1,2,2,7,70 °C,176.5 °C @ 760 MM HG,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"SODIUM PHOSPHATE, TRIBASIC, DODECAHYDRATE",010101-89-0,61473,trisodium;phosphate;dodecahydrate,O.O.O.O.O.O.O.O.O.O.O.O.[O-]P(=O)([O-])[O-].[Na+].[Na+].[Na+],"InChI=1S/3Na.H3O4P.12H2O/c;;;1-5(2,3)4;;;;;;;;;;;;/h;;;(H3,1,2,3,4);12*1H2/q3*+1;;;;;;;;;;;;;/p-3",ASTWEMOBIXQPPV-UHFFFAOYSA-K,H24Na3O16P,380.12,380.0495045,,98.3,36,0,12,16,0,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SULFUR PENTAFLUORIDE,005714-22-7,62586,pentafluoro-(pentafluoro-lambda6-sulfanyl)-lambda6-sulfane,FS(F)(F)(F)(F)S(F)(F)(F)(F)F,"InChI=1S/F10S2/c1-11(2,3,4,5)12(6,7,8,9)10",BPFZRKQDXVZTFD-UHFFFAOYSA-N,F10S2,254.12,253.928174,7.2,2,183,0,0,10,0,12,,"84 °F at 760 mmHg (NIOSH, 2024)",0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
HAFNIUM CHLORIDE,013499-05-3,37715,tetrachlorohafnium,Cl[Hf](Cl)(Cl)Cl,InChI=1S/4ClH.Hf/h4*1H;/q;;;;+4/p-4,PDPJQWYGJJBYLF-UHFFFAOYSA-J,Cl4Hf,320.3,321.81902,,0,19,0,0,0,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
CERIC SULFATE,017106-39-7,16212733,cerium(4+);sulfuric acid;disulfate;hydrate,O.OS(=O)(=O)O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ce+4],"InChI=1S/Ce.3H2O4S.H2O/c;3*1-5(2,3)4;/h;3*(H2,1,2,3,4);1H2/q+4;;;;/p-4",FGTHNVIWCFTMAV-UHFFFAOYSA-J,CeH4O13S3,448.3,447.78685,,261,144,0,3,13,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TUNGSTEN HEXACHLORIDE,013283-01-7,83301,hexachlorotungsten,Cl[W](Cl)(Cl)(Cl)(Cl)Cl,InChI=1S/6ClH.W/h6*1H;/q;;;;;;+6/p-6,KPGXUAIFQMJJFB-UHFFFAOYSA-H,Cl6W,396.5,395.761099,,0,62,0,0,0,0,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ZIRCONIUM TETRAFLUORIDE,007783-64-4,82216,tetrafluorozirconium,F[Zr](F)(F)F,InChI=1S/4FH.Zr/h4*1H;/q;;;;+4/p-4,OMQSJNWFFJOIMO-UHFFFAOYSA-J,F4Zr,167.22,165.898311,,0,19,0,0,4,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
RHENIUM HEXAFLUORIDE,010049-17-9,66231,hexafluororhenium,F[Re](F)(F)(F)(F)F,InChI=1S/6FH.Re/h6*1H;/q;;;;;;+6/p-6,YUCDNKHFHNORTO-UHFFFAOYSA-H,F6Re,300.197,300.946171,,0,62,0,0,6,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PHOSPHOTUNGSTIC ACID,012067-99-1,90478944,phosphoric acid;dodecakis(trioxotungsten),OP(=O)(O)O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O,"InChI=1S/H3O4P.36O.12W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h(H3,1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;",IYDGMDWEHDFVQI-UHFFFAOYSA-N,H3O40PW12,2880.1,2879.20572,,692,112,0,3,40,0,53,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SPERMINE,000071-44-3,1103,"N,N'-bis(3-aminopropyl)butane-1,4-diamine",C(CCNCCCN)CNCCCN,"InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2",PFNFFQXMRSDOHW-UHFFFAOYSA-N,C10H26N4,202.34,202.2157469,-1.1,76.1,86,0,4,4,11,14,,150-150 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
3-METHYLVALERIC ACID,000105-43-1,7755,3-methylpentanoic acid,CCC(C)CC(=O)O,"InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)",IGIDLTISMCAULB-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,1.6,37.3,78,0,1,2,3,8,,196.00 to 198.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
MUCOBROMIC ACID,000488-11-9,3033972,"(Z)-2,3-dibromo-4-oxobut-2-enoic acid",C(=O)/C(=C(\C(=O)O)/Br)/Br,"InChI=1S/C4H2Br2O3/c5-2(1-7)3(6)4(8)9/h1H,(H,8,9)/b3-2-",NCNYEGJDGNOYJX-IHWYPQMZSA-N,C4H2Br2O3,257.86,257.83502,1.3,54.4,173,0,1,3,2,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CHROMIUM(II) FLUORIDE,010049-10-2,66229,difluorochromium,F[Cr]F,InChI=1S/Cr.2FH/h;2*1H/q+2;;/p-2,RNFYGEKNFJULJY-UHFFFAOYSA-L,CrF2,89.993,89.937311,,0,2,0,0,2,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
BROMOPYRUVIC ACID,001113-59-3,70684,3-bromo-2-oxopropanoic acid,C(C(=O)C(=O)O)Br,"InChI=1S/C3H3BrO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)",PRRZDZJYSJLDBS-UHFFFAOYSA-N,C3H3BrO3,166.96,165.92656,0.5,54.4,98,0,1,3,2,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PENTAFLUOROPROPIONIC ANHYDRIDE,000356-42-3,67742,"2,2,3,3,3-pentafluoropropanoyl 2,2,3,3,3-pentafluoropropanoate",C(=O)(C(C(F)(F)F)(F)F)OC(=O)C(C(F)(F)F)(F)F,"InChI=1S/C6F10O3/c7-3(8,5(11,12)13)1(17)19-2(18)4(9,10)6(14,15)16",XETRHNFRKCNWAJ-UHFFFAOYSA-N,C6F10O3,310.05,309.9687755,3.5,43.4,342,0,0,13,4,19,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRIFLUOROACETIC ACID ANHYDRIDE,000407-25-0,9845,"(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate",C(=O)(C(F)(F)F)OC(=O)C(F)(F)F,"InChI=1S/C4F6O3/c5-3(6,7)1(11)13-2(12)4(8,9)10",QAEDZJGFFMLHHQ-UHFFFAOYSA-N,C4F6O3,210.03,209.9751628,2.1,43.4,201,0,0,9,2,13,,,0,0,1,0,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,0
PROPYLPHOSPHONIC ACID,004672-38-2,204484,propylphosphonic acid,CCCP(=O)(O)O,"InChI=1S/C3H9O3P/c1-2-3-7(4,5)6/h2-3H2,1H3,(H2,4,5,6)",NSETWVJZUWGCKE-UHFFFAOYSA-N,C3H9O3P,124.08,124.0289311,-0.7,57.5,84,0,2,3,2,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
1-AMINOPROPYL-PHOSPHONIC ACID,014047-23-5,178368,1-aminopropylphosphonic acid,CCC(N)P(=O)(O)O,"InChI=1S/C3H10NO3P/c1-2-3(4)8(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)",DELJNDWGTWHHFA-UHFFFAOYSA-N,C3H10NO3P,139.09,139.0398302,-3.8,83.6,109,0,3,4,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ZIRCONYL CHLORIDE OCTAHYDRATE,013520-92-8,22292067,oxozirconium(2+);dichloride;hydrate,O.O=[Zr+2].[Cl-].[Cl-],InChI=1S/2ClH.H2O.O.Zr/h2*1H;1H2;;/q;;;;+2/p-2,SDFOCNSOSARAKC-UHFFFAOYSA-L,Cl2H2O2Zr,196.14,193.847883,,18.1,2,0,1,4,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
LITHIUM OXIDE,012057-24-8,166630,dilithium;oxygen(2-),[Li+].[Li+].[O-2],InChI=1S/2Li.O/q2*+1;-2,FUJCRWPEOMXPAD-UHFFFAOYSA-N,Li2O,29.9,30.02692149,,1,0,0,0,1,0,3,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
METHYL MALONYL CHLORIDE,037517-81-0,123460,methyl 3-chloro-3-oxopropanoate,COC(=O)CC(=O)Cl,"InChI=1S/C4H5ClO3/c1-8-4(7)2-3(5)6/h2H2,1H3",UTBCRHAMJFMIIR-UHFFFAOYSA-N,C4H5ClO3,136.53,135.9927217,0.6,43.4,110,0,0,3,3,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
DIMETHYLDIACETOXYSILANE,002182-66-3,75130,[acetyloxy(dimethyl)silyl] acetate,CC(=O)O[Si](C)(C)OC(=O)C,"InChI=1S/C6H12O4Si/c1-5(7)9-11(3,4)10-6(2)8/h1-4H3",RQVFGTYFBUVGOP-UHFFFAOYSA-N,C6H12O4Si,176.24,176.0504854,,52.6,157,0,0,4,4,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
3-AMINOPROPYL TRIMETHOXYSILANE,013822-56-5,83756,3-trimethoxysilylpropan-1-amine,CO[Si](CCCN)(OC)OC,"InChI=1S/C6H17NO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4-7H2,1-3H3",SJECZPVISLOESU-UHFFFAOYSA-N,C6H17NO3Si,179.29,179.0977699,,53.7,89,0,1,4,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM 2-MERCAPTOETHANESULFONATE,019767-45-4,23662354,sodium 2-sulfanylethanesulfonate,C(CS(=O)(=O)[O-])S.[Na+],"InChI=1S/C2H6O3S2.Na/c3-7(4,5)2-1-6;/h6H,1-2H2,(H,3,4,5);/q;+1/p-1",XOGTZOOQQBDUSI-UHFFFAOYSA-M,C2H5NaO3S2,164.18,163.9577807,,66.6,123,0,1,4,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CARBOXYETHYLPHOSPHONIC ACID,005962-42-5,1682,3-phosphonopropanoic acid,C(CP(=O)(O)O)C(=O)O,"InChI=1S/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8)",NLBSQHGCGGFVJW-UHFFFAOYSA-N,C3H7O5P,154.06,154.0031103,-2.1,94.8,146,0,3,5,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,2,2-TRIFLUORETHANESULFONYL CHLORIDE",001648-99-3,74242,"2,2,2-trifluoroethanesulfonyl chloride",C(C(F)(F)F)S(=O)(=O)Cl,"InChI=1S/C2H2ClF3O2S/c3-9(7,8)1-2(4,5)6/h1H2",CXCHEKCRJQRVNG-UHFFFAOYSA-N,C2H2ClF3O2S,182.55,181.9416127,1.5,42.5,175,0,0,5,1,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SULFURYL CHLORIDE,007791-25-5,24648,sulfuryl dichloride,O=S(=O)(Cl)Cl,"InChI=1S/Cl2O2S/c1-5(2,3)4",YBBRCQOCSYXUOC-UHFFFAOYSA-N,Cl2O2S,134.97,133.8996058,1.2,42.5,85,0,0,2,0,5,,"156.4 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
SULFUR TRIOXIDE TRIMETHYLAMINE COMPLEX,003162-58-1,222852,"N,N-dimethylmethanamine;sulfur trioxide",CN(C)C.O=S(=O)=O,InChI=1S/C3H9N.O3S/c2*1-4(2)3/h1-3H3;,DXASQZJWWGZNSF-UHFFFAOYSA-N,C3H9NO3S,139.18,139.0303143,,55.5,69,0,0,4,0,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ZIRCONIUM(IV) FLUORIDE HYDRATE,015298-38-1,15387074,tetrafluorozirconium;hydrate,O.F[Zr](F)(F)F,InChI=1S/4FH.H2O.Zr/h4*1H;1H2;/q;;;;;+4/p-4,GORLMDNEWNWWBP-UHFFFAOYSA-J,F4H2OZr,185.23,183.908876,,1,19,0,1,5,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ETHYLPHOSPHONIC ACID,006779-09-5,204482,ethylphosphonic acid,CCP(=O)(O)O,"InChI=1S/C2H7O3P/c1-2-6(3,4)5/h2H2,1H3,(H2,3,4,5)",GATNOFPXSDHULC-UHFFFAOYSA-N,C2H7O3P,110.05,110.0132811,-1.2,57.5,72,0,2,3,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TETRASODIUM ORTHOSILICATE,013472-30-5,26051,tetrasodium;silicate,[O-][Si]([O-])([O-])[O-].[Na+].[Na+].[Na+].[Na+],"InChI=1S/4Na.O4Si/c;;;;1-5(2,3)4/q4*+1;-4",POWFTOSLLWLEBN-UHFFFAOYSA-N,Na4O4Si,184.04,183.9156621,,92.2,19,0,0,4,0,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
SUCCINYL CHLORIDE,000543-20-4,10970,butanedioyl dichloride,C(CC(=O)Cl)C(=O)Cl,InChI=1S/C4H4Cl2O2/c5-3(7)1-2-4(6)8/h1-2H2,IRXBNHGNHKNOJI-UHFFFAOYSA-N,C4H4Cl2O2,154.98,153.9588348,1.2,34.1,96,0,0,2,3,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ZIRCONYL CHLORIDE HYDRATE,015461-27-5,16211499,oxozirconium;hydrate;dihydrochloride,O.O=[Zr].Cl.Cl,InChI=1S/2ClH.H2O.O.Zr/h2*1H;1H2;;,VBTPZBJEHPOUOI-UHFFFAOYSA-N,Cl2H4O2Zr,198.16,195.863534,,18.1,6,0,3,2,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
4-AMINOBUTYRALDEHYDE DIETHYL ACETAL,006346-09-4,80672,"4,4-diethoxybutan-1-amine",CCOC(CCCN)OCC,"InChI=1S/C8H19NO2/c1-3-10-8(11-4-2)6-5-7-9/h8H,3-7,9H2,1-2H3",GFLPSABXBDCMCN-UHFFFAOYSA-N,C8H19NO2,161.24,161.1415788,0.6,44.5,72,0,1,3,7,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIMETHYLPHOSPHINIC CHLORIDE,001111-92-8,517954,[chloro(methyl)phosphoryl]methane,CP(=O)(C)Cl,"InChI=1S/C2H6ClOP/c1-5(2,3)4/h1-2H3",CVNMBKFJYRAHPO-UHFFFAOYSA-N,C2H6ClOP,112.49,111.9844795,0.2,17.1,64,0,0,1,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ZIRCONIUM BROMIDE,013777-25-8,83727,tetrabromozirconium,Br[Zr](Br)(Br)Br,InChI=1S/4BrH.Zr/h4*1H;/q;;;;+4/p-4,LSWWNKUULMMMIL-UHFFFAOYSA-J,Br4Zr,410.84,409.57395,,0,19,0,0,0,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CERIC SULFATE TETRAHYDRATE,010294-42-5,22723557,cerium(4+);disulfate;tetrahydrate,O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ce+4],"InChI=1S/Ce.2H2O4S.4H2O/c;2*1-5(2,3)4;;;;/h;2*(H2,1,2,3,4);4*1H2/q+4;;;;;;/p-4",MEXSQFDSPVYJOM-UHFFFAOYSA-J,CeH8O12S2,404.3,403.85117,,181,62,0,4,12,0,15,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
TIN(IV) BROMIDE,007789-67-5,24616,tetrabromostannane,Br[Sn](Br)(Br)Br,InChI=1S/4BrH.Sn/h4*1H;/q;;;;+4/p-4,LTSUHJWLSNQKIP-UHFFFAOYSA-J,Br4Sn,438.33,439.57145,,0,19,0,0,0,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
STRONTIUM HYDROXIDE OCTAHYDRATE,001311-10-0,21617461,strontium;dihydroxide;octahydrate,O.O.O.O.O.O.O.O.[OH-].[OH-].[Sr+2],InChI=1S/10H2O.Sr/h10*1H2;/q;;;;;;;;;;+2/p-2,UJPWWRPNIRRCPJ-UHFFFAOYSA-L,H18O10Sr,265.76,265.995609,,10,0,0,10,10,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-PENTYNOIC ACID,006089-09-4,22464,pent-4-ynoic acid,C#CCCC(=O)O,"InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h1H,3-4H2,(H,6,7)",MLBYLEUJXUBIJJ-UHFFFAOYSA-N,C5H6O2,98.1,98.03677943,0.3,37.3,106,0,1,2,2,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
8-BROMOOCTANOIC ACID,017696-11-6,548275,8-bromooctanoic acid,C(CCCC(=O)O)CCCBr,"InChI=1S/C8H15BrO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7H2,(H,10,11)",BKJFDZSBZWHRNH-UHFFFAOYSA-N,C8H15BrO2,223.11,222.02554,1.3,37.3,104,0,1,2,7,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
METHYL 4-(CHLOROFORMYL)BUTYRATE,001501-26-4,73916,methyl 5-chloro-5-oxopentanoate,COC(=O)CCCC(=O)Cl,"InChI=1S/C6H9ClO3/c1-10-6(9)4-2-3-5(7)8/h2-4H2,1H3",JCAZSWWHFJVFPP-UHFFFAOYSA-N,C6H9ClO3,164.59,164.0240218,1.3,43.4,133,0,0,3,5,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
GLYCINE HYDROCHLORIDE,006000-43-7,22316,2-aminoacetic acid;hydrochloride,C(C(=O)O)N.Cl,"InChI=1S/C2H5NO2.ClH/c3-1-2(4)5;/h1,3H2,(H,4,5);1H",IVLXQGJVBGMLRR-UHFFFAOYSA-N,C2H6ClNO2,111.53,111.0087061,,63.3,42,0,3,3,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SULFURIC ACID-D2,013813-19-9,160992,dideuterio sulfate,[2H]OS(=O)(=O)O[2H],"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/i/hD2",QAOWNCQODCNURD-ZSJDYOACSA-N,H2O4S,100.09,99.97993321,-1.4,83,81,0,2,4,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
BROMOACETYL CHLORIDE,022118-09-8,89602,2-bromoacetyl chloride,C(C(=O)Cl)Br,InChI=1S/C2H2BrClO/c3-1-2(4)5/h1H2,SYZRZLUNWVNNNV-UHFFFAOYSA-N,C2H2BrClO,157.39,155.89775,1.6,17.1,44,0,0,1,1,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
METHANESULFONIC ANHYDRIDE,007143-01-3,81560,methylsulfonyl methanesulfonate,CS(=O)(=O)OS(=O)(=O)C,"InChI=1S/C2H6O5S2/c1-8(3,4)7-9(2,5)6/h1-2H3",IZDROVVXIHRYMH-UHFFFAOYSA-N,C2H6O5S2,174.2,173.9656656,-0.8,94.3,227,0,0,5,2,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRIFLUOROMETHANESULFONYL CHLORIDE,000421-83-0,79000,trifluoromethanesulfonyl chloride,C(F)(F)(F)S(=O)(=O)Cl,"InChI=1S/CClF3O2S/c2-8(6,7)1(3,4)5",GRGCWBWNLSTIEN-UHFFFAOYSA-N,CClF3O2S,168.52,167.9259626,1.6,42.5,161,0,0,5,0,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ZINC IODIDE,010139-47-6,66278,diiodozinc,[Zn](I)I,InChI=1S/2HI.Zn/h2*1H;/q;;+2/p-2,UAYWVJHJZHQCIE-UHFFFAOYSA-L,I2Zn,319.2,317.73809,,0,2,0,0,0,0,3,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"3-AMINO-1,2-PROPANEDIOL",000616-30-8,73561,"3-aminopropane-1,2-diol",C(C(CO)O)N,"InChI=1S/C3H9NO2/c4-1-3(6)2-5/h3,5-6H,1-2,4H2",KQIGMPWTAHJUMN-UHFFFAOYSA-N,C3H9NO2,91.11,91.06332853,-2,66.5,32,0,3,3,2,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
3-AMINOPROPYLMETHYLDIETHOXYSILANE,003179-76-8,18511,3-[diethoxy(methyl)silyl]propan-1-amine,CCO[Si](C)(CCCN)OCC,"InChI=1S/C8H21NO2Si/c1-4-10-12(3,11-5-2)8-6-7-9/h4-9H2,1-3H3",HXLAEGYMDGUSBD-UHFFFAOYSA-N,C8H21NO2Si,191.34,191.1341554,,44.5,105,0,1,3,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CAPRYLIC ANHYDRIDE,000623-66-5,69340,octanoyl octanoate,CCCCCCCC(=O)OC(=O)CCCCCCC,"InChI=1S/C16H30O3/c1-3-5-7-9-11-13-15(17)19-16(18)14-12-10-8-6-4-2/h3-14H2,1-2H3",RAFYDKXYXRZODZ-UHFFFAOYSA-N,C16H30O3,270.41,270.2194948,5.9,43.4,212,0,0,3,14,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"N,N-DIMETHYLPHOSPHORAMIC DICHLORIDE",000677-43-0,12673,N-dichlorophosphoryl-N-methylmethanamine,CN(C)P(=O)(Cl)Cl,"InChI=1S/C2H6Cl2NOP/c1-5(2)7(3,4)6/h1-2H3",YNHXBEVSSILHPI-UHFFFAOYSA-N,C2H6Cl2NOP,161.95,160.9564062,1.2,20.3,97,0,0,2,1,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PHOSPHORUS TRIBROMIDE,007789-60-8,24614,tribromophosphane,P(Br)(Br)Br,InChI=1S/Br3P/c1-4(2)3,IPNPIHIZVLFAFP-UHFFFAOYSA-N,Br3P,270.69,269.72673,2.8,0,8,0,0,0,0,4,,"343 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"PERFLUORO-2,5-DIMETHYL-3,6-DIOXANONANOIC ACID",013252-14-7,93076,"2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoic acid",C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)O,"InChI=1S/C9HF17O4/c10-2(1(27)28,5(14,15)16)29-9(25,26)4(13,7(20,21)22)30-8(23,24)3(11,12)6(17,18)19/h(H,27,28)",OIVQVBDAMYDDEM-UHFFFAOYSA-N,C9HF17O4,496.07,495.9603373,5.7,55.8,647,0,1,21,7,30,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0
"1,7-DIAMINOHEPTANE",000646-19-5,69533,"heptane-1,7-diamine",C(CCCN)CCCN,InChI=1S/C7H18N2/c8-6-4-2-1-3-5-7-9/h1-9H2,PWSKHLMYTZNYKO-UHFFFAOYSA-N,C7H18N2,130.23,130.1469986,0.3,52,40,0,2,2,6,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"CIS-5,8,11,14,17-EICOSAPENTAENOIC ACID",010417-94-4,446284,"(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,"InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-",JAZBEHYOTPTENJ-JLNKQSITSA-N,C20H30O2,302.5,302.2245802,5.6,37.3,398,0,1,2,13,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
HEXAFLUOROGLUTARIC ACID,000376-73-8,67827,"2,2,3,3,4,4-hexafluoropentanedioic acid",C(=O)(C(C(C(C(=O)O)(F)F)(F)F)(F)F)O,"InChI=1S/C5H2F6O4/c6-3(7,1(12)13)5(10,11)4(8,9)2(14)15/h(H,12,13)(H,14,15)",CCUWGJDGLACFQT-UHFFFAOYSA-N,C5H2F6O4,240.06,239.9857275,1.4,74.6,270,0,2,10,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DIETHYL BROMOMALONATE,000685-87-0,69637,diethyl 2-bromopropanedioate,CCOC(=O)C(C(=O)OCC)Br,"InChI=1S/C7H11BrO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3",FNJVDWXUKLTFFL-UHFFFAOYSA-N,C7H11BrO4,239.06,237.98407,1.8,52.6,151,0,0,4,6,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ALUMINUM PHOSPHATE,007784-30-7,64655,aluminum phosphate,[O-]P(=O)([O-])[O-].[Al+3],"InChI=1S/Al.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3",ILRRQNADMUWWFW-UHFFFAOYSA-K,AlO4P,121.953,121.9349589,,86.3,36,0,0,4,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
RHENIUM (VII) OXIDE,001314-68-7,123106,trioxo(trioxorheniooxy)rhenium,O=[Re](=O)(=O)O[Re](=O)(=O)=O,InChI=1S/7O.2Re,NBGOSNNAAHDRLK-UHFFFAOYSA-N,O7Re2,484.41,483.87311,,112,283,0,0,7,0,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
NITROSYL TETRAFLUOROBORATE,014635-75-7,151929,oxoazanium tetrafluoroborate,[B-](F)(F)(F)F.[NH2+]=O,"InChI=1S/BF4.H2NO/c2-1(3,4)5;1-2/h;1H2/q-1;+1",CYLOZTYJBXHMJA-UHFFFAOYSA-N,BF4H2NO,118.83,119.0165565,,42.7,21,0,1,6,0,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRIISOPROPYLSILYL CHLORIDE,013154-24-0,139400,chloro-tri(propan-2-yl)silane,CC(C)[Si](C(C)C)(C(C)C)Cl,"InChI=1S/C9H21ClSi/c1-7(2)11(10,8(3)4)9(5)6/h7-9H,1-6H3",KQIADDMXRMTWHZ-UHFFFAOYSA-N,C9H21ClSi,192.8,192.1101049,,0,97,0,0,0,3,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CHLOROTRIISOBUTYLSILANE,013154-25-1,350907,chloro-tris(2-methylpropyl)silane,CC(C)C[Si](CC(C)C)(CC(C)C)Cl,"InChI=1S/C12H27ClSi/c1-10(2)7-14(13,8-11(3)4)9-12(5)6/h10-12H,7-9H2,1-6H3",TZPZCTBZJKZFGY-UHFFFAOYSA-N,C12H27ClSi,234.88,234.1570551,,0,126,0,0,0,6,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DL-GLYCERALDEHYDE 3-PHOSPHATE FREE ACID,000591-59-3,729,(2-hydroxy-3-oxopropyl) dihydrogen phosphate,C(C(C=O)O)OP(=O)(O)O,"InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)",LXJXRIRHZLFYRP-UHFFFAOYSA-N,C3H7O6P,170.06,169.9980249,-2.7,104,149,0,3,6,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TERT-BUTYLDIETHANOLAMINE,002160-93-2,62430,2-[tert-butyl(2-hydroxyethyl)amino]ethanol,CC(C)(C)N(CCO)CCO,"InChI=1S/C8H19NO2/c1-8(2,3)9(4-6-10)5-7-11/h10-11H,4-7H2,1-3H3",XHJGXOOOMKCJPP-UHFFFAOYSA-N,C8H19NO2,161.24,161.1415788,-0.1,43.7,92,0,2,3,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
OCTADECYLTRICHLOROSILANE,000112-04-9,8157,trichloro(octadecyl)silane,CCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl,"InChI=1S/C18H37Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3",PYJJCSYBSYXGQQ-UHFFFAOYSA-N,C18H37Cl3Si,387.9,386.173011,,0,217,0,0,0,16,22,"193 °F (NFPA, 2010)",380 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"STANNIC CHLORIDE, 5-HYDRATE",010026-06-9,61442,tetrachlorostannane;pentahydrate,O.O.O.O.O.Cl[Sn](Cl)(Cl)Cl,InChI=1S/4ClH.5H2O.Sn/h4*1H;5*1H2;/q;;;;;;;;;+4/p-4,KHMOASUYFVRATF-UHFFFAOYSA-J,Cl4H10O5Sn,350.6,351.827487,,5,19,0,5,5,0,10,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYL BROMOPYRUVATE,000070-23-5,66144,ethyl 3-bromo-2-oxopropanoate,CCOC(=O)C(=O)CBr,"InChI=1S/C5H7BrO3/c1-2-9-5(8)4(7)3-6/h2-3H2,1H3",VICYTAYPKBLQFB-UHFFFAOYSA-N,C5H7BrO3,195.01,193.95786,1.2,43.4,121,0,0,3,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMMONIUM HYDROGEN SULFATE,007803-63-6,24655,azanium hydrogen sulfate,[NH4+].OS(=O)(=O)[O-],"InChI=1S/H3N.H2O4S/c;1-5(2,3)4/h1H3;(H2,1,2,3,4)",BIGPRXCJEDHCLP-UHFFFAOYSA-N,H5NO4S,115.11,114.9939288,,86.8,76,0,2,4,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TETRABUTYLAMMONIUM FLUORIDE TRIHYDRATE,087749-50-6,11726816,tetrabutylazanium;fluoride;trihydrate,CCCC[N+](CCCC)(CCCC)CCCC.O.O.O.[F-],"InChI=1S/C16H36N.FH.3H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;/h5-16H2,1-4H3;1H;3*1H2/q+1;;;;/p-1",VEPTXBCIDSFGBF-UHFFFAOYSA-M,C16H42FNO3,315.51,315.3148724,,3,116,0,3,4,12,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TETRABUTYLAMMONIUM FLUORIDE HYDRATE,022206-57-1,16211673,tetrabutylazanium;fluoride;hydrate,CCCC[N+](CCCC)(CCCC)CCCC.O.[F-],"InChI=1S/C16H36N.FH.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;1H;1H2/q+1;;/p-1",UQCWXKSHRQJGPH-UHFFFAOYSA-M,C16H38FNO,279.48,279.293743,,1,116,0,1,2,12,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TRIDECANAL,010486-19-8,25311,tridecanal,CCCCCCCCCCCCC=O,"InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3",BGEHHAVMRVXCGR-UHFFFAOYSA-N,C13H26O,198.34,198.1983654,5.4,17.1,110,0,0,1,11,14,,132.00 to 136.00 °C. @ 8.00 mm Hg,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"MESO-2,3-DIBROMOSUCCINIC ACID",000526-78-3,95324,"2,3-dibromobutanedioic acid",C(C(C(=O)O)Br)(C(=O)O)Br,"InChI=1S/C4H4Br2O4/c5-1(3(7)8)2(6)4(9)10/h1-2H,(H,7,8)(H,9,10)",FJWGRXKOBIVTFA-UHFFFAOYSA-N,C4H4Br2O4,275.88,275.84558,1,74.6,139,0,2,4,3,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,3-DIBROMOPROPIONIC ACID",000600-05-5,11746,"2,3-dibromopropanoic acid",C(C(C(=O)O)Br)Br,"InChI=1S/C3H4Br2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)",ZMYAKSMZTVWUJB-UHFFFAOYSA-N,C3H4Br2O2,231.87,231.85576,1.4,37.3,73,0,1,2,2,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM OXIDE,001313-59-3,73971,disodium;oxygen(2-),[O-2].[Na+].[Na+],InChI=1S/2Na.O/q2*+1;-2,KKCBUQHMOMHUOY-UHFFFAOYSA-N,Na2O,61.979,61.97445318,,1,0,0,0,1,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
GERMANIUM CHLORIDE,010038-98-9,66226,tetrachlorogermane,Cl[Ge](Cl)(Cl)Cl,"InChI=1S/Cl4Ge/c1-5(2,3)4",IEXRMSFAVATTJX-UHFFFAOYSA-N,Cl4Ge,214.4,215.793638,,0,19,0,0,0,0,5,,,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
SILVER TETRAFLUOROBORATE,014104-20-2,159722,silver tetrafluoroborate,[B-](F)(F)(F)F.[Ag+],"InChI=1S/Ag.BF4/c;2-1(3,4)5/q+1;-1",CCAVYRRHZLAMDJ-UHFFFAOYSA-N,AgBF4,194.68,193.90801,,0,19,0,0,5,0,6,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CHLOROMETHYLPHOSPHONIC DICHLORIDE,001983-26-2,74799,chloro(dichlorophosphoryl)methane,C(P(=O)(Cl)Cl)Cl,"InChI=1S/CH2Cl3OP/c2-1-6(3,4)5/h1H2",FZXSSJIKXCFPDP-UHFFFAOYSA-N,CH2Cl3OP,167.35,165.890885,1.6,17.1,74,0,0,1,1,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
DICHLOROMETHYLOCTYLSILANE,014799-93-0,84649,dichloro-methyl-octylsilane,CCCCCCCC[Si](C)(Cl)Cl,"InChI=1S/C9H20Cl2Si/c1-3-4-5-6-7-8-9-12(2,10)11/h3-9H2,1-2H3",QHBMMABVNRSRHW-UHFFFAOYSA-N,C9H20Cl2Si,227.24,226.0711326,,0,105,0,0,0,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,6-BIS(TRICHLOROSILYL)HEXANE",013083-94-8,83123,trichloro(6-trichlorosilylhexyl)silane,C(CCC[Si](Cl)(Cl)Cl)CC[Si](Cl)(Cl)Cl,"InChI=1S/C6H12Cl6Si2/c7-13(8,9)5-3-1-2-4-6-14(10,11)12/h1-6H2",ICJGKYTXBRDUMV-UHFFFAOYSA-N,C6H12Cl6Si2,353,351.857919,,0,133,0,0,0,5,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,2-BIS(TRICHLOROSILYL)ETHANE",002504-64-5,75631,trichloro(2-trichlorosilylethyl)silane,C(C[Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl,"InChI=1S/C2H4Cl6Si2/c3-9(4,5)1-2-10(6,7)8/h1-2H2",WDVUXWDZTPZIIE-UHFFFAOYSA-N,C2H4Cl6Si2,296.9,295.795319,,0,87,0,0,0,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"DIETHYLENE GLYCOL, DI(3-AMINOPROPYL) ETHER",004246-51-9,20239,3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propan-1-amine,C(CN)COCCOCCOCCCN,InChI=1S/C10H24N2O3/c11-3-1-5-13-7-9-15-10-8-14-6-2-4-12/h1-12H2,JCEZOHLWDIONSP-UHFFFAOYSA-N,C10H24N2O3,220.31,220.1786926,-1.4,79.7,103,0,2,5,12,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
2-AMINOETHYL DIHYDROGEN PHOSPHATE,001071-23-4,1015,2-aminoethyl dihydrogen phosphate,C(COP(=O)(O)O)N,"InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)",SUHOOTKUPISOBE-UHFFFAOYSA-N,C2H8NO4P,141.06,141.0190947,-4.8,92.8,98,0,3,5,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"SULFURIC ACID, FUMING",008014-95-7,24681,sulfuric acid;sulfur trioxide,OS(=O)(=O)O.O=S(=O)=O,"InChI=1S/H2O4S.O3S/c1-5(2,3)4;1-4(2)3/h(H2,1,2,3,4);",HIFJUMGIHIZEPX-UHFFFAOYSA-N,H2O7S2,178.15,177.9241948,,135,143,0,2,7,0,9,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COPPER(I) NITRIDE,001308-80-1,56841037,azanide;copper;copper(1+),[NH2-].[Cu].[Cu].[Cu+],InChI=1S/3Cu.H2N/h;;;1H2/q;;+1;-1,DOIHHHHNLGDDRE-UHFFFAOYSA-N,Cu3H2N,206.66,206.80571,,1,3,0,1,1,0,4,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
PIMELOYL CHLORIDE,000142-79-0,67341,heptanedioyl dichloride,C(CCC(=O)Cl)CCC(=O)Cl,InChI=1S/C7H10Cl2O2/c8-6(10)4-2-1-3-5-7(9)11/h1-5H2,LVIMBOHJGMDKEJ-UHFFFAOYSA-N,C7H10Cl2O2,197.06,196.0057849,2.4,34.1,129,0,0,2,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,1,1-TRIMETHYL-N-(TRIMETHYLSILYL)SILANAMINE POTASSIUM SALT",040949-94-8,3251421,potassium bis(trimethylsilyl)azanide,C[Si](C)(C)[N-][Si](C)(C)C.[K+],"InChI=1S/C6H18NSi2.K/c1-8(2,3)7-9(4,5)6;/h1-6H3;/q-1;+1",IUBQJLUDMLPAGT-UHFFFAOYSA-N,C6H18KNSi2,199.48,199.0614841,,1,80,0,0,1,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ETHYL 2-HYDROXYETHYL SULFIDE,000110-77-0,8075,2-ethylsulfanylethanol,CCSCCO,"InChI=1S/C4H10OS/c1-2-6-4-3-5/h5H,2-4H2,1H3",LNRIEBFNWGMXKP-UHFFFAOYSA-N,C4H10OS,106.19,106.0452361,0.6,45.5,23,0,1,2,3,6,,184.5 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRIGLYCINE,000556-33-2,11161,2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetic acid,C(C(=O)NCC(=O)NCC(=O)O)N,"InChI=1S/C6H11N3O4/c7-1-4(10)8-2-5(11)9-3-6(12)13/h1-3,7H2,(H,8,10)(H,9,11)(H,12,13)",XKUKSGPZAADMRA-UHFFFAOYSA-N,C6H11N3O4,189.17,189.0749558,-3.6,122,216,0,4,5,5,13,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"N,N'-BIS(2-HYDROXYETHYL)ETHYLENEDIAMINE",004439-20-7,78179,2-[2-(2-hydroxyethylamino)ethylamino]ethanol,C(CNCCO)NCCO,"InChI=1S/C6H16N2O2/c9-5-3-7-1-2-8-4-6-10/h7-10H,1-6H2",GFIWSSUBVYLTRF-UHFFFAOYSA-N,C6H16N2O2,148.2,148.1211778,-1.9,64.5,53,0,4,4,7,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRICHLOROMETHANESULFONYL CHLORIDE,002547-61-7,75684,trichloromethanesulfonyl chloride,C(S(=O)(=O)Cl)(Cl)(Cl)Cl,"InChI=1S/CCl4O2S/c2-1(3,4)8(5,6)7",ZCPSWAFANXCCOT-UHFFFAOYSA-N,CCl4O2S,217.9,217.834361,2.3,42.5,157,0,0,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BROMOACETYL BROMIDE,000598-21-0,61147,2-bromoacetyl bromide,C(C(=O)Br)Br,InChI=1S/C2H2Br2O/c3-1-2(4)5/h1H2,LSTRKXWIZZZYAS-UHFFFAOYSA-N,C2H2Br2O,201.84,201.84519,1.6,17.1,42,0,0,1,1,5,,"298 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
BISMUTH(III) FLUORIDE,007787-61-3,82233,trifluorobismuthane,F[Bi](F)F,InChI=1S/Bi.3FH/h;3*1H/q+3;;;/p-3,BRCWHGIUHLWZBK-UHFFFAOYSA-K,BiF3,265.97561,265.97561,,0,8,0,0,3,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DISODIUM N-LAURYL-B-IMINO DIPROPIONATE,003655-00-3,19294,disodium;3-[2-carboxylatoethyl(dodecyl)amino]propanoate,CCCCCCCCCCCCN(CCC(=O)[O-])CCC(=O)[O-].[Na+].[Na+],"InChI=1S/C18H35NO4.2Na/c1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17(20)21)16-13-18(22)23;;/h2-16H2,1H3,(H,20,21)(H,22,23);;/q;2*+1/p-2",KSDGSKVLUHKDAL-UHFFFAOYSA-L,C18H33NNa2O4,373.4,373.2204971,,83.5,278,0,0,5,15,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
BRIJ 92,039464-69-2,93217,2-octadec-9-enoxyethanol;phosphoric acid,CCCCCCCCC=CCCCCCCCCOCCO.OP(=O)(O)O,"InChI=1S/C20H40O2.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21;1-5(2,3)4/h9-10,21H,2-8,11-20H2,1H3;(H3,1,2,3,4)",IPHYGCMVLYWKLM-UHFFFAOYSA-N,C20H43O6P,410.5,410.2797261,,107,264,0,4,6,18,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
MOLYBDENUM DICHLORIDE DIOXIDE,013637-68-8,139520,dioxomolybdenum;dihydrochloride,O=[Mo]=O.Cl.Cl,InChI=1S/2ClH.Mo.2O/h2*1H;;;,ASLHVQCNFUOEEN-UHFFFAOYSA-N,Cl2H2MoO2,200.87,201.848588,,34.1,23,0,2,2,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"N,N'-BIS(2-AMINOETHYL)-1,3-PROPANEDIAMINE",004741-99-5,78479,"N,N'-bis(2-aminoethyl)propane-1,3-diamine",C(CNCCN)CNCCN,"InChI=1S/C7H20N4/c8-2-6-10-4-1-5-11-7-3-9/h10-11H,1-9H2",UWMHHZFHBCYGCV-UHFFFAOYSA-N,C7H20N4,160.26,160.1687967,-2.2,76.1,59,0,4,4,8,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DIETHYLPHOSPHATOETHYLTRIETHOXYSILANE,000757-44-8,69792,2-diethoxyphosphorylethyl(triethoxy)silane,CCO[Si](CCP(=O)(OCC)OCC)(OCC)OCC,"InChI=1S/C12H29O6PSi/c1-6-14-19(13,15-7-2)11-12-20(16-8-3,17-9-4)18-10-5/h6-12H2,1-5H3",RGAHQVPQZZNNOV-UHFFFAOYSA-N,C12H29O6PSi,328.41,328.1471022,,63.2,262,0,0,6,13,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,7,-DICHLORO-1,1,3,3,5,5,7,7-OCTAMETHYLTETRASILOXANE",002474-02-4,75584,chloro-[[[chloro(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane,C[Si](C)(O[Si](C)(C)O[Si](C)(C)Cl)O[Si](C)(C)Cl,"InChI=1S/C8H24Cl2O3Si4/c1-14(2,9)11-16(5,6)13-17(7,8)12-15(3,4)10/h1-8H3",UHRAUGIQJXURFE-UHFFFAOYSA-N,C8H24Cl2O3Si4,351.52,350.0179561,,27.7,245,0,0,3,6,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
10-UNDECENOYL CHLORIDE,038460-95-6,38042,undec-10-enoyl chloride,C=CCCCCCCCCC(=O)Cl,"InChI=1S/C11H19ClO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2",MZFGYVZYLMNXGL-UHFFFAOYSA-N,C11H19ClO,202.72,202.1124429,4.8,17.1,143,0,0,1,9,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
MOLYBDENUM (V) CHLORIDE,010241-05-1,61497,pentachloromolybdenum,Cl[Mo](Cl)(Cl)(Cl)Cl,InChI=1S/5ClH.Mo/h5*1H;/q;;;;;+5/p-5,GICWIDZXWJGTCI-UHFFFAOYSA-I,Cl5Mo,273.2,274.746717,,0,37,0,0,0,0,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
MONO-N-DODECYLPHOSPHATE,002627-35-2,75816,dodecyl dihydrogen phosphate,CCCCCCCCCCCCOP(=O)(O)O,"InChI=1S/C12H27O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H2,13,14,15)",TVACALAUIQMRDF-UHFFFAOYSA-N,C12H27O4P,266.31,266.1646963,4,66.8,203,0,2,4,12,17,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
HEPTANOIC ANHYDRIDE,000626-27-7,69376,heptanoyl heptanoate,CCCCCCC(=O)OC(=O)CCCCCC,"InChI=1S/C14H26O3/c1-3-5-7-9-11-13(15)17-14(16)12-10-8-6-4-2/h3-12H2,1-2H3",DAPZDAPTZFJZTO-UHFFFAOYSA-N,C14H26O3,242.35,242.1881947,4.8,43.4,190,0,0,3,12,17,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
SILICON TETRAACETATE,000562-90-3,68419,triacetyloxysilyl acetate,CC(=O)O[Si](OC(=O)C)(OC(=O)C)OC(=O)C,"InChI=1S/C8H12O8Si/c1-5(9)13-17(14-6(2)10,15-7(3)11)16-8(4)12/h1-4H3",YZVRVDPMGYFCGL-UHFFFAOYSA-N,C8H12O8Si,264.26,264.0301439,,105,280,0,0,8,8,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
VANADIUM TRIBROMIDE,013470-26-3,83509,tribromovanadium,[V](Br)(Br)Br,InChI=1S/3BrH.V/h3*1H;/q;;;+3/p-3,ZOYIPGHJSALYPY-UHFFFAOYSA-K,Br3V,290.65,289.69692,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
HEXAFLUOROPHOSPHORIC ACID,016940-81-1,16211447,hydron hexafluorophosphate,[H+].F[P-](F)(F)(F)(F)F,"InChI=1S/F6P/c1-7(2,3,4,5)6/q-1/p+1",LJQLCJWAZJINEB-UHFFFAOYSA-O,F6HP,145.9722,145.972006,,0,62,0,1,7,0,7,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM TRIMETHYLSILANOLATE,018027-10-6,23672319,sodium trimethyl(oxido)silane,C[Si](C)(C)[O-].[Na+],"InChI=1S/C3H9OSi.Na/c1-5(2,3)4;/h1-3H3;/q-1;+1",HSNUIYJWTSJUMS-UHFFFAOYSA-N,C3H9NaOSi,112.18,112.0320357,,23.1,32,0,0,1,0,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRIS(2-[2-METHOXYETHOXY]ETHYL)AMINE,070384-51-9,112414,"2-(2-methoxyethoxy)-N,N-bis[2-(2-methoxyethoxy)ethyl]ethanamine",COCCOCCN(CCOCCOC)CCOCCOC,"InChI=1S/C15H33NO6/c1-17-10-13-20-7-4-16(5-8-21-14-11-18-2)6-9-22-15-12-19-3/h4-15H2,1-3H3",XGLVDUUYFKXKPL-UHFFFAOYSA-N,C15H33NO6,323.43,323.2307878,-0.6,58.6,175,0,0,7,18,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PERFLUORODODECANOIC ACID,000307-55-1,67545,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoic acid",C(=O)(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C12HF23O2/c13-2(14,1(36)37)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35/h(H,36,37)",CXGONMQFMIYUJR-UHFFFAOYSA-N,C12HF23O2,614.1,613.960927,7.6,37.3,879,0,1,25,10,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
RUTHENIUM (III) NITROSYL CHLORIDE TRIHYDRATE,032535-76-5,16212639,nitroxyl anion;trichlororuthenium;hydrate,[N-]=O.O.Cl[Ru](Cl)Cl,InChI=1S/3ClH.NO.H2O.Ru/c;;;1-2;;/h3*1H;;1H2;/q;;;-1;;+3/p-3,PFZDHODAFLQGCU-UHFFFAOYSA-K,Cl3H2NO2Ru-,255.4,254.819452,,19.1,22,-1,1,3,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-(TRICHLOROSILYL)ETHYL ACETATE,018204-80-3,87509,2-trichlorosilylethyl acetate,CC(=O)OCC[Si](Cl)(Cl)Cl,"InChI=1S/C4H7Cl3O2Si/c1-4(8)9-2-3-10(5,6)7/h2-3H2,1H3",DPFKBFAYVWIVRK-UHFFFAOYSA-N,C4H7Cl3O2Si,221.54,219.928089,,26.3,122,0,0,2,3,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
LITHIUM METASILICATE WITH QUARTZ,010102-24-6,66243,dilithium;dioxido(oxo)silane,[Li+].[Li+].[O-][Si](=O)[O-],InChI=1S/2Li.O3Si/c;;1-4(2)3/q2*+1;-2,PAZHGORSDKKUPI-UHFFFAOYSA-N,Li2O3Si,90,89.99367726,,63.2,18,0,0,3,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIISOPROPYLMETHYLPHOSPHONAMIDIC CHLORIDE",086030-43-5,4574914,N-[chloro(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine,CC(C)N(C(C)C)P(OC)Cl,"InChI=1S/C7H17ClNOP/c1-6(2)9(7(3)4)11(8)10-5/h6-7H,1-5H3",VOVWQRQDSCYAEA-UHFFFAOYSA-N,C7H17ClNOP,197.64,197.0736289,2.6,12.5,103,0,0,2,4,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"TRIS-(2-CARBOXYETHYL)PHOSPHINE, HYDROCHLORIDE",051805-45-9,2734570,3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;hydrochloride,C(CP(CCC(=O)O)CCC(=O)O)C(=O)O.Cl,"InChI=1S/C9H15O6P.ClH/c10-7(11)1-4-16(5-2-8(12)13)6-3-9(14)15;/h1-6H2,(H,10,11)(H,12,13)(H,14,15);1H",PBVAJRFEEOIAGW-UHFFFAOYSA-N,C9H16ClO6P,286.64,286.0373029,,112,222,0,4,6,9,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TIN(II) TRIFLUOROMETHANESULFONATE,062086-04-8,2776843,tin(2+);bis(trifluoromethanesulfonate),C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Sn+2],"InChI=1S/2CHF3O3S.Sn/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2",RBGLVWCAGPITBS-UHFFFAOYSA-L,C2F6O6S2Sn,416.9,417.806252,,131,145,0,0,12,0,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DIMETHYL BROMOMALONATE,000868-26-8,70087,dimethyl 2-bromopropanedioate,COC(=O)C(C(=O)OC)Br,"InChI=1S/C5H7BrO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3",NEMOJKROKMMQBQ-UHFFFAOYSA-N,C5H7BrO4,211.01,209.95277,1,52.6,129,0,0,4,4,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TITANIUM(IV) IODIDE,007720-83-4,111328,tetraiodotitanium,[Ti](I)(I)(I)I,InChI=1S/4HI.Ti/h4*1H;/q;;;;+4/p-4,NLLZTRMHNHVXJJ-UHFFFAOYSA-J,I4Ti,555.485,555.5658,,0,19,0,0,0,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
GOLD(I) CHLORIDE,010294-29-8,27366,chlorogold,Cl[Au],InChI=1S/Au.ClH/h;1H/q+1;/p-1,FDWREHZXQUYJFJ-UHFFFAOYSA-M,AuCl,232.42,231.935423,,0,2,0,0,0,0,2,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
PENTADECAFLUOROOCTANOYL CHLORIDE,000335-64-8,78978,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl chloride",C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cl,"InChI=1S/C8ClF15O/c9-1(25)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24",AQQBRCXWZZAFOK-UHFFFAOYSA-N,C8ClF15O,432.51,431.9398147,5.9,17.1,532,0,0,16,6,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DI-N-HEPTYLAMINE,002470-68-0,75580,N-heptylheptan-1-amine,CCCCCCCNCCCCCCC,"InChI=1S/C14H31N/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h15H,3-14H2,1-2H3",NJWMENBYMFZACG-UHFFFAOYSA-N,C14H31N,213.4,213.24565,5.5,12,89,0,1,1,12,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
LITHIUM-6 HYDROXIDE HYDRATE,209337-05-3,71311290,lithium-6(1+);hydroxide;hydrate,[6Li+].O.[OH-],InChI=1S/Li.2H2O/h;2*1H2/q+1;;/p-1/i1-1;;,GLXDVVHUTZTUQK-TWOSSSAOSA-M,H3LiO2,41.038,41.02842722,,2,2,0,2,2,0,3,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM HYDROXIDE MONOHYDRATE,012179-02-1,23719242,sodium;hydroxide;hydrate,O.[OH-].[Na+],InChI=1S/Na.2H2O/h;2*1H2/q+1;;/p-1,JBJWASZNUJCEKT-UHFFFAOYSA-M,H3NaO2,58.012,58.00307362,,2,2,0,2,2,0,3,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
METHYLENEBIS(PHOSPHONIC DICHLORIDE),001499-29-2,5063078,bis(dichlorophosphoryl)methane,C(P(=O)(Cl)Cl)P(=O)(Cl)Cl,"InChI=1S/CH2Cl4O2P2/c2-8(3,6)1-9(4,5)7/h1H2",VRXYCDTWIOCJBH-UHFFFAOYSA-N,CH2Cl4O2P2,249.8,249.825464,1.8,34.1,157,0,0,2,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"GALLIUM (III) IODIDE, ANHYDROUS, POWDER",013450-91-4,83478,triiodogallane,[Ga](I)(I)I,InChI=1S/Ga.3HI/h;3*1H/q+3;;;/p-3,DWRNSCDYNYYYHT-UHFFFAOYSA-K,GaI3,450.436,449.639,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,1,1,0,0
NITRONIUM TETRAFLUOROBORATE,013826-86-3,11073463,nitronium tetrafluoroborate,[B-](F)(F)(F)F.[N+](=O)=O,"InChI=1S/BF4.NO2/c2-1(3,4)5;2-1-3/q-1;+1",RGVZMPONLYFINH-UHFFFAOYSA-N,BF4NO2,132.81,132.9958211,,35.1,37,0,0,7,0,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,1,0,0
"3,3,3-TRIFLUOROPROPIONIC ACID",002516-99-6,2777972,"3,3,3-trifluoropropanoic acid",C(C(=O)O)C(F)(F)F,"InChI=1S/C3H3F3O2/c4-3(5,6)1-2(7)8/h1H2,(H,7,8)",KSNKQSPJFRQSEI-UHFFFAOYSA-N,C3H3F3O2,128.05,128.0085138,0.8,37.3,95,0,1,5,1,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
N-OCTYLDIISOPROPYLCHLOROSILANE,117559-37-2,4453620,chloro-octyl-di(propan-2-yl)silane,CCCCCCCC[Si](C(C)C)(C(C)C)Cl,"InChI=1S/C14H31ClSi/c1-6-7-8-9-10-11-12-16(15,13(2)3)14(4)5/h13-14H,6-12H2,1-5H3",SALITQCKMBTLPL-UHFFFAOYSA-N,C14H31ClSi,262.93,262.1883552,,0,158,0,0,0,9,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
GERMANIUM(IV) BROMIDE,013450-92-5,26011,tetrabromogermane,[Ge](Br)(Br)(Br)Br,"InChI=1S/Br4Ge/c1-5(2,3)4",VJHDVMPJLLGYBL-UHFFFAOYSA-N,Br4Ge,392.25,393.59043,,0,19,0,0,0,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TERT-BUTYLPHOSPHONIC ACID,004923-84-6,312546,tert-butylphosphonic acid,CC(C)(C)P(=O)(O)O,"InChI=1S/C4H11O3P/c1-4(2,3)8(5,6)7/h1-3H3,(H2,5,6,7)",OGDSVONAYZTTDA-UHFFFAOYSA-N,C4H11O3P,138.1,138.0445812,-0.6,57.5,118,0,2,3,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ZINC BROMIDE DIHYDRATE,018921-13-6,16217081,dibromozinc;dihydrate,O.O.[Zn](Br)Br,InChI=1S/2BrH.2H2O.Zn/h2*1H;2*1H2;/q;;;;+2/p-2,NSGOPMOPSWFFLF-UHFFFAOYSA-L,Br2H4O2Zn,261.2,259.7849,,2,2,0,2,2,0,5,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
ZINC TRIFLUOROMETHANESULFONATE,054010-75-2,104671,zinc bis(trifluoromethanesulfonate),C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Zn+2],"InChI=1S/2CHF3O3S.Zn/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2",CITILBVTAYEWKR-UHFFFAOYSA-L,C2F6O6S2Zn,363.5,361.833191,,131,145,0,0,12,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"N,N-DIMETHYL-3-(TRIMETHOXYSILYL)PROPYLAMINE",002530-86-1,75668,"N,N-dimethyl-3-trimethoxysilylpropan-1-amine",CN(C)CCC[Si](OC)(OC)OC,"InChI=1S/C8H21NO3Si/c1-9(2)7-6-8-13(10-3,11-4)12-5/h6-8H2,1-5H3",QIOYHIUHPGORLS-UHFFFAOYSA-N,C8H21NO3Si,207.34,207.1290701,,30.9,120,0,0,4,7,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
TRIS(3-AMINOPROPYL)AMINE,004963-47-7,547030,"N',N'-bis(3-aminopropyl)propane-1,3-diamine",C(CN)CN(CCCN)CCCN,InChI=1S/C9H24N4/c10-4-1-7-13(8-2-5-11)9-3-6-12/h1-12H2,QMXSDTGNCZVWTB-UHFFFAOYSA-N,C9H24N4,188.31,188.2000968,-1.5,81.3,78,0,3,4,9,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-(AMINOMETHYL)-2-METHYL-1,3-PROPANEDIAMINE",015995-42-3,4526530,"2-(aminomethyl)-2-methylpropane-1,3-diamine",CC(CN)(CN)CN,"InChI=1S/C5H15N3/c1-5(2-6,3-7)4-8/h2-4,6-8H2,1H3",UGDSCHVVUPHIFM-UHFFFAOYSA-N,C5H15N3,117.19,117.1265975,-1.9,78.1,50,0,3,3,3,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1H,1H-HEPTAFLUOROBUTYLAMINE",000374-99-2,67807,"2,2,3,3,4,4,4-heptafluorobutan-1-amine",C(C(C(C(F)(F)F)(F)F)(F)F)N,"InChI=1S/C4H4F7N/c5-2(6,1-12)3(7,8)4(9,10)11/h1,12H2",WBGBQSRNXPVFDB-UHFFFAOYSA-N,C4H4F7N,199.07,199.0231963,1.7,26,159,0,1,8,2,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRIBROMOACETIC ACID,000075-96-7,6415,"2,2,2-tribromoacetic acid",C(=O)(C(Br)(Br)Br)O,"InChI=1S/C2HBr3O2/c3-2(4,5)1(6)7/h(H,6,7)",QIONYIKHPASLHO-UHFFFAOYSA-N,C2HBr3O2,296.74,295.75062,2.2,37.3,83,0,1,2,0,7,,245 °C (decomposition),0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,2-BIS(DICHLOROMETHYLSILYL)ETHANE",003353-69-3,76881,dichloro-[2-[dichloro(methyl)silyl]ethyl]-methylsilane,C[Si](CC[Si](C)(Cl)Cl)(Cl)Cl,"InChI=1S/C4H10Cl4Si2/c1-9(5,6)3-4-10(2,7)8/h3-4H2,1-2H3",VFURVLVRHAMJKG-UHFFFAOYSA-N,C4H10Cl4Si2,256.1,255.904564,,0,99,0,0,0,3,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
AZELAOYL CHLORIDE,000123-98-8,67165,nonanedioyl dichloride,C(CCCC(=O)Cl)CCCC(=O)Cl,InChI=1S/C9H14Cl2O2/c10-8(12)6-4-2-1-3-5-7-9(11)13/h1-7H2,HGEVGSTXQGZPCL-UHFFFAOYSA-N,C9H14Cl2O2,225.11,224.0370851,3.5,34.1,151,0,0,2,8,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
5-HEXYNOIC ACID,053293-00-8,143036,hex-5-ynoic acid,C#CCCCC(=O)O,"InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h1H,3-5H2,(H,7,8)",VPFMEXRVUOPYRG-UHFFFAOYSA-N,C6H8O2,112.13,112.0524295,0.7,37.3,118,0,1,2,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
R(-)-1-AMINO-2-PROPANOL,002799-16-8,439938,(2R)-1-aminopropan-2-ol,C[C@H](CN)O,"InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/t3-/m1/s1",HXKKHQJGJAFBHI-GSVOUGTGSA-N,C3H9NO,75.11,75.06841391,-1,46.3,22,0,2,2,1,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"N'-METHYL-2,2'-DIAMINODIETHYLAMINE",004097-88-5,430288,"N'-(2-aminoethyl)-N'-methylethane-1,2-diamine",CN(CCN)CCN,"InChI=1S/C5H15N3/c1-8(4-2-6)5-3-7/h2-7H2,1H3",HYSQEYLBJYFNMH-UHFFFAOYSA-N,C5H15N3,117.19,117.1265975,-1.4,55.3,40,0,2,3,4,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"N' ' '-TERT-BUTYL-N,N,N',N',N' ',N' '-HEXAMETHYLPHOSPHORIMIDIC TRIAMIDE",081675-81-2,4195269,N-[tert-butylimino-bis(dimethylamino)-lambda5-phosphanyl]-N-methylmethanamine,CC(C)(C)N=P(N(C)C)(N(C)C)N(C)C,"InChI=1S/C10H27N4P/c1-10(2,3)11-15(12(4)5,13(6)7)14(8)9/h1-9H3",YRNOSHBJMBLOSL-UHFFFAOYSA-N,C10H27N4P,234.32,234.1973339,1.7,22.1,222,0,0,4,4,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"N,N,N',N',N' ',N' '-HEXAMETHYLPHOSPHORIMIDICTRIAMIDE",049778-01-0,4349627,N-[bis(dimethylamino)phosphinimyl]-N-methylmethanamine,CN(C)P(=N)(N(C)C)N(C)C,"InChI=1S/C6H19N4P/c1-8(2)11(7,9(3)4)10(5)6/h7H,1-6H3",GKTNLYAAZKKMTQ-UHFFFAOYSA-N,C6H19N4P,178.22,178.1347336,1.4,33.6,135,0,1,4,3,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-HYDROXY-N,N,N-TRIMETHYLETHANAMINIUM HYDROXIDE",000123-41-1,31255,2-hydroxyethyl(trimethyl)azanium hydroxide,C[N+](C)(C)CCO.[OH-],"InChI=1S/C5H14NO.H2O/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H2/q+1;/p-1",KIZQNNOULOCVDM-UHFFFAOYSA-M,C5H15NO2,121.18,121.1102787,,21.2,46,0,2,2,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
4-METHYL-2-OXOVALERIC ACID,000816-66-0,70,4-methyl-2-oxopentanoic acid,CC(C)CC(=O)C(=O)O,"InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)",BKAJNAXTPSGJCU-UHFFFAOYSA-N,C6H10O3,130.14,130.0629942,0.9,54.4,126,0,1,3,3,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
METHYL 4-CHLORO-4-OXOBUTYRATE,001490-25-1,73888,methyl 4-chloro-4-oxobutanoate,COC(=O)CCC(=O)Cl,"InChI=1S/C5H7ClO3/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3",SRXOJMOGPYFZKC-UHFFFAOYSA-N,C5H7ClO3,150.56,150.0083718,1,43.4,121,0,0,3,4,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
N-METHYL-1-OCTANAMINE,002439-54-5,75538,N-methyloctan-1-amine,CCCCCCCCNC,"InChI=1S/C9H21N/c1-3-4-5-6-7-8-9-10-2/h10H,3-9H2,1-2H3",SEGJNMCIMOLEDM-UHFFFAOYSA-N,C9H21N,143.27,143.1673997,3.7,12,52,0,1,1,7,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-PROPANESULFONIC ACID,005284-66-2,78938,propane-1-sulfonic acid,CCCS(=O)(=O)O,"InChI=1S/C3H8O3S/c1-2-3-7(4,5)6/h2-3H2,1H3,(H,4,5,6)",KCXFHTAICRTXLI-UHFFFAOYSA-N,C3H8O3S,124.16,124.0194153,0,62.8,118,0,1,3,2,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PHOSPHOROUS TRIIODIDE,013455-01-1,83485,triiodophosphane,P(I)(I)I,InChI=1S/I3P/c1-4(2)3,PZHNNJXWQYFUTD-UHFFFAOYSA-N,I3P,411.6872,411.6872,2.5,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
INDIUM BROMIDE (INBR3),013465-09-3,26046,tribromoindigane,Br[In](Br)Br,InChI=1S/3BrH.In/h3*1H;/q;;;+3/p-3,JKNHZOAONLKYQL-UHFFFAOYSA-K,Br3In,354.53,353.65684,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIIODOBORANE,013517-10-7,83546,triiodoborane,B(I)(I)I,InChI=1S/BI3/c2-1(3)4,YMEKEHSRPZAOGO-UHFFFAOYSA-N,BI3,391.53,391.7227,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRICHLORODECYLSILANE,013829-21-5,83764,trichloro(decyl)silane,CCCCCCCCCC[Si](Cl)(Cl)Cl,"InChI=1S/C10H21Cl3Si/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3",HLWCOIUDOLYBGD-UHFFFAOYSA-N,C10H21Cl3Si,275.7,274.04781,,0,123,0,0,0,8,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-METHYL-(E)-2-PENTENOIC ACID,016957-70-3,5365909,(E)-2-methylpent-2-enoic acid,CC/C=C(\C)/C(=O)O,"InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4+",JJYWRQLLQAKNAD-SNAWJCMRSA-N,C6H10O2,114.14,114.0680796,1.4,37.3,114,0,1,2,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
(2H)HYDROGEN IODIDE,014104-45-1,123337,,[1H]I,InChI=1S/HI/h1H/i/hH,XMBWDFGMSWQBCA-FTGQXOHASA-N,HI,127.9123,127.9123,0.9,0,0,0,1,0,0,1,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BIS(2,4,4-TRIMETHYLPENTYL)PHOSPHINOTHIOIC ACID",132767-86-3,6913890,"hydroxy-sulfanylidene-bis(2,4,4-trimethylpentyl)-lambda5-phosphane",CC(CC(C)(C)C)CP(=S)(CC(C)CC(C)(C)C)O,"InChI=1S/C16H35OPS/c1-13(9-15(3,4)5)11-18(17,19)12-14(2)10-16(6,7)8/h13-14H,9-12H2,1-8H3,(H,17,19)",KUYLHALFMPOMKK-UHFFFAOYSA-N,C16H35OPS,306.5,306.2146239,6.4,52.3,284,0,1,2,8,19,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PHOSPHAZENE BASE P(2) - ET,165535-45-5,3393106,N-[dimethylamino-ethylimino-[[tris(dimethylamino)-lambda5-phosphanylidene]amino]-lambda5-phosphanyl]-N-methylmethanamine,CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C,"InChI=1S/C12H35N7P2/c1-12-13-20(15(2)3,16(4)5)14-21(17(6)7,18(8)9)19(10)11/h12H2,1-11H3",CFUKEHPEQCSIOM-UHFFFAOYSA-N,C12H35N7P2,339.4,339.2429181,1.8,40.9,387,0,0,7,7,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"N,N'-dibutyl-1,6-Hexanediamine",004835-11-4,20972,"N,N'-dibutylhexane-1,6-diamine",CCCCNCCCCCCNCCCC,"InChI=1S/C14H32N2/c1-3-5-11-15-13-9-7-8-10-14-16-12-6-4-2/h15-16H,3-14H2,1-2H3",VZRUGPJUVWRHKM-UHFFFAOYSA-N,C14H32N2,228.42,228.256549,3.3,24.1,101,0,2,2,13,16,,"399.2 °F at 760 mmHg (EPA, 1998)",0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
(R)-(-)-2-AMINO-1-PROPANOL,035320-23-1,80308,(2R)-2-aminopropan-1-ol,C[C@H](CO)N,"InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m1/s1",BKMMTJMQCTUHRP-GSVOUGTGSA-N,C3H9NO,75.11,75.06841391,-1,46.3,22,0,2,2,1,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
1-BUTYLPHOSPHONIC ACID,003321-64-0,76839,butylphosphonic acid,CCCCP(=O)(O)O,"InChI=1S/C4H11O3P/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H2,5,6,7)",UOKRBSXOBUKDGE-UHFFFAOYSA-N,C4H11O3P,138.1,138.0445812,-0.3,57.5,95,0,2,3,3,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DIETHYL ACETYLENEDICARBOXYLATE,000762-21-0,69803,diethyl but-2-ynedioate,CCOC(=O)C#CC(=O)OCC,"InChI=1S/C8H10O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-4H2,1-2H3",STRNXFOUBFLVIN-UHFFFAOYSA-N,C8H10O4,170.16,170.0579088,1.5,52.6,208,0,0,4,4,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
NICKEL TETRAFLUOROBORATE HEXAHYDRATE,015684-36-3,177615,nickel(2+);ditetrafluoroborate;hexahydrate,[B-](F)(F)(F)F.[B-](F)(F)(F)F.O.O.O.O.O.O.[Ni+2],"InChI=1S/2BF4.Ni.6H2O/c2*2-1(3,4)5;;;;;;;/h;;;6*1H2/q2*-1;+2;;;;;;",BFFWGFMAXHCLDV-UHFFFAOYSA-N,B2F8H12NiO6,340.4,340.004565,,6,19,0,6,16,0,17,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,0
N-ACETYLETHYLENEDIAMINE,001001-53-2,66082,N-(2-aminoethyl)acetamide,CC(=O)NCCN,"InChI=1S/C4H10N2O/c1-4(7)6-3-2-5/h2-3,5H2,1H3,(H,6,7)",DAKZISABEDGGSV-UHFFFAOYSA-N,C4H10N2O,102.14,102.0793129,-1.4,55.1,62,0,2,2,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM TETRACHLOROALUMINATE,007784-16-9,16699350,sodium tetrachloroalumanuide,[Na+].[Al-](Cl)(Cl)(Cl)Cl,InChI=1S/Al.4ClH.Na/h;4*1H;/q+3;;;;;+1/p-4,CMLRNXGMTZKKSR-UHFFFAOYSA-J,AlCl4Na,191.8,191.843768,,0,19,0,0,1,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4,4,4-TRIFLUOROBUTYRIC ACID",000406-93-9,2777085,"4,4,4-trifluorobutanoic acid",C(CC(F)(F)F)C(=O)O,"InChI=1S/C4H5F3O2/c5-4(6,7)2-1-3(8)9/h1-2H2,(H,8,9)",WTUCTMYLCMVYEX-UHFFFAOYSA-N,C4H5F3O2,142.08,142.0241639,1.2,37.3,107,0,1,5,2,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
MAGNESIUM TRIFLUOROMETHANESULFONATE,060871-83-2,2734125,magnesium bis(trifluoromethanesulfonate),C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Mg+2],"InChI=1S/2CHF3O3S.Mg/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2",BZQRBEVTLZHKEA-UHFFFAOYSA-L,C2F6MgO6S2,322.4,321.8890907,,131,145,0,0,12,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
RUBIDIUM HYDROXIDE HYDRATE,012026-05-0,16212572,rubidium(1+);hydroxide;hydrate,O.[OH-].[Rb+],InChI=1S/2H2O.Rb/h2*1H2;/q;;+1/p-1,CHAWVFWLJTUJNI-UHFFFAOYSA-M,H3O2Rb,120.491,119.9250941,,2,2,0,2,2,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ALUMINUM TRIFLUOROMETHANESULFONATE,074974-61-1,2737634,aluminum tris(trifluoromethanesulfonate),C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Al+3],"InChI=1S/3CHF3O3S.Al/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3",FKOASGGZYSYPBI-UHFFFAOYSA-K,C3AlF9O9S3,474.2,473.837612,,197,145,0,0,18,0,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRIHEXYLTETRADECYLPHOSPHONIUM DECANOATE,465527-65-5,16213695,decanoate;trihexyl(tetradecyl)phosphanium,CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.CCCCCCCCCC(=O)[O-],"InChI=1S/C32H68P.C10H20O2/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;1-2-3-4-5-6-7-8-9-10(11)12/h5-32H2,1-4H3;2-9H2,1H3,(H,11,12)/q+1;/p-1",HQIPXXNWLGIFAY-UHFFFAOYSA-M,C42H87O2P,655.1,654.644369,,40.1,424,0,0,2,35,45,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM BISNONAFLUORO-1-BUTANESULFONIMIDATE,129135-87-1,11319533,"potassium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide",C(C(C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F.[K+],"InChI=1S/C8F18NO4S2.K/c9-1(10,5(17,18)19)3(13,14)7(23,24)32(28,29)27-33(30,31)8(25,26)4(15,16)2(11,12)6(20,21)22;/q-1;+1",XESFGOBWYAMCMB-UHFFFAOYSA-N,C8F18KNO4S2,619.3,618.8618382,,86,876,0,0,23,8,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANETHIOL, SODIUM SALT",000811-51-8,4459711,sodium ethanethiolate,CC[S-].[Na+],"InChI=1S/C2H6S.Na/c1-2-3;/h3H,2H2,1H3;/q;+1/p-1",QJDUDPQVDAASMV-UHFFFAOYSA-M,C2H5NaS,84.12,84.00096561,,1,6,0,0,1,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
IRON (II) TRIFLUOROMETHANESULFONATE,059163-91-6,15814676,iron(2+);bis(trifluoromethanesulfonate),C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Fe+2],"InChI=1S/2CHF3O3S.Fe/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2",PGJLOGNVZGRMGX-UHFFFAOYSA-L,C2F6FeO6S2,354,353.838985,,131,145,0,0,12,0,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM 2-PROPANETHIOLATE,020607-43-6,3470666,sodium propane-2-thiolate,CC(C)[S-].[Na+],"InChI=1S/C3H8S.Na/c1-3(2)4;/h3-4H,1-2H3;/q;+1/p-1",NQHKCHWQDDWQJR-UHFFFAOYSA-M,C3H7NaS,98.14,98.01661568,,1,14,0,0,1,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
2-BROMOBUTYRYL BROMIDE,026074-52-2,117293,2-bromobutanoyl bromide,CCC(C(=O)Br)Br,"InChI=1S/C4H6Br2O/c1-2-3(5)4(6)7/h3H,2H2,1H3",HHKDBXNYWNUHPL-UHFFFAOYSA-N,C4H6Br2O,229.9,229.87649,2.6,17.1,72,0,0,1,2,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
2-((3-AMINOPROPYL)AMINO)ETHANOL,004461-39-6,78211,2-(3-aminopropylamino)ethanol,C(CN)CNCCO,"InChI=1S/C5H14N2O/c6-2-1-3-7-4-5-8/h7-8H,1-6H2",GHKSKVKCKMGRDU-UHFFFAOYSA-N,C5H14N2O,118.18,118.1106131,-1.5,58.3,41,0,3,3,5,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
BISMUTH(III) TRIFLUOROMETHANESULFONATE,088189-03-1,9917655,bismuth tris(trifluoromethanesulfonate),C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Bi+3],"InChI=1S/3CHF3O3S.Bi/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3",NYENCOMLZDQKNH-UHFFFAOYSA-K,C3BiF9O9S3,656.2,655.83647,,197,145,0,0,18,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(3,3-DIMETHYLBUTYL)TRICHLOROSILANE",105732-02-3,14111683,"trichloro(3,3-dimethylbutyl)silane",CC(C)(C)CC[Si](Cl)(Cl)Cl,"InChI=1S/C6H13Cl3Si/c1-6(2,3)4-5-10(7,8)9/h4-5H2,1-3H3",SJADGKAUTXKTQE-UHFFFAOYSA-N,C6H13Cl3Si,219.6,217.98521,,0,101,0,0,0,2,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM BIS(TRIFLUOROMETHANESULFONYL)IMIDE,090076-67-8,11099217,potassium bis(trifluoromethylsulfonyl)azanide,C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[K+],"InChI=1S/C2F6NO4S2.K/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q-1;+1",KVFIZLDWRFTUEM-UHFFFAOYSA-N,C2F6KNO4S2,319.25,318.8810003,,86,379,0,0,11,2,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
5-HEXENOIC ACID,001577-22-6,15308,hex-5-enoic acid,C=CCCCC(=O)O,"InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h2H,1,3-5H2,(H,7,8)",XUDOZULIAWNMIU-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,1.2,37.3,86,0,1,2,4,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
(S)-(+)-2-METHYLBUTYRIC ACID,001730-91-2,448893,(2S)-2-methylbutanoic acid,CC[C@H](C)C(=O)O,"InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m0/s1",WLAMNBDJUVNPJU-BYPYZUCNSA-N,C5H10O2,102.13,102.0680796,1.2,37.3,68,0,1,2,2,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
8-HYDROXYOCTANOIC ACID,000764-89-6,69820,8-hydroxyoctanoic acid,C(CCCC(=O)O)CCCO,"InChI=1S/C8H16O3/c9-7-5-3-1-2-4-6-8(10)11/h9H,1-7H2,(H,10,11)",KDMSVYIHKLZKET-UHFFFAOYSA-N,C8H16O3,160.21,160.1099444,-0.1,57.5,102,0,2,3,7,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM BIS(TRIFLUOROMETHANESULFONYL)IMIDE,091742-21-1,131887538,,C(F)(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F.[Na],"InChI=1S/C2HF6NO4S2.Na/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h9H;",QXZNUMVOKMLCEX-UHFFFAOYSA-N,C2HF6NNaO4S2,304.15,303.9148881,,97.1,374,0,1,11,2,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
MALONDIALDEHYDE TETRABUTYLAMMONIUM SALT,100683-54-3,13707375,(E)-3-oxoprop-1-en-1-olate;tetrabutylazanium,CCCC[N+](CCCC)(CCCC)CCCC.C(=C/[O-])\C=O,"InChI=1S/C16H36N.C3H4O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;4-2-1-3-5/h5-16H2,1-4H3;1-4H/q+1;/p-1/b;2-1+",GFXLQCGVBUWBHF-WLHGVMLRSA-M,C19H39NO2,313.5,313.2980795,,40.1,156,0,0,2,13,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
HENEICOSAFLUORODODECYLTRICHLOROSILANE,102488-49-3,2782914,"trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)silane",C(C[Si](Cl)(Cl)Cl)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C12H4Cl3F21Si/c13-37(14,15)2-1-3(16,17)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)36/h1-2H2",ZFUVZJADECZZMS-UHFFFAOYSA-N,C12H4Cl3F21Si,681.6,679.881251,,0,826,0,0,21,10,37,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
N-DODECYLMETHLAMINE,007311-30-0,81746,N-methyldodecan-1-amine,CCCCCCCCCCCCNC,"InChI=1S/C13H29N/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h14H,3-13H2,1-2H3",OMEMQVZNTDHENJ-UHFFFAOYSA-N,C13H29N,199.38,199.2299999,5.4,12,91,0,1,1,11,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H,1H-UNDECAFLUOROHEXYLAMINE",000355-34-0,21923864,"2,2,3,3,4,4,5,5,6,6,6-undecafluorohexan-1-amine",C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)N,"InChI=1S/C6H4F11N/c7-2(8,1-18)3(9,10)4(11,12)5(13,14)6(15,16)17/h1,18H2",FDIHRNYGDZQEAV-UHFFFAOYSA-N,C6H4F11N,299.08,299.0168089,3.1,26,303,0,1,12,4,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
FORMIC ACID-13C,001633-56-3,11115974,hydroxyformaldehyde,[13CH](=O)O,"InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/i1+1",BDAGIHXWWSANSR-OUBTZVSYSA-N,CH2O2,47.018,47.00883414,-0.2,37.3,10,0,1,2,0,3,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
L-CYSTINE DIHYDROCHLORIDE,030925-07-6,21121987,(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;dihydrochloride,C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)N.Cl.Cl,"InChI=1S/C6H12N2O4S2.2ClH/c7-3(5(9)10)1-13-14-2-4(8)6(11)12;;/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);2*1H/t3-,4-;;/m0../s1",HHGZUQPEIHGQST-RGVONZFCSA-N,C6H14Cl2N2O4S2,313.2,311.9772047,,177,192,0,6,8,7,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
COPPER(II) BIS(TRIFLUOROMETHANESULFONYL)IMIDE,162715-14-2,12000378,copper bis(bis(trifluoromethylsulfonyl)azanide),C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Cu+2],"InChI=1S/2C2F6NO4S2.Cu/c2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q2*-1;+2",UQENANCFJGYGSY-UHFFFAOYSA-N,C4CuF12N2O8S4,623.8,622.764185,,172,374,0,0,22,4,31,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
MAGNESIUM BIS(TRIFLUOROMETHANESULFONIMIDE),133395-16-1,11851070,magnesium bis(bis(trifluoromethylsulfonyl)azanide),C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Mg+2],"InChI=1S/2C2F6NO4S2.Mg/c2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q2*-1;+2",DMFBPGIDUUNBRU-UHFFFAOYSA-N,C4F12MgN2O8S4,584.6,583.8196293,,172,374,0,0,22,4,31,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CALCIUM (II) BIS(TRIFLUOROMETHANESULFONIMIDE),165324-09-4,46242197,calcium bis(bis(trifluoromethylsulfonyl)azanide),C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Ca+2],"InChI=1S/2C2F6NO4S2.Ca/c2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q2*-1;+2",WFABOCFDABTAPE-UHFFFAOYSA-N,C4CaF12N2O8S4,600.4,599.7971785,,172,374,0,0,22,4,31,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
3-CHLOROPROPANESULFONYL CHLORIDE,001633-82-5,15410,3-chloropropane-1-sulfonyl chloride,C(CS(=O)(=O)Cl)CCl,"InChI=1S/C3H6Cl2O2S/c4-2-1-3-8(5,6)7/h1-3H2",GPKDGVXBXQTHRY-UHFFFAOYSA-N,C3H6Cl2O2S,177.05,175.946556,1.3,42.5,134,0,0,2,3,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
OCTENYLTRICHLOROSILANE,153447-97-3,104122,trichloro(oct-7-enyl)silane,C=CCCCCCC[Si](Cl)(Cl)Cl,"InChI=1S/C8H15Cl3Si/c1-2-3-4-5-6-7-8-12(9,10)11/h2H,1,3-8H2",MFISPHKHJHQREG-UHFFFAOYSA-N,C8H15Cl3Si,245.6,244.00086,,0,120,0,0,0,6,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,2,2-TRIFLUOROETHYL PERFLUOROBUTYLSULFONATE",079963-95-4,2777144,"2,2,2-trifluoroethyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",C(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C6H2F12O3S/c7-2(8,9)1-21-22(19,20)6(17,18)4(12,13)3(10,11)5(14,15)16/h1H2",KJGYBFLEIPDFNQ-UHFFFAOYSA-N,C6H2F12O3S,382.13,381.953303,4,51.8,494,0,0,15,5,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CERIUM(III) TRIFLUOROMETHANESULFONATE,076089-77-5,2733941,cerium(3+);tris(trifluoromethanesulfonate),C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ce+3],"InChI=1S/3CHF3O3S.Ce/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3",PHSMPGGNMIPKTH-UHFFFAOYSA-K,C3CeF9O9S3,587.3,586.76152,,197,145,0,0,18,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHOSPHAZENE BASE P1-T-OCT,161118-69-0,5069241,"N-[bis(dimethylamino)-(2,4,4-trimethylpentan-2-ylimino)-lambda5-phosphanyl]-N-methylmethanamine",CC(C)(C)CC(C)(C)N=P(N(C)C)(N(C)C)N(C)C,"InChI=1S/C14H35N4P/c1-13(2,3)12-14(4,5)15-19(16(6)7,17(8)9)18(10)11/h12H2,1-11H3",DSCJCKAURXOQPX-UHFFFAOYSA-N,C14H35N4P,290.43,290.2599341,3.4,22.1,309,0,0,4,6,19,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"3,3'-(1,1,3,3-TETRAMETHYL-1,3-DISILOXANEDIYL)BIS-1-PROPANAMINE",002469-55-8,17181,3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine,C[Si](C)(CCCN)O[Si](C)(C)CCCN,"InChI=1S/C10H28N2OSi2/c1-14(2,9-5-7-11)13-15(3,4)10-6-8-12/h5-12H2,1-4H3",GPXCORHXFPYJEH-UHFFFAOYSA-N,C10H28N2OSi2,248.51,248.1740166,,61.3,157,0,2,3,8,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
BIS(2-ETHOXYETHYL)AMINE,000124-21-0,547396,2-ethoxy-N-(2-ethoxyethyl)ethanamine,CCOCCNCCOCC,"InChI=1S/C8H19NO2/c1-3-10-7-5-9-6-8-11-4-2/h9H,3-8H2,1-2H3",QDZOFZFDBDYWJX-UHFFFAOYSA-N,C8H19NO2,161.24,161.1415788,0.2,30.5,61,0,1,3,8,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TERT-BUTYL N-(4-AMINOBUTYL)CARBAMATE,068076-36-8,4351,tert-butyl N-(4-aminobutyl)carbamate,CC(C)(C)OC(=O)NCCCCN,"InChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-7,10H2,1-3H3,(H,11,12)",ZFQWJXFJJZUVPI-UHFFFAOYSA-N,C9H20N2O2,188.27,188.1524779,0.7,64.4,152,0,2,3,6,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TERT-BUTYL (2-(2-AMINOETHOXY)ETHYL)CARBAMATE,127828-22-2,12106198,tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate,CC(C)(C)OC(=O)NCCOCCN,"InChI=1S/C9H20N2O3/c1-9(2,3)14-8(12)11-5-7-13-6-4-10/h4-7,10H2,1-3H3,(H,11,12)",VULKFBHOEKTQSF-UHFFFAOYSA-N,C9H20N2O3,204.27,204.1473925,-0.2,73.6,166,0,2,4,7,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-METHYL-1-PROPANESULFONYL CHLORIDE,035432-36-1,182236,2-methylpropane-1-sulfonyl chloride,CC(C)CS(=O)(=O)Cl,"InChI=1S/C4H9ClO2S/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3",NQLNHTOCFWUYQE-UHFFFAOYSA-N,C4H9ClO2S,156.63,156.0011784,1.7,42.5,142,0,0,2,2,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ISOPROPYLSULPHONYL CHLORIDE,010147-37-2,82408,propane-2-sulfonyl chloride,CC(C)S(=O)(=O)Cl,"InChI=1S/C3H7ClO2S/c1-3(2)7(4,5)6/h3H,1-2H3",DRINJBFRTLBHNF-UHFFFAOYSA-N,C3H7ClO2S,142.61,141.9855283,1.2,42.5,130,0,0,2,1,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PERFLUORONONANE-1,9-DIOIC ACID",023453-64-7,2776030,"2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononanedioic acid",C(=O)(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C9H2F14O4/c10-3(11,1(24)25)5(14,15)7(18,19)9(22,23)8(20,21)6(16,17)4(12,13)2(26)27/h(H,24,25)(H,26,27)",WRYSWXOLGMKBKW-UHFFFAOYSA-N,C9H2F14O4,440.09,439.9729528,4.1,74.6,572,0,2,18,8,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
6-HEPTENOIC ACID,001119-60-4,70705,hept-6-enoic acid,C=CCCCCC(=O)O,"InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h2H,1,3-6H2,(H,8,9)",RWNJOXUVHRXHSD-UHFFFAOYSA-N,C7H12O2,128.17,128.0837296,1.7,37.3,97,0,1,2,5,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM 2-METHYL-2-PROPANETHIOLATE(SODIUM 2-METHYL-2-PROPANETHIOLATE),029364-29-2,5147913,sodium 2-methylpropane-2-thiolate,CC(C)(C)[S-].[Na+],"InChI=1S/C4H10S.Na/c1-4(2,3)5;/h5H,1-3H3;/q;+1/p-1",TUZFIWBNGKNFPW-UHFFFAOYSA-M,C4H9NaS,112.17,112.0322657,,1,29,0,0,1,0,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TETRABUTYLAMMONIUM BIS((TRIFLUOROMETHYL)SULFONYL)AMIDE,210230-40-3,16218632,bis(trifluoromethylsulfonyl)azanide;tetrabutylazanium,CCCC[N+](CCCC)(CCCC)CCCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F,"InChI=1S/C16H36N.C2F6NO4S2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-16H2,1-4H3;/q+1;-1",CFAPFDTWIGBCQK-UHFFFAOYSA-N,C18H36F6N2O4S2,522.6,522.202069,,86,490,0,0,11,14,32,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"9-OCTADECENAMIDE, N-[3-(DIMETHYLAMINO)PROPYL]-, (Z)-",000109-28-4,6436063,(Z)-N-[3-(dimethylamino)propyl]octadec-9-enamide,CCCCCCCC/C=C\CCCCCCCC(=O)NCCCN(C)C,"InChI=1S/C23H46N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3/h11-12H,4-10,13-22H2,1-3H3,(H,24,26)/b12-11-",UCWYGNTYSWIDSW-QXMHVHEDSA-N,C23H46N2O,366.6,366.3610141,7.4,32.3,326,0,1,2,19,26,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"1,4-PENTANEDIAMINE, N1,N1-DIETHYL-",000140-80-7,78953,"1-N,1-N-diethylpentane-1,4-diamine",CCN(CC)CCCC(C)N,"InChI=1S/C9H22N2/c1-4-11(5-2)8-6-7-9(3)10/h9H,4-8,10H2,1-3H3",CAPCBAYULRXQAN-UHFFFAOYSA-N,C9H22N2,158.28,158.1782987,1.2,29.3,79,0,1,2,6,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"OXONIUM, TRIETHYL-, TETRAFLUOROBORATE(1-)",000368-39-8,2723982,triethyloxidanium tetrafluoroborate,[B-](F)(F)(F)F.CC[O+](CC)CC,"InChI=1S/C6H15O.BF4/c1-4-7(5-2)6-3;2-1(3,4)5/h4-6H2,1-3H3;/q+1;-1",IYDQMLLDOVRSJJ-UHFFFAOYSA-N,C6H15BF4O,189.99,190.1152079,,1,44,0,0,5,3,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANEDIOIC ACID, TETRAFLUORO-",000377-38-8,67833,"2,2,3,3-tetrafluorobutanedioic acid",C(=O)(C(C(C(=O)O)(F)F)(F)F)O,"InChI=1S/C4H2F4O4/c5-3(6,1(9)10)4(7,8)2(11)12/h(H,9,10)(H,11,12)",YUDUFRYTKFGQCL-UHFFFAOYSA-N,C4H2F4O4,190.05,189.9889212,0.7,74.6,199,0,2,8,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHANEDISULFONIC ACID,000503-40-2,10427,methanedisulfonic acid,C(S(=O)(=O)O)S(=O)(=O)O,"InChI=1S/CH4O6S2/c2-8(3,4)1-9(5,6)7/h1H2,(H,2,3,4)(H,5,6,7)",OPUAWDUYWRUIIL-UHFFFAOYSA-N,CH4O6S2,176.17,175.9449302,-1.9,126,225,0,2,6,2,9,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-HEXADECANAMINIUM, N,N,N-TRIMETHYL-, HYDROXIDE",000505-86-2,68166,hexadecyl(trimethyl)azanium hydroxide,CCCCCCCCCCCCCCCC[N+](C)(C)C.[OH-],"InChI=1S/C19H42N.H2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H2/q+1;/p-1",WJLUBOLDZCQZEV-UHFFFAOYSA-M,C19H43NO,301.6,301.334465,,1,181,0,1,1,15,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CARBONOTRITHIOIC ACID, DISODIUM SALT",000534-18-9,101753,disodium;carbonotrithioate,C(=S)([S-])[S-].[Na+].[Na+],"InChI=1S/CH2S3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",USAIOOFEIMNEDN-UHFFFAOYSA-L,CNa2S3,154.2,153.8957521,,34.1,18,0,0,3,0,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-BUTENOIC ACID, 3-METHYL-",000541-47-9,10931,3-methylbut-2-enoic acid,CC(=CC(=O)O)C,"InChI=1S/C5H8O2/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7)",YYPNJNDODFVZLE-UHFFFAOYSA-N,C5H8O2,100.12,100.0524295,1.2,37.3,98,0,1,2,1,7,,195.00 to 197.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ACETYL FLUORIDE,000557-99-3,11204,acetyl fluoride,CC(=O)F,InChI=1S/C2H3FO/c1-2(3)4/h1H3,JUCMRTZQCZRJDC-UHFFFAOYSA-N,C2H3FO,62.04,62.01679288,0.2,17.1,33,0,0,2,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"SULFURIC ACID, DIPROPYL ESTER",000598-05-0,69015,dipropyl sulfate,CCCOS(=O)(=O)OCCC,"InChI=1S/C6H14O4S/c1-3-5-9-11(7,8)10-6-4-2/h3-6H2,1-2H3",JYCKNDWZDXGNBW-UHFFFAOYSA-N,C6H14O4S,182.24,182.0612801,1.5,61,154,0,0,4,6,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"TETRADECANOIC ACID, ANHYDRIDE",000626-29-9,69377,tetradecanoyl tetradecanoate,CCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCC,"InChI=1S/C28H54O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(29)31-28(30)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3",RCRYHUPTBJZEQS-UHFFFAOYSA-N,C28H54O3,438.7,438.4072956,12.4,43.4,356,0,0,3,26,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, (ETHYLTHIO)-",000627-04-3,69387,2-ethylsulfanylacetic acid,CCSCC(=O)O,"InChI=1S/C4H8O2S/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6)",VJIKFWJCVWFZIN-UHFFFAOYSA-N,C4H8O2S,120.17,120.0245007,0.8,62.6,62,0,1,3,3,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Hexanoic acid, 5-methyl-",000628-46-6,12344,5-methylhexanoic acid,CC(C)CCCC(=O)O,"InChI=1S/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)",MHPUGCYGQWGLJL-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,2.2,37.3,86,0,1,2,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANEDIOIC ACID, DIBROMO-, DIETHYL ESTER",000631-22-1,69427,"diethyl 2,2-dibromopropanedioate",CCOC(=O)C(C(=O)OCC)(Br)Br,"InChI=1S/C7H10Br2O4/c1-3-12-5(10)7(8,9)6(11)13-4-2/h3-4H2,1-2H3",PFZYFZRUPFUEOB-UHFFFAOYSA-N,C7H10Br2O4,317.96,317.89253,2.4,52.6,183,0,0,4,6,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIS(2-HYDROXYETHYL)-, HYDROXIDE",000631-41-4,12430,tetrakis(2-hydroxyethyl)azanium hydroxide,C(CO)[N+](CCO)(CCO)CCO.[OH-],"InChI=1S/C8H20NO4.H2O/c10-5-1-9(2-6-11,3-7-12)4-8-13;/h10-13H,1-8H2;1H2/q+1;/p-1",VHLDQAOFSQCOFS-UHFFFAOYSA-M,C8H21NO5,211.26,211.1419728,,81.9,91,0,5,5,8,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ACETAMIDE, 2,2,2-TRIFLUORO-N-[(TRIFLUOROACETYL)OXY]-",000684-78-6,69634,"[(2,2,2-trifluoroacetyl)amino] 2,2,2-trifluoroacetate",C(=O)(C(F)(F)F)NOC(=O)C(F)(F)F,"InChI=1S/C4HF6NO3/c5-3(6,7)1(12)11-14-2(13)4(8,9)10/h(H,11,12)",CYSAMXITKBXZOP-UHFFFAOYSA-N,C4HF6NO3,225.05,224.9860619,1.9,55.4,242,0,1,9,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHORIC ACID, MONOMETHYL ESTER",000812-00-0,13130,methyl dihydrogen phosphate,COP(=O)(O)O,"InChI=1S/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4)",CAAULPUQFIIOTL-UHFFFAOYSA-N,CH5O4P,112.02,111.9925456,-1.6,66.8,71,0,2,4,1,6,"greater than 220 °F (NTP, 1992)",,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANOIC ACID, 3,3-DIMETHYL-2-OXO-",000815-17-8,13150,"3,3-dimethyl-2-oxobutanoic acid",CC(C)(C)C(=O)C(=O)O,"InChI=1S/C6H10O3/c1-6(2,3)4(7)5(8)9/h1-3H3,(H,8,9)",IAWVHZJZHDSEOC-UHFFFAOYSA-N,C6H10O3,130.14,130.0629942,1.1,54.4,141,0,1,3,2,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-BUTENEDIOIC ACID (Z)-, MONOBUTYL ESTER",000925-21-3,5356726,(Z)-4-butoxy-4-oxobut-2-enoic acid,CCCCOC(=O)/C=C\C(=O)O,"InChI=1S/C8H12O4/c1-2-3-6-12-8(11)5-4-7(9)10/h4-5H,2-3,6H2,1H3,(H,9,10)/b5-4-",UTOVMEACOLCUCK-PLNGDYQASA-N,C8H12O4,172.18,172.0735589,1.1,63.6,183,0,1,4,6,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"SILANE, CHLOROTRIPROPYL-",000995-25-5,70445,chloro(tripropyl)silane,CCC[Si](CCC)(CCC)Cl,"InChI=1S/C9H21ClSi/c1-4-7-11(10,8-5-2)9-6-3/h4-9H2,1-3H3",ACTAPAGNZPZLEF-UHFFFAOYSA-N,C9H21ClSi,192.8,192.1101049,,0,76,0,0,0,6,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHORIC ACID, MONO(2-ETHYLHEXYL) ESTER",001070-03-7,14050,2-ethylhexyl dihydrogen phosphate,CCCCC(CC)COP(=O)(O)O,"InChI=1S/C8H19O4P/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)",LJKDOMVGKKPJBH-UHFFFAOYSA-N,C8H19O4P,210.21,210.1020961,1.6,66.8,166,0,2,4,7,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-HEXENOIC ACID,001191-04-4,14486,hex-2-enoic acid,CCCC=CC(=O)O,"InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)",NIONDZDPPYHYKY-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,1.6,37.3,94,0,1,2,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TRICHLORO(CHLOROMETHYL)SILANE,001558-25-4,15258,trichloro(chloromethyl)silane,C([Si](Cl)(Cl)Cl)Cl,"InChI=1S/CH2Cl4Si/c2-1-6(3,4)5/h1H2",FYTPGBJPTDQJCG-UHFFFAOYSA-N,CH2Cl4Si,183.9,183.865037,,0,37,0,0,0,0,6,Flash point: 157 °F (69 °C),,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"3-HEXENOIC ACID, (E)-",001577-18-0,5282708,(E)-hex-3-enoic acid,CC/C=C/CC(=O)O,"InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3+",XXHDAWYDNSXJQM-ONEGZZNKSA-N,C6H10O2,114.14,114.0680796,1.2,37.3,94,0,1,2,3,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
3-OCTENOIC ACID,001577-19-1,15307,oct-3-enoic acid,CCCCC=CCC(=O)O,"InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h5-6H,2-4,7H2,1H3,(H,9,10)",IWPOSDLLFZKGOW-UHFFFAOYSA-N,C8H14O2,142.2,142.0993797,2.3,37.3,116,0,1,2,5,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANOIC ACID, 3-CHLORO-2-HYDROXY-",001713-85-5,92899,3-chloro-2-hydroxypropanoic acid,C(C(C(=O)O)O)Cl,"InChI=1S/C3H5ClO3/c4-1-2(5)3(6)7/h2,5H,1H2,(H,6,7)",OSLCJYYQMKPZHU-UHFFFAOYSA-N,C3H5ClO3,124.52,123.9927217,-0.2,57.5,72,0,2,3,2,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PHOSPHONITRILE CHLORIDE,001832-07-1,74596,azanylidyne(dichloro)-lambda5-phosphane,N#P(Cl)Cl,InChI=1S/Cl2NP/c1-4(2)3,UXJHQBVRZUANLK-UHFFFAOYSA-N,Cl2NP,115.88,114.9145414,,23.8,58,0,0,1,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"OCTANOIC ACID, SODIUM SALT",001984-06-1,23664772,sodium octanoate,CCCCCCCC(=O)[O-].[Na+],"InChI=1S/C8H16O2.Na/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+1/p-1",BYKRNSHANADUFY-UHFFFAOYSA-M,C8H15NaO2,166.19,166.096974,,40.1,94,0,0,2,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORODITHIOIC ACID, O,O-DIBUTYL ESTER",002253-44-3,35228,dibutoxy-sulfanyl-sulfanylidene-lambda5-phosphane,CCCCOP(=S)(OCCCC)S,"InChI=1S/C8H19O2PS2/c1-3-5-7-9-11(12,13)10-8-6-4-2/h3-8H2,1-2H3,(H,12,13)",XPRULOZMJZDZEF-UHFFFAOYSA-N,C8H19O2PS2,242.3,242.0564092,4.2,51.6,150,0,1,4,8,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, MONOPENTYL ESTER",002382-76-5,61572,pentyl dihydrogen phosphate,CCCCCOP(=O)(O)O,"InChI=1S/C5H13O4P/c1-2-3-4-5-9-10(6,7)8/h2-5H2,1H3,(H2,6,7,8)",NVTPMUHPCAUGCB-UHFFFAOYSA-N,C5H13O4P,168.13,168.0551459,0.2,66.8,119,0,2,4,5,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-BUTANOL, 3-METHYL-, DIHYDROGEN PHOSPHATE",002466-67-3,75573,3-methylbutyl dihydrogen phosphate,CC(C)CCOP(=O)(O)O,"InChI=1S/C5H13O4P/c1-5(2)3-4-9-10(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)",WCWLEIAMBPYRFJ-UHFFFAOYSA-N,C5H13O4P,168.13,168.0551459,0.1,66.8,128,0,2,4,4,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1-TETRADECANAMINIUM, N-(CARBOXYMETHYL)-N,N-DIMETHYL-, INNER SALT",002601-33-4,64672,2-[dimethyl(tetradecyl)azaniumyl]acetate,CCCCCCCCCCCCCC[N+](C)(C)CC(=O)[O-],"InChI=1S/C18H37NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19(2,3)17-18(20)21/h4-17H2,1-3H3",KKMIHKCGXQMFEU-UHFFFAOYSA-N,C18H37NO2,299.5,299.2824294,7.2,40.1,246,0,0,2,14,21,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"OCTANOIC ACID, 2-METHYL-",003004-93-1,94251,2-methyloctanoic acid,CCCCCCC(C)C(=O)O,"InChI=1S/C9H18O2/c1-3-4-5-6-7-8(2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11)",YSEQNZOXHCKLOG-UHFFFAOYSA-N,C9H18O2,158.24,158.1306798,3.4,37.3,110,0,1,2,6,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, DIOCTADECYL ESTER",003037-89-6,76433,dioctadecyl hydrogen phosphate,CCCCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C36H75O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-41(37,38)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,37,38)",FRXGWNKDEMTFPL-UHFFFAOYSA-N,C36H75O4P,603,602.5402979,16.6,55.8,486,0,1,4,36,41,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, DIOCTYL ESTER",003115-39-7,76563,dioctyl hydrogen phosphate,CCCCCCCCOP(=O)(O)OCCCCCCCC,"InChI=1S/C16H35O4P/c1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H,17,18)",HTDKEJXHILZNPP-UHFFFAOYSA-N,C16H35O4P,322.42,322.2272966,5.8,55.8,237,0,1,4,16,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANOIC ACID, 2-BROMO-, METHYL ESTER",003196-15-4,95577,methyl 2-bromobutanoate,CCC(C(=O)OC)Br,"InChI=1S/C5H9BrO2/c1-3-4(6)5(7)8-2/h4H,3H2,1-2H3",UFQQDNMQADCHGH-UHFFFAOYSA-N,C5H9BrO2,181.03,179.97859,1.8,26.3,82,0,0,2,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, MONOHEXYL ESTER",003900-04-7,19787,hexyl dihydrogen phosphate,CCCCCCOP(=O)(O)O,"InChI=1S/C6H15O4P/c1-2-3-4-5-6-10-11(7,8)9/h2-6H2,1H3,(H2,7,8,9)",PHNWGDTYCJFUGZ-UHFFFAOYSA-N,C6H15O4P,182.15,182.070796,0.8,66.8,131,0,2,4,6,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, MONOOCTYL ESTER",003991-73-9,19892,octyl dihydrogen phosphate,CCCCCCCCOP(=O)(O)O,"InChI=1S/C8H19O4P/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11)",WRKCIHRWQZQBOL-UHFFFAOYSA-N,C8H19O4P,210.21,210.1020961,1.9,66.8,154,0,2,4,8,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ACETYL CHLORIDE, (CHLOROSULFONYL)-",004025-77-8,77642,2-chlorosulfonylacetyl chloride,C(C(=O)Cl)S(=O)(=O)Cl,"InChI=1S/C2H2Cl2O3S/c3-2(5)1-8(4,6)7/h1H2",MCFSNYMQISXQTF-UHFFFAOYSA-N,C2H2Cl2O3S,177.01,175.9101705,1,59.6,176,0,0,3,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANOYL FLUORIDE, 2,3,3,3-TETRAFLUORO-2-[1,1,2,2-TETRAFLUORO-2-(FLUOROSULFON",004089-57-0,107222,"2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride",C(=O)(C(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)F)(F)F)F)F,"InChI=1S/C5F10O4S/c6-1(16)2(7,3(8,9)10)19-4(11,12)5(13,14)20(15,17)18",JJMSFRPBSYTEIN-UHFFFAOYSA-N,C5F10O4S,346.1,345.9357613,3,68.8,489,0,0,14,5,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
3-NONENOIC ACID,004124-88-3,107507,non-3-enoic acid,CCCCCC=CCC(=O)O,"InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h6-7H,2-5,8H2,1H3,(H,10,11)",ZBPYTVBKHKUNHG-UHFFFAOYSA-N,C9H16O2,156.22,156.1150297,2.8,37.3,128,0,1,2,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
3-HEXENOIC ACID,004219-24-3,20200,hex-3-enoic acid,CCC=CCC(=O)O,"InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)",XXHDAWYDNSXJQM-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,1.2,37.3,94,0,1,2,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"GLYCINE, N-METHYL-, MONOSODIUM SALT",004316-73-8,23667259,sodium 2-(methylamino)acetate,CNCC(=O)[O-].[Na+],"InChI=1S/C3H7NO2.Na/c1-4-2-3(5)6;/h4H,2H2,1H3,(H,5,6);/q;+1/p-1",ZUFONQSOSYEWCN-UHFFFAOYSA-M,C3H6NNaO2,111.08,111.0296227,,52.2,56,0,1,3,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANESULFONIC ACID, 2-(METHYLAMINO)-, MONOSODIUM SALT",004316-74-9,23684896,sodium 2-(methylamino)ethanesulfonate,CNCCS(=O)(=O)[O-].[Na+],"InChI=1S/C3H9NO3S.Na/c1-4-2-3-8(5,6)7;/h4H,2-3H2,1H3,(H,5,6,7);/q;+1/p-1",KKDONKAYVYTWGY-UHFFFAOYSA-M,C3H8NNaO3S,161.16,161.0122586,,77.6,138,0,1,4,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, BIS[(1-OXO-2-PROPENYL)AMINO]-",004387-85-3,78096,"2,2-bis(prop-2-enoylamino)acetic acid",C=CC(=O)NC(C(=O)O)NC(=O)C=C,"InChI=1S/C8H10N2O4/c1-3-5(11)9-7(8(13)14)10-6(12)4-2/h3-4,7H,1-2H2,(H,9,11)(H,10,12)(H,13,14)",LVKKFNORSNCNPP-UHFFFAOYSA-N,C8H10N2O4,198.18,198.0640568,-0.2,95.5,263,0,3,4,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-PENTANAMINIUM, N,N,N-TRIPENTYL-, CHLORIDE",004965-17-7,78667,tetrapentylazanium chloride,CCCCC[N+](CCCCC)(CCCCC)CCCCC.[Cl-],"InChI=1S/C20H44N.ClH/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1",SXAWRMKQZKPHNJ-UHFFFAOYSA-M,C20H44ClN,334,333.3162281,,0,155,0,0,1,16,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"1-TRIDECANOL, DIHYDROGEN PHOSPHATE",005116-94-9,82161,tridecyl dihydrogen phosphate,CCCCCCCCCCCCCOP(=O)(O)O,"InChI=1S/C13H29O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16/h2-13H2,1H3,(H2,14,15,16)",GAJQCIFYLSXSEZ-UHFFFAOYSA-N,C13H29O4P,280.34,280.1803464,4.6,66.8,215,0,2,4,13,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANEDIOIC ACID, SULFO-",005138-18-1,21220,2-sulfobutanedioic acid,C(C(C(=O)O)S(=O)(=O)O)C(=O)O,"InChI=1S/C4H6O7S/c5-3(6)1-2(4(7)8)12(9,10)11/h2H,1H2,(H,5,6)(H,7,8)(H,9,10,11)",ULUAUXLGCMPNKK-UHFFFAOYSA-N,C4H6O7S,198.15,197.9834237,-1.8,137,283,0,3,7,4,12,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, SULFO-, DISODIUM SALT",005462-60-2,79586,disodium;2-sulfonatoacetate,C(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C2H4O5S.2Na/c3-2(4)1-8(5,6)7;;/h1H2,(H,3,4)(H,5,6,7);;/q;2*+1/p-2",BMDIYDZEBRJMPF-UHFFFAOYSA-L,C2H2Na2O5S,184.08,183.9418329,,106,152,0,0,5,0,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHONIC ACID, DECYL-",006874-60-8,81309,decylphosphonic acid,CCCCCCCCCCP(=O)(O)O,"InChI=1S/C10H23O3P/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3,(H2,11,12,13)",DZQISOJKASMITI-UHFFFAOYSA-N,C10H23O3P,222.26,222.1384816,2.9,57.5,165,0,2,3,9,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, DIDODECYL ESTER",007057-92-3,23467,didodecyl hydrogen phosphate,CCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC,"InChI=1S/C24H51O4P/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,25,26)",JTXUVYOABGUBMX-UHFFFAOYSA-N,C24H51O4P,434.6,434.3524971,10.2,55.8,333,0,1,4,24,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"9,12-OCTADECADIENOYL CHLORIDE, (Z,Z)-",007459-33-8,9817754,"(9Z,12Z)-octadeca-9,12-dienoyl chloride",CCCCC/C=C\C/C=C\CCCCCCCC(=O)Cl,"InChI=1S/C18H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3/b7-6-,10-9-",FBWMYSQUTZRHAT-HZJYTTRNSA-N,C18H31ClO,298.9,298.2063433,7.6,17.1,269,0,0,1,14,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORANE, PENTABROMO-",007789-69-7,62678,pentabromo-lambda5-phosphane,P(Br)(Br)(Br)(Br)Br,"InChI=1S/Br5P/c1-6(2,3,4)5",QRKVRHZNLKTPGF-UHFFFAOYSA-N,Br5P,430.49,429.56135,4.7,0,37,0,0,0,0,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PLATINUM IODIDE (PTI4), (SP-4-1)-",007790-46-7,82254,platinum(4+) tetraiodide,[I-].[I-].[I-].[I-].[Pt+4],InChI=1S/4HI.Pt/h4*1H;/q;;;;+4/p-4,RNJPWBVOCUGBGY-UHFFFAOYSA-J,I4Pt,702.7,702.5827,,0,0,0,0,4,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"SILICIC ACID (H2SIO3), DIPOTASSIUM SALT",010006-28-7,66200,dipotassium;dioxido(oxo)silane,[O-][Si](=O)[O-].[K+].[K+],InChI=1S/2K.O3Si/c;;1-4(2)3/q2*+1;-2,NNHHDJVEYQHLHG-UHFFFAOYSA-N,K2O3Si,154.28,153.8890834,,63.2,18,0,0,3,0,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
1-PROPANESULFONYL CHLORIDE,010147-36-1,66279,propane-1-sulfonyl chloride,CCCS(=O)(=O)Cl,"InChI=1S/C3H7ClO2S/c1-2-3-7(4,5)6/h2-3H2,1H3",KPBSJEBFALFJTO-UHFFFAOYSA-N,C3H7ClO2S,142.61,141.9855283,1.3,42.5,120,0,0,2,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PENTENOIC ACID, 4-METHYL-",010321-71-8,12216200,(Z)-4-methylpent-2-enoic acid,CC(C)/C=C\C(=O)O,"InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h3-5H,1-2H3,(H,7,8)/b4-3-",QAOXMQCWUWZZNC-ARJAWSKDSA-N,C6H10O2,114.14,114.0680796,1.4,37.3,103,0,1,2,2,8,,203.00 to 204.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"SULFURIC ACID, TITANIUM(3+) SALT (3:2)",010343-61-0,165866,bis(titanium(3+));trisulfate,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ti+3].[Ti+3],"InChI=1S/3H2O4S.2Ti/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+3/p-6",SOBXOQKKUVQETK-UHFFFAOYSA-H,O12S3Ti2,383.9,383.75107,,266,62,0,0,12,0,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"DISTANNOXANE, 1,1,3,3-TETRABUTYL-1,3-DICHLORO-",010428-19-0,16682755,dibutyl-chloro-[dibutyl(chloro)stannyl]oxystannane,CCCC[Sn](CCCC)(O[Sn](CCCC)(CCCC)Cl)Cl,"InChI=1S/4C4H9.2ClH.O.2Sn/c4*1-3-4-2;;;;;/h4*1,3-4H2,2H3;2*1H;;;/q;;;;;;;2*+1/p-2",MWFOVBOCPFXQMF-UHFFFAOYSA-L,C16H36Cl2OSn2,552.8,552.01813,,9.2,212,0,0,1,14,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SULFUR CHLORIDE (SCL2),010545-99-0,25353,chloro thiohypochlorite,S(Cl)Cl,InChI=1S/Cl2S/c1-3-2,FWMUJAIKEJWSSY-UHFFFAOYSA-N,Cl2S,102.97,101.9097766,2,25.3,2,0,0,1,0,3,245 °F (118 °C) (open cup),59 °C,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"ALUMINATE (ALO21-), POTASSIUM",012003-63-3,23670858,potassium oxido(oxo)alumane,[O-][Al]=O.[K+],InChI=1S/Al.K.2O/q;+1;;-1,KVOIJEARBNBHHP-UHFFFAOYSA-N,AlKO2,98.079,97.9350741,,40.1,13,0,0,2,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"TITANATE (TIO32-), DISODIUM",012034-34-3,160970,disodium;tris(oxygen(2-));titanium(4+),[O-2].[O-2].[O-2].[Na+].[Na+].[Ti+4],InChI=1S/2Na.3O.Ti/q2*+1;3*-2;+4,LJUBBLNHYXJKSN-UHFFFAOYSA-N,Na2O3Ti,141.845,141.9122231,,3,0,0,0,3,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"STANNATE (SNO32-), DISODIUM",012058-66-1,25501,disodium;dioxido(oxo)tin,[O-][Sn](=O)[O-].[Na+].[Na+],InChI=1S/2Na.3O.Sn/q2*+1;;2*-1;,TVQLLNFANZSCGY-UHFFFAOYSA-N,Na2O3Sn,212.69,213.866485,,63.2,18,0,0,3,0,6,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHORIC ACID, ISOOCTYL ESTER",012645-53-3,106625,6-methylheptyl dihydrogen phosphate,CC(C)CCCCCOP(=O)(O)O,"InChI=1S/C8H19O4P/c1-8(2)6-4-3-5-7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)",RQINQJTUMGQYOB-UHFFFAOYSA-N,C8H19O4P,210.21,210.1020961,1.6,66.8,164,0,2,4,7,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, DODECYL ESTER",012751-23-4,1550836,dodecyl phosphate,CCCCCCCCCCCCOP(=O)([O-])[O-],"InChI=1S/C12H27O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H2,13,14,15)/p-2",TVACALAUIQMRDF-UHFFFAOYSA-L,C12H25O4P-2,264.3,264.1490463,3.9,72.4,191,-2,0,4,11,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, TRIANHYDRIDE WITH SILICIC ACID (H4SIO4) MONO(1,1-DIMETHYLETHYL) E",013170-22-4,83198,[diacetyloxy-[(2-methylpropan-2-yl)oxy]silyl] acetate,CC(=O)O[Si](OC(=O)C)(OC(=O)C)OC(C)(C)C,"InChI=1S/C10H18O7Si/c1-7(11)14-18(15-8(2)12,16-9(3)13)17-10(4,5)6/h1-6H3",JCFIEFCORBGQHK-UHFFFAOYSA-N,C10H18O7Si,278.33,278.0821794,,88.1,304,0,0,7,8,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-HEXENOIC ACID, (E)-",013419-69-7,5282707,(E)-hex-2-enoic acid,CCC/C=C/C(=O)O,"InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4+",NIONDZDPPYHYKY-SNAWJCMRSA-N,C6H10O2,114.14,114.0680796,1.6,37.3,94,0,1,2,3,8,,217.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"GERMANE, TETRAIODO-",013450-95-8,83479,tetraiodogermane,[Ge](I)(I)(I)I,"InChI=1S/GeI4/c2-1(3,4)5",CUDGTZJYMWAJFV-UHFFFAOYSA-N,GeI4,580.25,581.5391,,0,19,0,0,0,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
HYPODIPHOSPHOROUS TETRAIODIDE,013455-00-0,83484,diiodophosphanyl(diiodo)phosphane,P(P(I)I)(I)I,InChI=1S/I4P2/c1-5(2)6(3)4,YXXQTQYRRHHWFL-UHFFFAOYSA-N,I4P2,569.5654,569.5654,3.2,0,26,0,0,0,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"SILANE, BROMOTRICHLORO-",013465-74-2,83496,bromo(trichloro)silane,[Si](Cl)(Cl)(Cl)Br,"InChI=1S/BrCl3Si/c1-5(2,3)4",GGQKEDHYWOIABV-UHFFFAOYSA-N,BrCl3Si,214.34,211.80182,,0,28,0,0,0,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
TITANIUM FLUORIDE (TIF3),013470-08-1,83506,trifluorotitanium,F[Ti](F)F,InChI=1S/3FH.Ti/h3*1H;/q;;;+3/p-3,NLPMQGKZYAYAFE-UHFFFAOYSA-K,F3Ti,104.862,104.9431502,,0,8,0,0,3,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"TRISILANE, OCTACHLORO-",013596-23-1,83601,trichloro-[dichloro(trichlorosilyl)silyl]silane,[Si]([Si](Cl)(Cl)Cl)([Si](Cl)(Cl)Cl)(Cl)Cl,"InChI=1S/Cl8Si3/c1-9(2,3)11(7,8)10(4,5)6",PZKOFHKJGUNVTM-UHFFFAOYSA-N,Cl8Si3,367.9,367.675701,,0,120,0,0,0,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PHOSPHORODIFLUORIDIC ACID,013779-41-4,61681,difluorophosphinic acid,OP(=O)(F)F,"InChI=1S/F2HO2P/c1-5(2,3)4/h(H,3,4)",DGTVXEHQMSJRPE-UHFFFAOYSA-N,F2HO2P,101.977,101.9682226,0,37.3,62,0,1,4,0,5,,"241 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
NIOBIUM IODIDE (NBI5),013779-92-5,83728,pentaiodoniobium,[Nb](I)(I)(I)(I)I,InChI=1S/5HI.Nb/h5*1H;/q;;;;;+5/p-5,FWIYBTVHGYLSAZ-UHFFFAOYSA-I,I5Nb,727.4287,727.4287,,0,37,0,0,0,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ZIRCONIUM IODIDE (ZRI4),013986-26-0,84133,zirconium(4+) tetraiodide,[Zr+4].[I-].[I-].[I-].[I-],InChI=1S/4HI.Zr/h4*1H;/q;;;;+4/p-4,XLMQAUWIRARSJG-UHFFFAOYSA-J,I4Zr,598.84,597.5226,,0,0,0,0,4,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANOL, 2-BUTOXY-, HYDROGEN PHOSPHATE",014260-97-0,84299,bis(2-butoxyethyl) hydrogen phosphate,CCCCOCCOP(=O)(O)OCCOCCCC,"InChI=1S/C12H27O6P/c1-3-5-7-15-9-11-17-19(13,14)18-12-10-16-8-6-4-2/h3-12H2,1-2H3,(H,13,14)",NNXWIPHZHATIFE-UHFFFAOYSA-N,C12H27O6P,298.31,298.1545256,1.2,74.2,216,0,1,6,14,19,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
1-HEXANESULFONYL CHLORIDE,014532-24-2,84504,hexane-1-sulfonyl chloride,CCCCCCS(=O)(=O)Cl,"InChI=1S/C6H13ClO2S/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3",AEHJDQSLTMFLQO-UHFFFAOYSA-N,C6H13ClO2S,184.69,184.0324785,2.7,42.5,157,0,0,2,5,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"SILANE, DICHLOROHEXYLMETHYL-",014799-94-1,84650,dichloro-hexyl-methylsilane,CCCCCC[Si](C)(Cl)Cl,"InChI=1S/C7H16Cl2Si/c1-3-4-5-6-7-10(2,8)9/h3-7H2,1-2H3",KKRMHVJQWMXYBZ-UHFFFAOYSA-N,C7H16Cl2Si,199.19,198.0398324,,0,83,0,0,0,5,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ETHANEDIOYL DIBROMIDE,015219-34-8,84841,oxalyl dibromide,C(=O)(C(=O)Br)Br,InChI=1S/C2Br2O2/c3-1(5)2(4)6,JAZLVNXWYDFQFE-UHFFFAOYSA-N,C2Br2O2,215.83,215.82446,1.8,34.1,75,0,0,2,1,6,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"9-OCTADECENAMIDE, N-[2-[(2-AMINOETHYL)AMINO]ETHYL]-, (Z)-",015566-80-0,6436424,(Z)-N-[2-(2-aminoethylamino)ethyl]octadec-9-enamide,CCCCCCCC/C=C\CCCCCCCC(=O)NCCNCCN,"InChI=1S/C22H45N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23/h9-10,24H,2-8,11-21,23H2,1H3,(H,25,26)/b10-9-",FUJIFZPMNJHIDG-KTKRTIGZSA-N,C22H45N3O,367.6,367.3562631,5.6,67.2,319,0,3,3,20,26,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
NEODYMIUM HYDROXIDE (ND(OH)3),016469-17-3,85433,neodymium(3+) trihydroxide,[OH-].[OH-].[OH-].[Nd+3],InChI=1S/Nd.3H2O/h;3*1H2/q+3;;;/p-3,ZBAQHMBLDSQPHC-UHFFFAOYSA-K,H3NdO3,195.26,192.91595,,3,0,0,3,3,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PENTATRIACONTAFLUOROOCTADECANOIC ACID,016517-11-6,167547,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentatriacontafluorooctadecanoic acid",C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C18HF35O2/c19-2(20,1(54)55)3(21,22)4(23,24)5(25,26)6(27,28)7(29,30)8(31,32)9(33,34)10(35,36)11(37,38)12(39,40)13(41,42)14(43,44)15(45,46)16(47,48)17(49,50)18(51,52)53/h(H,54,55)",ZTSDOGSKTICNPQ-UHFFFAOYSA-N,C18HF35O2,914.1,913.9417649,11.6,37.3,1440,0,1,37,16,55,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"SILANETRIOL, METHYL-, SODIUM SALT",016589-43-8,14009234,trisodium;methyl(trioxido)silane,C[Si]([O-])([O-])[O-].[Na+].[Na+].[Na+],"InChI=1S/CH3O3Si.3Na/c1-5(2,3)4;;;/h1H3;;;/q-3;3*+1",TYWKEXJQDDWAAM-UHFFFAOYSA-N,CH3Na3O3Si,160.09,159.9544533,,69.2,28,0,0,3,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
".BETA.-ALANINE, MONOSODIUM SALT",016690-93-0,23674880,sodium 3-aminopropanoate,C(CN)C(=O)[O-].[Na+],"InChI=1S/C3H7NO2.Na/c4-2-1-3(5)6;/h1-2,4H2,(H,5,6);/q;+1/p-1",QKJPFZCCZMBRFB-UHFFFAOYSA-M,C3H6NNaO2,111.08,111.0296227,,66.2,56,0,1,3,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ZIRCONATE(2-), HEXAFLUORO-, DISODIUM, (OC-6-11)-",016925-26-1,167589,disodium;zirconium(4+);hexafluoride,[F-].[F-].[F-].[F-].[F-].[F-].[Na+].[Na+].[Zr+4],InChI=1S/6FH.2Na.Zr/h6*1H;;;/q;;;;;;2*+1;+4/p-6,KSYURTCLCUKLSF-UHFFFAOYSA-H,F6Na2Zr,251.19,249.874656,,0,0,0,0,6,0,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
BROMOOCTYLMAGNESIUM,017049-49-9,86923,magnesium;octane;bromide,CCCCCCC[CH2-].[Mg+2].[Br-],"InChI=1S/C8H17.BrH.Mg/c1-3-5-7-8-6-4-2;;/h1,3-8H2,2H3;1H;/q-1;;+2/p-1",IOOQQIVFCFWSIU-UHFFFAOYSA-M,C8H17BrMg,217.43,216.0364,,0,40,0,0,2,5,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"SILANE, DICHLOROBIS(1,1-DIMETHYLETHYL)-",018395-90-9,87624,ditert-butyl(dichloro)silane,CC(C)(C)[Si](C(C)(C)C)(Cl)Cl,"InChI=1S/C8H18Cl2Si/c1-7(2,3)11(9,10)8(4,5)6/h1-6H3",PDYPRPVKBUOHDH-UHFFFAOYSA-N,C8H18Cl2Si,213.22,212.0554825,,0,123,0,0,0,2,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"RUTHENIUM, TRICHLORONITROSYL-",018902-42-6,53384400,nitroxyl anion;ruthenium(4+);trichloride,[N-]=O.[Cl-].[Cl-].[Cl-].[Ru+4],InChI=1S/3ClH.NO.Ru/c;;;1-2;/h3*1H;;/q;;;-1;+4/p-3,AUWSZCCJRSCQEP-UHFFFAOYSA-K,Cl3NORu,237.4,236.808887,,18.1,2,0,0,5,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHATE(1-), HEXAFLUORO-, NITRYL",019200-21-6,45933661,nitronium hexafluorophosphate,[N+](=O)=O.F[P-](F)(F)(F)(F)F,"InChI=1S/F6P.NO2/c1-7(2,3,4,5)6;2-1-3/q-1;+1",DXWZKTLGZWTYPL-UHFFFAOYSA-N,F6NO2P,190.97,190.9570842,,35.1,81,0,0,9,0,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
1-TRIDECANETHIOL,019484-26-5,29634,tridecane-1-thiol,CCCCCCCCCCCCCS,"InChI=1S/C13H28S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3",IPBROXKVGHZHJV-UHFFFAOYSA-N,C13H28S,216.43,216.1911721,6.6,1,91,0,1,1,11,14,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"HEXANOIC ACID, 2-ETHYL-, RHODIUM(3+) SALT",020845-92-5,89395,tris(2-ethylhexanoate);rhodium(3+),CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Rh+3],"InChI=1S/3C8H16O2.Rh/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3",BMTDZORNBFQUEA-UHFFFAOYSA-K,C24H45O6Rh,532.5,532.22711,,120,93,0,0,6,12,31,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
"NONANOIC ACID, 2-METHYL-",024323-21-5,91166,2-methylnonanoic acid,CCCCCCCC(C)C(=O)O,"InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9(2)10(11)12/h9H,3-8H2,1-2H3,(H,11,12)",KUSYIGBGHPOWEL-UHFFFAOYSA-N,C10H20O2,172.26,172.1463299,4,37.3,121,0,1,2,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, AMMONIUM ZINC SALT",024846-92-2,168206,azanium;zinc;triacetate,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[NH4+].[Zn+2],"InChI=1S/3C2H4O2.H3N.Zn/c3*1-2(3)4;;/h3*1H3,(H,3,4);1H3;/q;;;;+2/p-2",PVKFMRXEWAAGSZ-UHFFFAOYSA-L,C6H13NO6Zn,260.6,259.003429,,121,25,0,1,6,0,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, MONOETHYL ESTER, DIAMMONIUM SALT",024856-79-9,90632,azane;ethyl dihydrogen phosphate,CCOP(=O)(O)O.N.N,"InChI=1S/C2H7O4P.2H3N/c1-2-6-7(3,4)5;;/h2H2,1H3,(H2,3,4,5);2*1H3",XRVFPYDPBSDLAD-UHFFFAOYSA-N,C2H13N2O4P,160.11,160.0612939,,68.8,83,0,4,6,2,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"9,12-OCTADECADIENOIC ACID (Z,Z)-, ANHYDRIDE",024909-68-0,90646,"octadeca-9,12-dienoyl octadeca-9,12-dienoate",CCCCCC=CCC=CCCCCCCCC(=O)OC(=O)CCCCCCCC=CCC=CCCCCC,"InChI=1S/C36H62O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20H,3-10,15-16,21-34H2,1-2H3",BDTYMGCNULYACO-UHFFFAOYSA-N,C36H62O3,542.9,542.4698958,13.5,43.4,600,0,0,3,30,39,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"STANNANE, DIBUTYLBIS[(1-OXONEODECYL)OXY]-",025168-22-3,16683940,[dibutyl(decanoyloxy)stannyl] decanoate,CCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCC,"InChI=1S/2C10H20O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10(11)12;2*1-3-4-2;/h2*2-9H2,1H3,(H,11,12);2*1,3-4H2,2H3;/q;;;;+2/p-2",MMEFASXEQMDPAW-UHFFFAOYSA-L,C28H56O4Sn,575.5,576.320063,,52.6,425,0,0,4,26,33,,,1,0,0,0,0,0,1,1,0,0,1,0,0,1,0,0,1,1,1,1
"ETHANOL, 2-[2-[2-(HEXYLOXY)ETHOXY]ETHOXY]-",025961-89-1,94362,2-[2-(2-hexoxyethoxy)ethoxy]ethanol,CCCCCCOCCOCCOCCO,"InChI=1S/C12H26O4/c1-2-3-4-5-7-14-9-11-16-12-10-15-8-6-13/h13H,2-12H2,1H3",RGICCULPCWNRAB-UHFFFAOYSA-N,C12H26O4,234.33,234.1831093,1.6,47.9,120,0,1,4,13,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANENITRILE, 3-(9-OCTADECENYLAMINO)-, (Z)-",026351-32-6,6438051,3-[[(Z)-octadec-9-enyl]amino]propanenitrile,CCCCCCCC/C=C\CCCCCCCCNCCC#N,"InChI=1S/C21H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h9-10,23H,2-8,11-18,20-21H2,1H3/b10-9-",WFWQUQYVEYXMPO-KTKRTIGZSA-N,C21H40N2,320.6,320.3191493,7.4,35.8,287,0,1,2,18,23,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-PROPANOL, 3-AMINO-2,2-DIMETHYL-",026734-09-8,117326,"3-amino-2,2-dimethylpropan-1-ol",CC(C)(CN)CO,"InChI=1S/C5H13NO/c1-5(2,3-6)4-7/h7H,3-4,6H2,1-2H3",FNVOFDGAASRDQY-UHFFFAOYSA-N,C5H13NO,103.16,103.099714,-0.2,46.3,52,0,2,2,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-BUTANESULFONIC ACID, 4-HYDROXY-",026978-64-3,96391,4-hydroxybutane-1-sulfonic acid,C(CCS(=O)(=O)O)CO,"InChI=1S/C4H10O4S/c5-3-1-2-4-9(6,7)8/h5H,1-4H2,(H,6,7,8)",YEGPVWSPNYPPIK-UHFFFAOYSA-N,C4H10O4S,154.19,154.02998,-0.9,83,142,0,2,4,4,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORODITHIOIC ACID, O,O-DIISOOCTYL ESTER",026999-29-1,117907,bis(6-methylheptoxy)-sulfanyl-sulfanylidene-lambda5-phosphane,CC(C)CCCCCOP(=S)(OCCCCCC(C)C)S,"InChI=1S/C16H35O2PS2/c1-15(2)11-7-5-9-13-17-19(20,21)18-14-10-6-8-12-16(3)4/h15-16H,5-14H2,1-4H3,(H,20,21)",DXECDJILNIXBML-UHFFFAOYSA-N,C16H35O2PS2,354.6,354.1816097,7.9,51.6,259,0,1,4,14,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, CHROMIUM(3+) SALT (3:1)",027096-04-4,161552,chromium(3+) triphosphate,[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Cr+3],"InChI=1S/Cr.3H3O4P/c;3*1-5(2,3)4/h;3*(H3,1,2,3,4)/q+3;;;/p-9",OOUMMVQQCICTGF-UHFFFAOYSA-E,CrO12P3-6,336.91,336.800766,,259,36,-6,0,12,0,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"PHOSPHORODITHIOIC ACID, O,O-BIS(1-METHYLETHYL) ESTER, SODIUM SALT",027205-99-8,23681152,sodium di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane,CC(C)OP(=S)(OC(C)C)[S-].[Na+],"InChI=1S/C6H15O2PS2.Na/c1-5(2)7-9(10,11)8-6(3)4;/h5-6H,1-4H3,(H,10,11);/q;+1/p-1",ZRNMDYDECQBXQW-UHFFFAOYSA-M,C6H14NaO2PS2,236.3,236.0070533,,51.6,150,0,0,4,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANOYL FLUORIDE, 2,3,3,3-TETRAFLUORO-2-[1,1,2,3,3,3-HEXAFLUORO-2-[1,1,2,3,3",027639-98-1,119616,"2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propanoyl fluoride",C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)F,"InChI=1S/C12F24O4/c13-1(37)2(14,6(19,20)21)38-11(33,34)4(17,8(25,26)27)40-12(35,36)5(18,9(28,29)30)39-10(31,32)3(15,16)7(22,23)24",IIYQDKPSLAINNX-UHFFFAOYSA-N,C12F24O4,664.09,663.9413344,8.2,44.8,928,0,0,28,10,40,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"3-PENTANONE, 1-HYDROXY-2-METHYL-",027970-79-2,161588,1-hydroxy-2-methylpentan-3-one,CCC(=O)C(C)CO,"InChI=1S/C6H12O2/c1-3-6(8)5(2)4-7/h5,7H,3-4H2,1-2H3",JYEMLYGXHDIVRA-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,0.2,37.3,78,0,1,2,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"PHOSPHONOUS DICHLORIDE, 1,2-ETHANEDIYLBIS-",028240-69-9,119904,dichloro(2-dichlorophosphanylethyl)phosphane,C(CP(Cl)Cl)P(Cl)Cl,InChI=1S/C2H4Cl4P2/c3-7(4)1-2-8(5)6/h1-2H2,SBWAJHLQMFBNIN-UHFFFAOYSA-N,C2H4Cl4P2,231.8,231.851285,2.8,0,48,0,0,0,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"FORMAMIDE, N,N-DIMETHYL-, COMPD. WITH SULFUR TRIOXIDE (1:1)",029584-42-7,169056,"N,N-dimethylformamide;sulfur trioxide",CN(C)C=O.O=S(=O)=O,"InChI=1S/C3H7NO.O3S/c1-4(2)3-5;1-4(2)3/h3H,1-2H3;",AFDQGRURHDVABZ-UHFFFAOYSA-N,C3H7NO4S,153.16,153.0095789,,72.5,95,0,0,4,0,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, BROMO-, 1-METHYLETHYL ESTER",029921-57-1,121593,propan-2-yl 2-bromoacetate,CC(C)OC(=O)CBr,"InChI=1S/C5H9BrO2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3",JCWLEWKPXYZHGQ-UHFFFAOYSA-N,C5H9BrO2,181.03,179.97859,1.7,26.3,80,0,0,2,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"SILANETRIOL, METHYL-, POTASSIUM SALT",031795-24-1,23689131,potassium dihydroxy-methyl-oxidosilane,C[Si](O)(O)[O-].[K+],"InChI=1S/CH5O3Si.K/c1-5(2,3)4;/h2-3H,1H3;/q-1;+1",MQGFFOISLVUDQU-UHFFFAOYSA-N,CH5KO3Si,132.23,131.964502,,63.5,37,0,2,3,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANAMINIUM, 2-HYDROXY-N,N-BIS(2-HYDROXYETHYL)-N-METHYL-, HYDROXIDE",033667-48-0,118525,tris(2-hydroxyethyl)-methylazanium hydroxide,C[N+](CCO)(CCO)CCO.[OH-],"InChI=1S/C7H18NO3.H2O/c1-8(2-5-9,3-6-10)4-7-11;/h9-11H,2-7H2,1H3;1H2/q+1;/p-1",IJGSGCGKAAXRSC-UHFFFAOYSA-M,C7H19NO4,181.23,181.1314081,,61.7,80,0,4,4,6,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHONIC ACID, [[(PHOSPHONOMETHYL)IMINO]BIS[6,1-HEXANEDIYLNITRILOBIS(METHYLE",034690-00-1,118717,[bis[6-[bis(phosphonomethyl)amino]hexyl]amino]methylphosphonic acid,C(CCCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O,"InChI=1S/C17H44N3O15P5/c21-36(22,23)13-18(9-5-1-3-7-11-19(14-37(24,25)26)15-38(27,28)29)10-6-2-4-8-12-20(16-39(30,31)32)17-40(33,34)35/h1-17H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)",YWMWZKYVGNWJPU-UHFFFAOYSA-N,C17H44N3O15P5,685.4,685.1460527,-12.3,297,846,0,10,18,24,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3,6,9,12-TETRAOXAPENTADECANOYL FLUORIDE, 2,4,4,5,7,7,8,10,10,11,13,13,14,14,15",034761-47-2,118188,"2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propanoyl fluoride",C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)F,"InChI=1S/C15F30O5/c16-1(46)2(17,7(23,24)25)47-13(40,41)4(20,9(29,30)31)49-15(44,45)6(22,11(35,36)37)50-14(42,43)5(21,10(32,33)34)48-12(38,39)3(18,19)8(26,27)28",QDHLRGOEEBWEIB-UHFFFAOYSA-N,C15F30O5,830.11,829.926668,10.3,54,1230,0,0,35,13,50,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANOL, 2-(PENTYLAMINO)-",035161-67-2,97502,2-(pentylamino)ethanol,CCCCCNCCO,"InChI=1S/C7H17NO/c1-2-3-4-5-8-6-7-9/h8-9H,2-7H2,1H3",SALYKAIZVOFAEJ-UHFFFAOYSA-N,C7H17NO,131.22,131.1310142,0.9,32.3,48,0,2,2,6,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"3-PENTENOIC ACID, 2-METHYL-",037674-63-8,61969,2-methylpent-3-enoic acid,CC=CC(C)C(=O)O,"InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3-5H,1-2H3,(H,7,8)",NFRJJFMXYKSRPK-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,1.3,37.3,105,0,1,2,2,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-DODECYL-.OMEGA.-HYDROXY-, PHOSPHATE",039464-66-9,93216,2-dodecoxyethanol;phosphoric acid,CCCCCCCCCCCCOCCO.OP(=O)(O)O,"InChI=1S/C14H30O2.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15;1-5(2,3)4/h15H,2-14H2,1H3;(H3,1,2,3,4)",SGOWHAISCQQAPM-UHFFFAOYSA-N,C14H33O6P,328.38,328.2014758,,107,165,0,4,6,13,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-BUTANOL, 4-AMINO-",039884-48-5,170254,4-aminobutan-2-ol,CC(CCN)O,"InChI=1S/C4H11NO/c1-4(6)2-3-5/h4,6H,2-3,5H2,1H3",NAXUFNXWXFZVSI-UHFFFAOYSA-N,C4H11NO,89.14,89.08406397,-0.6,46.3,30,0,2,2,2,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, PHOSPHINICOBIS(OXY-2,1-ETHANEDIYL) ESTER",040074-34-8,170271,2-[hydroxy(2-prop-2-enoyloxyethoxy)phosphoryl]oxyethyl prop-2-enoate,C=CC(=O)OCCOP(=O)(O)OCCOC(=O)C=C,"InChI=1S/C10H15O8P/c1-3-9(11)15-5-7-17-19(13,14)18-8-6-16-10(12)4-2/h3-4H,1-2,5-8H2,(H,13,14)",WAJJFPMYKWCDNI-UHFFFAOYSA-N,C10H15O8P,294.19,294.0504544,-0.1,108,346,0,1,8,12,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"9-OCTADECENOIC ACID (Z)-, 2-(DIETHYLAMINO)ETHYL ESTER",045296-12-6,170760,2-(diethylamino)ethyl octadec-9-enoate,CCCCCCCCC=CCCCCCCCC(=O)OCCN(CC)CC,"InChI=1S/C24H47NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)27-23-22-25(5-2)6-3/h13-14H,4-12,15-23H2,1-3H3",VWTYZZXUXJVLIO-UHFFFAOYSA-N,C24H47NO2,381.6,381.3606797,8.4,29.5,337,0,0,3,21,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"GLYCINE, N-METHYL-N-(1-OXOTETRADECYL)-",052558-73-3,104234,2-[methyl(tetradecanoyl)amino]acetic acid,CCCCCCCCCCCCCC(=O)N(C)CC(=O)O,"InChI=1S/C17H33NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(19)18(2)15-17(20)21/h3-15H2,1-2H3,(H,20,21)",NGOZDSMNMIRDFP-UHFFFAOYSA-N,C17H33NO3,299.4,299.2460439,5.6,57.6,279,0,1,3,14,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORODITHIOIC ACID, O,O-BIS(2-METHYLPROPYL) ESTER, SODIUM SALT",053378-51-1,23688597,sodium bis(2-methylpropoxy)-sulfanylidene-sulfido-lambda5-phosphane,CC(C)COP(=S)(OCC(C)C)[S-].[Na+],"InChI=1S/C8H19O2PS2.Na/c1-7(2)5-9-11(12,13)10-6-8(3)4;/h7-8H,5-6H2,1-4H3,(H,12,13);/q;+1/p-1",FOYPFIDVYRCZKA-UHFFFAOYSA-M,C8H18NaO2PS2,264.3,264.0383534,,51.6,172,0,0,4,6,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHOROTHIOIC ACID, O,O-BIS(2-METHYLPROPYL) ESTER, SODIUM SALT",053378-52-2,23681713,sodium bis(2-methylpropoxy)-oxido-sulfanylidene-lambda5-phosphane,CC(C)COP(=S)([O-])OCC(C)C.[Na+],"InChI=1S/C8H19O3PS.Na/c1-7(2)5-10-12(9,13)11-6-8(3)4;/h7-8H,5-6H2,1-4H3,(H,9,13);/q;+1/p-1",VVTVDXPOGQYVFX-UHFFFAOYSA-M,C8H18NaO3PS,248.26,248.0611969,,73.6,171,0,0,4,6,14,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"OCTANOIC ACID, 4-METHYL-",054947-74-9,62089,4-methyloctanoic acid,CCCCC(C)CCC(=O)O,"InChI=1S/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)",LEGGANXCVQPIAI-UHFFFAOYSA-N,C9H18O2,158.24,158.1306798,3,37.3,110,0,1,2,6,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-(CARBOXYMETHYL)-.OMEGA.-(TRIDECYLOXY)-",056388-96-6,62114,2-(2-tridecoxyethoxy)acetic acid,CCCCCCCCCCCCCOCCOCC(=O)O,"InChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-14-15-21-16-17(18)19/h2-16H2,1H3,(H,18,19)",YZSYVEVDNXPMQU-UHFFFAOYSA-N,C17H34O4,302.4,302.2457096,5.7,55.8,219,0,1,4,17,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, (HEXYLOXY)-",057931-25-6,93845,2-hexoxyacetic acid,CCCCCCOCC(=O)O,"InChI=1S/C8H16O3/c1-2-3-4-5-6-11-7-8(9)10/h2-7H2,1H3,(H,9,10)",HJOGHUABHYACMH-UHFFFAOYSA-N,C8H16O3,160.21,160.1099444,2,46.5,102,0,1,3,7,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, DECYL ESTER",060476-40-6,108949,nonan-1-ol;phosphoric acid,CCCCCCCCCO.OP(=O)(O)O,"InChI=1S/C9H20O.H3O4P/c1-2-3-4-5-6-7-8-9-10;1-5(2,3)4/h10H,2-9H2,1H3;(H3,1,2,3,4)",OCLDMHBMRPQIMZ-UHFFFAOYSA-N,C9H23O5P,242.25,242.1283108,,98,102,0,4,5,7,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"SILANEDIOL, (1,1-DIMETHYLETHOXY)ETHENYL-, DIACETATE",064426-40-0,116619,[acetyloxy-ethenyl-[(2-methylpropan-2-yl)oxy]silyl] acetate,CC(=O)O[Si](C=C)(OC(=O)C)OC(C)(C)C,"InChI=1S/C10H18O5Si/c1-7-16(13-8(2)11,14-9(3)12)15-10(4,5)6/h7H,1H2,2-6H3",MKIGOIXSOYVYHF-UHFFFAOYSA-N,C10H18O5Si,246.33,246.0923502,,61.8,276,0,0,5,7,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
HENTRIACONTAFLUOROHEXADECANOIC ACID,067905-19-5,106027,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontafluorohexadecanoic acid",C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C16HF31O2/c17-2(18,1(48)49)3(19,20)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)16(45,46)47/h(H,48,49)",OJMBMWRMTMHMSZ-UHFFFAOYSA-N,C16HF31O2,814.13,813.9481523,10.3,37.3,1250,0,1,33,14,49,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PLATINATE (PT(OH)62-), (OC-6-11)-, DIHYDROGEN, COMPD. WITH 2-AMINOETHANOL (1:2",068133-90-4,176261,bis(2-aminoethanol);hydron;platinum(4+);hexahydroxide,[H+].[H+].C(CO)N.C(CO)N.[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Pt+4],"InChI=1S/2C2H7NO.6H2O.Pt/c2*3-1-2-4;;;;;;;/h2*4H,1-3H2;6*1H2;/q;;;;;;;;+4/p-4",MUXAIIZNFGJLPA-UHFFFAOYSA-J,C4H22N2O8Pt,421.31,421.10241,,98.5,10,0,12,10,2,15,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, DECYL OCTYL ESTER",068186-45-8,109690,heptyl nonyl hydrogen phosphate,CCCCCCCCCOP(=O)(O)OCCCCCCC,"InChI=1S/C16H35O4P/c1-3-5-7-9-10-12-14-16-20-21(17,18)19-15-13-11-8-6-4-2/h3-16H2,1-2H3,(H,17,18)",NYKANSKCKXDDMQ-UHFFFAOYSA-N,C16H35O4P,322.42,322.2272966,5.8,55.8,259,0,1,4,16,21,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, (3-METHYLBUTOXY)-",068298-29-3,109984,2-(3-methylbutoxy)acetic acid,CC(C)CCOCC(=O)O,"InChI=1S/C7H14O3/c1-6(2)3-4-10-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)",CLUKHRLTJBCIBD-UHFFFAOYSA-N,C7H14O3,146.18,146.0942943,1.4,46.5,99,0,1,3,5,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, 2-ETHYLHEXYL ESTER, COMPD. WITH 2-AMINOETHANOL",068425-72-9,90659418,2-aminoethanol;2-ethylhexyl dihydrogen phosphate,CCCCC(CC)COP(=O)(O)O.C(CO)N,"InChI=1S/C8H19O4P.C2H7NO/c1-3-5-6-8(4-2)7-12-13(9,10)11;3-1-2-4/h8H,3-7H2,1-2H3,(H2,9,10,11);4H,1-3H2",TZFAFCBACSPDPK-UHFFFAOYSA-N,C10H26NO5P,271.29,271.1548599,,113,176,0,4,6,8,17,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHORIC ACID, HEXYL ESTER",068511-03-5,87717882,hexan-1-ol;phosphoric acid,CCCCCCO.OP(=O)(O)O,"InChI=1S/C6H14O.H3O4P/c1-2-3-4-5-6-7;1-5(2,3)4/h7H,2-6H2,1H3;(H3,1,2,3,4)",KWXUGQMPTMYZDT-UHFFFAOYSA-N,C6H17O5P,200.17,200.0813606,,98,77,0,4,5,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, ETHYL ESTER, AMMONIUM SALT",068647-23-4,44146070,diazanium;ethyl phosphate,CCOP(=O)([O-])[O-].[NH4+].[NH4+],"InChI=1S/C2H7O4P.2H3N/c1-2-6-7(3,4)5;;/h2H2,1H3,(H2,3,4,5);2*1H3",XRVFPYDPBSDLAD-UHFFFAOYSA-N,C2H13N2O4P,160.11,160.0612939,,74.4,72,0,2,4,1,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANOL, 2-(2-BUTOXYETHOXY)-, PHOSPHATE",068814-09-5,173028,2-(2-butoxyethoxy)ethyl dihydrogen phosphate,CCCCOCCOCCOP(=O)(O)O,"InChI=1S/C8H19O6P/c1-2-3-4-12-5-6-13-7-8-14-15(9,10)11/h2-8H2,1H3,(H2,9,10,11)",LKPWWJFRGYSIFA-UHFFFAOYSA-N,C8H19O6P,242.21,242.0919253,-0.6,85.2,180,0,2,6,10,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"FORMIC ACID, AMMONIUM SALT (4:1)",070179-79-2,155559,azane;formic acid,C(=O)O.C(=O)O.C(=O)O.C(=O)O.N,"InChI=1S/4CH2O2.H3N/c4*2-1-3;/h4*1H,(H,2,3);1H3",FVIBNHDGNPGXDN-UHFFFAOYSA-N,C4H11NO8,201.13,201.0484663,,150,10,0,5,9,0,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"SULFURIC ACID, MONO(2-ETHYLHEXYL) ESTER, AMMONIUM SALT",070495-37-3,53470896,azanium 2-ethylhexyl sulfate,CCCCC(CC)COS(=O)(=O)[O-].[NH4+],"InChI=1S/C8H18O4S.H3N/c1-3-5-6-8(4-2)7-12-13(9,10)11;/h8H,3-7H2,1-2H3,(H,9,10,11);1H3",ZJSHKBMGBWALPK-UHFFFAOYSA-N,C8H21NO4S,227.32,227.1191293,,75.8,191,0,1,4,6,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-DECANAMINE, N-DECYL-N-METHYL-, N-OXIDE",100545-50-4,93529,N-decyl-N-methyldecan-1-amine oxide,CCCCCCCCCC[N+](C)(CCCCCCCCCC)[O-],"InChI=1S/C21H45NO/c1-4-6-8-10-12-14-16-18-20-22(3,23)21-19-17-15-13-11-9-7-5-2/h4-21H2,1-3H3",GATZCJINVHTSTO-UHFFFAOYSA-N,C21H45NO,327.6,327.3501151,8.7,18.1,210,0,0,1,18,23,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"ZIRCONIUM, TRIS[2-[(2-AMINOETHYL)AMINO]ETHANOLATO-O][2,2-BIS[(2-PROPENYLOXY)ME",103373-95-1,71300658,"tris(2-(2-aminoethylamino)ethanol);2,2-bis(prop-2-enoxymethyl)butan-1-ol;zirconium",CCC(CO)(COCC=C)COCC=C.C(CNCCO)N.C(CNCCO)N.C(CNCCO)N.[Zr],"InChI=1S/C12H22O3.3C4H12N2O.Zr/c1-4-7-14-10-12(6-3,9-13)11-15-8-5-2;3*5-1-2-6-3-4-7;/h4-5,13H,1-2,6-11H2,3H3;3*6-7H,1-5H2;",FVNPWCGREJXBCI-UHFFFAOYSA-N,C24H58N6O6Zr,618,616.346482,,214,367,0,10,12,22,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,1,0,0
".BETA.-ALANINE, N,N-BIS(CARBOXYMETHYL)-, TRISODIUM SALT",129050-62-0,14597623,trisodium;3-[bis(carboxylatomethyl)amino]propanoate,C(CN(CC(=O)[O-])CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+],"InChI=1S/C7H11NO6.3Na/c9-5(10)1-2-8(3-6(11)12)4-7(13)14;;;/h1-4H2,(H,9,10)(H,11,12)(H,13,14);;;/q;3*+1/p-3",IVZOJBMAVRDAOD-UHFFFAOYSA-K,C7H8NNa3O6,271.11,271.0044698,,124,206,0,0,7,4,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
TETRAPENTYLAMMONIUM HYDROXIDE,004598-61-2,14325059,tetrapentylazanium hydroxide,CCCCC[N+](CCCCC)(CCCCC)CCCCC.[OH-],"InChI=1S/C20H44N.H2O/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H2/q+1;/p-1",JVOPCCBEQRRLOJ-UHFFFAOYSA-M,C20H45NO,315.6,315.3501151,,1,155,0,1,1,16,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TETRAHEXYLAMMONIUM HYDROXIDE,017756-56-8,13998878,tetrahexylazanium hydroxide,CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[OH-],"InChI=1S/C24H52N.H2O/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;/h5-24H2,1-4H3;1H2/q+1;/p-1",JCJNUSDBRRKQPC-UHFFFAOYSA-M,C24H53NO,371.7,371.4127153,,1,195,0,1,1,20,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ETHYLENEDIAMINE TRIACETIC ACID, TRISODIUM SALT",019019-43-3,167781,trisodium;2-[2-[bis(carboxylatomethyl)amino]ethylamino]acetate,C(CN(CC(=O)[O-])CC(=O)[O-])NCC(=O)[O-].[Na+].[Na+].[Na+],"InChI=1S/C8H14N2O6.3Na/c11-6(12)3-9-1-2-10(4-7(13)14)5-8(15)16;;;/h9H,1-5H2,(H,11,12)(H,13,14)(H,15,16);;;/q;3*+1/p-3",WLMMGNLFDSJGOG-UHFFFAOYSA-K,C8H11N2Na3O6,300.15,300.0310189,,136,235,0,1,8,6,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
phosphazene base p(2)-tert-butyl,111324-03-9,4275357,N-[tert-butylimino-(dimethylamino)-[[tris(dimethylamino)-lambda5-phosphanylidene]amino]-lambda5-phosphanyl]-N-methylmethanamine,CC(C)(C)N=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C,"InChI=1S/C14H39N7P2/c1-14(2,3)15-22(17(4)5,18(6)7)16-23(19(8)9,20(10)11)21(12)13/h1-13H3",CJTQESMNKMUZAO-UHFFFAOYSA-N,C14H39N7P2,367.45,367.2742183,2.4,40.9,447,0,0,7,7,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
METHYLTRIBUTYLAMMONIUM HYDROXIDE,32680-30-1,36208,tributyl(methyl)azanium hydroxide,CCCC[N+](C)(CCCC)CCCC.[OH-],"InChI=1S/C13H30N.H2O/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H2/q+1;/p-1",QVOFCQBZXGLNAA-UHFFFAOYSA-M,C13H31NO,217.39,217.2405646,,1,98,0,1,1,9,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PHOSPHAZENE BASE P4-T-BU-SOLUTION,111324-04-0,4339838,N-[[tert-butylimino-bis[[tris(dimethylamino)-lambda5-phosphanylidene]amino]-lambda5-phosphanyl]imino-bis(dimethylamino)-lambda5-phosphanyl]-N-methylmethanamine,CC(C)(C)N=P(N=P(N(C)C)(N(C)C)N(C)C)(N=P(N(C)C)(N(C)C)N(C)C)N=P(N(C)C)(N(C)C)N(C)C,"InChI=1S/C22H63N13P4/c1-22(2,3)23-36(24-37(27(4)5,28(6)7)29(8)9,25-38(30(10)11,31(12)13)32(14)15)26-39(33(16)17,34(18)19)35(20)21/h1-21H3",NSRBCQCXZAYQHF-UHFFFAOYSA-N,C22H63N13P4,633.7,633.4279871,3.7,78.6,820,0,0,13,13,39,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-ETHYLHEXANOL PHOSPHATE, DIETHANOLAMINE SALT",073070-48-1,175406,2-ethylhexyl dihydrogen phosphate;2-(2-hydroxyethylamino)ethanol,CCCCC(CC)COP(=O)(O)O.C(CO)NCCO,"InChI=1S/C8H19O4P.C4H11NO2/c1-3-5-6-8(4-2)7-12-13(9,10)11;6-3-1-5-2-4-7/h8H,3-7H2,1-2H3,(H2,9,10,11);5-7H,1-4H2",AMQKEJDPYCXDMK-UHFFFAOYSA-N,C12H30NO6P,315.34,315.1810747,,119,194,0,5,7,11,20,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
N-(2-((carboxymethyl)amino)ethyl)-N-(2-hydroxyethyl)-Glycine,062099-15-4,6454342,disodium;2-[2-[carboxylatomethyl(2-hydroxyethyl)amino]ethylamino]acetate,C(CN(CCO)CC(=O)[O-])NCC(=O)[O-].[Na+].[Na+],"InChI=1S/C8H16N2O5.2Na/c11-4-3-10(6-8(14)15)2-1-9-5-7(12)13;;/h9,11H,1-6H2,(H,12,13)(H,14,15);;/q;2*+1/p-2",XCCCVBYCQIOWMA-UHFFFAOYSA-L,C8H14N2Na2O5,264.19,264.0698101,,116,198,0,2,7,7,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
(2-ETHYLHEXYL)MAGNESIUM BROMIDE,090224-21-8,14915511,magnesium;3-methanidylheptane;bromide,CCCCC([CH2-])CC.[Mg+2].[Br-],"InChI=1S/C8H17.BrH.Mg/c1-4-6-7-8(3)5-2;;/h8H,3-7H2,1-2H3;1H;/q-1;;+2/p-1",CFPKVQBKKLRQHZ-UHFFFAOYSA-M,C8H17BrMg,217.43,216.0364,,0,48,0,0,2,4,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM 2-(1-CARBOXYLATOETHOXY)-1-METHYL-2-OXOETHYL LAURATE,013557-75-0,23674328,sodium 2-(2-dodecanoyloxypropanoyloxy)propanoate,CCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-].[Na+],"InChI=1S/C18H32O6.Na/c1-4-5-6-7-8-9-10-11-12-13-16(19)23-15(3)18(22)24-14(2)17(20)21;/h14-15H,4-13H2,1-3H3,(H,20,21);/q;+1/p-1",NTYZDAJPNNBYED-UHFFFAOYSA-M,C18H31NaO6,366.4,366.201833,,92.7,386,0,0,6,16,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TETRAOCTYLPHOSPHONIUM BROMIDE,023906-97-0,3015167,tetraoctylphosphanium bromide,CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[Br-],"InChI=1S/C32H68P.BrH/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;1H/q+1;/p-1",QVBRLOSUBRKEJW-UHFFFAOYSA-M,C32H68BrP,563.8,562.4242,,0,281,0,0,1,28,34,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
DIMETHYLDIPROPYLAMMONIUM HYDROXIDE,836597-65-0,22056564,dimethyl(dipropyl)azanium hydroxide,CCC[N+](C)(C)CCC.[OH-],"InChI=1S/C8H20N.H2O/c1-5-7-9(3,4)8-6-2;/h5-8H2,1-4H3;1H2/q+1;/p-1",OSSXLTCIVXOQNK-UHFFFAOYSA-M,C8H21NO,147.26,147.1623143,,1,59,0,1,1,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
LITHIUM(TRIMETHYLSILYL)ACETYLIDE,054655-07-1,3431600,lithium ethynyl(trimethyl)silane,[Li+].C[Si](C)(C)C#[C-],"InChI=1S/C5H9Si.Li/c1-5-6(2,3)4;/h2-4H3;/q-1;+1",WDDOQHLJFOUQMW-UHFFFAOYSA-N,C5H9LiSi,104.2,104.0633553,,0,82,0,0,1,1,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
NDSB-211,038880-58-9,4985784,3-[2-hydroxyethyl(dimethyl)azaniumyl]propane-1-sulfonate,C[N+](C)(CCCS(=O)(=O)[O-])CCO,"InChI=1S/C7H17NO4S/c1-8(2,5-6-9)4-3-7-13(10,11)12/h9H,3-7H2,1-2H3",CNXPCGBLGHKAIL-UHFFFAOYSA-N,C7H17NO4S,211.28,211.0878292,-1.2,85.8,216,0,1,4,5,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ZIRCONIUM NITRATE,016092-48-1,23619099,zirconium(4+) nitrate,[N+](=O)([O-])[O-].[Zr+4],InChI=1S/NO3.Zr/c2-1(3)4;/q-1;+4,JHHSIWYRUIFENY-UHFFFAOYSA-N,NO3Zr+3,153.23,151.892517,,62.9,18,3,0,3,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHORIC ACID, BUTYL ESTER",012788-93-1,3033844,butan-1-ol;phosphoric acid,CCCCO.OP(=O)(O)O,"InChI=1S/C4H10O.H3O4P/c1-2-3-4-5;1-5(2,3)4/h5H,2-4H2,1H3;(H3,1,2,3,4)",FJTUUPVRIANHEX-UHFFFAOYSA-N,C4H13O5P,172.12,172.0500605,,98,62,0,4,5,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
METHYLPHOSPHONOTHIOIC DICHLORIDE,000676-98-2,61195,dichloro-methyl-sulfanylidene-lambda5-phosphane,CP(=S)(Cl)Cl,"InChI=1S/CH3Cl2PS/c1-4(2,3)5/h1H3",TUNCWCIKOHOGJX-UHFFFAOYSA-N,CH3Cl2PS,148.98,147.9070137,2.7,32.1,64,0,0,1,0,5,"greater than 122 °F (USCG, 1999)",,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
(2H2)PHOSPHINIC (2H)ACID,057583-56-9,3085127,,[2H]OP(=O)([2H])[2H],"InChI=1S/H3O2P/c1-3-2/h3H2,(H,1,2)/i3D2/hD",ACVYVLVWPXVTIT-DZCFLQKHSA-N,H3O2P,69.015,69.00589657,-1.1,37.3,10,0,1,2,0,3,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"SEBACIC ACID, COMPOUND WITH 2-AMINOETHANOL",082801-62-5,44144777,2-aminoethanol;decanedioic acid,C(CCCCC(=O)O)CCCC(=O)O.C(CO)N,"InChI=1S/C10H18O4.C2H7NO/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;3-1-2-4/h1-8H2,(H,11,12)(H,13,14);4H,1-3H2",ZMKRMBQUHAYUCL-UHFFFAOYSA-N,C12H25NO5,263.33,263.1732729,,121,167,0,4,6,10,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
STRONTIUM OXIDE,001314-11-0,73975,strontium oxygen(2-),[O-2].[Sr+2],InChI=1S/O.Sr/q-2;+2,IATRAKWUXMZMIY-UHFFFAOYSA-N,OSr,103.62,103.9005269,,1,0,0,0,1,0,2,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SAMARIUM HYDROXIDE,020403-06-9,88524,samarium(3+) trihydroxide,[OH-].[OH-].[OH-].[Sm+3],InChI=1S/3H2O.Sm/h3*1H2;/q;;;+3/p-3,BCYBEIXXOVNETJ-UHFFFAOYSA-K,H3O3Sm,201.4,202.92796,,3,0,0,3,3,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IRON(II) FLUORIDE,007789-28-8,82237,iron(2+) difluoride,[F-].[F-].[Fe+2],InChI=1S/2FH.Fe/h2*1H;/q;;+2/p-2,FZGIHSNZYGFUGM-UHFFFAOYSA-L,F2Fe,93.84,93.931742,,0,0,0,0,2,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TIN (II) BROMIDE,010031-24-0,66224,dibromotin,Br[Sn]Br,InChI=1S/2BrH.Sn/h2*1H;/q;;+2/p-2,ZSUXOVNWDZTCFN-UHFFFAOYSA-L,Br2Sn,278.52,279.73683,,0,2,0,0,0,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
GALLIUM TETRACHLOROGALLATE,024597-12-4,20836016,gallium tris(tetrachlorogallanuide),Cl[Ga-](Cl)(Cl)Cl.Cl[Ga-](Cl)(Cl)Cl.Cl[Ga-](Cl)(Cl)Cl.[Ga+3],InChI=1S/12ClH.4Ga/h12*1H;;;;/q;;;;;;;;;;;;4*+3/p-12,LNKHPDYBAQHZBQ-UHFFFAOYSA-B,Cl12Ga4,704.3,703.31881,,0,19,0,0,3,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, ETHYL ESTER",037203-76-2,93197,ethanol;phosphoric acid,CCO.OP(=O)(O)O,"InChI=1S/C2H6O.H3O4P/c1-2-3;1-5(2,3)4/h3H,2H2,1H3;(H3,1,2,3,4)",PEZBJHXXIFFJBI-UHFFFAOYSA-N,C2H9O5P,144.06,144.0187604,,98,52,0,4,5,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PLATINUM(2+), TETRAAMMINEDIHYDROXY-",038201-97-7,167323,azane;platinum(2+);dihydroxide,N.N.N.N.[OH-].[OH-].[Pt+2],InChI=1S/4H3N.2H2O.Pt/h4*1H3;2*1H2;/q;;;;;;+2/p-2,VSKCDODNDPOZKS-UHFFFAOYSA-L,H14N4O2Pt,297.22,297.07647,,6,0,0,6,6,0,7,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"3-Pentenoic acid, 2-propyl-, sodium salt",,21263,pent-3-enoic acid,CC=CCC(=O)O,"InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2-3H,4H2,1H3,(H,6,7)",UIUWNILCHFBLEQ-UHFFFAOYSA-N,C5H8O2,100.12,100.0524295,0.8,37.3,84,0,1,2,2,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENE-1-SULFONIC ACID, SODIUM SALT, POLYMER WITH ETHENOL AND ETHENYL ACETA",107568-10-5,17238,prop-2-ene-1-sulfonic acid,C=CCS(=O)(=O)O,"InChI=1S/C3H6O3S/c1-2-3-7(4,5)6/h2H,1,3H2,(H,4,5,6)",UIIIBRHUICCMAI-UHFFFAOYSA-N,C3H6O3S,122.15,122.0037652,-0.2,62.8,138,0,1,3,2,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
2-[(HYDROXYMETHYL)AMINO]ETHANOL,,61929,2-(hydroxymethylamino)ethanol,C(CO)NCO,"InChI=1S/C3H9NO2/c5-2-1-4-3-6/h4-6H,1-3H2",NWPCFCBFUXXJIE-UHFFFAOYSA-N,C3H9NO2,91.11,91.06332853,-1.5,52.5,24,0,3,3,3,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PROPIONIC ACID,000079-09-4,1032,propanoic acid,CCC(=O)O,"InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)",XBDQKXXYIPTUBI-UHFFFAOYSA-N,C3H6O2,74.08,74.03677943,0.3,37.3,40,0,1,2,1,5,"130 °F (NTP, 1992)","285.3 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"OCTANOIC ACID, NICKEL(2+) SALT",004995-91-9,168988,nickel(2+);bis(octanoate),CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Ni+2],"InChI=1S/2C8H16O2.Ni/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2",DVTHIMLUHWEZOM-UHFFFAOYSA-L,C16H30NiO4,345.1,344.149751,,80.3,83,0,0,4,10,21,,,1,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,1,1,1,0
DICHLOROACETYL CHLORIDE,000079-36-7,6593,"2,2-dichloroacetyl chloride",C(C(=O)Cl)(Cl)Cl,InChI=1S/C2HCl3O/c3-1(4)2(5)6/h1H,FBCCMZVIWNDFMO-UHFFFAOYSA-N,C2HCl3O,147.38,145.909298,2.1,17.1,59,0,0,1,1,6,"151 °F (NTP, 1992)","225 to 226 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PROPANOIC ANHYDRIDE,000123-62-6,31263,propanoyl propanoate,CCC(=O)OC(=O)CC,"InChI=1S/C6H10O3/c1-3-5(7)9-6(8)4-2/h3-4H2,1-2H3",WYVAMUWZEOHJOQ-UHFFFAOYSA-N,C6H10O3,130.14,130.0629942,0.8,43.4,103,0,0,3,4,9,"145 °F (USCG, 1999)","336 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ACETYL BROMIDE,000506-96-7,10482,acetyl bromide,CC(=O)Br,InChI=1S/C2H3BrO/c1-2(3)4/h1H3,FXXACINHVKSMDR-UHFFFAOYSA-N,C2H3BrO,122.95,121.93673,0.8,17.1,33,0,0,1,0,4,110 °C (230 °F) - closed cup,"169 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM SULFIDE,001312-73-8,162263,dipotassium;sulfide,[S-2].[K+].[K+],InChI=1S/2K.S/q2*+1;-2,DPLVEEXVKBWGHE-UHFFFAOYSA-N,K2S,110.26,109.8994841,,1,0,0,0,1,0,3,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM POLYSULFIDE,037199-66-9,5362529,potassium sulfane,S.[K+],InChI=1S/K.H2S/h;1H2/q+1;,ZOCLAPYLSUCOGI-UHFFFAOYSA-N,H2KS+,73.18,72.95142772,,1,0,1,1,1,0,2,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PERCHLORIC ACID, NICKEL(2+) SALT",013637-71-3,26158,nickel(2+) diperchlorate,[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ni+2],"InChI=1S/2ClHO4.Ni/c2*2-1(3,4)5;/h2*(H,2,3,4,5);/q;;+2/p-2",ZLQBNKOPBDZKDP-UHFFFAOYSA-L,Cl2NiO8,257.59,255.832364,,149,95,0,0,8,0,11,,,1,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,1,1,1,0
HYDRIODIC ACID (SOLUTIONS ONLY),010034-85-2,24841,iodane,I,InChI=1S/HI/h1H,XMBWDFGMSWQBCA-UHFFFAOYSA-N,HI,127.9124,127.9123,0.9,0,0,0,1,0,0,1,,-35.1 °C at 760 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
BORON TRIFLUORIDE,007637-07-2,6356,trifluoroborane,B(F)(F)F,InChI=1S/BF3/c2-1(3)4,WTEOIRVLGSZEPR-UHFFFAOYSA-N,BF3,67.81,68.0045147,,0,8,0,0,3,0,4,,"-148 °F at 760 mmHg (NIOSH, 2024)",0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"HYDROGEN BROMIDE, ANHYDROUS",010035-10-6,260,bromane,Br,InChI=1S/BrH/h1H,CPELXLSAUQHCOX-UHFFFAOYSA-N,BrH,80.91,79.92616,1,0,0,0,1,0,0,1,,"-88.2 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
PHOSGENE,000075-44-5,6371,carbonyl dichloride,C(=O)(Cl)Cl,InChI=1S/CCl2O/c2-1(3)4,YGYAWVDWMABLBF-UHFFFAOYSA-N,CCl2O,98.91,97.93262,1.8,17.1,29,0,0,1,0,4,,"47 °F at 760 mmHg (EPA, 1998)",0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
STANNIC CHLORIDE,007646-78-8,24287,tetrachlorostannane,Cl[Sn](Cl)(Cl)Cl,InChI=1S/4ClH.Sn/h4*1H;/q;;;;+4/p-4,HPGGPRDJHPYFRM-UHFFFAOYSA-J,Cl4Sn,260.5,261.774663,,0,19,0,0,0,0,5,,114.15 °C,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
BROMINE,007726-95-6,24408,molecular bromine,BrBr,InChI=1S/Br2/c1-2,GDTBXPJZTBHREO-UHFFFAOYSA-N,Br2,159.81,159.83463,1.9,0,0,0,0,0,0,2,,"139.2 °F at 760 mmHg (EPA, 1998)",1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
FLUOBORIC ACID,016872-11-0,28118,hydron tetrafluoroborate,[H+].[B-](F)(F)(F)F,"InChI=1S/BF4/c2-1(3,4)5/q-1/p+1",ODGCEQLVLXJUCC-UHFFFAOYSA-O,BF4H,87.82,88.0107428,,0,19,0,1,5,0,5,,130 °C decomposes,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRIFLUOROACETIC ACID,000076-05-1,6422,"2,2,2-trifluoroacetic acid",C(=O)(C(F)(F)F)O,"InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)",DTQVDTLACAAQTR-UHFFFAOYSA-N,C2HF3O2,114.02,113.9928638,0.9,37.3,83,0,1,5,0,7,,72.4 °C,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM HYPOCHLORITE,007681-52-9,23665760,sodium hypochlorite,[O-]Cl.[Na+],InChI=1S/ClO.Na/c1-2;/q-1;+1,SUKJFIGYRHOWBL-UHFFFAOYSA-N,ClNaO,74.44,73.9535366,,23.1,4,0,0,1,0,3,,Boiling point: 111 °C in solution,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
METHANESULFONIC ACID,000075-75-2,6395,methanesulfonic acid,CS(=O)(=O)O,"InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)",AFVFQIVMOAPDHO-UHFFFAOYSA-N,CH4O3S,96.11,95.98811516,-0.9,62.8,92,0,1,3,0,5,110 °C,167 °C at 10 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PHOSPHORIC ACID,007664-38-2,1004,phosphoric acid,OP(=O)(O)O,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)",NBIIXXVUZAFLBC-UHFFFAOYSA-N,H3O4P,97.995,97.97689557,-2.1,77.8,49,0,3,4,0,5,,"greater than 266 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM METASILICATE,006834-92-0,23266,disodium;dioxido(oxo)silane,[O-][Si](=O)[O-].[Na+].[Na+],InChI=1S/2Na.O3Si/c;;1-4(2)3/q2*+1;-2,NTHWMYGWWRZVTN-UHFFFAOYSA-N,Na2O3Si,122.063,121.941209,,63.2,18,0,0,3,0,6,,BOILING POINT: 100 °C -6H20 /NONAHYDRATE/,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"HEXAFLUOROSILICATE(2-), DIHYDROGEN",016961-83-4,21863527,hexafluorosilicon(2-);hydron,[H+].[H+].F[Si-2](F)(F)(F)(F)F,"InChI=1S/F6Si/c1-7(2,3,4,5)6/q-2/p+2",OHORFAFFMDIQRR-UHFFFAOYSA-P,F6H2Si,144.091,143.9829956,,0,62,0,2,7,0,7,,"212 °F at 760 mmHg (water) approx. (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
HYDROXYETHYLENEDIAMINE,000111-41-1,8112,2-(2-aminoethylamino)ethanol,C(CNCCO)N,"InChI=1S/C4H12N2O/c5-1-2-6-3-4-7/h6-7H,1-5H2",LHIJANUOQQMGNT-UHFFFAOYSA-N,C4H12N2O,104.15,104.094963,-1.7,58.3,32,0,3,3,4,7,"216 °F (NTP, 1992)","460 to 464 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,1,0,0
TITANIUM TETRACHLORIDE,007550-45-0,24193,tetrachlorotitanium,Cl[Ti](Cl)(Cl)Cl,InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4,XJDNKRIXUMDJCW-UHFFFAOYSA-J,Cl4Ti,189.7,189.820401,,0,19,0,0,0,0,5,,"277.5 °F at 760 mmHg (EPA, 1998)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PERFLUOROHEXANESULFONYL FLUORIDE,000423-50-7,67918,"1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonyl fluoride",C(C(C(C(F)(F)S(=O)(=O)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,"InChI=1S/C6F14O2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22",HSDJWNJDPDJOEV-UHFFFAOYSA-N,C6F14O2S,402.11,401.9395447,4.7,42.5,551,0,0,16,5,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0
DIAMMONIUM SULFIDE,012135-76-1,25519,diazanium;sulfide,[NH4+].[NH4+].[S-2],InChI=1S/2H3N.S/h2*1H3;/q;;-2/p+2,UYJXRRSPUVSSMN-UHFFFAOYSA-P,H8N2S,68.15,68.04081944,,3,0,0,2,1,0,3,"72 °F (USCG, 1999)","104 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ANTIMONY PENTACHLORIDE,007647-18-9,24294,pentachloro-lambda5-stibane,Cl[Sb](Cl)(Cl)(Cl)Cl,InChI=1S/5ClH.Sb/h5*1H;/q;;;;;+5/p-5,VMPVEPPRYRXYNP-UHFFFAOYSA-I,Cl5Sb,299,297.74512,,0,37,0,0,0,0,6,,"347 °F at 760 mmHg (est.) (USCG, 1999)",0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
HEXADECYLAMINE,000143-27-1,8926,hexadecan-1-amine,CCCCCCCCCCCCCCCCN,"InChI=1S/C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-17H2,1H3",FJLUATLTXUNBOT-UHFFFAOYSA-N,C16H35N,241.46,241.2769501,7.4,26,123,0,1,1,14,17,"285 °F (NTP, 1992)","613 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
PENTAETHYLENEHEXAMINE,004067-16-7,19990,"N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine",C(CNCCNCCNCCNCCN)N,"InChI=1S/C10H28N6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h13-16H,1-12H2",LSHROXHEILXKHM-UHFFFAOYSA-N,C10H28N6,232.37,232.2375449,-3.4,100,108,0,6,6,13,16,"greater than 200 °F (NTP, 1992)","662 to 734 °F at 760 mmHg (USCG, 1999)",1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"TRIHEXYLTETRADECYLPHOSPHONIUM BIS(2,4,4-TRIMETHYLPENTYL)PHOSPHINATE",465527-59-7,16211839,"bis(2,4,4-trimethylpentyl)phosphinate;trihexyl(tetradecyl)phosphanium",CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.CC(CC(C)(C)C)CP(=O)(CC(C)CC(C)(C)C)[O-],"InChI=1S/C32H68P.C16H35O2P/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;1-13(9-15(3,4)5)11-19(17,18)12-14(2)10-16(6,7)8/h5-32H2,1-4H3;13-14H,9-12H2,1-8H3,(H,17,18)/q+1;/p-1",ZKQLVOZSJHOZBL-UHFFFAOYSA-M,C48H102O2P2,773.3,772.7355065,,40.1,593,0,0,2,36,52,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1-HEXADECANAMINIUM, N-ETHYL-N,N-DIMETHYL-, ETHYL SULFATE",003006-10-8,68650,ethyl-hexadecyl-dimethylazanium;ethyl sulfate,CCCCCCCCCCCCCCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-],"InChI=1S/C20H44N.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;1-2-6-7(3,4)5/h5-20H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",UUHBNESUDPIHCI-UHFFFAOYSA-M,C22H49NO4S,423.7,423.3382302,,74.8,302,0,0,4,17,28,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
AMMONIUM SULFITE,010196-04-0,25041,diazanium;sulfite,[NH4+].[NH4+].[O-]S(=O)[O-],"InChI=1S/2H3N.H2O3S/c;;1-4(2)3/h2*1H3;(H2,1,2,3)",PQUCIEFHOVEZAU-UHFFFAOYSA-N,H8N2O3S,116.14,116.0255633,,84.4,18,0,2,4,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-BUTYRIC ACID,000107-92-6,264,butanoic acid,CCCC(=O)O,"InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)",FERIUCNNQQJTOY-UHFFFAOYSA-N,C4H8O2,88.11,88.05242949,0.8,37.3,49,0,1,2,2,6,"170 °F (NTP, 1992)","326.3 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORODITHIOIC ACID, O,O-BIS(2-ETHYLHEXYL) ESTER",005810-88-8,22062,bis(2-ethylhexoxy)-sulfanyl-sulfanylidene-lambda5-phosphane,CCCCC(CC)COP(=S)(OCC(CC)CCCC)S,"InChI=1S/C16H35O2PS2/c1-5-9-11-15(7-3)13-17-19(20,21)18-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,20,21)",DQNJHGSFNUDORY-UHFFFAOYSA-N,C16H35O2PS2,354.6,354.1816097,7.9,51.6,263,0,1,4,14,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CHLOROSULFONIC ACID,007790-94-5,24638,sulfurochloridic acid,OS(=O)(=O)Cl,"InChI=1S/ClHO3S/c1-5(2,3)4/h(H,2,3,4)",XTHPWXDJESJLNJ-UHFFFAOYSA-N,ClHO3S,116.53,115.9334928,-0.1,62.8,92,0,1,3,0,5,,"311 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
1-AMINO-2-PROPANOL,000078-96-6,4,1-aminopropan-2-ol,CC(CN)O,"InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3",HXKKHQJGJAFBHI-UHFFFAOYSA-N,C3H9NO,75.11,75.06841391,-1,46.3,22,0,2,2,1,5,"171 °F (NTP, 1992)","313 to 316 °F at 758 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CALCIUM HYDROXIDE,001305-62-0,6093208,calcium dihydroxide,[OH-].[OH-].[Ca+2],InChI=1S/Ca.2H2O/h;2*1H2/q+2;;/p-2,AXCZMVOFGPJBDE-UHFFFAOYSA-L,CaH2O2,74.09,73.9680702,,2,0,0,2,2,0,3,/Calcium Hydroxide is/ non flammable,"Decomposes (NIOSH, 2024)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GALLIUM(III) SULFIDE,012024-22-5,165983,digallium;trisulfide,[S-2].[S-2].[S-2].[Ga+3].[Ga+3],InChI=1S/2Ga.3S/q2*+3;3*-2,BVSHTEBQPBBCFT-UHFFFAOYSA-N,Ga2S3,235.6,235.76649,,3,0,0,0,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TRIETHYLAMINE HYDROCHLORIDE,000554-68-7,11130,"N,N-diethylethanamine;hydrochloride",CCN(CC)CC.Cl,"InChI=1S/C6H15N.ClH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H",ILWRPSCZWQJDMK-UHFFFAOYSA-N,C6H16ClN,137.65,137.0971272,,3.2,25,0,1,1,3,8,,245 °C (sublimes),0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CALCIUM TRIFLUOROMETHANE SULFONATE,055120-75-7,2734307,calcium bis(trifluoromethanesulfonate),C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ca+2],"InChI=1S/2CHF3O3S.Ca/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2",PUQLFUHLKNBKQQ-UHFFFAOYSA-L,C2CaF6O6S2,338.2,337.8666399,,131,145,0,0,12,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
YTTERBIUM (III) TRIFLUOROMETHANESULFONATE,054761-04-5,2733225,tris(trifluoromethanesulfonate);ytterbium(3+),C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Yb+3],"InChI=1S/3CHF3O3S.Yb/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3",AHZJKOKFZJYCLG-UHFFFAOYSA-K,C3F9O9S3Yb,620.3,620.7949411,,197,145,0,0,18,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BUTENOIC ACID, 4-BROMO-, METHYL ESTER",001117-71-1,5369175,methyl (E)-4-bromobut-2-enoate,COC(=O)/C=C/CBr,"InChI=1S/C5H7BrO2/c1-8-5(7)3-2-4-6/h2-3H,4H2,1H3/b3-2+",RWIKCBHOVNDESJ-NSCUHMNNSA-N,C5H7BrO2,179.01,177.96294,1.1,26.3,98,0,0,2,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BUTENOIC ACID, 4-(ETHYLAMINO)-4-OXO-, (Z)-",004166-67-0,5380356,(Z)-4-(ethylamino)-4-oxobut-2-enoic acid,CCNC(=O)/C=C\C(=O)O,"InChI=1S/C6H9NO3/c1-2-7-5(8)3-4-6(9)10/h3-4H,2H2,1H3,(H,7,8)(H,9,10)/b4-3-",HBQGCOWNLUOCBU-ARJAWSKDSA-N,C6H9NO3,143.14,143.0582431,-0.3,66.4,162,0,2,3,3,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANOIC ACID, 3-(ACETYLTHIO)-2-METHYL-",033325-40-5,118073,3-acetylsulfanyl-2-methylpropanoic acid,CC(CSC(=O)C)C(=O)O,"InChI=1S/C6H10O3S/c1-4(6(8)9)3-10-5(2)7/h4H,3H2,1-2H3,(H,8,9)",VFVHNRJEYQGRGE-UHFFFAOYSA-N,C6H10O3S,162.21,162.0350654,0.7,79.7,144,0,1,4,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, MONO(2-METHYLPROPYL) ESTER, DIPOTASSIUM SALT",068541-10-6,110525,dipotassium;2-methylpropyl phosphate,CC(C)COP(=O)([O-])[O-].[K+].[K+],"InChI=1S/C4H11O4P.2K/c1-4(2)3-8-9(5,6)7;;/h4H,3H2,1-2H3,(H2,5,6,7);;/q;2*+1/p-2",QQVPGMKUULHCHN-UHFFFAOYSA-L,C4H9K2O4P,230.28,229.9512587,,72.4,104,0,0,4,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
BROMOCHLOROMETHANE,000074-97-5,6333,bromo(chloro)methane,C(Cl)Br,InChI=1S/CH2BrCl/c2-1-3/h1H2,JPOXNPPZZKNXOV-UHFFFAOYSA-N,CH2BrCl,129.38,127.90284,1.7,0,4,0,0,0,0,3,No flash or fire points by standard tests in air.,"154 °F at 760 mmHg (NTP, 1992)",0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEPTAFLUOROBUTYRIC ANHYDRIDE,000336-59-4,67643,"2,2,3,3,4,4,4-heptafluorobutanoyl 2,2,3,3,4,4,4-heptafluorobutanoate",C(=O)(C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F,"InChI=1S/C8F14O3/c9-3(10,5(13,14)7(17,18)19)1(23)25-2(24)4(11,12)6(15,16)8(20,21)22",UFFSXJKVKBQEHC-UHFFFAOYSA-N,C8F14O3,410.06,409.9623881,4.8,43.4,493,0,0,17,6,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PERFLUOROPENTANOIC ACID,002706-90-3,75921,"2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid",C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)",CXZGQIAOTKWCDB-UHFFFAOYSA-N,C5HF9O2,264.05,263.9832827,2.9,37.3,291,0,1,11,3,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"N,N-BUTYLDIETHANOLAMINE",000102-79-4,7620,2-[butyl(2-hydroxyethyl)amino]ethanol,CCCCN(CCO)CCO,"InChI=1S/C8H19NO2/c1-2-3-4-9(5-7-10)6-8-11/h10-11H,2-8H2,1H3",GVNHOISKXMSMPX-UHFFFAOYSA-N,C8H19NO2,161.24,161.1415788,0.1,43.7,72,0,2,3,7,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
NONAFLUOROBUTANESULFONYL FLUORIDE,000375-72-4,67814,"1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride",C(C(C(F)(F)S(=O)(=O)F)(F)F)(C(F)(F)F)(F)F,"InChI=1S/C4F10O2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16",LUYQYZLEHLTPBH-UHFFFAOYSA-N,C4F10O2S,302.09,301.945932,3.4,42.5,386,0,0,12,3,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
BUTYL ACID PHOSPHATE,052933-01-4,15389,butyl dihydrogen phosphate,CCCCOP(=O)(O)O,"InChI=1S/C4H11O4P/c1-2-3-4-8-9(5,6)7/h2-4H2,1H3,(H2,5,6,7)",BNMJSBUIDQYHIN-UHFFFAOYSA-N,C4H11O4P,154.1,154.0394958,-0.3,66.8,107,0,2,4,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANOIC ACID, AMMONIUM SALT",017496-08-1,87139,azane;propanoic acid,CCC(=O)O.N,"InChI=1S/C3H6O2.H3N/c1-2-3(4)5;/h2H2,1H3,(H,4,5);1H3",XJMWHXZUIGHOBA-UHFFFAOYSA-N,C3H9NO2,91.11,91.06332853,,38.3,40,0,2,3,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TELLURIUM CHLORIDE,010026-07-0,61443,,Cl[Te](Cl)(Cl)Cl,"InChI=1S/Cl4Te/c1-5(2,3)4",SWLJJEFSPJCUBD-UHFFFAOYSA-N,Cl4Te,269.4,271.778683,,0,19,0,0,0,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
AMMONIUM HYDROXIDE Solutions (>/=10-<70%),001336-21-6,14923,azanium hydroxide,[NH4+].[OH-],InChI=1S/H3N.H2O/h1H3;1H2,VHUUQVKOLVNVRT-UHFFFAOYSA-N,H5NO,35.046,35.03711378,,2,0,0,2,1,0,2,,38 °C (25%),1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SILVER CARBONATE,000534-16-7,92796,disilver;carbonate,C(=O)([O-])[O-].[Ag+].[Ag+],"InChI=1S/CH2O3.2Ag/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",KQTXIZHBFFWWFW-UHFFFAOYSA-L,CAg2O3,275.745,275.79459,,63.2,18,0,0,3,0,6,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"POTASSIUM PHOSPHATE, DIBASIC",007758-11-4,24450,dipotassium;hydrogen phosphate,OP(=O)([O-])[O-].[K+].[K+],"InChI=1S/2K.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2",ZPWVASYFFYYZEW-UHFFFAOYSA-L,HK2O4P,174.176,173.8886585,,83.4,46,0,1,4,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM IODIDE,007681-82-5,5238,sodium iodide,[Na+].[I-],InChI=1S/HI.Na/h1H;/q;+1/p-1,FVAUCKIRQBBSSJ-UHFFFAOYSA-M,INa,149.8942,149.89424,,0,2,0,0,1,0,2,,Decomposes,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
LAURIC ACID,000143-07-7,3893,dodecanoic acid,CCCCCCCCCCCC(=O)O,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",POULHZVOKOAJMA-UHFFFAOYSA-N,C12H24O2,200.32,200.17763,4.2,37.3,132,0,1,2,10,14,"235 °F (NTP, 1992)","437 °F at 100 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TRI-N-OCTYLPHOSPHINE OXIDE,000078-50-2,65577,1-dioctylphosphoryloctane,CCCCCCCCP(=O)(CCCCCCCC)CCCCCCCC,"InChI=1S/C24H51OP/c1-4-7-10-13-16-19-22-26(25,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3",ZMBHCYHQLYEYDV-UHFFFAOYSA-N,C24H51OP,386.6,386.3677532,9.6,17.1,266,0,0,1,21,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
2-METHYLLACTIC ACID,000594-61-6,11671,2-hydroxy-2-methylpropanoic acid,CC(C)(C(=O)O)O,"InChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)",BWLBGMIXKSTLSX-UHFFFAOYSA-N,C4H8O3,104.1,104.0473441,-0.4,57.5,84,0,2,3,1,7,,212.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MESO-TARTARIC ACID,000147-73-9,447315,"(2R,3S)-2,3-dihydroxybutanedioic acid",[C@@H]([C@@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2+",FEWJPZIEWOKRBE-XIXRPRMCSA-N,C4H6O6,150.09,150.0164379,-1.9,115,134,0,4,6,3,10,210 °C c.c.,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"LACTIC ACID, MONOSODIUM SALT",000312-85-6,23666456,sodium 2-hydroxypropanoate,CC(C(=O)[O-])O.[Na+],"InChI=1S/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1",NGSFWBMYFKHRBD-UHFFFAOYSA-M,C3H5NaO3,112.06,112.0136383,,60.4,63,0,1,3,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
N-LAUROYLSARCOSINE SODIUM,000137-16-6,23668817,sodium 2-[dodecanoyl(methyl)amino]acetate,CCCCCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+],"InChI=1S/C15H29NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19;/h3-13H2,1-2H3,(H,18,19);/q;+1/p-1",KSAVQLQVUXSOCR-UHFFFAOYSA-M,C15H28NNaO3,293.38,293.196688,,60.4,260,0,0,3,12,20,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
MERCURY(I) OXIDE,015829-53-5,16683011,mercuriooxymercury,O([Hg])[Hg],InChI=1S/2Hg.O,RPZHFKHTXCZXQV-UHFFFAOYSA-N,Hg2O,417.18,417.933885,,9.2,2,0,0,1,0,3,,,0,0,0,0,0,0,0,1,0,0,1,0,0,1,0,0,1,1,1,1
NEODYMIUM CHLORIDE,010024-93-8,66204,trichloroneodymium,Cl[Nd](Cl)Cl,InChI=1S/3ClH.Nd/h3*1H;/q;;;+3/p-3,ATINCSYRHURBSP-UHFFFAOYSA-K,Cl3Nd,250.6,246.81429,,0,8,0,0,0,0,4,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHYL PHOSPHITE,000762-04-9,6327654,diethoxy(oxo)phosphanium,CCO[P+](=O)OCC,"InChI=1S/C4H10O3P/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3/q+1",LXCYSACZTOKNNS-UHFFFAOYSA-N,C4H10O3P+,137.09,137.0367562,0.7,35.5,65,1,0,3,4,8,,138 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
EUROPIUM CHLORIDE,010025-76-0,24809,trichloroeuropium,Cl[Eu](Cl)Cl,InChI=1S/3ClH.Eu/h3*1H;/q;;;+3/p-3,NNMXSTWQJRPBJZ-UHFFFAOYSA-K,Cl3Eu,258.32,257.82779,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
BIS-TRIS,006976-37-0,81462,"2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol",C(CO)N(CCO)C(CO)(CO)CO,"InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2",OWMVSZAMULFTJU-UHFFFAOYSA-N,C8H19NO5,209.24,209.1263227,-3.3,104,125,0,5,6,8,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NEROL,000106-25-2,643820,"(2Z)-3,7-dimethylocta-2,6-dien-1-ol",CC(=CCC/C(=C\CO)/C)C,"InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-",GLZPCOQZEFWAFX-YFHOEESVSA-N,C10H18O,154.25,154.1357652,2.9,20.2,150,0,1,1,4,11,Flash Point: 107.78 °C /226 °F (closed cup),225 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
CALCIUM MAGNESIUM HYDROXIDE OXIDE,058398-71-3,13710582,calcium;magnesium;oxygen(2-);dihydroxide,[OH-].[OH-].[O-2].[Mg+2].[Ca+2],InChI=1S/Ca.Mg.2H2O.O/h;;2*1H2;/q2*+2;;;-2/p-2,UEURCQNQTWXPEE-UHFFFAOYSA-L,CaH2MgO3,114.4,113.9480265,,3,0,0,2,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-METHYLOCTADECYLAMINE,002439-55-6,75539,N-methyloctadecan-1-amine,CCCCCCCCCCCCCCCCCCNC,"InChI=1S/C19H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h20H,3-19H2,1-2H3",SZEGKVHRCLBFKJ-UHFFFAOYSA-N,C19H41N,283.5,283.3239003,8.6,12,156,0,1,1,17,20,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
PERFLUORO-TERT-BUTANOL,002378-02-1,16924,"1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol",C(C(F)(F)F)(C(F)(F)F)(C(F)(F)F)O,"InChI=1S/C4HF9O/c5-2(6,7)1(14,3(8,9)10)4(11,12)13/h14H",XZNOAVNRSFURIR-UHFFFAOYSA-N,C4HF9O,236.04,235.9883681,2.8,20.2,170,0,1,10,0,14,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DIMETHYL-2,5-HEXANEDIOL",000110-03-2,8031,"2,5-dimethylhexane-2,5-diol",CC(C)(CCC(C)(C)O)O,"InChI=1S/C8H18O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,5-6H2,1-4H3",ZWNMRZQYWRLGMM-UHFFFAOYSA-N,C8H18O2,146.23,146.1306798,0.8,40.5,91,0,2,2,3,10,,118 °C @ 15 MM HG,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
N-ETHYLDIETHANOLAMINE,000139-87-7,8769,2-[ethyl(2-hydroxyethyl)amino]ethanol,CCN(CCO)CCO,"InChI=1S/C6H15NO2/c1-2-7(3-5-8)4-6-9/h8-9H,2-6H2,1H3",AKNUHUCEWALCOI-UHFFFAOYSA-N,C6H15NO2,133.19,133.1102787,0.1,43.7,53,0,2,3,5,9,208 °F (138 °C) (Open cup),247 degc C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-AMINO-2-METHYL-1,3-PROPANEDIOL",000115-69-5,1531,"2-amino-2-methylpropane-1,3-diol",CC(CO)(CO)N,"InChI=1S/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3",UXFQFBNBSPQBJW-UHFFFAOYSA-N,C4H11NO2,105.14,105.0789786,-1.8,66.5,51,0,3,3,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIMETHYLAMINOPROPYL METHACRYLAMIDE",005205-93-6,78882,N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide,CC(=C)C(=O)NCCCN(C)C,"InChI=1S/C9H18N2O/c1-8(2)9(12)10-6-5-7-11(3)4/h1,5-7H2,2-4H3,(H,10,12)",GDFCSMCGLZFNFY-UHFFFAOYSA-N,C9H18N2O,170.25,170.1419132,0.9,32.3,164,0,1,2,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
AMMONIUM HEXACHLORORHODATE(III),015336-18-2,16211509,triazanium;hexachlororhodium(3-),[NH4+].[NH4+].[NH4+].Cl[Rh-3](Cl)(Cl)(Cl)(Cl)Cl,InChI=1S/6ClH.3H3N.Rh/h6*1H;3*1H3;/q;;;;;;;;;+3/p-3,OJNYBYILSUWBHM-UHFFFAOYSA-K,Cl6H12N3Rh,369.7,368.81878,,3,62,0,3,1,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
HEMATITE,001317-60-8,14833,bis(iron(3+));tris(oxygen(2-)),[O-2].[O-2].[O-2].[Fe+3].[Fe+3],InChI=1S/2Fe.3O/q2*+3;3*-2,LIKBJVNGSGBSGK-UHFFFAOYSA-N,Fe2O3,159.69,159.854615,,3,0,0,0,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM HEXABROMOPLATINATE,039277-13-9,20474473,disodium;hexabromoplatinum(2-),[Na+].[Na+].Br[Pt-2](Br)(Br)(Br)(Br)Br,InChI=1S/6BrH.2Na.Pt/h6*1H;;;/q;;;;;;2*+1;+4/p-6,RFZKZIKSQSDBBI-UHFFFAOYSA-H,Br6Na2Pt,720.5,720.44821,,0,62,0,0,1,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
GADOLINIUM IODIDE,013572-98-0,83588,triiodogadolinium,I[Gd](I)I,InChI=1S/Gd.3HI/h;3*1H/q+3;;;/p-3,IZZTUGMCLUGNPM-UHFFFAOYSA-K,GdI3,537.96,538.6375,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,1,0,1
DICETYL PHOSPHATE,002197-63-9,75143,dihexadecyl hydrogen phosphate,CCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCC,"InChI=1S/C32H67O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3,(H,33,34)",RNPXCFINMKSQPQ-UHFFFAOYSA-N,C32H67O4P,546.8,546.4776976,14.5,55.8,434,0,1,4,32,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,2,3,4-TETRABROMOBUTANE",001529-68-6,15221,"1,2,3,4-tetrabromobutane",C(C(C(CBr)Br)Br)Br,"InChI=1S/C4H6Br4/c5-1-3(7)4(8)2-6/h3-4H,1-2H2",HGRZLIGHKHRTRE-UHFFFAOYSA-N,C4H6Br4,373.71,373.7162,3.4,0,48,0,0,0,3,8,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
OLEIC ACID MONOISO-PROPANOLAMIDE,000111-05-7,6436066,(Z)-N-(2-hydroxypropyl)octadec-9-enamide,CCCCCCCC/C=C\CCCCCCCC(=O)NCC(C)O,"InChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)22-19-20(2)23/h10-11,20,23H,3-9,12-19H2,1-2H3,(H,22,24)/b11-10-",UDZAXLGLNUMCRX-KHPPLWFESA-N,C21H41NO2,339.6,339.3137296,6.8,49.3,302,0,2,2,17,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
MYRISTIC ACID DIETHANOLAMIDE,000120-40-1,8430,"N,N-bis(2-hydroxyethyl)dodecanamide",CCCCCCCCCCCC(=O)N(CCO)CCO,"InChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h18-19H,2-15H2,1H3",AOMUHOFOVNGZAN-UHFFFAOYSA-N,C16H33NO3,287.44,287.2460439,3.5,60.8,216,0,2,3,14,20,,"462 to 471 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM DI(2-ETHYLHEXYL)PHOSPHATE,000141-65-1,23683737,sodium bis(2-ethylhexyl) phosphate,CCCCC(CC)COP(=O)([O-])OCC(CC)CCCC.[Na+],"InChI=1S/C16H35O4P.Na/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;/h15-16H,5-14H2,1-4H3,(H,17,18);/q;+1/p-1",AOBMIXQSBXYCFW-UHFFFAOYSA-M,C16H34NaO4P,344.4,344.2092408,,58.6,265,0,0,4,14,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM DI-TRIDECYL SULFOSUCCINATE,002673-22-5,23669618,"sodium 1,4-dioxo-1,4-di(tridecoxy)butane-2-sulfonate",CCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCC)S(=O)(=O)[O-].[Na+],"InChI=1S/C30H58O7S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-36-29(31)27-28(38(33,34)35)30(32)37-26-24-22-20-18-16-14-12-10-8-6-4-2;/h28H,3-27H2,1-2H3,(H,33,34,35);/q;+1/p-1",YWQIGRBJQMNGSN-UHFFFAOYSA-M,C30H57NaO7S,584.8,584.3722696,,118,665,0,0,7,30,39,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
DIAMYL SODIUM SULFOSUCCINATE,000922-80-5,23669004,"sodium 1,4-dioxo-1,4-dipentoxybutane-2-sulfonate",CCCCCOC(=O)CC(C(=O)OCCCCC)S(=O)(=O)[O-].[Na+],"InChI=1S/C14H26O7S.Na/c1-3-5-7-9-20-13(15)11-12(22(17,18)19)14(16)21-10-8-6-4-2;/h12H,3-11H2,1-2H3,(H,17,18,19);/q;+1/p-1",UMEWSJNRBXKWKZ-UHFFFAOYSA-M,C14H25NaO7S,360.4,360.1218686,,118,431,0,0,7,14,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DIISOBUTYL SODIUM SULFOSUCCINATE,000127-39-9,23683016,"sodium 1,4-bis(2-methylpropoxy)-1,4-dioxobutane-2-sulfonate",CC(C)COC(=O)CC(C(=O)OCC(C)C)S(=O)(=O)[O-].[Na+],"InChI=1S/C12H22O7S.Na/c1-8(2)6-18-11(13)5-10(20(15,16)17)12(14)19-7-9(3)4;/h8-10H,5-7H2,1-4H3,(H,15,16,17);/q;+1/p-1",NTWXWSVUSTYPJH-UHFFFAOYSA-M,C12H21NaO7S,332.35,332.0905685,,118,425,0,0,7,10,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIETHANOLAMMONIUM LAURYL SULFATE,000139-96-8,8777,2-[bis(2-hydroxyethyl)amino]ethanol;dodecyl hydrogen sulfate,CCCCCCCCCCCCOS(=O)(=O)O.C(CO)N(CCO)CCO,"InChI=1S/C12H26O4S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;8-4-1-7(2-5-9)3-6-10/h2-12H2,1H3,(H,13,14,15);8-10H,1-6H2",JZKFHQMONDVVNF-UHFFFAOYSA-N,C18H41NO7S,415.6,415.2603738,,136,299,0,4,8,18,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM OLEYL SULFATE,001847-55-8,23686132,sodium [(Z)-octadec-9-enyl] sulfate,CCCCCCCC/C=C\CCCCCCCCOS(=O)(=O)[O-].[Na+],"InChI=1S/C18H36O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h9-10H,2-8,11-18H2,1H3,(H,19,20,21);/q;+1/p-1/b10-9-;",MWZFQMUXPSUDJQ-KVVVOXFISA-M,C18H35NaO4S,370.5,370.2153751,,74.8,364,0,0,4,17,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM LAURATE,000629-25-4,2735067,sodium dodecanoate,CCCCCCCCCCCC(=O)[O-].[Na+],"InChI=1S/C12H24O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);/q;+1/p-1",BTURAGWYSMTVOW-UHFFFAOYSA-M,C12H23NaO2,222.3,222.1595743,,40.1,138,0,0,2,10,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OCTAETHYLENE GLYCOL MONODODECYL ETHER,003055-98-9,123921,2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1S/C28H58O9/c1-2-3-4-5-6-7-8-9-10-11-13-30-15-17-32-19-21-34-23-25-36-27-28-37-26-24-35-22-20-33-18-16-31-14-12-29/h29H,2-28H2,1H3",YYELLDKEOUKVIQ-UHFFFAOYSA-N,C28H58O9,538.8,538.4080834,4.1,94.1,389,0,1,9,34,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BIS(TRIMETHOXYSILYLPROPYL)ETHYLENEDIAMINE,068845-16-9,111651,"N,N'-bis(3-trimethoxysilylpropyl)ethane-1,2-diamine",CO[Si](CCCNCCNCCC[Si](OC)(OC)OC)(OC)OC,"InChI=1S/C14H36N2O6Si2/c1-17-23(18-2,19-3)13-7-9-15-11-12-16-10-8-14-24(20-4,21-5)22-6/h15-16H,7-14H2,1-6H3",HZGIOLNCNORPKR-UHFFFAOYSA-N,C14H36N2O6Si2,384.62,384.2111899,,79.4,250,0,2,8,17,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
HAFNIUM FLUORIDE,013709-52-9,4092293,tetrafluorohafnium,F[Hf](F)(F)F,InChI=1S/4FH.Hf/h4*1H;/q;;;;+4/p-4,QHEDSQMUHIMDOL-UHFFFAOYSA-J,F4Hf,254.48,255.94017,,0,19,0,0,4,0,5,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ZINC IRON OXIDE,012063-19-3,11831558,hydroxy(oxo)iron;zinc,O[Fe]=O.O[Fe]=O.[Zn],InChI=1S/2Fe.2H2O.2O.Zn/h;;2*1H2;;;/q2*+1;;;;;/p-2,NNGHIEIYUJKFQS-UHFFFAOYSA-L,Fe2H2O4Zn,243.1,241.794321,,74.6,30,0,2,4,0,7,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
1-(3-(TRIMETHOXYSILYL)PROPYL)UREA,023843-64-3,90280,3-trimethoxysilylpropylurea,CO[Si](CCCNC(=O)N)(OC)OC,"InChI=1S/C7H18N2O4Si/c1-11-14(12-2,13-3)6-4-5-9-7(8)10/h4-6H2,1-3H3,(H3,8,9,10)",LVACOMKKELLCHJ-UHFFFAOYSA-N,C7H18N2O4Si,222.31,222.1035836,,82.8,167,0,2,4,7,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3'-IMINODIPROPIONITRILE",000111-94-4,8149,3-(2-cyanoethylamino)propanenitrile,C(CNCCC#N)C#N,"InChI=1S/C6H9N3/c7-3-1-5-9-6-2-4-8/h9H,1-2,5-6H2",SBAJRGRUGUQKAF-UHFFFAOYSA-N,C6H9N3,123.16,123.0796473,-0.8,59.6,126,0,1,3,4,9,"230 °F (NTP, 1992)","343 °F at 10 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIDODECYLAMINE,000102-87-4,7624,"N,N-didodecyldodecan-1-amine",CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC,"InChI=1S/C36H75N/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3",SWZDQOUHBYYPJD-UHFFFAOYSA-N,C36H75N,522,521.5899514,17,3.2,322,0,0,1,33,37,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,1
DL-TARTARIC ACID,000133-37-9,875,"2,3-dihydroxybutanedioic acid",C(C(C(=O)O)O)(C(=O)O)O,"InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)",FEWJPZIEWOKRBE-UHFFFAOYSA-N,C4H6O6,150.09,150.0164379,-1.9,115,134,0,4,6,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-DIMERCAPTO-1-PROPANESULFONIC ACID SODIUM SALT MONOHYDRATE",207233-91-8,23676755,"sodium;2,3-bis(sulfanyl)propane-1-sulfonate;hydrate",C(C(CS(=O)(=O)[O-])S)S.O.[Na+],"InChI=1S/C3H8O3S3.Na.H2O/c4-9(5,6)2-3(8)1-7;;/h3,7-8H,1-2H2,(H,4,5,6);;1H2/q;+1;/p-1",XMUHNMQFDVIWGU-UHFFFAOYSA-M,C3H9NaO4S3,228.3,227.9560666,,68.6,160,0,3,6,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DEFEROXAMINE MESYLATE,000138-14-7,62881,N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide;methanesulfonic acid,CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O.CS(=O)(=O)O,"InChI=1S/C25H48N6O8.CH4O3S/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26;1-5(2,3)4/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34);1H3,(H,2,3,4)",IDDIJAWJANBQLJ-UHFFFAOYSA-N,C26H52N6O11S,656.8,656.3414777,,269,832,0,7,12,23,44,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,1,0,1,1,0,1
DL-B-HYDROXYNORVALINE,034042-00-7,65097,2-amino-3-hydroxypentanoic acid,CCC(C(C(=O)O)N)O,"InChI=1S/C5H11NO3/c1-2-3(7)4(6)5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)",LGVJIYCMHMKTPB-UHFFFAOYSA-N,C5H11NO3,133.15,133.0738932,-2.4,83.6,104,0,3,4,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ZIRCONIUM 2-ETHYLHEXANOATE,022464-99-9,112500423,(2R)-2-ethylhexanoate;(2S)-2-ethylhexanoate;zirconium(2+),CCCC[C@@H](CC)C(=O)[O-].CCCC[C@H](CC)C(=O)[O-].[Zr+2],"InChI=1S/2C8H16O2.Zr/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2/t2*7-;/m10./s1",RIYRDRZNXDRTIL-BGEHQDIKSA-L,C16H30O4Zr,377.63,376.119108,,80.3,93,0,0,4,8,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0
2-ALLYLOXYETHANOL,000111-45-5,8116,2-prop-2-enoxyethanol,C=CCOCCO,"InChI=1S/C5H10O2/c1-2-4-7-5-3-6/h2,6H,1,3-5H2",GCYHRYNSUGLLMA-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,-0.1,29.5,43,0,1,2,4,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-2-HYDROXYETHYLACETAMIDE,000142-26-7,8880,N-(2-hydroxyethyl)acetamide,CC(=O)NCCO,"InChI=1S/C4H9NO2/c1-4(7)5-2-3-6/h6H,2-3H2,1H3,(H,5,7)",PVCJKHHOXFKFRP-UHFFFAOYSA-N,C4H9NO2,103.12,103.0633285,-1.1,49.3,62,0,2,2,2,7,176.6 °C,166-167 °C @ 8 MM HG,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-ETHYLHEXANOIC ACID, POTASSIUM SALT",003164-85-0,23669619,potassium 2-ethylhexanoate,CCCCC(CC)C(=O)[O-].[K+],"InChI=1S/C8H16O2.K/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1",ZUFQCVZBBNZMKD-UHFFFAOYSA-M,C8H15KO2,182.3,182.0709112,,40.1,104,0,0,2,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,1,1-TRIMETHYLHYDRAZINIUM IODIDE",003288-80-0,18683,amino(trimethyl)azanium iodide,C[N+](C)(C)N.[I-],"InChI=1S/C3H11N2.HI/c1-5(2,3)4;/h4H2,1-3H3;1H/q+1;/p-1",HLNPDVKKRBWQAA-UHFFFAOYSA-M,C3H11IN2,202.04,201.9967,,26,26,0,1,2,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
2-METHYLHEXANOIC ACID,004536-23-6,20653,2-methylhexanoic acid,CCCCC(C)C(=O)O,"InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)",CVKMFSAVYPAZTQ-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,2.3,37.3,88,0,1,2,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
3-HYDROXYPIVALIC ACID,004835-90-9,78548,"3-hydroxy-2,2-dimethylpropanoic acid",CC(C)(CO)C(=O)O,"InChI=1S/C5H10O3/c1-5(2,3-6)4(7)8/h6H,3H2,1-2H3,(H,7,8)",RDFQSFOGKVZWKF-UHFFFAOYSA-N,C5H10O3,118.13,118.0629942,0,57.5,95,0,2,3,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
THULIUM IODIDE (TMI3),013813-43-9,83750,triiodothulium,I[Tm](I)I,InChI=1S/3HI.Tm/h3*1H;/q;;;+3/p-3,LZOMHYVAEHYDST-UHFFFAOYSA-K,I3Tm,549.6476,549.6476,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
TRIISODECYL PHOSPHITE,025448-25-3,117488,tris(8-methylnonyl) phosphite,CC(C)CCCCCCCOP(OCCCCCCCC(C)C)OCCCCCCCC(C)C,"InChI=1S/C30H63O3P/c1-28(2)22-16-10-7-13-19-25-31-34(32-26-20-14-8-11-17-23-29(3)4)33-27-21-15-9-12-18-24-30(5)6/h28-30H,7-27H2,1-6H3",QEDNBHNWMHJNAB-UHFFFAOYSA-N,C30H63O3P,502.8,502.4514829,12.7,27.7,330,0,0,3,27,34,,,0,0,0,0,0,0,0,1,0,0,1,0,0,1,0,0,1,1,0,1
2-(2-(2-(2-AMINOETHOXY)ETHOXY)ETHOXY)ETHANOL,086770-74-3,160103,2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol,C(COCCOCCOCCO)N,"InChI=1S/C8H19NO4/c9-1-3-11-5-7-13-8-6-12-4-2-10/h10H,1-9H2",ANOJXMUSDYSKET-UHFFFAOYSA-N,C8H19NO4,193.24,193.1314081,-1.8,73.9,92,0,2,5,10,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-Acetyl-DL-leucine,000099-15-0,1995,2-acetamido-4-methylpentanoic acid,CC(C)CC(C(=O)O)NC(=O)C,"InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)",WXNXCEHXYPACJF-UHFFFAOYSA-N,C8H15NO3,173.21,173.1051933,0.5,66.4,177,0,2,3,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BORON-11B OXIDE,077704-22-4,16212771,oxo(oxo(11B)oxy)(11B)borane,[11B](=O)O[11B]=O,"InChI=1S/B2O3/c3-1-5-2-4/i1+0,2+0",JKWMSGQKBLHBQQ-ZCWHFVSRSA-N,B2O3,70.017,70.0033542,,43.4,34,0,0,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
L-(-)-MALIC ACID SODIUM SALT,068303-40-2,25113561,"sodium (2S)-2,4-dihydroxy-4-oxobutanoate",C([C@@H](C(=O)[O-])O)C(=O)O.[Na+],"InChI=1S/C4H6O5.Na/c5-2(4(8)9)1-3(6)7;/h2,5H,1H2,(H,6,7)(H,8,9);/q;+1/p-1/t2-;/m0./s1",DOJOZCIMYABYPO-DKWTVANSSA-M,C4H5NaO5,156.07,156.0034675,,97.7,134,0,2,5,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-CHLOROPROPYLAMINE HYDROCHLORIDE,006276-54-6,11469095,3-chloropropan-1-amine;hydrochloride,C(CN)CCl.Cl,"InChI=1S/C3H8ClN.ClH/c4-2-1-3-5;/h1-3,5H2;1H",IHPRVZKJZGXTBQ-UHFFFAOYSA-N,C3H9Cl2N,130.01,129.0112047,,26,16,0,2,1,2,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"1,3-BIS[3-(DIMETHYLAMINO)PROPYL]UREA",052338-87-1,104163,"1,3-bis[3-(dimethylamino)propyl]urea",CN(C)CCCNC(=O)NCCCN(C)C,"InChI=1S/C11H26N4O/c1-14(2)9-5-7-12-11(16)13-8-6-10-15(3)4/h5-10H2,1-4H3,(H2,12,13,16)",FCQPNTOQFPJCMF-UHFFFAOYSA-N,C11H26N4O,230.35,230.2106615,0.2,47.6,165,0,2,3,8,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
SUCCINIC-D4 ACID,014493-42-6,12998487,"2,2,3,3-tetradeuteriobutanedioic acid",[2H]C([2H])(C(=O)O)C([2H])([2H])C(=O)O,"InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/i1D2,2D2",KDYFGRWQOYBRFD-LNLMKGTHSA-N,C4H6O4,122.11,122.0517157,-0.6,74.6,92,0,2,4,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM ALLYLTRIFLUOROBORATE,233664-53-4,23664277,potassium trifluoro(prop-2-enyl)boranuide,[B-](CC=C)(F)(F)F.[K+],"InChI=1S/C3H5BF3.K/c1-2-3-4(5,6)7;/h2H,1,3H2;/q-1;+1",TVPZAMJXLCDMIT-UHFFFAOYSA-N,C3H5BF3K,147.98,148.0073463,,0,69,0,0,4,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(CARBOMETHOXY)ETHYLTRIMETHOXYSILANE,076301-00-3,10198197,methyl 3-trimethoxysilylpropanoate,COC(=O)CC[Si](OC)(OC)OC,"InChI=1S/C7H16O5Si/c1-9-7(8)5-6-13(10-2,11-3)12-4/h5-6H2,1-4H3",XJLTZAGUXSAJCZ-UHFFFAOYSA-N,C7H16O5Si,208.28,208.0767001,,54,149,0,0,5,7,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
AMINOPROPYL TERMINATED POLYDIMETHYLSILOXANE,106214-84-0,15239622,3-[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine,C[Si](C)(CCCN)O[Si](C)(C)O[Si](C)(C)CCCN,"InChI=1S/C12H34N2O2Si3/c1-17(2,11-7-9-13)15-19(5,6)16-18(3,4)12-8-10-14/h7-14H2,1-6H3",ZWRBLCDTKAWRHT-UHFFFAOYSA-N,C12H34N2O2Si3,322.67,322.1928079,,70.5,237,0,2,4,10,19,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
(+)-2-HYDROXYBUTYRIC ACID,003347-90-8,440864,(2S)-2-hydroxybutanoic acid,CC[C@@H](C(=O)O)O,"InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1",AFENDNXGAFYKQO-VKHMYHEASA-N,C4H8O3,104.1,104.0473441,0.1,57.5,69,0,2,3,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COBALT DISTEARATE,001002-88-6,6451168,cobalt(2+);bis(octadecanoate),CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Co+2],"InChI=1S/2C18H36O2.Co/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",AMFIJXSMYBKJQV-UHFFFAOYSA-L,C36H70CoO4,625.9,625.460604,,80.3,196,0,0,4,30,41,,,0,0,0,0,0,1,1,1,0,0,0,0,0,0,1,0,1,1,0,0
(R)-2-HYDROXYBUTYRIC ACID,020016-85-7,449265,(2R)-2-hydroxybutanoic acid,CC[C@H](C(=O)O)O,"InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1",AFENDNXGAFYKQO-GSVOUGTGSA-N,C4H8O3,104.1,104.0473441,0.1,57.5,69,0,2,3,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(S)-TRANS-2-AMINO-4-(2-AMINOETHOXY)-3-
BUTENOIC ACID HYDROCHLORIDE",055720-26-8,16211101,"(E,2S)-2-amino-4-(2-aminoethoxy)but-3-enoic acid;hydrochloride",C(CO/C=C/[C@@H](C(=O)O)N)N.Cl,"InChI=1S/C6H12N2O3.ClH/c7-2-4-11-3-1-5(8)6(9)10;/h1,3,5H,2,4,7-8H2,(H,9,10);1H/b3-1+;/t5-;/m0./s1",ZDCPLYVEFATMJF-BTIOQYSDSA-N,C6H13ClN2O3,196.63,196.06147,,98.6,147,0,4,5,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BIS(2-BROMOETHYL) ETHER,005414-19-7,21521,1-bromo-2-(2-bromoethoxy)ethane,C(CBr)OCCBr,InChI=1S/C4H8Br2O/c5-1-3-7-4-2-6/h1-4H2,FOZVXADQAHVUSV-UHFFFAOYSA-N,C4H8Br2O,231.91,231.89214,1.6,9.2,28,0,0,1,4,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(2-([2-(2-HYDROXYETHOXY)ETHYL]AMINO)ETHOXY)ETHAN-1-OL(NH-BIS-PEG2),054384-47-3,12212447,2-[2-[2-(2-hydroxyethoxy)ethylamino]ethoxy]ethanol,C(COCCO)NCCOCCO,"InChI=1S/C8H19NO4/c10-3-7-12-5-1-9-2-6-13-8-4-11/h9-11H,1-8H2",HPYJVTFKENYYFK-UHFFFAOYSA-N,C8H19NO4,193.24,193.1314081,-1.9,71,82,0,3,5,10,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(2-BROMOETHOXY)ETHANOL(BROMO-PEG2-ALCOHOL),057641-66-4,11819432,2-(2-bromoethoxy)ethanol,C(COCCBr)O,"InChI=1S/C4H9BrO2/c5-1-3-7-4-2-6/h6H,1-4H2",JTOJLOUPDKBCCH-UHFFFAOYSA-N,C4H9BrO2,169.02,167.97859,0.2,29.5,32,0,1,2,4,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-ACETAMIDOHEXANOIC ACID,000057-08-9,2005,6-acetamidohexanoic acid,CC(=O)NCCCCCC(=O)O,"InChI=1S/C8H15NO3/c1-7(10)9-6-4-2-3-5-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)",WDSCBUNMANHPFH-UHFFFAOYSA-N,C8H15NO3,173.21,173.1051933,0.1,66.4,156,0,2,3,6,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OCTADECANAMIDE, N-(2-HYDROXYETHYL)-",000111-57-9,27902,N-(2-hydroxyethyl)octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCO,"InChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h22H,2-19H2,1H3,(H,21,23)",OTGQIQQTPXJQRG-UHFFFAOYSA-N,C20H41NO2,327.5,327.3137296,7.3,49.3,244,0,2,2,18,23,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPANOL, 1-[(2-AMINOETHYL)AMINO]-",000123-84-2,101594,1-(2-aminoethylamino)propan-2-ol,CC(CNCCN)O,"InChI=1S/C5H14N2O/c1-5(8)4-7-3-2-6/h5,7-8H,2-4,6H2,1H3",CWKVFRNCODQPDB-UHFFFAOYSA-N,C5H14N2O,118.18,118.1106131,-1.4,58.3,49,0,3,3,4,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PROPANESULFONIC ACID, 3-CHLORO-2-HYDROXY-, MONOSODIUM SALT",000126-83-0,23662382,sodium 3-chloro-2-hydroxypropane-1-sulfonate,C(C(CCl)O)S(=O)(=O)[O-].[Na+],"InChI=1S/C3H7ClO4S.Na/c4-1-3(5)2-9(6,7)8;/h3,5H,1-2H2,(H,6,7,8);/q;+1/p-1",TZLNJNUWVOGZJU-UHFFFAOYSA-M,C3H6ClNaO4S,196.59,195.9573018,,85.8,162,0,1,4,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANOIC ACID, 2,2-DICHLORO-, SODIUM SALT",000127-20-8,517058,"sodium 2,2-dichloropropanoate",CC(C(=O)[O-])(Cl)Cl.[Na+],"InChI=1S/C3H4Cl2O2.Na/c1-3(4,5)2(6)7;/h1H3,(H,6,7);/q;+1/p-1",PDEFQWNXOUGDJR-UHFFFAOYSA-M,C3H3Cl2NaO2,164.95,163.940779,,40.1,93,0,0,2,1,8,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"OCTADECANAMIDE, N-[2-[(2-HYDROXYETHYL)AMINO]ETHYL]-",000141-21-9,8838,N-[2-(2-hydroxyethylamino)ethyl]octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCNCCO,"InChI=1S/C22H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25/h23,25H,2-21H2,1H3,(H,24,26)",KWTFEBYZFYIHFO-UHFFFAOYSA-N,C22H46N2O2,370.6,370.3559287,6.8,61.4,285,0,3,3,21,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,1,0,0
"7-OCTEN-1-OL, 3,7-DIMETHYL-",000141-25-3,543323,"3,7-dimethyloct-7-en-1-ol",CC(CCCC(=C)C)CCO,"InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h10-11H,1,4-8H2,2-3H3",JGQFVRIQXUFPAH-UHFFFAOYSA-N,C10H20O,156.26,156.1514153,3.5,20.2,107,0,1,1,6,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"SULFURIC ACID, MONOETHYL ESTER",000540-82-9,6004,ethyl hydrogen sulfate,CCOS(=O)(=O)O,"InChI=1S/C2H6O4S/c1-2-6-7(3,4)5/h2H2,1H3,(H,3,4,5)",KIWBPDUYBMNFTB-UHFFFAOYSA-N,C2H6O4S,126.13,125.9986798,-0.5,72,117,0,1,4,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"HEXADECANAMIDE, N-(2-HYDROXYETHYL)-",000544-31-0,4671,N-(2-hydroxyethyl)hexadecanamide,CCCCCCCCCCCCCCCC(=O)NCCO,"InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)",HXYVTAGFYLMHSO-UHFFFAOYSA-N,C18H37NO2,299.5,299.2824294,6.2,49.3,219,0,2,2,16,21,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANOIC ACID, ZINC SALT",000557-28-8,11189,zinc propanoate,CCC(=O)[O-].CCC(=O)[O-].[Zn+2],"InChI=1S/2C3H6O2.Zn/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2",XDWXRAYGALQIFG-UHFFFAOYSA-L,C6H10O4Zn,211.5,209.987051,,80.3,34,0,0,4,0,11,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-PENTENOIC ACID, 2-ACETYL-, ETHYL ESTER",000610-89-9,95448,ethyl 2-acetylpent-4-enoate,CCOC(=O)C(CC=C)C(=O)C,"InChI=1S/C9H14O3/c1-4-6-8(7(3)10)9(11)12-5-2/h4,8H,1,5-6H2,2-3H3",IXKFNTFJUHTDNE-UHFFFAOYSA-N,C9H14O3,170.21,170.0942943,1.7,43.4,184,0,0,3,6,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-",000624-15-7,4458,"3,7-dimethylocta-2,6-dien-1-ol",CC(=CCCC(=CCO)C)C,"InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3",GLZPCOQZEFWAFX-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,2.9,20.2,150,0,1,1,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"PROPANE, 1,1,1,2,3,3,3-HEPTAFLUORO-2-IODO-",000677-69-0,33978,"1,1,1,2,3,3,3-heptafluoro-2-iodopropane",C(C(F)(F)F)(C(F)(F)F)(F)I,"InChI=1S/C3F7I/c4-1(11,2(5,6)7)3(8,9)10",BBZVTTKMXRPMHZ-UHFFFAOYSA-N,C3F7I,295.93,295.89329,3.4,0,129,0,0,7,0,11,,,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
TETRADECANEDIOIC ACID,000821-38-5,13185,tetradecanedioic acid,C(CCCCCCC(=O)O)CCCCCC(=O)O,"InChI=1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)",HQHCYKULIHKCEB-UHFFFAOYSA-N,C14H26O4,258.35,258.1831093,4.3,74.6,202,0,2,4,13,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PENTANOIC ACID, 4,4-DIMETHYL-",001118-47-4,14237,"4,4-dimethylpentanoic acid",CC(C)(C)CCC(=O)O,"InChI=1S/C7H14O2/c1-7(2,3)5-4-6(8)9/h4-5H2,1-3H3,(H,8,9)",HMMSZUQCCUWXRA-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,1.8,37.3,100,0,1,2,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TIN CHLORIDE,001344-13-4,159610,tin(4+) tetrachloride,[Cl-].[Cl-].[Cl-].[Cl-].[Sn+4],InChI=1S/4ClH.Sn/h4*1H;/q;;;;+4/p-4,HPGGPRDJHPYFRM-UHFFFAOYSA-J,Cl4Sn,260.5,261.774663,,0,0,0,0,4,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,1,1,0
"PROPANOIC ACID, 3-(DODECYLTHIO)-",001462-52-8,73834,3-dodecylsulfanylpropanoic acid,CCCCCCCCCCCCSCCC(=O)O,"InChI=1S/C15H30O2S/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15(16)17/h2-14H2,1H3,(H,16,17)",VKLOPQHLJNFYKK-UHFFFAOYSA-N,C15H30O2S,274.5,274.1966514,6,62.6,183,0,1,3,14,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
".BETA.-ALANINE, N-DODECYL-",001462-54-0,15099,3-(dodecylamino)propanoic acid,CCCCCCCCCCCCNCCC(=O)O,"InChI=1S/C15H31NO2/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15(17)18/h16H,2-14H2,1H3,(H,17,18)",AEDQNOLIADXSBB-UHFFFAOYSA-N,C15H31NO2,257.41,257.2354792,2.6,49.3,183,0,2,3,14,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, TRI-2-PROPENYL ESTER",001623-19-4,15390,tris(prop-2-enyl) phosphate,C=CCOP(=O)(OCC=C)OCC=C,"InChI=1S/C9H15O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-6H,1-3,7-9H2",XHGIFBQQEGRTPB-UHFFFAOYSA-N,C9H15O4P,218.19,218.070796,1.5,44.8,199,0,0,4,9,14,,80 °C @ 0.5 MM HG,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHORIC ACID, DIPROPYL ESTER",001804-93-9,74544,dipropyl hydrogen phosphate,CCCOP(=O)(O)OCCC,"InChI=1S/C6H15O4P/c1-3-5-9-11(7,8)10-6-4-2/h3-6H2,1-2H3,(H,7,8)",QVKQJEWZVQFGIY-UHFFFAOYSA-N,C6H15O4P,182.15,182.070796,0.4,55.8,125,0,1,4,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANOL, 2-[[2-[(2-AMINOETHYL)AMINO]ETHYL]AMINO]-",001965-29-3,110301,2-[2-(2-aminoethylamino)ethylamino]ethanol,C(CNCCNCCO)N,"InChI=1S/C6H17N3O/c7-1-2-8-3-4-9-5-6-10/h8-10H,1-7H2",HVOBSBRYQIYZNY-UHFFFAOYSA-N,C6H17N3O,147.22,147.1371622,-2.3,70.3,61,0,4,4,7,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHINE SULFIDE, TRIOCTYL-",002551-53-3,75697,trioctyl(sulfanylidene)-lambda5-phosphane,CCCCCCCCP(=S)(CCCCCCCC)CCCCCCCC,"InChI=1S/C24H51PS/c1-4-7-10-13-16-19-22-25(26,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3",PIOZWDBMINZWGJ-UHFFFAOYSA-N,C24H51PS,402.7,402.3449098,11.4,32.1,266,0,0,1,21,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"N,N-DIMETHYL-1-OCTANAMINE N-OXIDE",002605-78-9,62451,"N,N-dimethyloctan-1-amine oxide",CCCCCCCC[N+](C)(C)[O-],"InChI=1S/C10H23NO/c1-4-5-6-7-8-9-10-11(2,3)12/h4-10H2,1-3H3",RSVIRMFSJVHWJV-UHFFFAOYSA-N,C10H23NO,173.3,173.1779644,3.1,18.1,102,0,0,1,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEPTANOIC ACID, 2-ETHYL-",003274-29-1,18648,2-ethylheptanoic acid,CCCCCC(CC)C(=O)O,"InChI=1S/C9H18O2/c1-3-5-6-7-8(4-2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11)",DYWSVUBJGFTOQC-UHFFFAOYSA-N,C9H18O2,158.24,158.1306798,3.2,37.3,110,0,1,2,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-HEXADECANOL, DIHYDROGEN PHOSPHATE",003539-43-3,19059,hexadecyl dihydrogen phosphate,CCCCCCCCCCCCCCCCOP(=O)(O)O,"InChI=1S/C16H35O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h2-16H2,1H3,(H2,17,18,19)",ZUVCYFMOHFTGDM-UHFFFAOYSA-N,C16H35O4P,322.42,322.2272966,6.2,66.8,253,0,2,4,16,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-HEXANOL, 3,5-DIMETHYL-",004209-91-0,98266,"3,5-dimethylhexan-3-ol",CCC(C)(CC(C)C)O,"InChI=1S/C8H18O/c1-5-8(4,9)6-7(2)3/h7,9H,5-6H2,1-4H3",INMGJWCKWKKMPN-UHFFFAOYSA-N,C8H18O,130.23,130.1357652,2.4,20.2,78,0,1,1,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"SULFURIC ACID, MONODODECYL ESTER, COMPD. WITH 2-AMINOETHANOL (1:1)",004722-98-9,78449,2-aminoethanol;dodecyl hydrogen sulfate,CCCCCCCCCCCCOS(=O)(=O)O.C(CO)N,"InChI=1S/C12H26O4S.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;3-1-2-4/h2-12H2,1H3,(H,13,14,15);4H,1-3H2",QVBODZPPYSSMEL-UHFFFAOYSA-N,C14H33NO5S,327.48,327.2079443,,118,254,0,3,6,13,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"5-HEPTEN-2-OL, 2,6-DIMETHYL-",006090-15-9,80183,"2,6-dimethylhept-5-en-2-ol",CC(=CCCC(C)(C)O)C,"InChI=1S/C9H18O/c1-8(2)6-5-7-9(3,4)10/h6,10H,5,7H2,1-4H3",URIIVOSFQJXLPT-UHFFFAOYSA-N,C9H18O,142.24,142.1357652,2.5,20.2,119,0,1,1,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"7-OCTEN-1-OL, 3,7-DIMETHYL-, (S)-",006812-78-8,81263,"(3S)-3,7-dimethyloct-7-en-1-ol",C[C@@H](CCCC(=C)C)CCO,"InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h10-11H,1,4-8H2,2-3H3/t10-/m0/s1",JGQFVRIQXUFPAH-JTQLQIEISA-N,C10H20O,156.26,156.1514153,3.5,20.2,107,0,1,1,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"3-DODECANOL, 3,7,11-TRIMETHYL-",007278-65-1,23701,"3,7,11-trimethyldodecan-3-ol",CCC(C)(CCCC(C)CCCC(C)C)O,"InChI=1S/C15H32O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h13-14,16H,6-12H2,1-5H3",NUKWKMGANFONQP-UHFFFAOYSA-N,C15H32O,228.41,228.2453156,5.7,20.2,165,0,1,1,9,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BUTENEDIOIC ACID (Z)-, MONO(2-ETHYLHEXYL) ESTER",007423-42-9,5365056,(Z)-4-(2-ethylhexoxy)-4-oxobut-2-enoic acid,CCCCC(CC)COC(=O)/C=C\C(=O)O,"InChI=1S/C12H20O4/c1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14/h7-8,10H,3-6,9H2,1-2H3,(H,13,14)/b8-7-",IQBLWPLYPNOTJC-FPLPWBNLSA-N,C12H20O4,228.28,228.1361591,3,63.6,245,0,1,4,9,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"HEXADECANAMIDE, N,N-BIS(2-HYDROXYETHYL)-",007545-24-6,82046,"N,N-bis(2-hydroxyethyl)hexadecanamide",CCCCCCCCCCCCCCCC(=O)N(CCO)CCO,"InChI=1S/C20H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)21(16-18-22)17-19-23/h22-23H,2-19H2,1H3",VJESJEJNMGVQLZ-UHFFFAOYSA-N,C20H41NO3,343.5,343.3086442,5.7,60.8,266,0,2,3,18,24,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-PROPANAMINE, 3-(DODECYLOXY)-",007617-74-5,65596,3-dodecoxypropan-1-amine,CCCCCCCCCCCCOCCCN,"InChI=1S/C15H33NO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h2-16H2,1H3",ZRJOUVOXPWNFOF-UHFFFAOYSA-N,C15H33NO,243.43,243.2562147,5.1,35.3,128,0,1,2,14,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9-OCTADECEN-1-OL, DIHYDROGEN PHOSPHATE, (Z)-",007722-71-6,6436357,[(Z)-octadec-9-enyl] dihydrogen phosphate,CCCCCCCC/C=C\CCCCCCCCOP(=O)(O)O,"InChI=1S/C18H37O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h9-10H,2-8,11-18H2,1H3,(H2,19,20,21)/b10-9-",MEESPVWIOBCLJW-KTKRTIGZSA-N,C18H37O4P,348.5,348.2429467,6.3,66.8,312,0,2,4,17,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, COPPER(2+) SALT (2:3)",007798-23-4,86469,tricopper diphosphate,[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Cu+2].[Cu+2].[Cu+2],"InChI=1S/3Cu.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6",GQDHEYWVLBJKBA-UHFFFAOYSA-H,Cu3O8P2,380.58,380.69382,,173,36,0,0,8,0,13,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
FICIN,009001-33-6,129630591,fluoro-[(imino-lambda3-iodanyl)methylidene]-lambda3-iodane,C(=IF)I=N,"InChI=1S/CH2FI2N/c2-3-1-4-5/h1,5H",POTUGHMKJGOKRI-UHFFFAOYSA-N,CH2FI2N,300.841,300.82607,2,23.9,51,0,1,2,1,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
AMINOACYLASE,009012-37-7,129012201,molecular hydrogen,[HH].[HH].[HH],InChI=1S/3H2/h3*1H,PKPFMBDWLJKOEO-UHFFFAOYSA-N,H6,6.048,6.046950191,,0,0,0,0,0,0,0,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
COBALT TITANIUM OXIDE (COTIO3),012017-01-5,159395,cobalt(2+);tris(oxygen(2-));titanium(4+),[O-2].[O-2].[O-2].[Ti+4].[Co+2],InChI=1S/Co.3O.Ti/q+2;3*-2;+4,LFSBSHDDAGNCTM-UHFFFAOYSA-N,CoO3Ti,154.798,154.865878,,3,0,0,0,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
COBALT TITANIUM OXIDE (CO2TIO4),012017-38-8,155491167,bis(cobalt(2+));tetrakis(oxygen(2-));titanium,[O-2].[O-2].[O-2].[O-2].[Ti].[Co+2].[Co+2],InChI=1S/2Co.4O.Ti/q2*+2;4*-2;,XPEYSUHPJRBMAV-UHFFFAOYSA-N,Co2O4Ti-4,229.73,229.793986,,4,0,-4,0,4,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
CALCIUM OXIDE SILICATE (CA3O(SIO4)),012168-85-3,25523,dicalcium;oxocalcium;silicate,[O-][Si]([O-])([O-])[O-].O=[Ca].[Ca+2].[Ca+2],"InChI=1S/3Ca.O4Si.O/c;;;1-5(2,3)4;/q;2*+2;-4;",BCAARMUWIRURQS-UHFFFAOYSA-N,Ca3O5Si,228.32,227.8392722,,109,21,0,0,5,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CHROMIUM HYDROXIDE SULFATE (CR(OH)(SO4)),012336-95-7,61561,chromium(3+);hydroxide;sulfate,[OH-].[O-]S(=O)(=O)[O-].[Cr+3],"InChI=1S/Cr.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+3;;/p-3",DSHWASKZZBZKOE-UHFFFAOYSA-K,CrHO5S,165.07,164.894974,,89.6,62,0,1,5,0,7,,,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"BUTANEDIOIC ACID, SULFO-, TRISODIUM SALT",013419-59-5,61598,trisodium;2-sulfonatobutanedioate,C(C(C(=O)[O-])S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+],"InChI=1S/C4H6O7S.3Na/c5-3(6)1-2(4(7)8)12(9,10)11;;;/h2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);;;/q;3*+1/p-3",ZXGOACRTCPRVON-UHFFFAOYSA-K,C4H3Na3O7S,264.1,263.9292565,,146,259,0,0,7,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
(T-4)-TETRAFLUOROALUMINATE(1-) POTASSIUM,014484-69-6,16714211,potassium tetrafluoroalumanuide,F[Al-](F)(F)F.[K+],InChI=1S/Al.4FH.K/h;4*1H;/q+3;;;;;+1/p-4,SKFYTVYMYJCRET-UHFFFAOYSA-J,AlF4K,142.0735,141.9388575,,0,19,0,0,5,0,6,,,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
"HEXANOIC ACID, 2-ETHYL-, LITHIUM SALT",015590-62-2,23672311,lithium 2-ethylhexanoate,[Li+].CCCCC(CC)C(=O)[O-],"InChI=1S/C8H16O2.Li/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1",MAZKNBXUMANNDL-UHFFFAOYSA-M,C8H15LiO2,150.2,150.1232082,,40.1,104,0,0,2,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"GLYCINE, N-METHYL-N-(1-OXO-9-OCTADECENYL)-, CALCIUM SALT, (Z)-",016026-16-7,6436432,calcium bis(2-[methyl-[(Z)-octadec-9-enoyl]amino]acetate),CCCCCCCC/C=C\CCCCCCCC(=O)N(CC(=O)[O-])C.CCCCCCCC/C=C\CCCCCCCC(=O)N(CC(=O)[O-])C.[Ca+2],"InChI=1S/2C21H39NO3.Ca/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;/h2*10-11H,3-9,12-19H2,1-2H3,(H,24,25);/q;;+2/p-2/b2*11-10-;",YUYLGIXKGUIIBR-DEZACRSWSA-L,C42H76CaN2O6,745.1,744.532929,,121,361,0,0,6,32,51,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPANOL, 1-CHLORO-3-(HEXYLOXY)-",016224-24-1,85977,1-chloro-3-hexoxypropan-2-ol,CCCCCCOCC(CCl)O,"InChI=1S/C9H19ClO2/c1-2-3-4-5-6-12-8-9(11)7-10/h9,11H,2-8H2,1H3",DNZUNVIOUMBUHF-UHFFFAOYSA-N,C9H19ClO2,194.7,194.1073575,2.4,29.5,88,0,1,2,8,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2,4-TRIMETHYLHEXAMETHYLENE DIISOCYANATE",016938-22-0,61858,"1,6-diisocyanato-2,2,4-trimethylhexane",CC(CCN=C=O)CC(C)(C)CN=C=O,"InChI=1S/C11H18N2O2/c1-10(4-5-12-8-14)6-11(2,3)7-13-9-15/h10H,4-7H2,1-3H3",ATOUXIOKEJWULN-UHFFFAOYSA-N,C11H18N2O2,210.27,210.1368278,4.5,58.9,274,0,0,4,7,15,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"1-HEXADECANOL, HYDROGEN PHOSPHATE, POTASSIUM SALT",017026-47-0,23678417,potassium dihexadecyl phosphate,CCCCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCCCC.[K+],"InChI=1S/C32H67O4P.K/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-32H2,1-2H3,(H,33,34);/q;+1/p-1",INJCIHHCTBEDST-UHFFFAOYSA-M,C32H66KO4P,584.9,584.4335791,,58.6,440,0,0,4,32,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"9-OCTADECEN-1-OL, HYDROGEN SULFATE, AMMONIUM SALT, (Z)-",017209-70-0,6441407,azanium [(Z)-octadec-9-enyl] sulfate,CCCCCCCC/C=C\CCCCCCCCOS(=O)(=O)[O-].[NH4+],"InChI=1S/C18H36O4S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h9-10H,2-8,11-18H2,1H3,(H,19,20,21);1H3/b10-9-;",FFZMMILMNFFUCX-KVVVOXFISA-N,C18H39NO4S,365.6,365.2599799,,75.8,344,0,1,4,16,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-Propanol, 1-chloro-3-(2-hydroxyethyl)-",018371-74-9,86713,1-chloro-3-(2-hydroxyethoxy)propan-2-ol,C(COCC(CCl)O)O,"InChI=1S/C5H11ClO3/c6-3-5(8)4-9-2-1-7/h5,7-8H,1-4H2",DIBFLXZFUXWPNS-UHFFFAOYSA-N,C5H11ClO3,154.59,154.0396719,-0.6,49.7,60,0,2,3,5,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PROPANAMINIUM, 2-HYDROXY-N,N-DIMETHYL-N-[3-[(1-OXODODECYL)AMINO]PROPYL]-3-SU",019223-55-3,83841,3-[3-(dodecanoylamino)propyl-dimethylazaniumyl]-2-hydroxypropane-1-sulfonate,CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)[O-])O,"InChI=1S/C20H42N2O5S/c1-4-5-6-7-8-9-10-11-12-14-20(24)21-15-13-16-22(2,3)17-19(23)18-28(25,26)27/h19,23H,4-18H2,1-3H3,(H-,21,24,25,26,27)",IXOCGRPBILEGOX-UHFFFAOYSA-N,C20H42N2O5S,422.6,422.2814436,3.3,115,490,0,2,5,17,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM 2-ETHYLHEXANOATE,019766-89-3,23672331,sodium 2-ethylhexanoate,CCCCC(CC)C(=O)[O-].[Na+],"InChI=1S/C8H16O2.Na/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1",VYPDUQYOLCLEGS-UHFFFAOYSA-M,C8H15NaO2,166.19,166.096974,,40.1,104,0,0,2,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"1-DECANAMINE, N-METHYL-N-OCTYL-",022020-14-0,89152,N-methyl-N-octyldecan-1-amine,CCCCCCCCCCN(C)CCCCCCCC,"InChI=1S/C19H41N/c1-4-6-8-10-12-13-15-17-19-20(3)18-16-14-11-9-7-5-2/h4-19H2,1-3H3",CQFRPHDWUIZNOK-UHFFFAOYSA-N,C19H41N,283.5,283.3239003,8.2,3.2,167,0,0,1,16,20,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"UREA, [3-(TRIETHOXYSILYL)PROPYL]-",023779-32-0,90258,3-triethoxysilylpropylurea,CCO[Si](CCCNC(=O)N)(OCC)OCC,"InChI=1S/C10H24N2O4Si/c1-4-14-17(15-5-2,16-6-3)9-7-8-12-10(11)13/h4-9H2,1-3H3,(H3,11,12,13)",LVNLBBGBASVLLI-UHFFFAOYSA-N,C10H24N2O4Si,264.39,264.1505338,,82.8,199,0,2,4,10,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"DECANOIC ACID, 2-METHYL-",024323-23-7,91167,2-methyldecanoic acid,CCCCCCCCC(C)C(=O)O,"InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10(2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)",SAOSCTYRONNFTC-UHFFFAOYSA-N,C11H22O2,186.29,186.1619799,4.5,37.3,132,0,1,2,8,13,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"OCTANOIC ACID, 2-ETHYL-",025234-25-7,91342,2-ethyloctanoic acid,CCCCCCC(CC)C(=O)O,"InChI=1S/C10H20O2/c1-3-5-6-7-8-9(4-2)10(11)12/h9H,3-8H2,1-2H3,(H,11,12)",DMUXSGAKEXSNGN-UHFFFAOYSA-N,C10H20O2,172.26,172.1463299,3.7,37.3,121,0,1,2,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-[2-[2-(TETRADECYLOXY)ETHOXY]ETHOXY]-, HYDROGEN SULFATE, SODIUM SALT",025446-80-4,23682189,sodium 2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl sulfate,CCCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-].[Na+],"InChI=1S/C20H42O7S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-15-16-25-17-18-26-19-20-27-28(21,22)23;/h2-20H2,1H3,(H,21,22,23);/q;+1/p-1",MDSQKJDNWUMBQQ-UHFFFAOYSA-M,C20H41NaO7S,448.6,448.2470691,,103,402,0,0,7,23,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"SULFOBUTANEDIOIC ACID, 1-[2-[(1-OXODODECYL)AMINO]ETHYL] ESTER, DISODIUM SALT",025882-44-4,117282,disodium;4-[2-(dodecanoylamino)ethoxy]-4-oxo-3-sulfonatobutanoate,CCCCCCCCCCCC(=O)NCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C18H33NO8S.2Na/c1-2-3-4-5-6-7-8-9-10-11-16(20)19-12-13-27-18(23)15(14-17(21)22)28(24,25)26;;/h15H,2-14H2,1H3,(H,19,20)(H,21,22)(H,24,25,26);;/q;2*+1/p-2",ZLXKGZDDAUUGBN-UHFFFAOYSA-L,C18H31NNa2O8S,467.5,467.1565767,,161,552,0,1,8,16,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, MONOBUTYL ESTER, DIPOTASSIUM SALT",026290-70-0,117772,dipotassium;butyl phosphate,CCCCOP(=O)([O-])[O-].[K+].[K+],"InChI=1S/C4H11O4P.2K/c1-2-3-4-8-9(5,6)7;;/h2-4H2,1H3,(H2,5,6,7);;/q;2*+1/p-2",ASQKVSNYBNCYBV-UHFFFAOYSA-L,C4H9K2O4P,230.28,229.9512587,,72.4,95,0,0,4,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-SULFO-.OMEGA.-(9-OCTADECENYLOXY)-, SODIUM SA",027233-34-7,57376532,disodium;1-octadec-9-enoxyoctadec-9-ene;sulfate,CCCCCCCCC=CCCCCCCCCOCCCCCCCCC=CCCCCCCCC.[O-]S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C36H70O.2Na.H2O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;;1-5(2,3)4/h17-20H,3-16,21-36H2,1-2H3;;;(H2,1,2,3,4)/q;2*+1;/p-2",YUIBJZQCWWEQEP-UHFFFAOYSA-L,C36H70Na2O5S,661,660.4739351,,97.9,460,0,0,5,32,44,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"NEODECANOIC ACID, CALCIUM SALT",027253-33-4,118984397,"calcium bis(2,2-dimethyloctanoate)",CCCCCCC(C)(C)C(=O)[O-].CCCCCCC(C)(C)C(=O)[O-].[Ca+2],"InChI=1S/2C10H20O2.Ca/c2*1-4-5-6-7-8-10(2,3)9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2",FBEKWOCPHIOZKE-UHFFFAOYSA-L,C20H38CaO4,382.6,382.2396005,,80.3,133,0,0,4,10,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-PROPANAMINE, 3-(DODECYLTHIO)-",029873-33-4,97659,3-dodecylsulfanylpropan-1-amine,CCCCCCCCCCCCSCCCN,"InChI=1S/C15H33NS/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h2-16H2,1H3",AJJBNKUPXKYSKX-UHFFFAOYSA-N,C15H33NS,259.5,259.2333712,5.9,51.3,128,0,1,2,14,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"GLYCINE, N-METHYL-N-(1-OXOTETRADECYL)-, SODIUM SALT",030364-51-3,23687235,sodium 2-[methyl(tetradecanoyl)amino]acetate,CCCCCCCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+],"InChI=1S/C17H33NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(19)18(2)15-17(20)21;/h3-15H2,1-2H3,(H,20,21);/q;+1/p-1",KHCOJQDJOCNUGV-UHFFFAOYSA-M,C17H32NNaO3,321.4,321.2279882,,60.4,285,0,0,3,14,22,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-BUTANAMINE, N-[3-(TRIMETHOXYSILYL)PROPYL]-",031024-56-3,160192,N-(3-trimethoxysilylpropyl)butan-1-amine,CCCCNCCC[Si](OC)(OC)OC,"InChI=1S/C10H25NO3Si/c1-5-6-8-11-9-7-10-15(12-2,13-3)14-4/h11H,5-10H2,1-4H3",XCOASYLMDUQBHW-UHFFFAOYSA-N,C10H25NO3Si,235.4,235.1603702,,39.7,134,0,1,4,10,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,4-HEPTADIEN-1-OL, (E,E)-",033467-79-7,5367391,"(2E,4E)-hepta-2,4-dien-1-ol",CC/C=C/C=C/CO,"InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-6,8H,2,7H2,1H3/b4-3+,6-5+",MDRZSADXFOPYOC-VNKDHWASSA-N,C7H12O,112.17,112.088815,1.5,20.2,82,0,1,1,3,8,,,0,0,0,0,0,1,1,1,0,0,0,0,0,1,0,0,1,0,1,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-(CARBOXYMETHYL)-.OMEGA.-(DODECYLOXY)-, SODIU",033939-64-9,154267,2-(2-dodecoxyethoxy)acetic acid,CCCCCCCCCCCCOCCOCC(=O)O,"InChI=1S/C16H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-14-20-15-16(17)18/h2-15H2,1H3,(H,17,18)",OUNZARDETXBPIX-UHFFFAOYSA-N,C16H32O4,288.42,288.2300595,5.1,55.8,207,0,1,4,16,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-(CARBOXYMETHYL)-.OMEGA.-(HEXADECYLOXY)-, SOD",033939-65-0,23688956,sodium 2-(2-hexadecoxyethoxy)acetate,CCCCCCCCCCCCCCCCOCCOCC(=O)[O-].[Na+],"InChI=1S/C20H40O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-17-18-24-19-20(21)22;/h2-19H2,1H3,(H,21,22);/q;+1/p-1",DWPSYGLTBCBSMP-UHFFFAOYSA-M,C20H39NaO4,366.5,366.274604,,58.6,262,0,0,4,20,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"8,10-DODECADIEN-1-OL, (E,E)-",033956-49-9,1787910,"(8E,10E)-dodeca-8,10-dien-1-ol",C/C=C/C=C/CCCCCCCO,"InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-5,13H,6-12H2,1H3/b3-2+,5-4+",CSWBSLXBXRFNST-MQQKCMAXSA-N,C12H22O,182.3,182.1670653,3.9,20.2,136,0,1,1,8,13,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,1,1,0,0
"GLYCINE, N-[3-(DODECYLAMINO)PROPYL]-",034395-72-7,118678,2-[3-(dodecylamino)propylamino]acetic acid,CCCCCCCCCCCCNCCCNCC(=O)O,"InChI=1S/C17H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15-19-16-17(20)21/h18-19H,2-16H2,1H3,(H,20,21)",FDKNTODVCFVEDJ-UHFFFAOYSA-N,C17H36N2O2,300.5,300.2776784,2.6,61.4,223,0,3,4,17,21,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, DODECYL ESTER, POTASSIUM SALT",039322-78-6,11970398,dipotassium;dodecyl phosphate,CCCCCCCCCCCCOP(=O)([O-])[O-].[K+].[K+],"InChI=1S/C12H27O4P.2K/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;;/h2-12H2,1H3,(H2,13,14,15);;/q;2*+1/p-2",GWTCIAGIKURVBJ-UHFFFAOYSA-L,C12H25K2O4P,342.49,342.0764592,,72.4,191,0,0,4,11,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANEDIOIC ACID, SULFO-, 1-[1-METHYL-2-[(1-OXO-9-OCTADECENYL)AMINO]ETHYL] EST",043154-85-4,162546,disodium;4-[1-(octadec-9-enoylamino)propan-2-yloxy]-4-oxo-3-sulfonatobutanoate,CCCCCCCCC=CCCCCCCCC(=O)NCC(C)OC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C25H45NO8S.2Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)26-20-21(2)34-25(30)22(19-24(28)29)35(31,32)33;;/h10-11,21-22H,3-9,12-20H2,1-2H3,(H,26,27)(H,28,29)(H,31,32,33);;/q;2*+1/p-2",KUZLAYSZNFYDFT-UHFFFAOYSA-L,C25H43NNa2O8S,563.7,563.2504771,,161,711,0,1,8,21,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,4,6,8-Nonatetraenoic acid, 9-(2-acetyl-5,5-dimethyl-1-cyclopenten-1-yl)-3,7-",050890-51-2,303533,1-chloro-2-methylsulfonylethane,CS(=O)(=O)CCCl,"InChI=1S/C3H7ClO2S/c1-7(5,6)3-2-4/h2-3H2,1H3",DKWNYTKOLIZNAX-UHFFFAOYSA-N,C3H7ClO2S,142.61,141.9855283,0.2,42.5,120,0,0,2,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHORIC ACID, DODECYL ESTER, SODIUM SALT",050957-96-5,23676665,sodium dodecyl hydrogen phosphate,CCCCCCCCCCCCOP(=O)(O)[O-].[Na+],"InChI=1S/C12H27O4P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H2,13,14,15);/q;+1/p-1",JDSVWTAJRNTSSL-UHFFFAOYSA-M,C12H26NaO4P,288.3,288.1466406,,69.6,214,0,1,4,12,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, MONOISOTRIDECYL ESTER",050977-11-2,170946,11-methyldodecyl dihydrogen phosphate,CC(C)CCCCCCCCCCOP(=O)(O)O,"InChI=1S/C13H29O4P/c1-13(2)11-9-7-5-3-4-6-8-10-12-17-18(14,15)16/h13H,3-12H2,1-2H3,(H2,14,15,16)",ASBWGYODEQCTNZ-UHFFFAOYSA-N,C13H29O4P,280.34,280.1803464,4.3,66.8,225,0,2,4,12,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, ISOTRIDECYL ESTER",052933-07-0,104360,11-methyldodecan-1-ol;phosphoric acid,CC(C)CCCCCCCCCCO.OP(=O)(O)O,"InChI=1S/C13H28O.H3O4P/c1-13(2)11-9-7-5-3-4-6-8-10-12-14;1-5(2,3)4/h13-14H,3-12H2,1-2H3;(H3,1,2,3,4)",BZZRUHJGDOBTJL-UHFFFAOYSA-N,C13H31O5P,298.36,298.1909111,,98,149,0,4,5,10,19,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANAMIDE, N-[3-(DIMETHYLAMINO)PROPYL]-",053201-66-4,104430,N-[3-(dimethylamino)propyl]propanamide,CCC(=O)NCCCN(C)C,"InChI=1S/C8H18N2O/c1-4-8(11)9-6-5-7-10(2)3/h4-7H2,1-3H3,(H,9,11)",LPRTUAMEQDRMAZ-UHFFFAOYSA-N,C8H18N2O,158.24,158.1419132,0.4,32.3,113,0,1,2,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANEDIOIC ACID, SULFO-, 1,4-BIS(3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUOROOCTYL",054950-05-9,23688999,"sodium 1,4-dioxo-1,4-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)butane-2-sulfonate",C(COC(=O)CC(C(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)[O-])C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[Na+],"InChI=1S/C20H12F26O7S.Na/c21-9(22,11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)43)1-3-52-7(47)5-6(54(49,50)51)8(48)53-4-2-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(44,45)46;/h6H,1-5H2,(H,49,50,51);/q;+1/p-1",ZYSXJSUKIXPQGO-UHFFFAOYSA-M,C20H11F26NaO7S,912.3,911.9708004,,118,1470,0,0,33,20,55,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"NEODECANOIC ACID, MAGNESIUM SALT",057453-97-1,93673,"magnesium 3,3,5,5-tetramethylhexanoate",CC(C)(C)CC(C)(C)CC(=O)[O-].[Mg+2],"InChI=1S/C10H20O2.Mg/c1-9(2,3)7-10(4,5)6-8(11)12;/h6-7H2,1-5H3,(H,11,12);/q;+2/p-1",PWHZISRQZCOJAF-UHFFFAOYSA-M,C10H19MgO2+,195.56,195.1235465,,40.1,158,1,0,2,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANOIC ACID, 4-(9-OCTADECENYLAMINO)-4-OXOSULFO-, DISODIUM SALT, (Z)-",058353-68-7,94026,disodium;4-(octadec-9-enylamino)-4-oxo-2-sulfonatobutanoate,CCCCCCCCC=CCCCCCCCCNC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C22H41NO6S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(24)19-20(22(25)26)30(27,28)29;;/h9-10,20H,2-8,11-19H2,1H3,(H,23,24)(H,25,26)(H,27,28,29);;/q;2*+1/p-2",PLHAFYWVSVUQCQ-UHFFFAOYSA-L,C22H39NNa2O6S,491.6,491.2293477,,135,564,0,1,6,18,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANEDIOIC ACID, SULFO-, 1,4-BIS(2,6-DIMETHYLHEPTYL) ESTER, SODIUMSALT",063217-13-0,23668811,"sodium 1,4-bis(2,6-dimethylheptoxy)-1,4-dioxobutane-2-sulfonate",CC(C)CCCC(C)COC(=O)CC(C(=O)OCC(C)CCCC(C)C)S(=O)(=O)[O-].[Na+],"InChI=1S/C22H42O7S.Na/c1-16(2)9-7-11-18(5)14-28-21(23)13-20(30(25,26)27)22(24)29-15-19(6)12-8-10-17(3)4;/h16-20H,7-15H2,1-6H3,(H,25,26,27);/q;+1/p-1",VKDIBUUSCYWJOQ-UHFFFAOYSA-M,C22H41NaO7S,472.6,472.2470691,,118,599,0,0,7,18,31,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-PROPANAMINIUM, N-[2-[BIS(2-HYDROXYPROPYL)AMINO]ETHYL]-2-HYDROXY-N-(2-HYDROXY",065059-61-2,103088,2-hydroxypropyl-[2-[2-hydroxypropyl(2-octadec-9-enoyloxypropyl)amino]ethyl]-methyl-(2-octadec-10-enoyloxypropyl)azanium;methyl sulfate,CCCCCCCCC=CCCCCCCCC(=O)OC(C)CN(CC[N+](C)(CC(C)O)CC(C)OC(=O)CCCCCCCCC=CCCCCCCC)CC(C)O.COS(=O)(=O)[O-],"InChI=1S/C51H99N2O6.CH4O4S/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-50(56)58-48(5)43-52(42-46(3)54)40-41-53(7,44-47(4)55)45-49(6)59-51(57)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-2;1-5-6(2,3)4/h21-24,46-49,54-55H,8-20,25-45H2,1-7H3;1H3,(H,2,3,4)/q+1;/p-1",TWNJSZBYPPKSFE-UHFFFAOYSA-M,C52H102N2O10S,947.4,946.7255186,,171,1110,0,2,11,45,65,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"OCTADECANOIC ACID, 9-(SULFOOXY)-, MONOSODIUM SALT",067815-91-2,23668646,sodium 1-carboxyheptadecan-8-yl sulfate,CCCCCCCCCC(CCCCCCCC(=O)O)OS(=O)(=O)[O-].[Na+],"InChI=1S/C18H36O6S.Na/c1-2-3-4-5-6-8-11-14-17(24-25(21,22)23)15-12-9-7-10-13-16-18(19)20;/h17H,2-16H2,1H3,(H,19,20)(H,21,22,23);/q;+1/p-1",LBBMGWMTZMVZCT-UHFFFAOYSA-M,C18H35NaO6S,402.5,402.2052043,,112,422,0,1,6,18,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"OCTADECANOIC ACID, 10-(SULFOOXY)-, 1-(2-METHYLPROPYL) ESTER, SODIUMSALT",067859-39-6,23675914,sodium [18-(2-methylpropoxy)-18-oxooctadecan-9-yl] sulfate,CCCCCCCCC(CCCCCCCCC(=O)OCC(C)C)OS(=O)(=O)[O-].[Na+],"InChI=1S/C22H44O6S.Na/c1-4-5-6-7-10-13-16-21(28-29(24,25)26)17-14-11-8-9-12-15-18-22(23)27-19-20(2)3;/h20-21H,4-19H2,1-3H3,(H,24,25,26);/q;+1/p-1",GJLBBZPTFQUFMJ-UHFFFAOYSA-M,C22H43NaO6S,458.6,458.2678045,,101,490,0,0,6,21,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"OCTADECANAMIDE, N-[2-[[2-[[2-[(2-AMINOETHYL)AMINO]ETHYL]AMINO]ETHYL]AMINO]ETHY",067953-23-5,106237,acetic acid;N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCN.CC(=O)O,"InChI=1S/C26H57N5O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)31-25-24-30-23-22-29-21-20-28-19-18-27;1-2(3)4/h28-30H,2-25,27H2,1H3,(H,31,32);1H3,(H,3,4)",QKHILJSKSVXETI-UHFFFAOYSA-N,C28H61N5O3,515.8,515.4774408,,129,399,0,6,7,27,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANEDIOIC ACID, 2-OCTADECENYL-",068015-93-0,107045,2-octadec-2-enylbutanedioic acid,CCCCCCCCCCCCCCCC=CCC(CC(=O)O)C(=O)O,"InChI=1S/C22H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22(25)26)19-21(23)24/h16-17,20H,2-15,18-19H2,1H3,(H,23,24)(H,25,26)",OVQJAEGJPUEXQD-UHFFFAOYSA-N,C22H40O4,368.5,368.2926598,8.1,74.6,376,0,2,4,19,26,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-DECYL-.OMEGA.-HYDROXY-, PHOSPHATE, POTASSIUM",068070-99-5,155041,potassium;2-decoxyethanol;phosphoric acid,CCCCCCCCCCOCCO.OP(=O)(O)O.[K+],"InChI=1S/C12H26O2.K.H3O4P/c1-2-3-4-5-6-7-8-9-11-14-12-10-13;;1-5(2,3)4/h13H,2-12H2,1H3;;(H3,1,2,3,4)/q;+1;",HXQFOFXDYBJAIF-UHFFFAOYSA-N,C12H29KO6P+,339.43,339.1338821,,107,144,1,4,6,11,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-TRIDECYL-.OMEGA.-HYDROXY-, PHOSPHATE, POTASS",068186-36-7,22833352,tripotassium;2-tridecoxyethanol;phosphate,CCCCCCCCCCCCCOCCO.[O-]P(=O)([O-])[O-].[K+].[K+].[K+],"InChI=1S/C15H32O2.3K.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16;;;;1-5(2,3)4/h16H,2-15H2,1H3;;;;(H3,1,2,3,4)/q;3*+1;/p-3",FZDZBILXWDNSRM-UHFFFAOYSA-K,C15H32K3O6P,456.68,456.0847702,,116,163,0,1,6,14,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"SULFURIC ACID, MONOISODECYL ESTER, SODIUM SALT",068299-17-2,23668684,sodium 8-methylnonyl sulfate,CC(C)CCCCCCCOS(=O)(=O)[O-].[Na+],"InChI=1S/C10H22O4S.Na/c1-10(2)8-6-4-3-5-7-9-14-15(11,12)13;/h10H,3-9H2,1-2H3,(H,11,12,13);/q;+1/p-1",SNTJMTFJNVQDSN-UHFFFAOYSA-M,C10H21NaO4S,260.33,260.1058246,,74.8,234,0,0,4,9,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, 2-ETHYLHEXYL ESTER, POTASSIUM SALT",068550-93-6,163244,dipotassium;2-ethylhexan-1-ol;hydrogen phosphate,CCCCC(CC)CO.OP(=O)([O-])[O-].[K+].[K+],"InChI=1S/C8H18O.2K.H3O4P/c1-3-5-6-8(4-2)7-9;;;1-5(2,3)4/h8-9H,3-7H2,1-2H3;;;(H3,1,2,3,4)/q;2*+1;/p-2",IUKUJISVDXLAOP-UHFFFAOYSA-L,C8H19K2O5P,304.4,304.0244237,,104,99,0,2,5,5,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, ISOOCTYL ESTER, POTASSIUM SALT",068647-19-8,162223,dipotassium;6-methylheptyl phosphate,CC(C)CCCCCOP(=O)([O-])[O-].[K+].[K+],"InChI=1S/C8H19O4P.2K/c1-8(2)6-4-3-5-7-12-13(9,10)11;;/h8H,3-7H2,1-2H3,(H2,9,10,11);;/q;2*+1/p-2",MOJYYOPFOKMPCJ-UHFFFAOYSA-L,C8H17K2O4P,286.39,286.013859,,72.4,152,0,0,4,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANOL, 2-(2-BUTOXYETHOXY)-, PHOSPHATE, POTASSIUM SALT",068647-25-6,173027,dipotassium;2-(2-butoxyethoxy)ethyl phosphate,CCCCOCCOCCOP(=O)([O-])[O-].[K+].[K+],"InChI=1S/C8H19O6P.2K/c1-2-3-4-12-5-6-13-7-8-14-15(9,10)11;;/h2-8H2,1H3,(H2,9,10,11);;/q;2*+1/p-2",UENYZBITOUAIDL-UHFFFAOYSA-L,C8H17K2O6P,318.39,318.0036882,,90.9,168,0,0,6,9,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-ASPARTIC ACID, N-(3-CARBOXY-1-OXO-2-PROPENYL)-N-OCTADECYL-, BIS(2-METHYLPROP",068906-34-3,20838922,"(Z)-4-[[(2S)-1,4-bis(2-methylpropoxy)-1,4-dioxobutan-2-yl]-octadecylamino]-4-oxobut-2-enoic acid",CCCCCCCCCCCCCCCCCCN([C@@H](CC(=O)OCC(C)C)C(=O)OCC(C)C)C(=O)/C=C\C(=O)O,"InChI=1S/C34H61NO7/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-35(31(36)22-23-32(37)38)30(34(40)42-27-29(4)5)25-33(39)41-26-28(2)3/h22-23,28-30H,6-21,24-27H2,1-5H3,(H,37,38)/b23-22-/t30-/m0/s1",ALFGMKAIOCZYRR-YXWORILISA-N,C34H61NO7,595.8,595.4448033,10.8,110,763,0,1,7,29,42,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"SILANE, CHLORODIMETHYLTRIACONTYL-",070851-52-4,116908,chloro-dimethyl-triacontylsilane,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[Si](C)(C)Cl,"InChI=1S/C32H67ClSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34(2,3)33/h4-32H2,1-3H3",QAADEYIJKBTPIG-UHFFFAOYSA-N,C32H67ClSi,515.4,514.4700564,,0,368,0,0,0,29,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"GLYCINE, N-METHYL-N-(1-OXO-9-OCTADECENYL)-, AMMONIUM SALT",071832-73-0,172910,azanium 2-[methyl(octadec-9-enoyl)amino]acetate,CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)[O-].[NH4+],"InChI=1S/C21H39NO3.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);1H3",FMOIBNDLQJNUQC-UHFFFAOYSA-N,C21H42N2O3,370.6,370.3195432,,61.4,361,0,1,3,16,26,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
ISOPROPOXY BIS(ACETYLACETONATE)TITANIUM,017927-72-9,5489021,bis((Z)-4-oxopent-2-en-2-olate);bis(propan-2-olate);titanium(4+),CC([O-])C.CC([O-])C.C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Ti+4],"InChI=1S/2C5H8O2.2C3H7O.Ti/c2*1-4(6)3-5(2)7;2*1-3(2)4;/h2*3,6H,1-2H3;2*3H,1-2H3;/q;;2*-1;+4/p-2/b2*4-3-;;;",OVSGBKZKXUMMHS-VGKOASNMSA-L,C16H28O6Ti,364.26,364.1365293,,126,101,0,0,6,2,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ANTIWEAR AGENTS (O,O-BIS(1,3-DIMETHYLBUTYL)DITHIOPHOSPHATE ZINC SALT)",002215-35-2,92171,zinc bis(bis(4-methylpentan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane),CC(C)CC(C)OP(=S)(OC(C)CC(C)C)[S-].CC(C)CC(C)OP(=S)(OC(C)CC(C)C)[S-].[Zn+2],"InChI=1S/2C12H27O2PS2.Zn/c2*1-9(2)7-11(5)13-15(16,17)14-12(6)8-10(3)4;/h2*9-12H,7-8H2,1-6H3,(H,16,17);/q;;+2/p-2",SVGYUUVJEMDZDP-UHFFFAOYSA-L,C24H52O4P2S4Zn,660.3,658.151511,,103,227,0,0,8,16,35,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
TITANIUM ISOBUTOXIDE,000681-98-1,69626,tetrakis(2-methylpropyl) silicate,CC(C)CO[Si](OCC(C)C)(OCC(C)C)OCC(C)C,"InChI=1S/C16H36O4Si/c1-13(2)9-17-21(18-10-14(3)4,19-11-15(5)6)20-12-16(7)8/h13-16H,9-12H2,1-8H3",QKCMIPQMYBKEPP-UHFFFAOYSA-N,C16H36O4Si,320.54,320.2382862,,36.9,201,0,0,4,12,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NONANOYL-N-METHYLGLUCAMIDE,085261-19-4,160090,"N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide",CCCCCCCCC(=O)N(C)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,"InChI=1S/C16H33NO6/c1-3-4-5-6-7-8-9-14(21)17(2)10-12(19)15(22)16(23)13(20)11-18/h12-13,15-16,18-20,22-23H,3-11H2,1-2H3/t12-,13+,15+,16+/m0/s1",GCRLIVCNZWDCDE-SJXGUFTOSA-N,C16H33NO6,335.44,335.2307878,0.1,121,315,0,5,6,13,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORODITHIOIC ACID, O-(6-METHYLHEPTYL) O-(1-METHYLPROPYL) ESTER, ZINC SALT",093819-94-4,22833382,zinc bis(butan-2-yloxy-(6-methylheptoxy)-sulfanylidene-sulfido-lambda5-phosphane),CCC(C)OP(=S)(OCCCCCC(C)C)[S-].CCC(C)OP(=S)(OCCCCCC(C)C)[S-].[Zn+2],"InChI=1S/2C12H27O2PS2.Zn/c2*1-5-12(4)14-15(16,17)13-10-8-6-7-9-11(2)3;/h2*11-12H,5-10H2,1-4H3,(H,16,17);/q;;+2/p-2",JFNOTEFMYXBUBK-UHFFFAOYSA-L,C24H52O4P2S4Zn,660.3,658.151511,,103,226,0,0,8,20,35,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-ETHYLHEXANOIC ACID, COMPOUND WITH 2,2',2''-NITRILOTRIETHANOL (1:1)",038584-87-1,162314,2-[bis(2-hydroxyethyl)amino]ethanol;2-ethylhexanoic acid,CCCCC(CC)C(=O)O.C(CO)N(CCO)CCO,"InChI=1S/C8H16O2.C6H15NO3/c1-3-5-6-7(4-2)8(9)10;8-4-1-7(2-5-9)3-6-10/h7H,3-6H2,1-2H3,(H,9,10);8-10H,1-6H2",WOIZEJSXFHDUNX-UHFFFAOYSA-N,C14H31NO5,293.4,293.2202231,,101,155,0,4,6,11,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
"SILICIC ACID, METHYL ESTER",012002-26-5,13955548,hydroxy-methoxy-oxosilane,CO[Si](=O)O,"InChI=1S/CH4O3Si/c1-4-5(2)3/h2H,1H3",LZCGXIDLIBLGTF-UHFFFAOYSA-N,CH4O3Si,92.13,91.99297052,,46.5,42,0,1,3,1,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ZINC DIALKYLDITHIOPHOSPHATE,,129819290,hexoxy-hexylsulfanyl-oxido-sulfanylidene-lambda5-phosphane;zinc,CCCCCCOP(=S)([O-])SCCCCCC.[Zn],"InChI=1S/C12H27O2PS2.Zn/c1-3-5-7-9-11-14-15(13,16)17-12-10-8-6-4-2;/h3-12H2,1-2H3,(H,13,16);/p-1",YDLFWTTZFKNBIX-UHFFFAOYSA-M,C12H26O2PS2Zn-,362.8,361.040326,,89.7,213,-1,0,4,12,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ETHYLENE GLYCOL DIACETATE,000111-55-7,8121,2-acetyloxyethyl acetate,CC(=O)OCCOC(=O)C,"InChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3",JTXMVXSTHSMVQF-UHFFFAOYSA-N,C6H10O4,146.14,146.0579088,0,52.6,114,0,0,4,5,10,"205 °F (NTP, 1992)","367 to 369 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYLAMINE HYDROCHLORIDE,000557-66-4,11198,ethanamine;hydrochloride,CCN.Cl,"InChI=1S/C2H7N.ClH/c1-2-3;/h2-3H2,1H3;1H",XWBDWHCCBGMXKG-UHFFFAOYSA-N,C2H8ClN,81.54,81.034527,,26,2,0,2,1,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"AMMONIUM CITRATE, DIBASIC",003012-65-5,18171,diazanium;3-carboxy-3-hydroxypentanedioate,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)O)O.[NH4+].[NH4+],"InChI=1S/C6H8O7.2H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H3",YXVFQADLFFNVDS-UHFFFAOYSA-N,C6H14N2O7,226.18,226.0801008,,140,216,0,4,7,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM ACETATE,000127-08-2,517044,potassium acetate,CC(=O)[O-].[K+],"InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",SCVFZCLFOSHCOH-UHFFFAOYSA-M,C2H3KO2,98.14,97.97701082,,40.1,34,0,0,2,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SODIUM AMMONIUM PHOSPHATE, TETRAHYDRATE",051750-73-3,56924540,azanium;sodium;hydrogen phosphate;tetrahydrate,[NH4+].O.O.O.O.OP(=O)([O-])[O-].[Na+],"InChI=1S/H3N.Na.H3O4P.4H2O/c;;1-5(2,3)4;;;;/h1H3;;(H3,1,2,3,4);4*1H2/q;+1;;;;;/p-1",IQTQISLCLWJRPM-UHFFFAOYSA-M,H13NNaO8P,209.07,209.0276477,,88.4,46,0,6,8,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ZIRCONIUM (IV) HYDROXIDE,014475-63-9,84465,zirconium(4+) tetrahydroxide,[OH-].[OH-].[OH-].[OH-].[Zr+4],InChI=1S/4H2O.Zr/h4*1H2;/q;;;;+4/p-4,HAIMOVORXAUUQK-UHFFFAOYSA-J,H4O4Zr,159.25,157.915657,,4,0,0,4,4,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DECANOIC ACID,000334-48-5,2969,decanoic acid,CCCCCCCCCC(=O)O,"InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)",GHVNFZFCNZKVNT-UHFFFAOYSA-N,C10H20O2,172.26,172.1463299,4.1,37.3,110,0,1,2,8,12,"235 °F (NTP, 1992)","514 to 518 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
L-MALIC ACID,000097-67-6,222656,(2S)-2-hydroxybutanedioic acid,C([C@@H](C(=O)O)O)C(=O)O,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1",BJEPYKJPYRNKOW-REOHCLBHSA-N,C4H6O5,134.09,134.0215233,-1.3,94.8,129,0,3,5,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
OLEIC ACID,000112-80-1,445639,(Z)-octadec-9-enoic acid,CCCCCCCC/C=C\CCCCCCCC(=O)O,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",ZQPPMHVWECSIRJ-KTKRTIGZSA-N,C18H34O2,282.5,282.2558803,6.5,37.3,234,0,1,2,15,20,"372 °F (NTP, 1992)","547 °F at 100 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PALMITIC ACID,000057-10-3,985,hexadecanoic acid,CCCCCCCCCCCCCCCC(=O)O,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",IPCSVZSSVZVIGE-UHFFFAOYSA-N,C16H32O2,256.42,256.2402303,6.4,37.3,178,0,1,2,14,18,,351.5 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
UNDECYLENIC ACID,000112-38-9,5634,undec-10-enoic acid,C=CCCCCCCCCC(=O)O,"InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)",FRPZMMHWLSIFAZ-UHFFFAOYSA-N,C11H20O2,184.27,184.1463299,3.9,37.3,141,0,1,2,9,13,,Decomposes at 275°C,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
TRIS(HYDROXYMETHYL)AMINOMETHANE,000077-86-1,6503,"2-amino-2-(hydroxymethyl)propane-1,3-diol",C(C(CO)(CO)N)O,"InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2",LENZDBCJOHFCAS-UHFFFAOYSA-N,C4H11NO3,121.14,121.0738932,-2.9,86.7,54,0,4,4,3,8,,219-220 °C at 10 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-UNDECYL ALCOHOL,000112-42-5,8184,undecan-1-ol,CCCCCCCCCCCO,"InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3",KJIOQYGWTQBHNH-UHFFFAOYSA-N,C11H24O,172.31,172.1827154,4.6,20.2,71,0,1,1,9,12,"200 °F (USCG, 1999)","473 °F at 760 mmHg (USCG, 1999)",1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
L-(+)-ARGININE MONOHYDROCHLORIDE,001119-34-2,66250,(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride,C(C[C@@H](C(=O)O)N)CN=C(N)N.Cl,"InChI=1S/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H/t4-;/m0./s1",KWTQSFXGGICVPE-WCCKRBBISA-N,C6H15ClN4O2,210.66,210.0883534,,128,176,0,5,4,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-BROMOTETRADECANE,000112-71-0,8208,1-bromotetradecane,CCCCCCCCCCCCCCBr,"InChI=1S/C14H29Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3",KOFZTCSTGIWCQG-UHFFFAOYSA-N,C14H29Br,277.28,276.14526,8.1,0,102,0,0,0,12,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SODIUM PHOSPHATE, MONOBASIC, MONOHYDRATE",010049-21-5,516949,sodium;dihydrogen phosphate;hydrate,O.OP(=O)(O)[O-].[Na+],"InChI=1S/Na.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2/q+1;;/p-1",BBMHARZCALWXSL-UHFFFAOYSA-M,H4NaO5P,137.99,137.9694045,,81.6,61,0,3,5,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FERBAM,014484-64-1,26710,"tris(N,N-dimethylcarbamodithioate);iron(3+)",CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Fe+3],"InChI=1S/3C3H7NS2.Fe/c3*1-4(2)3(5)6;/h3*1-2H3,(H,5,6);/q;;;+3/p-3",WHDGWKAJBYRJJL-UHFFFAOYSA-K,C9H18FeN3S6,416.5,415.917435,,109,54,0,0,6,0,19,,"Decomposes (NIOSH, 2024)",1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"SODIUM PYROPHOSPHATE, DECAHYDRATE",013472-36-1,3084150,tetrasodium;phosphonato phosphate;decahydrate,O.O.O.O.O.O.O.O.O.O.[O-]P(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+],"InChI=1S/4Na.H4O7P2.10H2O/c;;;;1-8(2,3)7-9(4,5)6;;;;;;;;;;/h;;;;(H2,1,2,3)(H2,4,5,6);10*1H2/q4*+1;;;;;;;;;;;/p-4",VZWGHDYJGOMEKT-UHFFFAOYSA-J,H20Na4O17P2,446.06,445.9766503,,146,124,0,10,17,0,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BROMODECANE,000112-29-8,8173,1-bromodecane,CCCCCCCCCCBr,"InChI=1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3",MYMSJFSOOQERIO-UHFFFAOYSA-N,C10H21Br,221.18,220.08266,6,0,61,0,0,0,8,11,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
1-CHLOROOCTADECANE,003386-33-2,18815,1-chlorooctadecane,CCCCCCCCCCCCCCCCCCCl,"InChI=1S/C18H37Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3",VUQPJRPDRDVQMN-UHFFFAOYSA-N,C18H37Cl,288.9,288.2583789,10.1,0,145,0,0,0,16,19,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
12-HYDROXYSTEARIC ACID,000106-14-9,7789,12-hydroxyoctadecanoic acid,CCCCCCC(CCCCCCCCCCC(=O)O)O,"InChI=1S/C18H36O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)",ULQISTXYYBZJSJ-UHFFFAOYSA-N,C18H36O3,300.5,300.266445,6.5,57.5,229,0,2,3,16,21,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ALDEHYDE AMMONIA,000075-39-8,522583,1-aminoethanol,CC(N)O,"InChI=1S/C2H7NO/c1-2(3)4/h2,4H,3H2,1H3",UJPKMTDFFUTLGM-UHFFFAOYSA-N,C2H7NO,61.08,61.05276385,-0.9,46.3,15,0,2,2,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CALCIUM FLUORIDE,007789-75-5,84512,calcium difluoride,[F-].[F-].[Ca+2],InChI=1S/Ca.2FH/h;2*1H/q+2;;/p-2,WUKWITHWXAAZEY-UHFFFAOYSA-L,CaF2,78.07,77.9593972,,0,0,0,0,2,0,3,,2500 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ERUCYL AMIDE,000112-84-5,5365371,(Z)-docos-13-enamide,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)N,"InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-",UAUDZVJPLUQNMU-KTKRTIGZSA-N,C22H43NO,337.6,337.334465,8.8,43.1,286,0,1,1,19,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GADOLINIUM TRICHLORIDE,010138-52-0,61486,trichlorogadolinium,Cl[Gd](Cl)Cl,InChI=1S/3ClH.Gd/h3*1H;/q;;;+3/p-3,MEANOSLIBWSCIT-UHFFFAOYSA-K,Cl3Gd,263.6,262.83067,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
LANTHANUM OXIDE,001312-81-8,150906,bis(lanthanum(3+));tris(oxygen(2-)),[O-2].[O-2].[O-2].[La+3].[La+3],InChI=1S/2La.3O/q2*+3;3*-2,MRELNEQAGSRDBK-UHFFFAOYSA-N,La2O3,325.809,325.79747,,3,0,0,0,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MAGNESIUM FLUORIDE,007783-40-6,24546,magnesium difluoride,[F-].[F-].[Mg+2],InChI=1S/2FH.Mg/h2*1H;/q;;+2/p-2,ORUIBWPALBXDOA-UHFFFAOYSA-L,F2Mg,62.302,61.981848,,0,2,0,0,2,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL PALMITATE,000112-39-0,8181,methyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC,"InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3",FLIACVVOZYBSBS-UHFFFAOYSA-N,C17H34O2,270.5,270.2558803,7.9,26.3,190,0,0,2,15,19,,417 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
MUCIC ACID,000526-99-8,3037582,"(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid",[C@@H]([C@@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)O)O)O,"InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-",DSLZVSRJTYRBFB-DUHBMQHGSA-N,C6H10O8,210.14,210.0375673,-2.5,156,202,0,6,8,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SILICON MONOXIDE (SOLID MATERIAL, I.E.: GRANULES, CHUNKS, PIECES, ETC.)",010097-28-6,66241,oxosilicon,O=[Si],InChI=1S/OSi/c1-2,LIVNPJMFVYWSIS-UHFFFAOYSA-N,OSi,44.084,43.97184115,,17.1,2,0,0,1,0,2,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SILVER ACETATE,000563-63-3,11246,silver acetate,CC(=O)[O-].[Ag+],"InChI=1S/C2H4O2.Ag/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",CQLFBEKRDQMJLZ-UHFFFAOYSA-M,C2H3AgO2,166.91,165.9184,,40.1,25,0,0,2,0,5,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SILVER DIETHYLDITHIOCARBAMATE,001470-61-7,3034078,"silver N,N-diethylcarbamodithioate",CCN(CC)C(=S)[S-].[Ag+],"InChI=1S/C5H11NS2.Ag/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);/q;+1/p-1",NSVHDIYWJVLAGH-UHFFFAOYSA-M,C5H10AgNS2,256.1,254.93056,,36.3,73,0,0,2,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM SUCCINATE,000150-90-3,9020,disodium;butanedioate,C(CC(=O)[O-])C(=O)[O-].[Na+].[Na+],"InChI=1S/C4H6O4.2Na/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;/q;2*+1/p-2",ZDQYSKICYIVCPN-UHFFFAOYSA-L,C4H4Na2O4,162.05,161.9904972,,80.3,81,0,0,4,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SORBIC ACID,000110-44-1,643460,"(2E,4E)-hexa-2,4-dienoic acid",C/C=C/C=C/C(=O)O,"InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+",WSWCOQWTEOXDQX-MQQKCMAXSA-N,C6H8O2,112.13,112.0524295,1.3,37.3,122,0,1,2,2,8,"260 °F (NTP, 1992)","442 °F at 760 mmHg (decomposes) (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TAURINE,000107-35-7,1123,2-aminoethanesulfonic acid,C(CS(=O)(=O)O)N,"InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)",XOAAWQZATWQOTB-UHFFFAOYSA-N,C2H7NO3S,125.15,125.0146643,-4.1,88.8,120,0,2,4,2,7,,It decomposes before reaching boiling point (325ºC),0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
THULIUM OXIDE,012036-44-1,159411,tris(oxygen(2-));bis(thulium(3+)),[O-2].[O-2].[O-2].[Tm+3].[Tm+3],InChI=1S/3O.2Tm/q3*-2;2*+3,ZIKATJAYWZUJPY-UHFFFAOYSA-N,O3Tm2,385.867,385.85318,,3,0,0,0,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TITANIUM NITRATE,013860-02-1,9948104,titanium(4+) tetranitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Ti+4],InChI=1S/4NO3.Ti/c4*2-1(3)4;/q4*-1;+4,QDZRBIRIPNZRSG-UHFFFAOYSA-N,N4O12Ti,295.89,295.8992121,,252,18,0,0,12,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIOCTYL PHOSPHATE,000078-42-2,6537,tris(2-ethylhexyl) phosphate,CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC,"InChI=1S/C24H51O4P/c1-7-13-16-22(10-4)19-26-29(25,27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3",GTVWRXDRKAHEAD-UHFFFAOYSA-N,C24H51O4P,434.6,434.3524971,8.9,44.8,345,0,0,4,21,29,"305 °F (NTP, 1992)","374 to 451 °F at 760 mmHg (decomposes) (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
YTTERBIUM OXIDE,001314-37-0,159375,tris(oxygen(2-));bis(ytterbium(3+)),[O-2].[O-2].[O-2].[Yb+3].[Yb+3],InChI=1S/3O.2Yb/q3*-2;2*+3,UZLYXNNZYFBAQO-UHFFFAOYSA-N,O3Yb2,394.1,393.8599981,,3,0,0,0,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
EUROPIUM OXIDE,001308-96-9,159371,bis(europium(3+));tris(oxygen(2-)),[O-2].[O-2].[O-2].[Eu+3].[Eu+3],InChI=1S/2Eu.3O/q2*+3;3*-2,AEBZCFFCDTZXHP-UHFFFAOYSA-N,Eu2O3,351.93,351.82584,,3,0,0,0,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-METHYLTRIMETHYLENE ESTER OF METHACRYLIC ACID,001189-08-8,70916,3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate,CC(CCOC(=O)C(=C)C)OC(=O)C(=C)C,"InChI=1S/C12H18O4/c1-8(2)11(13)15-7-6-10(5)16-12(14)9(3)4/h10H,1,3,6-7H2,2,4-5H3",VDYWHVQKENANGY-UHFFFAOYSA-N,C12H18O4,226.27,226.1205091,2.7,52.6,304,0,0,4,8,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
ALUMINUM HYDROXIDE,021645-51-2,10176082,aluminum trihydroxide,[OH-].[OH-].[OH-].[Al+3],InChI=1S/Al.3H2O/h;3*1H2/q+3;;;/p-3,WNROFYMDJYEPJX-UHFFFAOYSA-K,AlH3O3,78.004,77.9897574,,3,0,0,3,3,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MOLYBDENUM TRICHLORIDE,013478-18-7,83515,trichloromolybdenum,Cl[Mo](Cl)Cl,InChI=1S/3ClH.Mo/h3*1H;/q;;;+3/p-3,ZSSVQAGPXAAOPV-UHFFFAOYSA-K,Cl3Mo,202.3,202.811962,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6,10,14-TETRAMETHYLPENTADECANE",001921-70-6,15979,"2,6,10,14-tetramethylpentadecane",CC(C)CCCC(C)CCCC(C)CCCC(C)C,"InChI=1S/C19H40/c1-16(2)10-7-12-18(5)14-9-15-19(6)13-8-11-17(3)4/h16-19H,7-15H2,1-6H3",XOJVVFBFDXDTEG-UHFFFAOYSA-N,C19H40,268.5,268.3130013,9.3,0,160,0,0,0,12,19,>110 °C (>230 °F) - closed cup,296 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ETHYLENE CYANOHYDRIN,000109-78-4,8011,3-hydroxypropanenitrile,C(CO)C#N,"InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2",WSGYTJNNHPZFKR-UHFFFAOYSA-N,C3H5NO,71.08,71.03711378,-0.9,44,51,0,1,2,1,5,"greater than 265 °F (NTP, 1992)","442 °F at 760 mmHg (slight decomposition) (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DODECANEDIOIC ACID,000693-23-2,12736,dodecanedioic acid,C(CCCCCC(=O)O)CCCCC(=O)O,"InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)",TVIDDXQYHWJXFK-UHFFFAOYSA-N,C12H22O4,230.3,230.1518092,3.2,74.6,179,0,2,4,11,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-IODOHEPTANE,004282-40-0,20274,1-iodoheptane,CCCCCCCI,"InChI=1S/C7H15I/c1-2-3-4-5-6-7-8/h2-7H2,1H3",LMHCYRULPLGEEZ-UHFFFAOYSA-N,C7H15I,226.1,226.02185,4.7,0,35,0,0,0,5,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL HEPTYL KETONE,000821-55-6,13187,nonan-2-one,CCCCCCCC(=O)C,"InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3",VKCYHJWLYTUGCC-UHFFFAOYSA-N,C9H18O,142.24,142.1357652,3.1,17.1,86,0,0,1,6,10,"148 °F (USCG, 1999)","377.6 °F at 743 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ETHYLENE GLYCOL BIS(2-AMINOETHYL ETHER) TETRAACETIC ACID,000067-42-5,6207,2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid,C(COCCOCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O,"InChI=1S/C14H24N2O10/c17-11(18)7-15(8-12(19)20)1-3-25-5-6-26-4-2-16(9-13(21)22)10-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)",DEFVIWRASFVYLL-UHFFFAOYSA-N,C14H24N2O10,380.35,380.143095,-6.2,174,397,0,4,12,17,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CALCIUM ACETATE ANHYDROUS,000062-54-4,6116,calcium diacetate,CC(=O)[O-].CC(=O)[O-].[Ca+2],"InChI=1S/2C2H4O2.Ca/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",VSGNNIFQASZAOI-UHFFFAOYSA-L,C4H6CaO4,158.17,157.9891995,,80.3,25,0,0,4,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,4-PENTANEDIOL",000625-69-4,12262,"pentane-2,4-diol",CC(CC(C)O)O,"InChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3",GTCCGKPBSJZVRZ-UHFFFAOYSA-N,C5H12O2,104.15,104.0837296,0.1,40.5,39,0,2,2,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"AMMONIUM PHOSPHATE, DIBASIC",007783-28-0,24540,diazanium;hydrogen phosphate,[NH4+].[NH4+].OP(=O)([O-])[O-],"InChI=1S/2H3N.H3O4P/c;;1-5(2,3)4/h2*1H3;(H3,1,2,3,4)",MNNHAPBLZZVQHP-UHFFFAOYSA-N,H9N2O4P,132.06,132.0299938,,85.4,46,0,3,4,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIZMA HYDROCHLORIDE,001185-53-1,93573,"2-amino-2-(hydroxymethyl)propane-1,3-diol;hydrochloride",C(C(CO)(CO)N)O.Cl,"InChI=1S/C4H11NO3.ClH/c5-4(1-6,2-7)3-8;/h6-8H,1-3,5H2;1H",QKNYBSVHEMOAJP-UHFFFAOYSA-N,C4H12ClNO3,157.59,157.0505709,,86.7,54,0,5,4,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIHYDROXY-2-PROPANONE",000096-26-4,670,"1,3-dihydroxypropan-2-one",C(C(=O)CO)O,"InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2",RXKJFZQQPQGTFL-UHFFFAOYSA-N,C3H6O3,90.08,90.03169405,-1.4,57.5,44,0,2,3,2,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHYL ALLYLMALONATE,002049-80-1,74900,diethyl 2-prop-2-enylpropanedioate,CCOC(=O)C(CC=C)C(=O)OCC,"InChI=1S/C10H16O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h4,8H,1,5-7H2,2-3H3",GDWAYKGILJJNBB-UHFFFAOYSA-N,C10H16O4,200.23,200.104859,1.9,52.6,192,0,0,4,8,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIMETHYL SULFOXIDE-D6,002206-27-1,75151,trideuterio(trideuteriomethylsulfinyl)methane,[2H]C([2H])([2H])S(=O)C([2H])([2H])[2H],"InChI=1S/C2H6OS/c1-4(2)3/h1-2H3/i1D3,2D3",IAZDPXIOMUYVGZ-WFGJKAKNSA-N,C2H6OS,84.17,84.05159646,-0.6,36.3,29,0,0,2,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PENTADECANOIC ACID,001002-84-2,13849,pentadecanoic acid,CCCCCCCCCCCCCCC(=O)O,"InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)",WQEPLUUGTLDZJY-UHFFFAOYSA-N,C15H30O2,242.4,242.2245802,5.8,37.3,166,0,1,2,13,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-UNDECANAL,000112-44-7,8186,undecanal,CCCCCCCCCCC=O,"InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3",KMPQYAYAQWNLME-UHFFFAOYSA-N,C11H22O,170.29,170.1670653,4.3,17.1,89,0,0,1,9,12,,109.00 to 115.00 °C. @ 5.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
1-DODECANAL,000112-54-9,8194,dodecanal,CCCCCCCCCCCC=O,"InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3",HFJRKMMYBMWEAD-UHFFFAOYSA-N,C12H24O,184.32,184.1827154,4.9,17.1,99,0,0,1,10,13,,185.00 °C. @ 100.00 mm Hg,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
DYSPROSIUM FLUORIDE,013569-80-7,83587,trifluorodysprosium,F[Dy](F)F,InChI=1S/Dy.3FH/h;3*1H/q+3;;;/p-3,FWQVINSGEXZQHB-UHFFFAOYSA-K,DyF3,219.495,220.92439,,0,8,0,0,3,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GADOLINIUM FLUORIDE,013765-26-9,83716,trifluorogadolinium,F[Gd](F)F,InChI=1S/3FH.Gd/h3*1H;/q;;;+3/p-3,TYIZUJNEZNBXRS-UHFFFAOYSA-K,F3Gd,214.24,214.91932,,0,8,0,0,3,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LITHIUM ZIRCONIUM OXIDE,012031-83-3,6093659,dilithium;dioxido(oxo)zirconium,[Li+].[Li+].[O-][Zr](=O)[O-],InChI=1S/2Li.3O.Zr/q2*+1;;2*-1;,PSKLXRHTVCSWPJ-UHFFFAOYSA-N,Li2O3Zr,153.2,151.921449,,63.2,18,0,0,3,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYL 5-BROMOVALERATE,014660-52-7,84580,ethyl 5-bromopentanoate,CCOC(=O)CCCCBr,"InChI=1S/C7H13BrO2/c1-2-10-7(9)5-3-4-6-8/h2-6H2,1H3",AFRWBGJRWRHQOV-UHFFFAOYSA-N,C7H13BrO2,209.08,208.00989,1.9,26.3,93,0,0,2,6,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYL 4-BROMOBUTYRATE,002969-81-5,76300,ethyl 4-bromobutanoate,CCOC(=O)CCCBr,"InChI=1S/C6H11BrO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3",XBPOBCXHALHJFP-UHFFFAOYSA-N,C6H11BrO2,195.05,193.99424,1.5,26.3,83,0,0,2,5,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRACOSANOIC ACID,000557-59-5,11197,tetracosanoic acid,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O,"InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)",QZZGJDVWLFXDLK-UHFFFAOYSA-N,C24H48O2,368.6,368.3654308,10.7,37.3,275,0,1,2,22,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CREATINE, MONOHYDRATE",006020-87-7,80116,2-[carbamimidoyl(methyl)amino]acetic acid;hydrate,CN(CC(=O)O)C(=N)N.O,"InChI=1S/C4H9N3O2.H2O/c1-7(4(5)6)2-3(8)9;/h2H2,1H3,(H3,5,6)(H,8,9);1H2",MEJYXFHCRXAUIL-UHFFFAOYSA-N,C4H11N3O3,149.15,149.0800412,,91.4,134,0,4,4,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-AMINOPROPYLPHOSPHONIC ACID,013138-33-5,97587,3-aminopropylphosphonic acid,C(CN)CP(=O)(O)O,"InChI=1S/C3H10NO3P/c4-2-1-3-8(5,6)7/h1-4H2,(H2,5,6,7)",GSZQTIFGANBTNF-UHFFFAOYSA-N,C3H10NO3P,139.09,139.0398302,-4.5,83.6,98,0,3,4,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FERRIC SODIUM EDTA,015708-41-5,27461,sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(3+),C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Fe+3],"InChI=1S/C10H16N2O8.Fe.Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;+3;+1/p-4",MKWYFZFMAMBPQK-UHFFFAOYSA-J,C10H12FeN2NaO8,367.05,366.98407,,167,293,0,0,10,7,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BUTYLBORONIC ACID,004426-47-5,20479,butylboronic acid,B(CCCC)(O)O,"InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3",QPKFVRWIISEVCW-UHFFFAOYSA-N,C4H11BO2,101.94,102.0852098,,40.5,38,0,2,2,3,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEXYL SULFIDE,006294-31-1,80517,1-hexylsulfanylhexane,CCCCCCSCCCCCC,"InChI=1S/C12H26S/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3",LHNRHYOMDUJLLM-UHFFFAOYSA-N,C12H26S,202.4,202.175522,5.5,25.3,71,0,0,1,10,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BISMUTH CHLORIDE,007787-60-2,24591,trichlorobismuthane,Cl[Bi](Cl)Cl,InChI=1S/Bi.3ClH/h;3*1H/q+3;;;/p-3,JHXKRIRFYBPWGE-UHFFFAOYSA-K,BiCl3,315.33,313.88696,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
(S)-2-OCTANOL,006169-06-8,2723888,(2S)-octan-2-ol,CCCCCC[C@H](C)O,"InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3/t8-/m0/s1",SJWFXCIHNDVPSH-QMMMGPOBSA-N,C8H18O,130.23,130.1357652,2.9,20.2,52,0,1,1,5,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(+/-)-BROMOSUCCINIC ACID,000923-06-8,73557,2-bromobutanedioic acid,C(C(C(=O)O)Br)C(=O)O,"InChI=1S/C4H5BrO4/c5-2(4(8)9)1-3(6)7/h2H,1H2,(H,6,7)(H,8,9)",QQWGVQWAEANRTK-UHFFFAOYSA-N,C4H5BrO4,196.98,195.93712,0.1,74.6,133,0,2,4,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OXALIC DIHYDRAZIDE,000996-98-5,13826,ethanedihydrazide,C(=O)(C(=O)NN)NN,"InChI=1S/C2H6N4O2/c3-5-1(7)2(8)6-4/h3-4H2,(H,5,7)(H,6,8)",SWRGUMCEJHQWEE-UHFFFAOYSA-N,C2H6N4O2,118.1,118.0490755,-1.1,110,96,0,4,4,0,8,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
PERFLUOROHEXANE,000355-42-0,9639,"1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane",C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,"InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20",ZJIJAJXFLBMLCK-UHFFFAOYSA-N,C6F14,338.04,337.9776443,5.1,0,319,0,0,14,3,20,,57.2 °C,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
BUTYL SULFIDE,000544-40-1,11002,1-butylsulfanylbutane,CCCCSCCCC,"InChI=1S/C8H18S/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3",HTIRHQRTDBPHNZ-UHFFFAOYSA-N,C8H18S,146.3,146.1129218,3.4,25.3,37,0,0,1,6,9,,182.00 to 189.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CARBON TETRAIODIDE,000507-25-5,10487,tetraiodomethane,C(I)(I)(I)I,"InChI=1S/CI4/c2-1(3,4)5",JOHCVVJGGSABQY-UHFFFAOYSA-N,CI4,519.628,519.6179,3.3,0,19,0,0,0,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHYL CHLOROMETHYLPHOSPHONATE,003167-63-3,76633,1-[chloromethyl(ethoxy)phosphoryl]oxyethane,CCOP(=O)(CCl)OCC,"InChI=1S/C5H12ClO3P/c1-3-8-10(7,5-6)9-4-2/h3-5H2,1-2H3",MZBIWKMCTWJLPT-UHFFFAOYSA-N,C5H12ClO3P,186.57,186.0212589,0.9,35.5,118,0,0,3,5,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TANTALUM BORIDE,012007-35-1,9815613,,[B].[B].[Ta],InChI=1S/2B.Ta,JEUVAEBWTRCMTB-UHFFFAOYSA-N,B2Ta,202.57,202.96661,,0,0,0,0,0,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM 2-BROMOETHANESULFONATE,004263-52-9,23666797,sodium 2-bromoethanesulfonate,C(CBr)S(=O)(=O)[O-].[Na+],"InChI=1S/C2H5BrO3S.Na/c3-1-2-7(4,5)6;/h1-2H2,(H,4,5,6);/q;+1/p-1",HNFOAHXBHLWKNF-UHFFFAOYSA-M,C2H4BrNaO3S,211.01,209.89622,,65.6,125,0,0,3,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-HEXANEDIOL",006920-22-5,94335,"hexane-1,2-diol",CCCCC(CO)O,"InChI=1S/C6H14O2/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3",FHKSXSQHXQEMOK-UHFFFAOYSA-N,C6H14O2,118.17,118.0993797,0.7,40.5,45,0,2,2,4,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAMETHYLPHOSPHONIUM BROMIDE,004519-28-2,357594,tetramethylphosphanium bromide,C[P+](C)(C)C.[Br-],"InChI=1S/C4H12P.BrH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1",ZTXFOCMYRCGSMU-UHFFFAOYSA-M,C4H12BrP,171.02,169.986,,0,19,0,0,1,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM HEPTANESULFONATE,022767-50-6,23672332,sodium heptane-1-sulfonate,CCCCCCCS(=O)(=O)[O-].[Na+],"InChI=1S/C7H16O3S.Na/c1-2-3-4-5-6-7-11(8,9)10;/h2-7H2,1H3,(H,8,9,10);/q;+1/p-1",REFMEZARFCPESH-UHFFFAOYSA-M,C7H15NaO3S,202.25,202.0639598,,65.6,172,0,0,3,6,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-NORVALINE,006600-40-4,65098,(2S)-2-aminopentanoic acid,CCC[C@@H](C(=O)O)N,"InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",SNDPXSYFESPGGJ-BYPYZUCNSA-N,C5H11NO2,117.15,117.0789786,-2.1,63.3,82,0,2,3,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHYLENE GLYCOL DIMETHACRYLATE,002358-84-1,16891,2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCOCCOC(=O)C(=C)C,"InChI=1S/C12H18O5/c1-9(2)11(13)16-7-5-15-6-8-17-12(14)10(3)4/h1,3,5-8H2,2,4H3",XFCMNSHQOZQILR-UHFFFAOYSA-N,C12H18O5,242.27,242.1154237,1.8,61.8,276,0,0,5,10,17,,120-125 °C at 0.27 kPa,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
DIMETHYLDIOCTADECYLAMMONIUM BROMIDE,003700-67-2,77293,dimethyl(dioctadecyl)azanium bromide,CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Br-],"InChI=1S/C38H80N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1",PSLWZOIUBRXAQW-UHFFFAOYSA-M,C38H80BrN,631,629.54741,,0,390,0,0,1,34,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-DIETHYLAMINOETHANETHIOL HYDROCHLORIDE,001942-52-5,16031,2-(diethylamino)ethanethiol;hydrochloride,CCN(CC)CCS.Cl,"InChI=1S/C6H15NS.ClH/c1-3-7(4-2)5-6-8;/h8H,3-6H2,1-2H3;1H",QAXLTZBBDSDRPW-UHFFFAOYSA-N,C6H16ClNS,169.72,169.0691984,,4.2,43,0,2,2,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IRON DISILICIDE,012022-99-0,6336880,,[Si]=[Fe]=[Si],InChI=1S/Fe.2Si,JRACIMOSEUMYIP-UHFFFAOYSA-N,FeSi2,112.02,111.888789,,0,18,0,0,0,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEXACOSANE,000630-01-3,12407,hexacosane,CCCCCCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C26H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3",HMSWAIKSFDFLKN-UHFFFAOYSA-N,C26H54,366.7,366.4225517,13.7,0,196,0,0,0,23,26,,"774 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
STEARIC ANHYDRIDE,000638-08-4,69485,octadecanoyl octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C36H70O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3",WVJVHUWVQNLPCR-UHFFFAOYSA-N,C36H70O3,550.9,550.5324961,16.7,43.4,458,0,0,3,34,39,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAHEPTYLAMMONIUM IODIDE,003535-83-9,77071,tetraheptylazanium iodide,CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.[I-],"InChI=1S/C28H60N.HI/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1",KCSOHLKZTZMKQA-UHFFFAOYSA-M,C28H60IN,537.7,537.37705,,0,237,0,0,1,24,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYL STEARATE,000111-61-5,8122,ethyl octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OCC,"InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3",MVLVMROFTAUDAG-UHFFFAOYSA-N,C20H40O2,312.5,312.3028305,8.9,26.3,226,0,0,2,18,22,,213.00 to 215.00 °C. @ 15.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
RHENIUM(V) CHLORIDE,013596-35-5,83602,pentachlororhenium,Cl[Re](Cl)(Cl)(Cl)Cl,InChI=1S/5ClH.Re/h5*1H;/q;;;;;+5/p-5,XZQYTGKSBZGQMO-UHFFFAOYSA-I,Cl5Re,363.5,363.797066,,0,37,0,0,0,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM 1-OCTANESULFONATE,005324-84-5,45052255,,CCCCCCCCS(=O)(=O)O.[Na],"InChI=1S/C8H18O3S.Na/c1-2-3-4-5-6-7-8-12(9,10)11;/h2-8H2,1H3,(H,9,10,11);",QXFHPLPMTXEJPV-UHFFFAOYSA-N,C8H18NaO3S,217.28,217.0874349,,62.8,179,0,1,3,7,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NEODYMIUM CARBONATE HYDRATE,038245-38-4,217202,bis(neodymium(3+));tricarbonate;hydrate,C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].O.[Nd+3].[Nd+3],"InChI=1S/3CH2O3.2Nd.H2O/c3*2-1(3)4;;;/h3*(H2,2,3,4);;;1H2/q;;;2*+3;/p-6",CZXBEKQIOBCHSG-UHFFFAOYSA-H,C3H2Nd2O10,486.53,483.78262,,191,18,0,1,10,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM HEXABROMOIRIDIUM(IV),019121-78-9,44145258,potassium hexabromoiridium(2-),[K+].Br[Ir-2](Br)(Br)(Br)(Br)Br,InChI=1S/6BrH.Ir.K/h6*1H;;/q;;;;;;+4;+1/p-6,VDMKTHFWLONNCP-UHFFFAOYSA-H,Br6IrK-,710.7,711.43051,,0,62,-1,0,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TES,007365-44-8,81831,"2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]ethanesulfonic acid",C(CS(=O)(=O)O)NC(CO)(CO)CO,"InChI=1S/C6H15NO6S/c8-3-6(4-9,5-10)7-1-2-14(11,12)13/h7-10H,1-5H2,(H,11,12,13)",JOCBASBOOFNAJA-UHFFFAOYSA-N,C6H15NO6S,229.25,229.0620084,-5.8,135,233,0,5,7,7,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAHEXYLAMMONIUM CHLORIDE,005922-92-9,80021,tetrahexylazanium chloride,CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[Cl-],"InChI=1S/C24H52N.ClH/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;/h5-24H2,1-4H3;1H/q+1;/p-1",ODTSDWCGLRVBHJ-UHFFFAOYSA-M,C24H52ClN,390.1,389.3788284,,0,195,0,0,1,20,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DISODIUM IMINODIACETATE MONOHYDRATE,017593-73-6,12520792,disodium;2-(carboxylatomethylamino)acetate;hydrate,C(C(=O)[O-])NCC(=O)[O-].O.[Na+].[Na+],"InChI=1S/C4H7NO4.2Na.H2O/c6-3(7)1-5-2-4(8)9;;;/h5H,1-2H2,(H,6,7)(H,8,9);;;1H2/q;2*+1;/p-2",YSBGCHXLMBAKPV-UHFFFAOYSA-L,C4H7NNa2O5,195.08,195.0119609,,93.3,96,0,2,6,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
YTTERBIUM BROMIDE,013759-89-2,83708,tribromoytterbium,Br[Yb](Br)Br,InChI=1S/3BrH.Yb/h3*1H;/q;;;+3/p-3,QNLXXQBCQYDKHD-UHFFFAOYSA-K,Br3Yb,412.76,412.69183,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TUNGSTEN SULFIDE,012138-09-9,82938,bis(sulfanylidene)tungsten,S=[W]=S,InChI=1S/2S.W,ITRNXVSDJBHYNJ-UHFFFAOYSA-N,S2W,248,247.895076,,64.2,18,0,0,2,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM THIOSULFATE,010294-66-3,61501,dipotassium;dioxido-oxo-sulfanylidene-lambda6-sulfane,[O-]S(=O)(=S)[O-].[K+].[K+],"InChI=1S/2K.H2O3S2/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",FGRVOLIFQGXPCT-UHFFFAOYSA-L,K2O3S2,190.33,189.8562992,,104,82,0,0,4,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
THULIUM TRIBROMIDE,014456-51-0,84454,thulium(3+) tribromide,[Br-].[Br-].[Br-].[Tm+3],InChI=1S/3BrH.Tm/h3*1H;/q;;;+3/p-3,HQSWGSFQSCMHFQ-UHFFFAOYSA-K,Br3Tm,408.65,407.68718,,0,0,0,0,3,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-DIIODOBUTANE",000628-21-7,12337,"1,4-diiodobutane",C(CCI)CI,InChI=1S/C4H8I2/c5-3-1-2-4-6/h1-4H2,ROUYUBHVBIKMQO-UHFFFAOYSA-N,C4H8I2,309.92,309.87155,3.6,0,17,0,0,0,3,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SILVER (1) SULFITE,013465-98-0,3084149,disilver;sulfite,[O-]S(=O)[O-].[Ag+].[Ag+],"InChI=1S/2Ag.H2O3S/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2",WYCFMBAHFPUBDS-UHFFFAOYSA-L,Ag2O3S,295.8,295.76666,,82.4,18,0,0,4,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEXADECYLTRI-N-BUTYLPHOSPHONIUM BROMIDE,014937-45-2,84716,tributyl(hexadecyl)phosphanium bromide,CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-],"InChI=1S/C28H60P.BrH/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1",RYVBINGWVJJDPU-UHFFFAOYSA-M,C28H60BrP,507.7,506.3616,,0,277,0,0,1,24,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL ACETIMIDATE HYDROCHLORIDE,014777-27-6,10313100,methyl ethanimidate;hydrochloride,CC(=N)OC.Cl,"InChI=1S/C3H7NO.ClH/c1-3(4)5-2;/h4H,1-2H3;1H",WHYJXXISOUGFLJ-UHFFFAOYSA-N,C3H8ClNO,109.55,109.0294416,,33.1,42,0,2,2,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,9-DIBROMONONANE",004549-33-1,20677,"1,9-dibromononane",C(CCCCBr)CCCCBr,InChI=1S/C9H18Br2/c10-8-6-4-2-1-3-5-7-9-11/h1-9H2,WGAXVZXBFBHLMC-UHFFFAOYSA-N,C9H18Br2,286.05,285.97548,5.3,0,56,0,0,0,8,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
YTTERBIUM TRICHLORIDE,010361-91-8,61510,trichloroytterbium,Cl[Yb](Cl)Cl,InChI=1S/3ClH.Yb/h3*1H;/q;;;+3/p-3,CKLHRQNQYIJFFX-UHFFFAOYSA-K,Cl3Yb,279.4,278.845426,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
EUROPIUM SULFATE OCTAHYDRATE,010031-55-7,25021676,bis(europium(3+));trisulfate;octahydrate,O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Eu+3].[Eu+3],"InChI=1S/2Eu.3H2O4S.8H2O/c;;3*1-5(2,3)4;;;;;;;;/h;;3*(H2,1,2,3,4);8*1H2/q2*+3;;;;;;;;;;;/p-6",PGDXJFDXKJLVTJ-UHFFFAOYSA-H,Eu2H16O20S3,736.2,735.7808,,274,62,0,8,20,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SAMARIUM TRICHLORIDE,010361-82-7,61508,trichlorosamarium,Cl[Sm](Cl)Cl,InChI=1S/3ClH.Sm/h3*1H;/q;;;+3/p-3,BHXBZLPMVFUQBQ-UHFFFAOYSA-K,Cl3Sm,256.7,256.8263,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ETHYLADIPATE,000626-86-8,12295,6-ethoxy-6-oxohexanoic acid,CCOC(=O)CCCCC(=O)O,"InChI=1S/C8H14O4/c1-2-12-8(11)6-4-3-5-7(9)10/h2-6H2,1H3,(H,9,10)",UZNLHJCCGYKCIL-UHFFFAOYSA-N,C8H14O4,174.19,174.0892089,0.6,63.6,153,0,1,4,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
8-BROMO-1-OCTENE,002695-48-9,75907,8-bromooct-1-ene,C=CCCCCCCBr,"InChI=1S/C8H15Br/c1-2-3-4-5-6-7-8-9/h2H,1,3-8H2",SNMOMUYLFLGQQS-UHFFFAOYSA-N,C8H15Br,191.11,190.03571,3.9,0,59,0,0,0,6,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIBROMOBUTANE",000107-80-2,7889,"1,3-dibromobutane",CC(CCBr)Br,"InChI=1S/C4H8Br2/c1-4(6)2-3-5/h4H,2-3H2,1H3",XZNGUVQDFJHPLU-UHFFFAOYSA-N,C4H8Br2,215.91,215.89723,2.5,0,28,0,0,0,2,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IMINODIACETIC ACID,000142-73-4,8897,2-(carboxymethylamino)acetic acid,C(C(=O)O)NCC(=O)O,"InChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)",NBZBKCUXIYYUSX-UHFFFAOYSA-N,C4H7NO4,133.1,133.0375077,-3.3,86.6,108,0,3,5,4,9,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
L-PENICILLAMINE,001113-41-3,92863,(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid,CC(C)([C@@H](C(=O)O)N)S,"InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m1/s1",VVNCNSJFMMFHPL-GSVOUGTGSA-N,C5H11NO2S,149.21,149.0510498,-1.8,64.3,124,0,3,4,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,8-DIBROMOOCTANE",004549-32-0,78310,"1,8-dibromooctane",C(CCCCBr)CCCBr,InChI=1S/C8H16Br2/c9-7-5-3-1-2-4-6-8-10/h1-8H2,DKEGCUDAFWNSSO-UHFFFAOYSA-N,C8H16Br2,272.02,271.95983,4.3,0,47,0,0,0,7,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL 5-BROMOVALERATE,005454-83-1,79557,methyl 5-bromopentanoate,COC(=O)CCCCBr,"InChI=1S/C6H11BrO2/c1-9-6(8)4-2-3-5-7/h2-5H2,1H3",RAVVJKCSZXAIQP-UHFFFAOYSA-N,C6H11BrO2,195.05,193.99424,1.9,26.3,83,0,0,2,5,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
YTTERBIUM SULFATE OCTAHYDRATE,010034-98-7,25022290,bis(ytterbium(3+));trisulfate;octahydrate,O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Yb+3].[Yb+3],"InChI=1S/3H2O4S.8H2O.2Yb/c3*1-5(2,3)4;;;;;;;;;;/h3*(H2,1,2,3,4);8*1H2;;/q;;;;;;;;;;;2*+3/p-6",MDOSIOHMOWGVIM-UHFFFAOYSA-H,H16O20S3Yb2,778.4,777.8149606,,274,62,0,8,20,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-IODODECANE,002050-77-3,16314,1-iododecane,CCCCCCCCCCI,"InChI=1S/C10H21I/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3",SKIDNYUZJPMKFC-UHFFFAOYSA-N,C10H21I,268.18,268.0688,6.3,0,61,0,0,0,8,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
BES,010191-18-1,73243,2-[bis(2-hydroxyethyl)amino]ethanesulfonic acid,C(CO)N(CCO)CCS(=O)(=O)O,"InChI=1S/C6H15NO5S/c8-4-1-7(2-5-9)3-6-13(10,11)12/h8-9H,1-6H2,(H,10,11,12)",AJTVSSFTXWNIRG-UHFFFAOYSA-N,C6H15NO5S,213.25,213.0670938,-4.5,106,204,0,3,6,7,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(+-)-3-OCTANOL,020296-29-1,11527,octan-3-ol,CCCCCC(CC)O,"InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3",NMRPBPVERJPACX-UHFFFAOYSA-N,C8H18O,130.23,130.1357652,2.8,20.2,52,0,1,1,5,9,,173.00 to 175.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"TRANS,TRANS-MUCONIC ACID",003588-17-8,5356793,"(2E,4E)-hexa-2,4-dienedioic acid",C(=C/C(=O)O)\C=C\C(=O)O,"InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+",TXXHDPDFNKHHGW-ZPUQHVIOSA-N,C6H6O4,142.11,142.0266087,0.2,74.6,168,0,2,4,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
UNDECANOIC ACID,000112-37-8,8180,undecanoic acid,CCCCCCCCCCC(=O)O,"InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)",ZDPHROOEEOARMN-UHFFFAOYSA-N,C11H22O2,186.29,186.1619799,3.7,37.3,121,0,1,2,9,13,"greater than 230 °F (USCG, 1999)","442.2 °F at 160 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIZMA MALEATE,072200-76-1,6450418,"bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(Z)-but-2-enedioic acid",C(C(CO)(CO)N)O.C(C(CO)(CO)N)O.C(=C\C(=O)O)\C(=O)O,"InChI=1S/2C4H11NO3.C4H4O4/c2*5-4(1-6,2-7)3-8;5-3(6)1-2-4(7)8/h2*6-8H,1-3,5H2;1-2H,(H,5,6)(H,7,8)/b;;2-1-",POSZUTFLHGNLHX-KSBRXOFISA-N,C12H26N2O10,358.34,358.158745,,248,173,0,10,12,8,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
FERRIC AMMONIUM CITRATE,001185-57-5,118984355,"azane;2-hydroxypropane-1,2,3-tricarboxylic acid;iron(3+)",C(C(=O)O)C(CC(=O)O)(C(=O)O)O.N.[Fe+3],"InChI=1S/C6H8O7.Fe.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H3/q;+3;",FRHBOQMZUOWXQL-UHFFFAOYSA-N,C6H11FeNO7+3,265,264.988487,,133,227,3,5,8,5,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHYLENEDIAMINETETRAACETIC ACID, TRISODIUM SALT HYDRATE",085715-60-2,16211179,trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;hydrate,C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].O.[Na+].[Na+].[Na+],"InChI=1S/C10H16N2O8.3Na.H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;1H2/q;3*+1;/p-3",KKTNQJMZBPLVKM-UHFFFAOYSA-K,C10H15N2Na3O9,376.2,376.0470629,,165,351,0,2,11,8,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DL-2,3-DIHYDROXYPROPANOIC ACID HEMICALCIUM SALT, DIHYDRATE",067525-74-0,17749233,"calcium;bis(2,3-dihydroxypropanoate);dihydrate",C(C(C(=O)[O-])O)O.C(C(C(=O)[O-])O)O.O.O.[Ca+2],"InChI=1S/2C3H6O4.Ca.2H2O/c2*4-1-2(5)3(6)7;;;/h2*2,4-5H,1H2,(H,6,7);;2*1H2/q;;+2;;/p-2",OKEVQKKVYQHNFW-UHFFFAOYSA-L,C6H14CaO10,286.25,286.0212875,,163,63,0,6,10,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SILICOTUNGSTIC ACID, HYDRATE",012027-43-9,91667950,silicic acid;dodecakis(trioxotungsten);hydrate,O.O[Si](O)(O)O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O,"InChI=1S/H4O4Si.H2O.36O.12W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-4H;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;",ACTPFSYIGLFGLY-UHFFFAOYSA-N,H6O41SiW12,2896.2,2895.22727,,696,81,0,5,41,0,54,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,1,2,2-TETRAFLUOROETHANE",000359-35-3,9667,"1,1,2,2-tetrafluoroethane",C(C(F)F)(F)F,InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H,WXGNWUVNYMJENI-UHFFFAOYSA-N,C2H2F4,102.03,102.0092627,1.9,0,26,0,0,4,1,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
NONADECANOIC ACID,000646-30-0,12591,nonadecanoic acid,CCCCCCCCCCCCCCCCCCC(=O)O,"InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)",ISYWECDDZWTKFF-UHFFFAOYSA-N,C19H38O2,298.5,298.2871805,8,37.3,214,0,1,2,17,21,,300.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,11-UNDECANEDICARBOXYLIC ACID",000505-52-2,10458,tridecanedioic acid,C(CCCCCC(=O)O)CCCCCC(=O)O,"InChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17)",DXNCZXXFRKPEPY-UHFFFAOYSA-N,C13H24O4,244.33,244.1674592,3.7,74.6,191,0,2,4,12,17,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
UNDECANEDIOIC ACID,001852-04-6,15816,undecanedioic acid,C(CCCCC(=O)O)CCCCC(=O)O,"InChI=1S/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15)",LWBHHRRTOZQPDM-UHFFFAOYSA-N,C11H20O4,216.27,216.1361591,2.7,74.6,169,0,2,4,10,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,3-DIMETHYLSUCCINIC ACID",013545-04-5,11848,"2,3-dimethylbutanedioic acid",CC(C(C)C(=O)O)C(=O)O,"InChI=1S/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)",KLZYRCVPDWTZLH-UHFFFAOYSA-N,C6H10O4,146.14,146.0579088,0.4,74.6,134,0,2,4,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIIODOPROPANE",000627-31-6,12314,"1,3-diiodopropane",C(CI)CI,InChI=1S/C3H6I2/c4-2-1-3-5/h1-3H2,AAAXMNYUNVCMCJ-UHFFFAOYSA-N,C3H6I2,295.89,295.8559,3,0,12,0,0,0,2,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEPTADECANOIC ACID,000506-12-7,10465,heptadecanoic acid,CCCCCCCCCCCCCCCCC(=O)O,"InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)",KEMQGTRYUADPNZ-UHFFFAOYSA-N,C17H34O2,270.5,270.2558803,6.9,37.3,190,0,1,2,15,19,,363.00 to 364.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PIMELIC ACID,000111-16-0,385,heptanedioic acid,C(CCC(=O)O)CCC(=O)O,"InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)",WLJVNTCWHIRURA-UHFFFAOYSA-N,C7H12O4,160.17,160.0735589,0.5,74.6,125,0,2,4,6,11,,342.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-CITRULLINE,000372-75-8,9750,(2S)-2-amino-5-(carbamoylamino)pentanoic acid,C(C[C@@H](C(=O)O)N)CNC(=O)N,"InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1",RHGKLRLOHDJJDR-BYPYZUCNSA-N,C6H13N3O3,175.19,175.0956913,-4.3,118,171,0,4,4,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-HEXADECANESULFONIC ACID, SODIUM SALT",015015-81-3,23665769,sodium hexadecane-1-sulfonate,CCCCCCCCCCCCCCCCS(=O)(=O)[O-].[Na+],"InChI=1S/C16H34O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1/p-1",PNGBYKXZVCIZRN-UHFFFAOYSA-M,C16H33NaO3S,328.5,328.2048104,,65.6,286,0,0,3,15,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
D-ISOLEUCINE,000319-78-8,76551,"(2R,3R)-2-amino-3-methylpentanoic acid",CC[C@@H](C)[C@H](C(=O)O)N,"InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m1/s1",AGPKZVBTJJNPAG-RFZPGFLSSA-N,C6H13NO2,131.17,131.0946287,-1.7,63.3,103,0,2,3,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N-ETHYLENE BISSTEARAMIDE",000110-30-5,8044,N-[2-(octadecanoylamino)ethyl]octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C38H76N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)39-35-36-40-38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,39,41)(H,40,42)",RKISUIUJZGSLEV-UHFFFAOYSA-N,C38H76N2O2,593,592.5906797,15.7,58.2,503,0,2,2,35,42,280 °C o.c.,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
D-ALANINE,000338-69-2,71080,(2R)-2-aminopropanoic acid,C[C@H](C(=O)O)N,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",QNAYBMKLOCPYGJ-UWTATZPHSA-N,C3H7NO2,89.09,89.04767847,-3,63.3,61,0,2,3,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
D-ASPARTIC ACID,001783-96-6,83887,(2R)-2-aminobutanedioic acid,C([C@H](C(=O)O)N)C(=O)O,"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1",CKLJMWTZIZZHCS-UWTATZPHSA-N,C4H7NO4,133.1,133.0375077,-2.8,101,133,0,3,5,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BROMOPROPYLAMINE HYDROBROMIDE,005003-71-4,78701,3-bromopropan-1-amine;hydrobromide,C(CN)CBr.Br,"InChI=1S/C3H8BrN.BrH/c4-2-1-3-5;/h1-3,5H2;1H",PQIYSSSTRHVOBW-UHFFFAOYSA-N,C3H9Br2N,218.92,218.90813,,26,16,0,2,1,2,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHYL ETHYLIDENEMALONATE,001462-12-0,73831,diethyl 2-ethylidenepropanedioate,CCOC(=O)C(=CC)C(=O)OCC,"InChI=1S/C9H14O4/c1-4-7(8(10)12-5-2)9(11)13-6-3/h4H,5-6H2,1-3H3",LBBAWVLUOZVYCC-UHFFFAOYSA-N,C9H14O4,186.2,186.0892089,1.9,52.6,198,0,0,4,6,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHYL METHYLMALONATE,000609-08-5,11857,diethyl 2-methylpropanedioate,CCOC(=O)C(C)C(=O)OCC,"InChI=1S/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h6H,4-5H2,1-3H3",UPQZOUHVTJNGFK-UHFFFAOYSA-N,C8H14O4,174.19,174.0892089,1.4,52.6,146,0,0,4,6,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,6-DIIODOHEXANE",000629-09-4,12373,"1,6-diiodohexane",C(CCCI)CCI,InChI=1S/C6H12I2/c7-5-3-1-2-4-6-8/h1-6H2,QLIMAARBRDAYGQ-UHFFFAOYSA-N,C6H12I2,337.97,337.90285,4.6,0,31,0,0,0,5,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,8-DIIODOOCTANE",024772-63-2,90605,"1,8-diiodooctane",C(CCCCI)CCCI,InChI=1S/C8H16I2/c9-7-5-3-1-2-4-6-8-10/h1-8H2,KZDTZHQLABJVLE-UHFFFAOYSA-N,C8H16I2,366.02,365.93415,5.7,0,47,0,0,0,7,10,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,5-DIIODOPENTANE",000628-77-3,12354,"1,5-diiodopentane",C(CCI)CCI,InChI=1S/C5H10I2/c6-4-2-1-3-5-7/h1-5H2,IAEOYUUPFYJXHN-UHFFFAOYSA-N,C5H10I2,323.94,323.8872,4.1,0,25,0,0,0,4,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DULCITOL,000608-66-2,11850,"(2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol",C([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-",FBPFZTCFMRRESA-GUCUJZIJSA-N,C6H14O6,182.17,182.0790382,-3.1,121,105,0,6,6,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-HOMOSERINE,000672-15-1,12647,(2S)-2-amino-4-hydroxybutanoic acid,C(CO)[C@@H](C(=O)O)N,"InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1",UKAUYVFTDYCKQA-VKHMYHEASA-N,C4H9NO3,119.12,119.0582431,-4.4,83.6,83,0,3,4,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(R)-(+)-3-METHYLADIPIC ACID,000623-82-5,2723701,(3R)-3-methylhexanedioic acid,C[C@H](CCC(=O)O)CC(=O)O,"InChI=1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)/t5-/m1/s1",SYEOWUNSTUDKGM-RXMQYKEDSA-N,C7H12O4,160.17,160.0735589,0.4,74.6,153,0,2,4,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
14-METHYLPENTADECANOIC ACID,004669-02-7,36247,14-methylpentadecanoic acid,CC(C)CCCCCCCCCCCCC(=O)O,"InChI=1S/C16H32O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)",ZONJATNKKGGVSU-UHFFFAOYSA-N,C16H32O2,256.42,256.2402303,6.1,37.3,188,0,1,2,13,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
D-SERINE,000312-84-5,71077,(2R)-2-amino-3-hydroxypropanoic acid,C([C@H](C(=O)O)N)O,"InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1",MTCFGRXMJLQNBG-UWTATZPHSA-N,C3H7NO3,105.09,105.0425931,-3.1,83.6,72,0,3,4,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DL-SERINE METHYL ESTER HCL,005619-04-5,517373,methyl 2-amino-3-hydroxypropanoate;hydrochloride,COC(=O)C(CO)N.Cl,"InChI=1S/C4H9NO3.ClH/c1-8-4(7)3(5)2-6;/h3,6H,2,5H2,1H3;1H",NDBQJIBNNUJNHA-UHFFFAOYSA-N,C4H10ClNO3,155.58,155.0349209,,72.6,83,0,3,4,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-SERINE METHYL ESTER HCL,005680-80-8,2723730,methyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride,COC(=O)[C@H](CO)N.Cl,"InChI=1S/C4H9NO3.ClH/c1-8-4(7)3(5)2-6;/h3,6H,2,5H2,1H3;1H/t3-;/m0./s1",NDBQJIBNNUJNHA-DFWYDOINSA-N,C4H10ClNO3,155.58,155.0349209,,72.6,83,0,3,4,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIETHYL PHOSPHONOACETATE,000867-13-0,13345,ethyl 2-diethoxyphosphorylacetate,CCOC(=O)CP(=O)(OCC)OCC,"InChI=1S/C8H17O5P/c1-4-11-8(9)7-14(10,12-5-2)13-6-3/h4-7H2,1-3H3",GGUBFICZYGKNTD-UHFFFAOYSA-N,C8H17O5P,224.19,224.0813606,0.5,61.8,206,0,0,5,8,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
L-ETHIONINE,013073-35-3,25674,(2S)-2-amino-4-ethylsulfanylbutanoic acid,CCSCC[C@@H](C(=O)O)N,"InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",GGLZPLKKBSSKCX-YFKPBYRVSA-N,C6H13NO2S,163.24,163.0666998,-1.5,88.6,108,0,2,4,5,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SPERMIDINE PHOSPHATE,049721-50-8,39519,bis(4-azaniumylbutyl(3-azaniumylpropyl)azanium);hydrogen phosphate,C(CC[NH2+]CCC[NH3+])C[NH3+].C(CC[NH2+]CCC[NH3+])C[NH3+].OP(=O)([O-])[O-].OP(=O)([O-])[O-].OP(=O)([O-])[O-],"InChI=1S/2C7H19N3.3H3O4P/c2*8-4-1-2-6-10-7-3-5-9;3*1-5(2,3)4/h2*10H,1-9H2;3*(H3,1,2,3,4)",RQFVSMCFDFGRDX-UHFFFAOYSA-N,C14H47N6O12P3,584.48,584.246482,,394,103,0,9,12,14,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-(TRIMETHYLSILYL)PROPIONIC ACID, SODIUM SALT",037013-20-0,23666333,sodium 3-trimethylsilylpropanoate,C[Si](C)(C)CCC(=O)[O-].[Na+],"InChI=1S/C6H14O2Si.Na/c1-9(2,3)5-4-6(7)8;/h4-5H2,1-3H3,(H,7,8);/q;+1/p-1",OIIWPAYIXDCDNL-UHFFFAOYSA-M,C6H13NaO2Si,168.24,168.0582505,,40.1,109,0,0,2,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIMETHYL PIMELIMIDATE DIHYDROCHLORIDE,058537-94-3,11402688,dimethyl heptanediimidate;dihydrochloride,COC(=N)CCCCCC(=N)OC.Cl.Cl,"InChI=1S/C9H18N2O2.2ClH/c1-12-8(10)6-4-3-5-7-9(11)13-2;;/h10-11H,3-7H2,1-2H3;2*1H",LRHXBHUTQWIZTN-UHFFFAOYSA-N,C9H20Cl2N2O2,259.17,258.0901833,,66.2,151,0,4,4,8,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ETHYL NITROACETATE,000626-35-7,69379,ethyl 2-nitroacetate,CCOC(=O)C[N+](=O)[O-],"InChI=1S/C4H7NO4/c1-2-9-4(6)3-5(7)8/h2-3H2,1H3",FTKASJMIPSSXBP-UHFFFAOYSA-N,C4H7NO4,133.1,133.0375077,0.5,72.1,116,0,0,4,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SUCCINIC ACID DISODIUM HEXAHYDRATE,006106-21-4,3083938,disodium;butanedioate;hexahydrate,C(CC(=O)[O-])C(=O)[O-].O.O.O.O.O.O.[Na+].[Na+],"InChI=1S/C4H6O4.2Na.6H2O/c5-3(6)1-2-4(7)8;;;;;;;;/h1-2H2,(H,5,6)(H,7,8);;;6*1H2/q;2*+1;;;;;;/p-2",ZBTUYCUNQBRXOR-UHFFFAOYSA-L,C4H16Na2O10,270.14,270.0538853,,86.3,81,0,6,10,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMMONIUM PARATUNGSTATE,011120-25-5,90478577,decaazanium;hexakis(dioxido(dioxo)tungsten);hydron;hexakis(trioxotungsten),[H+].[H+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-][W](=O)(=O)[O-].[O-][W](=O)(=O)[O-].[O-][W](=O)(=O)[O-].[O-][W](=O)(=O)[O-].[O-][W](=O)(=O)[O-].[O-][W](=O)(=O)[O-].O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O,InChI=1S/10H3N.42O.12W/h10*1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;12*-1;;;;;;;;;;;;/p+12,XAYGUHUYDMLJJV-UHFFFAOYSA-Z,H42N10O42W12,3060.5,3059.5577,,799,124,0,12,42,0,64,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ARACHIDIC ACID,000506-30-9,10467,icosanoic acid,CCCCCCCCCCCCCCCCCCCC(=O)O,"InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)",VKOBVWXKNCXXDE-UHFFFAOYSA-N,C20H40O2,312.5,312.3028305,8.5,37.3,226,0,1,2,18,22,,328.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DICHLOROMETHANE-D2,001665-00-5,160586,dichloro(dideuterio)methane,[2H]C([2H])(Cl)Cl,InChI=1S/CH2Cl2/c2-1-3/h1H2/i1D2,YMWUJEATGCHHMB-DICFDUPASA-N,CH2Cl2,86.94,85.9659089,1.5,0,2,0,0,0,0,3,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,1,1
PHOSPHOMOLYBDIC ACID SODIUM SALT,001313-30-0,91617588,trisodium;dodecakis(trioxomolybdenum);phosphate,[O-]P(=O)([O-])[O-].O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.[Na+].[Na+].[Na+],"InChI=1S/12Mo.3Na.H3O4P.36O/c;;;;;;;;;;;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;;;;(H3,1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3",TXYKAWLFCATKDB-UHFFFAOYSA-K,Mo12Na3O40P,1891.3,1889.609073,,701,98,0,0,40,0,56,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHYTOL,000150-86-7,5280435,"(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol",C[C@@H](CCC[C@@H](C)CCC/C(=C/CO)/C)CCCC(C)C,"InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1",BOTWFXYSPFMFNR-PYDDKJGSSA-N,C20H40O,296.5,296.3079159,8.2,20.2,255,0,1,1,13,21,,202.00 to 204.00 °C. @ 10.00 mm Hg,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
10-UNDECYNOIC ACID,002777-65-3,31039,undec-10-ynoic acid,C#CCCCCCCCCC(=O)O,"InChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h1H,3-10H2,(H,12,13)",OAOUTNMJEFWJPO-UHFFFAOYSA-N,C11H18O2,182.26,182.1306798,3.3,37.3,176,0,1,2,8,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAHEXYLAMMONIUM IODIDE,002138-24-1,75056,tetrahexylazanium iodide,CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[I-],"InChI=1S/C24H52N.HI/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;/h5-24H2,1-4H3;1H/q+1;/p-1",VRKHAMWCGMJAMI-UHFFFAOYSA-M,C24H52IN,481.6,481.31445,,0,195,0,0,1,20,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GADOLINIUM(III) CHLORIDE HEXAHYDRATE,013450-84-5,197915,gadolinium(3+);trichloride;hexahydrate,O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Gd+3],InChI=1S/3ClH.Gd.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3,PNYPSKHTTCTAMD-UHFFFAOYSA-K,Cl3GdH12O6,371.7,370.89406,,6,0,0,6,9,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PERFLUOROTRIBUTYLAMINE,000311-89-7,9397,"1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine",C(C(C(F)(F)F)(F)F)(C(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C12F27N/c13-1(14,7(25,26)27)4(19,20)10(34,35)40(11(36,37)5(21,22)2(15,16)8(28,29)30)12(38,39)6(23,24)3(17,18)9(31,32)33",RVZRBWKZFJCCIB-UHFFFAOYSA-N,C12F27N,671.09,670.9599594,9.9,3.2,792,0,0,28,9,40,,178 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM HEXACHLOROPALLADATE(IV),016919-73-6,61852,dipotassium;hexachloropalladium(2-),Cl[Pd-2](Cl)(Cl)(Cl)(Cl)Cl.[K+].[K+],InChI=1S/6ClH.2K.Pd/h6*1H;;;/q;;;;;;2*+1;+4/p-6,OEDRXJBJMMJUSV-UHFFFAOYSA-H,Cl6K2Pd,397.3,395.64106,,0,62,0,0,1,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
RHENIUM(III) CHLORIDE,013569-63-6,83581,trichlororhenium,Cl[Re](Cl)Cl,InChI=1S/3ClH.Re/h3*1H;/q;;;+3/p-3,LOIHSHVELSAXQN-UHFFFAOYSA-K,Cl3Re,292.56,291.86231,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DL-A-HYDROXYPALMITIC ACID,000764-67-0,92836,2-hydroxyhexadecanoic acid,CCCCCCCCCCCCCCC(C(=O)O)O,"InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15,17H,2-14H2,1H3,(H,18,19)",JGHSBPIZNUXPLA-UHFFFAOYSA-N,C16H32O3,272.42,272.2351449,6.4,57.5,204,0,2,3,14,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
BIS-TRIS PROPANE,064431-96-5,125132,"2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol",C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,"InChI=1S/C11H26N2O6/c14-4-10(5-15,6-16)12-2-1-3-13-11(7-17,8-18)9-19/h12-19H,1-9H2",HHKZCCWKTZRCCL-UHFFFAOYSA-N,C11H26N2O6,282.33,282.1790866,-4.6,145,183,0,8,8,12,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CERIUM(III) ACETYLACETONATE HYDRATE,015653-01-7,6450231,cerium(3+);tris((Z)-4-oxopent-2-en-2-olate),C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Ce+3],"InChI=1S/3C5H8O2.Ce/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-;",PYPNFSVOZBISQN-LNTINUHCSA-K,C15H21CeO6,437.44,437.03926,,120,90,0,0,6,3,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
PERFLUOROHEXYL IODIDE,000355-43-1,67733,"1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodohexane",C(C(C(C(F)(F)I)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,"InChI=1S/C6F13I/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20",BULLJMKUVKYZDJ-UHFFFAOYSA-N,C6F13I,445.95,445.88371,5.4,0,366,0,0,13,4,20,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
OCTAFLUOROADIPIC ACID,000336-08-3,67640,"2,2,3,3,4,4,5,5-octafluorohexanedioic acid",C(=O)(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C6H2F8O4/c7-3(8,1(15)16)5(11,12)6(13,14)4(9,10)2(17)18/h(H,15,16)(H,17,18)",AXRSOGFYDSXLQX-UHFFFAOYSA-N,C6H2F8O4,290.06,289.9825338,2,74.6,340,0,2,12,5,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N'-DIMETHYL-1,6-HEXANEDIAMINE",013093-04-4,83131,"N,N'-dimethylhexane-1,6-diamine",CNCCCCCCNC,"InChI=1S/C8H20N2/c1-9-7-5-3-4-6-8-10-2/h9-10H,3-8H2,1-2H3",MDKQJOKKKZNQDG-UHFFFAOYSA-N,C8H20N2,144.26,144.1626486,0.8,24.1,47,0,2,2,7,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
STANNOUS OLEATE,001912-84-1,22297784,bis((Z)-octadec-9-enoate);tin(2+),CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Sn+2],"InChI=1S/2C18H34O2.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2/b2*10-9-;",PXRFIHSUMBQIOK-CVBJKYQLSA-L,C36H66O4Sn,681.6,682.398313,,80.3,228,0,0,4,28,41,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
1-IODOPERFLUOROPROPANE,000754-34-7,33977,"1,1,1,2,2,3,3-heptafluoro-3-iodopropane",C(C(F)(F)F)(C(F)(F)I)(F)F,"InChI=1S/C3F7I/c4-1(5,2(6,7)8)3(9,10)11",XTGYEAXBNRVNQU-UHFFFAOYSA-N,C3F7I,295.93,295.89329,3.4,0,146,0,0,7,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ZINC ACETYLACETONATE HYDRATE,108503-47-5,10912358,bis((Z)-4-hydroxypent-3-en-2-one);zinc,C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.[Zn],"InChI=1S/2C5H8O2.Zn/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/b2*4-3-;",KNXAKZGJNLAYCJ-FDGPNNRMSA-N,C10H16O4Zn,265.6,264.034001,,74.6,239,0,2,4,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SAMARIUM CARBONATE,005895-47-6,165370,bis(samarium(3+));tricarbonate,C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].[Sm+3].[Sm+3],"InChI=1S/3CH2O3.2Sm/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6",QCZFMLDHLOYOQJ-UHFFFAOYSA-H,C3O9Sm2,480.7,485.79619,,190,18,0,0,9,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMMONIUM HEXAFLUOROTANTALATE,033380-11-9,22628874,azanium hexafluorotantalum(1-),[NH4+].F[Ta-](F)(F)(F)(F)F,InChI=1S/6FH.H3N.Ta/h6*1H;1H3;/q;;;;;;;+5/p-5,RZFFBJSLSJWTAI-UHFFFAOYSA-I,F6H4NTa,312.977,312.97279,,1,62,0,1,7,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,6-HEXANETRIOL",000106-69-4,7823,"hexane-1,2,6-triol",C(CCO)CC(CO)O,"InChI=1S/C6H14O3/c7-4-2-1-3-6(9)5-8/h6-9H,1-5H2",ZWVMLYRJXORSEP-UHFFFAOYSA-N,C6H14O3,134.17,134.0942943,-0.7,60.7,56,0,3,3,5,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
RICINOLEIC ACID,000141-22-0,643684,"(Z,12R)-12-hydroxyoctadec-9-enoic acid",CCCCCC[C@H](C/C=C\CCCCCCCC(=O)O)O,"InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1",WBHHMMIMDMUBKC-QJWNTBNXSA-N,C18H34O3,298.5,298.2507949,5.7,57.5,261,0,2,3,15,21,,245 °C at 10 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM TRIFLUOROMETHANESULFONATE,002926-30-9,23676748,sodium trifluoromethanesulfonate,C(F)(F)(F)S(=O)(=O)[O-].[Na+],"InChI=1S/CHF3O3S.Na/c2-1(3,4)8(5,6)7;/h(H,5,6,7);/q;+1/p-1",XGPOMXSYOKFBHS-UHFFFAOYSA-M,CF3NaO3S,172.06,171.9417938,,65.6,162,0,0,6,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GAMMA-LINOLENIC ACID,000506-26-3,5280933,"(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid",CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-",VZCCETWTMQHEPK-QNEBEIHSSA-N,C18H30O2,278.4,278.2245802,5.9,37.3,301,0,1,2,13,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM OLEATE,000143-18-0,23665571,potassium (Z)-octadec-9-enoate,CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[K+],"InChI=1S/C18H34O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1/b10-9-;",MLICVSDCCDDWMD-KVVVOXFISA-M,C18H33KO2,320.6,320.2117618,,40.1,239,0,0,2,15,21,140 °F CC,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYL DIETHOXYACETATE,006065-82-3,80169,"ethyl 2,2-diethoxyacetate",CCOC(C(=O)OCC)OCC,"InChI=1S/C8H16O4/c1-4-10-7(9)8(11-5-2)12-6-3/h8H,4-6H2,1-3H3",XCLBIKIQSCTANZ-UHFFFAOYSA-N,C8H16O4,176.21,176.104859,1.1,44.8,118,0,0,4,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(+)-N,N'-DIALLYLTARTARDIAMIDE",058477-85-3,94074,"(2R,3R)-2,3-dihydroxy-N,N'-bis(prop-2-enyl)butanediamide",C=CCNC(=O)[C@@H]([C@H](C(=O)NCC=C)O)O,"InChI=1S/C10H16N2O4/c1-3-5-11-9(15)7(13)8(14)10(16)12-6-4-2/h3-4,7-8,13-14H,1-2,5-6H2,(H,11,15)(H,12,16)/t7-,8-/m1/s1",ZRKLEAHGBNDKHM-HTQZYQBOSA-N,C10H16N2O4,228.24,228.111007,-1.1,98.7,250,0,4,4,7,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COPPER(II) ETHYLACETOACETATE,014284-06-1,131873662,copper bis(ethyl 3-oxobutanoate),CCOC(=O)[CH-]C(=O)C.CCOC(=O)[CH-]C(=O)C.[Cu+2],"InChI=1S/2C6H9O3.Cu/c2*1-3-9-6(8)4-5(2)7;/h2*4H,3H2,1-2H3;/q2*-1;+2",OXFZSJOUPRCPJO-UHFFFAOYSA-N,C12H18CuO6,321.81,321.039935,,86.7,271,0,0,8,4,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAETHYLAMMONIUM HYDROGEN SULFATE,016873-13-5,167582,hydrogen sulfate;tetraethylazanium,CC[N+](CC)(CC)CC.OS(=O)(=O)[O-],"InChI=1S/C8H20N.H2O4S/c1-5-9(6-2,7-3)8-4;1-5(2,3)4/h5-8H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1",CREVBWLEPKAZBH-UHFFFAOYSA-M,C8H21NO4S,227.32,227.1191293,,85.8,123,0,1,4,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AZELAIC ACID,000123-99-9,2266,nonanedioic acid,C(CCCC(=O)O)CCCC(=O)O,"InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)",BDJRBEYXGGNYIS-UHFFFAOYSA-N,C9H16O4,188.22,188.104859,1.6,74.6,147,0,2,4,8,13,210 °C (closed cup),357.1 °C; 287 °C at 100 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PERFLUOROOCTYL BROMIDE,000423-55-2,9873,"1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane",C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C8BrF17/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26",WTWWXOGTJWMJHI-UHFFFAOYSA-N,C8BrF17,498.96,497.89119,6.9,0,527,0,0,17,6,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,1-DIMETHYLUREA",000598-94-7,11737,"1,1-dimethylurea",CN(C)C(=O)N,"InChI=1S/C3H8N2O/c1-5(2)3(4)6/h1-2H3,(H2,4,6)",YBBLOADPFWKNGS-UHFFFAOYSA-N,C3H8N2O,88.11,88.06366288,-0.8,46.3,59,0,1,1,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAETHYLPHOSPHONIUM BROMIDE,004317-07-1,9859378,tetraethylphosphanium bromide,CC[P+](CC)(CC)CC.[Br-],"InChI=1S/C8H20P.BrH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1",LIXPXSXEKKHIRR-UHFFFAOYSA-M,C8H20BrP,227.12,226.0486,,0,47,0,0,1,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
RESOLVE-AL,015522-71-1,5486784,"europium(3+);tris((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)",CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.[Eu+3],"InChI=1S/3C11H20O2.Eu/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/q;;;+3/p-3/b3*8-7-;",DVUACRCEVJAWMS-LWTKGLMZSA-K,C33H57EuO6,701.8,702.33675,,120,199,0,0,6,9,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OCTADECYL SODIUM SULFATE,001120-04-3,23673604,sodium octadecyl sulfate,CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+],"InChI=1S/C18H38O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h2-18H2,1H3,(H,19,20,21);/q;+1/p-1",NWZBFJYXRGSRGD-UHFFFAOYSA-M,C18H37NaO4S,372.5,372.2310251,,74.8,328,0,0,4,18,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ERBIUM SULFATE OCTAHYDRATE,010031-52-4,25021617,bis(erbium(3+));trisulfate;octahydrate,O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Er+3].[Er+3],"InChI=1S/2Er.3H2O4S.8H2O/c;;3*1-5(2,3)4;;;;;;;;/h;;3*(H2,1,2,3,4);8*1H2/q2*+3;;;;;;;;;;;/p-6",SMNPRCXUVYGCAE-UHFFFAOYSA-H,Er2H16O20S3,766.8,765.802386,,274,62,0,8,20,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRANS-2-OCTENAL,002548-87-0,5283324,(E)-oct-2-enal,CCCCC/C=C/C=O,"InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+",LVBXEMGDVWVTGY-VOTSOKGWSA-N,C8H14O,126.2,126.1044651,2.6,17.1,84,0,0,1,5,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHYTOL, MIXTURE OF ISOMERS",007541-49-3,5366244,"(E)-3,7,11,15-tetramethylhexadec-2-en-1-ol",CC(C)CCCC(C)CCCC(C)CCC/C(=C/CO)/C,"InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+",BOTWFXYSPFMFNR-HMMYKYKNSA-N,C20H40O,296.5,296.3079159,8.2,20.2,255,0,1,1,13,21,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
3-(TRIMETHYLAMMONIUM)PROPANESULFONATE,021865-17-8,30837,3-(trimethylazaniumyl)propane-1-sulfonate,C[N+](C)(C)CCCS(=O)(=O)[O-],"InChI=1S/C6H15NO3S/c1-7(2,3)5-4-6-11(8,9)10/h4-6H2,1-3H3",WFJHXXPYPMNRPK-UHFFFAOYSA-N,C6H15NO3S,181.26,181.0772645,-0.6,65.6,184,0,0,3,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DITHIOERYTHRITOL,006892-68-8,439352,"(2R,3S)-1,4-bis(sulfanyl)butane-2,3-diol",C([C@H]([C@H](CS)O)O)S,"InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4+",VHJLVAABSRFDPM-ZXZARUISSA-N,C4H10O2S2,154.3,154.0122219,-0.4,42.5,52,0,4,4,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-BROMO-2,2-DIMETHYL-1-PROPANOL",040894-00-6,142501,"3-bromo-2,2-dimethylpropan-1-ol",CC(C)(CO)CBr,"InChI=1S/C5H11BrO/c1-5(2,3-6)4-7/h7H,3-4H2,1-2H3",KQOQXYPZBYTICM-UHFFFAOYSA-N,C5H11BrO,167.04,165.99933,1.5,20.2,52,0,1,1,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-LYSINE ETHYL ESTER DIHYDROCHLORIDE,003844-53-9,107468,"ethyl (2S)-2,6-diaminohexanoate;dihydrochloride",CCOC(=O)[C@H](CCCCN)N.Cl.Cl,"InChI=1S/C8H18N2O2.2ClH/c1-2-12-8(11)7(10)5-3-4-6-9;;/h7H,2-6,9-10H2,1H3;2*1H/t7-;;/m0../s1",DZIYAIZKJOHVQC-KLXURFKVSA-N,C8H20Cl2N2O2,247.16,246.0901833,,78.3,128,0,4,4,7,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"AMMONIUM CITRATE, TRIBASIC",003458-72-8,18954,"triazanium;2-hydroxypropane-1,2,3-tricarboxylate",C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[NH4+].[NH4+].[NH4+],"InChI=1S/C6H8O7.3H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1H3",YWYZEGXAUVWDED-UHFFFAOYSA-N,C6H17N3O7,243.22,243.1066499,,144,211,0,4,7,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAETHYLAMMONIUM ACETATE,001185-59-7,102017,tetraethylazanium acetate,CC[N+](CC)(CC)CC.CC(=O)[O-],"InChI=1S/C8H20N.C2H4O2/c1-5-9(6-2,7-3)8-4;1-2(3)4/h5-8H2,1-4H3;1H3,(H,3,4)/q+1;/p-1",GTCDARUMAMVCRO-UHFFFAOYSA-M,C10H23NO2,189.3,189.172879,,40.1,73,0,0,2,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DI-TERT-BUTYL AZODICARBOXYLATE,000870-50-8,97268,tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate,CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)C,"InChI=1S/C10H18N2O4/c1-9(2,3)15-7(13)11-12-8(14)16-10(4,5)6/h1-6H3",QKSQWQOAUQFORH-UHFFFAOYSA-N,C10H18N2O4,230.26,230.1266571,2.9,77.3,267,0,0,4,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
YTTRIUM(III) HEXAFLUOROACETYLACETONATE,018911-76-7,2778093,"tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);yttrium(3+)",C(=C(C(F)(F)F)[O-])C(=O)C(F)(F)F.C(=C(C(F)(F)F)[O-])C(=O)C(F)(F)F.C(=C(C(F)(F)F)[O-])C(=O)C(F)(F)F.[Y+3],"InChI=1S/3C5H2F6O2.Y/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*1,12H;/q;;;+3/p-3",VJOUMINOGFSOBW-UHFFFAOYSA-K,C15H3F18O6Y,710.06,709.870058,,120,210,0,0,24,3,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRADECYL ALDEHYDE,000124-25-4,31291,tetradecanal,CCCCCCCCCCCCCC=O,"InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h14H,2-13H2,1H3",UHUFTBALEZWWIH-UHFFFAOYSA-N,C14H28O,212.37,212.2140155,6,17.1,121,0,0,1,12,15,,166.00 °C. @ 24.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"TETRAKIS (2,2,6,6-TETRAMETHYL-6,6-HEPTANEDIONATE) ZIRCONIUM",018865-74-2,131850348,"tetrakis(2,2,6,6-tetramethylheptane-3,5-dione);zirconium(4+)",CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.[Zr+4],"InChI=1S/4C11H19O2.Zr/c4*1-10(2,3)8(12)7-9(13)11(4,5)6;/h4*7H,1-6H3;/q4*-1;+4",MOOILSXNGBFZKZ-UHFFFAOYSA-N,C44H76O8Zr,824.3,822.458718,,137,964,0,0,12,8,53,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYLENEDIAMINE TETRAACETIC ACID TRIPOTASSIUM SALT,017572-97-3,62717,tripotassium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate,C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[K+].[K+].[K+],"InChI=1S/C10H16N2O8.3K/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;3*+1/p-3",FYZXEMANQYHCFX-UHFFFAOYSA-K,C10H13K3N2O8,406.51,405.9583098,,164,351,0,1,10,8,23,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
RESOLVE-AL GD,014768-15-1,5483717,"gadolinium(3+);tris((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)",CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.[Gd+3],"InChI=1S/3C11H20O2.Gd/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/q;;;+3/p-3/b3*8-7-;",DPHFYRREQBVMBY-LWTKGLMZSA-K,C33H57GdO6,707,707.33963,,120,199,0,0,6,9,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-BROMO-1-HEXANOL,004286-55-9,77970,6-bromohexan-1-ol,C(CCCBr)CCO,"InChI=1S/C6H13BrO/c7-5-3-1-2-4-6-8/h8H,1-6H2",FCMCSZXRVWDVAW-UHFFFAOYSA-N,C6H13BrO,181.07,180.01498,1.7,20.2,39,0,1,1,5,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAOCTYLAMMONIUM BROMIDE,014866-33-2,2734117,tetraoctylazanium bromide,CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[Br-],"InChI=1S/C32H68N.BrH/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;1H/q+1;/p-1",QBVXKDJEZKEASM-UHFFFAOYSA-M,C32H68BrN,546.8,545.45351,,0,281,0,0,1,28,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAETHYLAMMONIUM IODIDE,000068-05-3,6225,tetraethylazanium iodide,CC[N+](CC)(CC)CC.[I-],"InChI=1S/C8H20N.HI/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1",UQFSVBXCNGCBBW-UHFFFAOYSA-M,C8H20IN,257.16,257.06405,,0,47,0,0,1,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ZINC HYDROXIDE,020427-58-1,9812759,zinc dihydroxide,[OH-].[OH-].[Zn+2],InChI=1S/2H2O.Zn/h2*1H2;/q;;+2/p-2,UGZADUVQMDAIAO-UHFFFAOYSA-L,H2O2Zn,99.4,97.934621,,2,0,0,2,2,0,3,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
ALUMINUM STEARATE,000300-92-5,16682938,,CCCCCCCCCCCCCCCCCC(=O)O[Al]OC(=O)CCCCCCCCCCCCCCCCC.O,"InChI=1S/2C18H36O2.Al.H2O/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*2-17H2,1H3,(H,19,20);;1H2/q;;+2;/p-2",ZFBYSSBIQZUBBE-UHFFFAOYSA-L,C36H72AlO5,611.9,611.5195138,,53.6,497,0,1,5,36,42,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
FERRIC PHOSPHATE,010045-86-0,24861,iron(3+) phosphate,[O-]P(=O)([O-])[O-].[Fe+3],"InChI=1S/Fe.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3",WBJZTOZJJYAKHQ-UHFFFAOYSA-K,FeO4P,150.82,150.888356,,86.3,36,0,0,4,0,6,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
(+-)3-HYDROXYBUTANOIC ACID MONOSODIUM SALT,000306-31-0,23676771,sodium 3-hydroxybutanoate,CC(CC(=O)[O-])O.[Na+],"InChI=1S/C4H8O3.Na/c1-3(5)2-4(6)7;/h3,5H,2H2,1H3,(H,6,7);/q;+1/p-1",NBPUSGBJDWCHKC-UHFFFAOYSA-M,C4H7NaO3,126.09,126.0292884,,60.4,73,0,1,3,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-PENTYN-1-OL,005390-04-5,79346,pent-4-yn-1-ol,C#CCCCO,"InChI=1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2",CRWVOXFUXPYTRK-UHFFFAOYSA-N,C5H8O,84.12,84.05751487,0.5,20.2,57,0,1,1,2,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM PENTACHLORONITROSYLRUTHENIUM (II),014854-54-7,159753,dipotassium;azanylidyneoxidanium;ruthenium(2+);pentachloride,N#[O+].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[K+].[K+].[Ru+2],InChI=1S/5ClH.2K.NO.Ru/c;;;;;;;1-2;/h5*1H;;;;/q;;;;;3*+1;+2/p-5,FCWXUHRWZLOTGH-UHFFFAOYSA-I,Cl5K2NORu,386.5,386.671055,,24.8,10,0,0,6,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DECYLTRIMETHOXYSILANE,005575-48-4,2758023,decyl(trimethoxy)silane,CCCCCCCCCC[Si](OC)(OC)OC,"InChI=1S/C13H30O3Si/c1-5-6-7-8-9-10-11-12-13-17(14-2,15-3)16-4/h5-13H2,1-4H3",KQAHMVLQCSALSX-UHFFFAOYSA-N,C13H30O3Si,262.46,262.1964214,,27.7,152,0,0,3,12,17,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"COPPER (II) 2,4-PENTANEDIONATE",013395-16-9,13669119,"copper bis(pentane-2,4-dione)",CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Cu+2],"InChI=1S/2C5H7O2.Cu/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2",KMOVDRADWUSGIH-UHFFFAOYSA-N,C10H14CuO4,261.76,261.018806,,68.3,196,0,0,6,4,15,,Sublimes,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SAMARIUM CHLORIDE HEXAHYDRATE,013465-55-9,16211489,trichlorosamarium;hexahydrate,O.O.O.O.O.O.Cl[Sm](Cl)Cl,InChI=1S/3ClH.6H2O.Sm/h3*1H;6*1H2;/q;;;;;;;;;+3/p-3,TXVNDKHBDRURNU-UHFFFAOYSA-K,Cl3H12O6Sm,364.8,364.88968,,6,8,0,6,6,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYLENEDIAMINETETRAACETIC ACID DISODIUM-CALCIUM,000062-33-9,6093170,calcium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate,C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Ca+2],"InChI=1S/C10H16N2O8.Ca.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;+2;2*+1/p-4",SHWNNYZBHZIQQV-UHFFFAOYSA-J,C10H12CaN2Na2O8,374.27,374.0014948,,167,293,0,0,10,7,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEXACOSANOIC ACID,000506-46-7,10469,hexacosanoic acid,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,"InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)",XMHIUKTWLZUKEX-UHFFFAOYSA-N,C26H52O2,396.7,396.3967309,11.8,37.3,301,0,1,2,24,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PENTAETHYLENE GLYCOL,004792-15-8,62551,2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol,C(COCCOCCOCCOCCO)O,"InChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2",JLFNLZLINWHATN-UHFFFAOYSA-N,C10H22O6,238.28,238.1416384,-1.7,77.4,108,0,2,6,13,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
STRONTIUM BROMIDE HEXAHYDRATE,007789-53-9,165644,strontium;dibromide;hexahydrate,O.O.O.O.O.O.[Br-].[Br-].[Sr+2],InChI=1S/2BrH.6H2O.Sr/h2*1H;6*1H2;/q;;;;;;;;+2/p-2,FLMJUJXBFKFYOZ-UHFFFAOYSA-L,Br2H12O6Sr,355.52,355.80363,,6,0,0,6,8,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAHEXADECYLAMMONIUM BROMIDE,139653-55-7,12073128,tetrahexadecylazanium bromide,CCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.[Br-],"InChI=1S/C64H132N.BrH/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65(62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;/h5-64H2,1-4H3;1H/q+1;/p-1",RBIRNUUGKIFHKK-UHFFFAOYSA-M,C64H132BrN,995.6,993.95432,,0,670,0,0,1,60,66,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAOCTADECYLAMMONIUM BROMIDE,063462-99-7,3017419,tetraoctadecylazanium bromide,CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.[Br-],"InChI=1S/C72H148N.BrH/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73(70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;/h5-72H2,1-4H3;1H/q+1;/p-1",BUXYZRAZWWVKDS-UHFFFAOYSA-M,C72H148BrN,1107.9,1106.07952,,0,775,0,0,1,68,74,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DL-CARNITINE HYDROCHLORIDE,000461-05-2,5970,(3-carboxy-2-hydroxypropyl)-trimethylazanium chloride,C[N+](C)(C)CC(CC(=O)O)O.[Cl-],"InChI=1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H",JXXCENBLGFBQJM-UHFFFAOYSA-N,C7H16ClNO3,197.66,197.0818711,,57.5,139,0,2,4,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ACETYL-L-CARNITINE HYDROCHLORIDE,005080-50-2,2733928,[(2R)-2-acetyloxy-3-carboxypropyl]-trimethylazanium chloride,CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.[Cl-],"InChI=1S/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H/t8-;/m1./s1",JATPLOXBFFRHDN-DDWIOCJRSA-N,C9H18ClNO4,239.69,239.0924357,,63.6,219,0,1,5,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SILVER TRIFLUOROMETHANESULFONATE,002923-28-6,76223,silver trifluoromethanesulfonate,C(F)(F)(F)S(=O)(=O)[O-].[Ag+],"InChI=1S/CHF3O3S.Ag/c2-1(3,4)8(5,6)7;/h(H,5,6,7);/q;+1/p-1",QRUBYZBWAOOHSV-UHFFFAOYSA-M,CAgF3O3S,256.94,255.85712,,65.6,145,0,0,6,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-FLUORO-2-DEOXY-D-GLUCOSE,086783-82-6,13715114,"2-fluoro-3,4,5,6-tetrahydroxyhexanal",C(C(C(C(C(C=O)F)O)O)O)O,"InChI=1S/C6H11FO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2H2",AOYNUTHNTBLRMT-UHFFFAOYSA-N,C6H11FO5,182.15,182.0590516,-2.4,98,142,0,4,6,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SILVER(I) SULFIDE,021548-73-2,22981889,silver;sulfanylidenesilver,S=[Ag].[Ag],InChI=1S/2Ag.S,OCWNMDUAUUAHSJ-UHFFFAOYSA-N,Ag2S,247.8,247.78192,,32.1,2,0,0,1,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SPERMIDINE TRIHYDROCHLORIDE,000334-50-9,9539,"N'-(3-aminopropyl)butane-1,4-diamine;trihydrochloride",C(CCNCCCN)CN.Cl.Cl.Cl,"InChI=1S/C7H19N3.3ClH/c8-4-1-2-6-10-7-3-5-9;;;/h10H,1-9H2;3*1H",LCNBIHVSOPXFMR-UHFFFAOYSA-N,C7H22Cl3N3,254.6,253.087931,,64.1,56,0,6,3,7,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CADAVERINE DIHYDROCHLORIDE,001476-39-7,5351467,"pentane-1,5-diamine;hydrochloride",C(CCN)CCN.Cl,InChI=1S/C5H14N2.ClH/c6-4-2-1-3-5-7;/h1-7H2;1H,RLNAIWYXIAJDTN-UHFFFAOYSA-N,C5H15ClN2,138.64,138.0923762,,52,25,0,3,2,4,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GOLD(III) OXIDE,001303-58-8,164805,bis(gold(3+));tris(oxygen(2-)),[O-2].[O-2].[O-2].[Au+3].[Au+3],InChI=1S/2Au.3O/q2*+3;3*-2,DDYSHSNGZNCTKB-UHFFFAOYSA-N,Au2O3,441.931,441.91788,,3,0,0,0,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DL-LACTIC ACID LITHIUM SALT,000867-55-0,23673452,lithium 2-hydroxypropanoate,[Li+].CC(C(=O)[O-])O,"InChI=1S/C3H6O3.Li/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1",GKQWYZBANWAFMQ-UHFFFAOYSA-M,C3H5LiO3,96,96.03987245,,60.4,63,0,1,3,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SPHINGOSINE,000123-78-4,5280335,"(E,2S,3R)-2-aminooctadec-4-ene-1,3-diol",CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O,"InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1",WWUZIQQURGPMPG-KRWOKUGFSA-N,C18H37NO2,299.5,299.2824294,5.3,66.5,231,0,3,3,15,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYLMALONIC ACID,000516-05-2,487,2-methylpropanedioic acid,CC(C(=O)O)C(=O)O,"InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)",ZIYVHBGGAOATLY-UHFFFAOYSA-N,C4H6O4,118.09,118.0266087,0.1,74.6,103,0,2,4,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2,3,3,4,4,5,5-OCTAFLUORO-1-PENTANOL",000355-80-6,9641,"2,2,3,3,4,4,5,5-octafluoropentan-1-ol",C(C(C(C(C(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C5H4F8O/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2,14H,1H2",JUGSKHLZINSXPQ-UHFFFAOYSA-N,C5H4F8O,232.07,232.01344,2.4,20.2,200,0,1,9,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PERFLUOROTETRACOSANE,001766-41-2,2776369,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,24-pentacontafluorotetracosane",C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C24F50/c25-1(26,3(29,30)5(33,34)7(37,38)9(41,42)11(45,46)13(49,50)15(53,54)17(57,58)19(61,62)21(65,66)23(69,70)71)2(27,28)4(31,32)6(35,36)8(39,40)10(43,44)12(47,48)14(51,52)16(55,56)18(59,60)20(63,64)22(67,68)24(72,73)74",AXFFGMPNSZVEDX-UHFFFAOYSA-N,C24F50,1238.2,1237.920158,17.2,0,1880,0,0,50,21,74,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LUTETIUM IODIDE,013813-45-1,83752,triiodolutetium,I[Lu](I)I,InChI=1S/3HI.Lu/h3*1H;/q;;;+3/p-3,NZOCXFRGADJTKP-UHFFFAOYSA-K,I3Lu,555.6801,555.6542,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LUTETIUM CHLORIDE,010099-66-8,24919,trichlorolutetium,Cl[Lu](Cl)Cl,InChI=1S/3ClH.Lu/h3*1H;/q;;;+3/p-3,AEDROEGYZIARPU-UHFFFAOYSA-K,Cl3Lu,281.32,279.84734,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MAGNESIUM ALUMINUM OXIDE,012068-51-8,9855501,dialuminum;magnesium;tetrakis(oxygen(2-)),[O-2].[O-2].[O-2].[O-2].[Mg+2].[Al+3].[Al+3],InChI=1S/2Al.Mg.4O/q2*+3;+2;4*-2,UAMZXLIURMNTHD-UHFFFAOYSA-N,Al2MgO4,142.27,141.927777,,4,0,0,0,4,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BROMO-6-CHLOROHEXANE,006294-17-3,80516,1-bromo-6-chlorohexane,C(CCCBr)CCCl,InChI=1S/C6H12BrCl/c7-5-3-1-2-4-6-8/h1-6H2,JTYUIAOHIYZBPB-UHFFFAOYSA-N,C6H12BrCl,199.51,197.98109,3,0,39,0,0,0,5,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
EUROPIUM TRIBROMIDE,013759-88-1,83707,tribromoeuropium,Br[Eu](Br)Br,InChI=1S/3BrH.Eu/h3*1H;/q;;;+3/p-3,QEDFUJZRPHEBFG-UHFFFAOYSA-K,Br3Eu,391.68,391.6742,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRABUTYLPHOSPHONIUM NITRATE,013262-37-8,22114433,tetrabutylphosphanium nitrate,CCCC[P+](CCCC)(CCCC)CCCC.[N+](=O)([O-])[O-],"InChI=1S/C16H36P.NO3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3)4/h5-16H2,1-4H3;/q+1;-1",KUBXSUKJFAQDPV-UHFFFAOYSA-N,C16H36NO3P,321.44,321.243281,,62.9,135,0,0,3,12,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OCTADECYLTRIETHOXYSILANE,007399-00-0,81885,triethoxy(octadecyl)silane,CCCCCCCCCCCCCCCCCC[Si](OCC)(OCC)OCC,"InChI=1S/C24H52O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(25-6-2,26-7-3)27-8-4/h5-24H2,1-4H3",FZMJEGJVKFTGMU-UHFFFAOYSA-N,C24H52O3Si,416.8,416.3685721,,27.7,283,0,0,3,23,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GADOLINIUM CHLORIDE HYDRATE,019423-81-5,186043,gadolinium(3+);trichloride;hydrate,O.[Cl-].[Cl-].[Cl-].[Gd+3],InChI=1S/3ClH.Gd.H2O/h3*1H;;1H2/q;;;+3;/p-3,SXVCBXHAHBCOMV-UHFFFAOYSA-K,Cl3GdH2O,281.62,280.84123,,1,0,0,1,4,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-XYLOSE,000609-06-3,95259,"(2S,3R,4S)-2,3,4,5-tetrahydroxypentanal",C([C@@H]([C@H]([C@@H](C=O)O)O)O)O,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m1/s1",PYMYPHUHKUWMLA-WISUUJSJSA-N,C5H10O5,150.13,150.0528234,-2.3,98,104,0,4,5,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-PENTANESULFONIC ACID SODIUM,022767-49-3,23664617,sodium pentane-1-sulfonate,CCCCCS(=O)(=O)[O-].[Na+],"InChI=1S/C5H12O3S.Na/c1-2-3-4-5-9(6,7)8;/h2-5H2,1H3,(H,6,7,8);/q;+1/p-1",ROBLTDOHDSGGDT-UHFFFAOYSA-M,C5H11NaO3S,174.2,174.0326597,,65.6,147,0,0,3,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BUTANESULFONIC ACID SODIUM,002386-54-1,4096517,sodium butane-1-sulfonate,CCCCS(=O)(=O)[O-].[Na+],"InChI=1S/C4H10O3S.Na/c1-2-3-4-8(5,6)7;/h2-4H2,1H3,(H,5,6,7);/q;+1/p-1",XQCHMGAOAWZUPI-UHFFFAOYSA-M,C4H9NaO3S,160.17,160.0170096,,65.6,134,0,0,3,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PROPANESULFONIC ACID SODIUM,014533-63-2,4319363,sodium propane-1-sulfonate,CCCS(=O)(=O)[O-].[Na+],"InChI=1S/C3H8O3S.Na/c1-2-3-7(4,5)6;/h2-3H2,1H3,(H,4,5,6);/q;+1/p-1",NPAWNPCNZAPTKA-UHFFFAOYSA-M,C3H7NaO3S,146.14,146.0013595,,65.6,122,0,0,3,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(2-(2-CHLOROETHOXY)ETHOXY)ETHANOL,005197-62-6,78871,2-[2-(2-chloroethoxy)ethoxy]ethanol,C(COCCOCCCl)O,"InChI=1S/C6H13ClO3/c7-1-3-9-5-6-10-4-2-8/h8H,1-6H2",KECMLGZOQMJIBM-UHFFFAOYSA-N,C6H13ClO3,168.62,168.055322,-0.3,38.7,61,0,1,3,7,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ZINC NITRIDE,001313-49-1,12130759,zinc azanidylidenezinc,[N-]=[Zn].[N-]=[Zn].[Zn+2],InChI=1S/2N.3Zn/q2*-1;;;+2,AKJVMGQSGCSQBU-UHFFFAOYSA-N,N2Zn3,224.2,221.79047,,2,6,0,0,2,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TRIETHYLENETETRAMINE TETRAHYDROCHLORIDE,004961-40-4,71434,"N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride",C(CNCCNCCN)N.Cl.Cl.Cl.Cl,"InChI=1S/C6H18N4.4ClH/c7-1-3-9-5-6-10-4-2-8;;;;/h9-10H,1-8H2;4*1H",OKHMDSCYUWAQPT-UHFFFAOYSA-N,C6H22Cl4N4,292.1,292.056907,,76.1,49,0,8,4,7,14,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-AMINO-1-HEXANOL,004048-33-3,19960,6-aminohexan-1-ol,C(CCCO)CCN,"InChI=1S/C6H15NO/c7-5-3-1-2-4-6-8/h8H,1-7H2",SUTWPJHCRAITLU-UHFFFAOYSA-N,C6H15NO,117.19,117.1153641,0,46.3,39,0,2,2,5,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAPROPYLAMMONIUM CHLORIDE,005810-42-4,79880,tetrapropylazanium chloride,CCC[N+](CCC)(CCC)CCC.[Cl-],"InChI=1S/C12H28N.ClH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1",FBEVECUEMUUFKM-UHFFFAOYSA-M,C12H28ClN,221.81,221.1910276,,0,80,0,0,1,8,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DICHLOROETHYLENEDIAMINE PLATINUM II,014096-51-6,10903489,"dichloroplatinum;ethane-1,2-diamine",C(CN)N.Cl[Pt]Cl,InChI=1S/C2H8N2.2ClH.Pt/c3-1-2-4;;;/h1-4H2;2*1H;/q;;;+2/p-2,LMABILRJNNFCPG-UHFFFAOYSA-L,C2H8Cl2N2Pt,326.09,324.971248,,52,8,0,2,2,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMINOACETONITRILE BISULFATE,000151-63-3,196971,2-aminoacetonitrile;sulfuric acid,C(C#N)N.OS(=O)(=O)O,"InChI=1S/C2H4N2.H2O4S/c3-1-2-4;1-5(2,3)4/h1,3H2;(H2,1,2,3,4)",GTGIXCPOLMWQTC-UHFFFAOYSA-N,C2H6N2O4S,154.15,154.0048279,,133,121,0,3,6,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PALMITOLEIC ACID,000373-49-9,445638,(Z)-hexadec-9-enoic acid,CCCCCC/C=C\CCCCCCCC(=O)O,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-",SECPZKHBENQXJG-FPLPWBNLSA-N,C16H30O2,254.41,254.2245802,6.4,37.3,209,0,1,2,13,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MYRISTIC-D27 ACID,060658-41-5,16212357,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosadeuteriotetradecanoic acid",[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2",TUNFSRHWOTWDNC-RZVOLPTOSA-N,C14H28O2,255.54,255.3784023,5.3,37.3,155,0,1,2,12,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TITANIUM(IV) 2-ETHYLHEXOXIDE,001070-10-6,101956,tetrakis(2-ethylhexan-1-olate);titanium(4+),CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-].[Ti+4],"InChI=1S/4C8H17O.Ti/c4*1-3-5-6-8(4-2)7-9;/h4*8H,3-7H2,1-2H3;/q4*-1;+4",KTXWGMUMDPYXNN-UHFFFAOYSA-N,C32H68O4Ti,564.7,564.4597013,,92.2,52,0,0,4,20,37,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TRIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)LANTHANUM",014319-13-2,72376397,"tris((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);lanthanum",CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.[La],"InChI=1S/3C11H20O2.La/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/b3*8-7-;",VTNJXVDFRGBYJC-LWTKGLMZSA-N,C33H60LaO6,691.7,691.345353,,112,801,0,3,6,9,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
10-NONADECANONE,000504-57-4,10441,nonadecan-10-one,CCCCCCCCCC(=O)CCCCCCCCC,"InChI=1S/C19H38O/c1-3-5-7-9-11-13-15-17-19(20)18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3",YUPOCHDBBHTUBJ-UHFFFAOYSA-N,C19H38O,282.5,282.2922658,8.1,17.1,178,0,0,1,16,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CREATINE ANHYDROUS,000057-00-1,586,2-[carbamimidoyl(methyl)amino]acetic acid,CN(CC(=O)O)C(=N)N,"InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)",CVSVTCORWBXHQV-UHFFFAOYSA-N,C4H9N3O2,131.13,131.0694765,-1.2,90.4,134,0,3,3,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMOOCTANE,000557-35-7,79046,2-bromooctane,CCCCCCC(C)Br,"InChI=1S/C8H17Br/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3",FTJHYGJLHCGQHQ-UHFFFAOYSA-N,C8H17Br,193.12,192.05136,4.3,0,52,0,0,0,5,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
MESACONIC ACID,000498-24-8,638129,(E)-2-methylbut-2-enedioic acid,C/C(=C\C(=O)O)/C(=O)O,"InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+",HNEGQIOMVPPMNR-NSCUHMNNSA-N,C5H6O4,130.1,130.0266087,-0.1,74.6,168,0,2,4,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PERLITE,093763-70-3,121596494,hexaaluminum;dipotassium;disodium;(dioxosilane);undecakis(oxygen(2-));pentahydrate,O.O.O.O.O.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.[Na+].[Na+].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[K+].[K+],InChI=1S/6Al.2K.2Na.30O2Si.5H2O.11O/c;;;;;;;;;;30*1-3-2;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;5*1H2;;;;;;;;;;;/q6*+3;4*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;11*-2,SJLSAERUORZACY-UHFFFAOYSA-N,Al6H10K2Na2O76Si30,2354.6,2351.795308,,1040,18,0,5,76,0,116,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GALLIUM(III) ETHOXIDE,002572-25-0,86617037,gallium ethanolate,CC[O-].CC[O-].CC[O-].[Ga+3],"InChI=1S/3C2H5O.Ga/c3*1-2-3;/h3*2H2,1H3;/q3*-1;+3",USLHPQORLCHMOC-UHFFFAOYSA-N,C6H15GaO3,204.9,204.02769,,69.2,2,0,0,3,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
METHANESULFONAMIDE,003144-09-0,72879,methanesulfonamide,CS(=O)(=O)N,"InChI=1S/CH5NO2S/c1-5(2,3)4/h1H3,(H2,2,3,4)",HNQIVZYLYMDVSB-UHFFFAOYSA-N,CH5NO2S,95.12,95.00409958,-1.1,68.5,95,0,1,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CALCIUM PYROPHOSPHATE,007790-76-3,24632,dicalcium;phosphonato phosphate,[O-]P(=O)([O-])OP(=O)([O-])[O-].[Ca+2].[Ca+2],"InChI=1S/2Ca.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+2;/p-4",JUNWLZAGQLJVLR-UHFFFAOYSA-J,Ca2O7P2,254.1,253.837108,,136,124,0,0,7,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIMETHYLAMINE N-OXIDE DIHYDRATE,062637-93-8,198430,"N,N-dimethylmethanamine oxide;dihydrate",C[N+](C)(C)[O-].O.O,"InChI=1S/C3H9NO.2H2O/c1-4(2,3)5;;/h1-3H3;2*1H2",PGFPZGKEDZGJQZ-UHFFFAOYSA-N,C3H13NO3,111.14,111.0895433,,20.1,28,0,2,3,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-IODOOCTANE,000629-27-6,12380,1-iodooctane,CCCCCCCCI,"InChI=1S/C8H17I/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3",UWLHSHAHTBJTBA-UHFFFAOYSA-N,C8H17I,240.12,240.0375,5.2,0,43,0,0,0,6,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DL-MALIC ACID DISODIUM,000676-46-0,8736,disodium;2-hydroxybutanedioate,C(C(C(=O)[O-])O)C(=O)[O-].[Na+].[Na+],"InChI=1S/C4H6O5.2Na/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);;/q;2*+1/p-2",WPUMTJGUQUYPIV-UHFFFAOYSA-L,C4H4Na2O5,178.05,177.9854118,,100,118,0,1,5,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMOETHYL ACETATE,000927-68-4,13564,2-bromoethyl acetate,CC(=O)OCCBr,"InChI=1S/C4H7BrO2/c1-4(6)7-3-2-5/h2-3H2,1H3",RGHQKFQZGLKBCF-UHFFFAOYSA-N,C4H7BrO2,167,165.96294,0.9,26.3,62,0,0,2,3,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(R)-(-)-2-OCTANOL,005978-70-1,80080,(2R)-octan-2-ol,CCCCCC[C@@H](C)O,"InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3/t8-/m1/s1",SJWFXCIHNDVPSH-MRVPVSSYSA-N,C8H18O,130.23,130.1357652,2.9,20.2,52,0,1,1,5,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MONOBUTYRIN,026999-06-4,11188,"2,3-dihydroxypropyl butanoate",CCCC(=O)OCC(CO)O,"InChI=1S/C7H14O4/c1-2-3-7(10)11-5-6(9)4-8/h6,8-9H,2-5H2,1H3",RIEABXYBQSLTFR-UHFFFAOYSA-N,C7H14O4,162.18,162.0892089,-0.2,66.8,113,0,2,4,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHYLENE GLYCOL DIACETATE,000628-68-2,69411,2-(2-acetyloxyethoxy)ethyl acetate,CC(=O)OCCOCCOC(=O)C,"InChI=1S/C8H14O5/c1-7(9)12-5-3-11-4-6-13-8(2)10/h3-6H2,1-2H3",UBPGILLNMDGSDS-UHFFFAOYSA-N,C8H14O5,190.19,190.0841235,-0.1,61.8,148,0,0,5,8,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BIS(2-IODOETHOXY)ETHANE",036839-55-1,593436,"1,2-bis(2-iodoethoxy)ethane",C(COCCI)OCCI,InChI=1S/C6H12I2O2/c7-1-3-9-5-6-10-4-2-8/h1-6H2,BCAGFJXMCZSAHD-UHFFFAOYSA-N,C6H12I2O2,369.97,369.89267,2.2,18.5,53,0,0,2,7,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"LANTHANUM CHLORIDE, HEPTAHYDRATE",010025-84-0,165791,lanthanum(3+);trichloride;heptahydrate,O.O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[La+3],InChI=1S/3ClH.La.7H2O/h3*1H;;7*1H2/q;;;+3;;;;;;;/p-3,FDFPDGIMPRFRJP-UHFFFAOYSA-K,Cl3H14LaO7,371.37,369.886874,,7,0,0,7,10,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRANS-3-HEXENEDIOIC ACID,004436-74-2,5351896,(E)-hex-3-enedioic acid,C(/C=C/CC(=O)O)C(=O)O,"InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1-2H,3-4H2,(H,7,8)(H,9,10)/b2-1+",YHGNXQAFNHCBTK-OWOJBTEDSA-N,C6H8O4,144.12,144.0422587,-0.1,74.6,141,0,2,4,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
BIS(2-ETHOXYETHYL)ADIPATE,000109-44-4,7987,bis(2-ethoxyethyl) hexanedioate,CCOCCOC(=O)CCCCC(=O)OCCOCC,"InChI=1S/C14H26O6/c1-3-17-9-11-19-13(15)7-5-6-8-14(16)20-12-10-18-4-2/h3-12H2,1-2H3",NJEMMCIKSMMBDM-UHFFFAOYSA-N,C14H26O6,290.35,290.1729385,1,71.1,228,0,0,6,15,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,6-DIOXOHEPTANOIC ACID",051568-18-4,5312,"4,6-dioxoheptanoic acid",CC(=O)CC(=O)CCC(=O)O,"InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)",WYEPBHZLDUPIOD-UHFFFAOYSA-N,C7H10O4,158.15,158.0579088,-0.8,71.4,183,0,1,4,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ISOPROPYL MYRISTATE,000110-27-0,8042,propan-2-yl tetradecanoate,CCCCCCCCCCCCCC(=O)OC(C)C,"InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3",AXISYYRBXTVTFY-UHFFFAOYSA-N,C17H34O2,270.5,270.2558803,7.2,26.3,199,0,0,2,14,19,,588 K (315 °C) at 760 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ETHYLENEGLYCOL MONOOLEATE,004500-01-0,5364420,2-hydroxyethyl (Z)-octadec-9-enoate,CCCCCCCC/C=C\CCCCCCCC(=O)OCCO,"InChI=1S/C20H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h9-10,21H,2-8,11-19H2,1H3/b10-9-",MUHFRORXWCGZGE-KTKRTIGZSA-N,C20H38O3,326.5,326.2820951,6.9,46.5,274,0,1,3,18,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
OLEYL AMIDO BETAINE,025054-76-6,6436555,2-[dimethyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]azaniumyl]acetate,CCCCCCCC/C=C\CCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-],"InChI=1S/C25H48N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24(28)26-21-19-22-27(2,3)23-25(29)30/h11-12H,4-10,13-23H2,1-3H3,(H-,26,28,29,30)/b12-11-",ZKWJQNCOTNUNMF-QXMHVHEDSA-N,C25H48N2O3,424.7,424.3664934,7.7,69.2,456,0,1,3,20,30,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
YTTRIUM ACETATE,023363-14-6,168102,yttrium(3+) triacetate,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Y+3],"InChI=1S/3C2H4O2.Y/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",JUWHRRAPBUAYTA-UHFFFAOYSA-K,C6H9O6Y,266.04,265.945751,,120,25,0,0,6,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-HYDROXY-3-METHYLGLUTARIC ACID,000503-49-1,1662,3-hydroxy-3-methylpentanedioic acid,CC(CC(=O)O)(CC(=O)O)O,"InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)",NPOAOTPXWNWTSH-UHFFFAOYSA-N,C6H10O5,162.14,162.0528234,-1.2,94.8,158,0,3,5,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
STEARAMIDOETHYL DIETHYLAMINE,016889-14-8,24091,N-[2-(diethylamino)ethyl]octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCCN(CC)CC,"InChI=1S/C24H50N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26(5-2)6-3/h4-23H2,1-3H3,(H,25,27)",KKBOOQDFOWZSDC-UHFFFAOYSA-N,C24H50N2O,382.7,382.3923142,8.7,32.3,303,0,1,2,21,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
SULFATED ISOPROPYLOLEATE SODIUM SALT,014350-72-2,23668758,sodium (1-oxo-1-propan-2-yloxyoctadecan-9-yl) sulfate,CCCCCCCCCC(CCCCCCCC(=O)OC(C)C)OS(=O)(=O)[O-].[Na+],"InChI=1S/C21H42O6S.Na/c1-4-5-6-7-8-10-13-16-20(27-28(23,24)25)17-14-11-9-12-15-18-21(22)26-19(2)3;/h19-20H,4-18H2,1-3H3,(H,23,24,25);/q;+1/p-1",ZXROQEDKUJSDFM-UHFFFAOYSA-M,C21H41NaO6S,444.6,444.2521545,,101,476,0,0,6,20,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM ISOSTEAROYL-2-LACTYLATE,066988-04-3,23662614,sodium 2-[2-(16-methylheptadecanoyloxy)propanoyloxy]propanoate,CC(C)CCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-].[Na+],"InChI=1S/C24H44O6.Na/c1-19(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-22(25)29-21(4)24(28)30-20(3)23(26)27;/h19-21H,5-18H2,1-4H3,(H,26,27);/q;+1/p-1",FOSNFLMXYRQNAF-UHFFFAOYSA-M,C24H43NaO6,450.6,450.2957334,,92.7,481,0,0,6,21,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM LAURATE,010124-65-9,23675775,potassium dodecanoate,CCCCCCCCCCCC(=O)[O-].[K+],"InChI=1S/C12H24O2.K/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);/q;+1/p-1",HIDKSOTTZRMUML-UHFFFAOYSA-M,C12H23KO2,238.41,238.1335115,,40.1,138,0,0,2,10,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM LINOLEATE,000822-17-3,23676150,"sodium (9Z,12Z)-octadeca-9,12-dienoate",CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].[Na+],"InChI=1S/C18H32O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;+1/p-1/b7-6-,10-9-;",WYPBVHPKMJYUEO-NBTZWHCOSA-M,C18H31NaO2,302.4,302.2221745,,40.1,272,0,0,2,14,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM CAPRATE,013040-18-1,23688501,potassium decanoate,CCCCCCCCCC(=O)[O-].[K+],"InChI=1S/C10H20O2.K/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);/q;+1/p-1",QDIGBJJRWUZARS-UHFFFAOYSA-M,C10H19KO2,210.35,210.1022113,,40.1,115,0,0,2,8,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM PALMITATE,002624-31-9,23676743,potassium hexadecanoate,CCCCCCCCCCCCCCCC(=O)[O-].[K+],"InChI=1S/C16H32O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);/q;+1/p-1",MQOCIYICOGDBSG-UHFFFAOYSA-M,C16H31KO2,294.51,294.1961117,,40.1,184,0,0,2,14,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TRIETHANOLAMINE OLEATE,002717-15-9,6433344,2-[bis(2-hydroxyethyl)amino]ethanol;(Z)-octadec-9-enoic acid,CCCCCCCC/C=C\CCCCCCCC(=O)O.C(CO)N(CCO)CCO,"InChI=1S/C18H34O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-4-1-7(2-5-9)3-6-10/h9-10H,2-8,11-17H2,1H3,(H,19,20);8-10H,1-6H2/b10-9-;",ICLYJLBTOGPLMC-KVVVOXFISA-N,C24H49NO5,431.6,431.3610737,,101,289,0,4,6,21,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
8-METHYLNONANOIC ACID,005963-14-4,111470,8-methylnonanoic acid,CC(C)CCCCCCC(=O)O,"InChI=1S/C10H20O2/c1-9(2)7-5-3-4-6-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)",OAOABCKPVCUNKO-UHFFFAOYSA-N,C10H20O2,172.26,172.1463299,3.8,37.3,119,0,1,2,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
10-METHYLHENDECANOIC ACID,002724-56-3,75942,10-methylundecanoic acid,CC(C)CCCCCCCCC(=O)O,"InChI=1S/C12H24O2/c1-11(2)9-7-5-3-4-6-8-10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14)",QJRRBVNPIKYRQJ-UHFFFAOYSA-N,C12H24O2,200.32,200.17763,4.9,37.3,141,0,1,2,9,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
12-METHYLTETRADECANOIC ACID,005502-94-3,21672,12-methyltetradecanoic acid,CCC(C)CCCCCCCCCCC(=O)O,"InChI=1S/C15H30O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)",XKLJLHAPJBUBNL-UHFFFAOYSA-N,C15H30O2,242.4,242.2245802,5.5,37.3,178,0,1,2,12,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
7-OCTENYLTRIMETHOXYSILANE,052217-57-9,104124,trimethoxy(oct-7-enyl)silane,CO[Si](CCCCCCC=C)(OC)OC,"InChI=1S/C11H24O3Si/c1-5-6-7-8-9-10-11-15(12-2,13-3)14-4/h5H,1,6-11H2,2-4H3",RKLXSINPXIQKIB-UHFFFAOYSA-N,C11H24O3Si,232.39,232.1494712,,27.7,150,0,0,3,10,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
D-GLUTAMINE,005959-95-5,145815,"(2R)-2,5-diamino-5-oxopentanoic acid",C(CC(=O)N)[C@H](C(=O)O)N,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1",ZDXPYRJPNDTMRX-GSVOUGTGSA-N,C5H10N2O3,146.14,146.0691422,-3.1,106,146,0,3,4,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NEODYMIUM ACETATE,006192-13-8,22567,neodymium(3+) triacetate,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Nd+3],"InChI=1S/3C2H4O2.Nd/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",KETUDCKOKOGBJB-UHFFFAOYSA-K,C6H9NdO6,321.37,318.94764,,120,25,0,0,6,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PLUS-MINUS-CITRAMALIC ACID SODIUM,102601-31-0,1081,2-hydroxy-2-methylbutanedioic acid,CC(CC(=O)O)(C(=O)O)O,"InChI=1S/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)",XFTRTWQBIOMVPK-UHFFFAOYSA-N,C5H8O5,148.11,148.0371734,-0.9,94.8,163,0,3,5,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-METHYLADIPIC ACID,003058-01-3,12292,3-methylhexanedioic acid,CC(CCC(=O)O)CC(=O)O,"InChI=1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)",SYEOWUNSTUDKGM-UHFFFAOYSA-N,C7H12O4,160.17,160.0735589,0.4,74.6,153,0,2,4,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-DIBROMO-1,1-DIFLUOROETHANE",000075-82-1,6402,"1,2-dibromo-1,1-difluoroethane",C(C(F)(F)Br)Br,"InChI=1S/C2H2Br2F2/c3-1-2(4,5)6/h1H2",DPOZWTRVXPUOQW-UHFFFAOYSA-N,C2H2Br2F2,223.84,223.84708,2.5,0,44,0,0,2,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHYTANIC ACID,014721-66-5,26840,"3,7,11,15-tetramethylhexadecanoic acid",CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)O,"InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)",RLCKHJSFHOZMDR-UHFFFAOYSA-N,C20H40O2,312.5,312.3028305,8.3,37.3,273,0,1,2,14,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIZMA ACETATE,006850-28-8,16218782,"acetic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol",CC(=O)O.C(C(CO)(CO)N)O,"InChI=1S/C4H11NO3.C2H4O2/c5-4(1-6,2-7)3-8;1-2(3)4/h6-8H,1-3,5H2;1H3,(H,3,4)",PIEPQKCYPFFYMG-UHFFFAOYSA-N,C6H15NO5,181.19,181.0950226,,124,85,0,5,6,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5,7-DIOXOOCTANOIC ACID",051568-19-5,318731,"5,7-dioxooctanoic acid",CC(=O)CC(=O)CCCC(=O)O,"InChI=1S/C8H12O4/c1-6(9)5-7(10)3-2-4-8(11)12/h2-5H2,1H3,(H,11,12)",JOQHEPMHRUHJFD-UHFFFAOYSA-N,C8H12O4,172.18,172.0735589,-0.4,71.4,195,0,1,4,6,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIZMA SUCCINATE,085169-32-0,3086186,"bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);butanedioic acid",C(CC(=O)O)C(=O)O.C(C(CO)(CO)N)O.C(C(CO)(CO)N)O,"InChI=1S/2C4H11NO3.C4H6O4/c2*5-4(1-6,2-7)3-8;5-3(6)1-2-4(7)8/h2*6-8H,1-3,5H2;1-2H2,(H,5,6)(H,7,8)",CFJZQNZZGQDONE-UHFFFAOYSA-N,C12H28N2O10,360.36,360.1743951,,248,147,0,10,12,9,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAPROPYLAMMONIUM IODIDE,000631-40-3,12429,tetrapropylazanium iodide,CCC[N+](CCC)(CCC)CCC.[I-],"InChI=1S/C12H28N.HI/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1",GKXDJYKZFZVASJ-UHFFFAOYSA-M,C12H28IN,313.26,313.12665,,0,80,0,0,1,8,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CYANOPROPYLTRIETHOXYSILANE,001067-47-6,14024,4-triethoxysilylbutanenitrile,CCO[Si](CCCC#N)(OCC)OCC,"InChI=1S/C10H21NO3Si/c1-4-12-15(13-5-2,14-6-3)10-8-7-9-11/h4-8,10H2,1-3H3",VGIURMCNTDVGJM-UHFFFAOYSA-N,C10H21NO3Si,231.36,231.1290701,,51.5,185,0,0,4,9,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DL-A-HYDROXYISOVALERIC ACID,000600-37-3,99823,2-hydroxy-3-methylbutanoic acid,CC(C)C(C(=O)O)O,"InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)",NGEWQZIDQIYUNV-UHFFFAOYSA-N,C5H10O3,118.13,118.0629942,0.5,57.5,87,0,2,3,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NERVONIC ACID,000506-37-6,5281120,(Z)-tetracos-15-enoic acid,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O,"InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9-",GWHCXVQVJPWHRF-KTKRTIGZSA-N,C24H46O2,366.6,366.3497807,9.8,37.3,309,0,1,2,21,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NEODYMIUM(III) ACETATE HYDRATE,334869-71-5,167312550,acetic acid;neodymium(3+);hydrate,CC(=O)O.CC(=O)O.CC(=O)O.O.[Nd+3],"InChI=1S/3C2H4O2.Nd.H2O/c3*1-2(3)4;;/h3*1H3,(H,3,4);;1H2/q;;;+3;",GMQPBTKWMZBSCT-UHFFFAOYSA-N,C6H14NdO7+3,342.41,339.98168,,113,31,3,4,7,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM THIOACETATE,010387-40-3,4463282,potassium ethanethioate,CC(=O)[S-].[K+],"InChI=1S/C2H4OS.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",AFNBMGLGYSGFEZ-UHFFFAOYSA-M,C2H3KOS,114.21,113.9541674,,18.1,36,0,0,2,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DL-B-HYDROXYCAPRIC ACID,005561-87-5,26612,3-hydroxydecanoic acid,CCCCCCCC(CC(=O)O)O,"InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)",FYSSBMZUBSBFJL-UHFFFAOYSA-N,C10H20O3,188.26,188.1412445,2.5,57.5,134,0,2,3,8,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(2-HYDROXYPROPYL) METHACRYLAMIDE,021442-01-3,38622,N-(2-hydroxypropyl)-2-methylprop-2-enamide,CC(CNC(=O)C(=C)C)O,"InChI=1S/C7H13NO2/c1-5(2)7(10)8-4-6(3)9/h6,9H,1,4H2,2-3H3,(H,8,10)",OKPYIWASQZGASP-UHFFFAOYSA-N,C7H13NO2,143.18,143.0946287,0.3,49.3,143,0,2,2,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-HEXANESULFONIC ACID, SODIUM SALT MONOHYDRATE",002832-45-3,45051861,,CCCCCCS(=O)(=O)O.[Na],"InChI=1S/C6H14O3S.Na/c1-2-3-4-5-6-10(7,8)9;/h2-6H2,1H3,(H,7,8,9);",PSFLWCHUBVMPRM-UHFFFAOYSA-N,C6H14NaO3S,189.23,189.0561348,,62.8,154,0,1,3,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CYANOETHYLTRIETHOXYSILANE,000919-31-3,13522,3-triethoxysilylpropanenitrile,CCO[Si](CCC#N)(OCC)OCC,"InChI=1S/C9H19NO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-7,9H2,1-3H3",GBQYMXVQHATSCC-UHFFFAOYSA-N,C9H19NO3Si,217.34,217.11342,,51.5,173,0,0,4,8,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
N-METHYL-3-AMINOPROPYLTRIMETHOXYSILANE,003069-25-8,76480,N-methyl-3-trimethoxysilylpropan-1-amine,CNCCC[Si](OC)(OC)OC,"InChI=1S/C7H19NO3Si/c1-8-6-5-7-12(9-2,10-3)11-4/h8H,5-7H2,1-4H3",DVYVMJLSUSGYMH-UHFFFAOYSA-N,C7H19NO3Si,193.32,193.11342,,39.7,101,0,1,4,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3'-THIODIPROPANOL",010595-09-2,66358,3-(3-hydroxypropylsulfanyl)propan-1-ol,C(CO)CSCCCO,"InChI=1S/C6H14O2S/c7-3-1-5-9-6-2-4-8/h7-8H,1-6H2",QRQVZZMTKYXEKC-UHFFFAOYSA-N,C6H14O2S,150.24,150.0714509,0.2,65.8,44,0,2,3,6,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2,3,3-TETRAFLUORO-1,4-BUTANEDIOL",000425-61-6,136270,"2,2,3,3-tetrafluorobutane-1,4-diol",C(C(C(CO)(F)F)(F)F)O,"InChI=1S/C4H6F4O2/c5-3(6,1-9)4(7,8)2-10/h9-10H,1-2H2",CDZXJJOGDCLNKX-UHFFFAOYSA-N,C4H6F4O2,162.08,162.0303921,0.1,40.5,99,0,2,6,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
9-BROMO-1-NONANOL,055362-80-6,108700,9-bromononan-1-ol,C(CCCCO)CCCCBr,"InChI=1S/C9H19BrO/c10-8-6-4-2-1-3-5-7-9-11/h11H,1-9H2",USJDOLXCPFASNV-UHFFFAOYSA-N,C9H19BrO,223.15,222.06193,3.4,20.2,66,0,1,1,8,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PALMITOLEIC ACID METHYL ESTER,001120-25-8,643801,methyl (Z)-hexadec-9-enoate,CCCCCC/C=C\CCCCCCCC(=O)OC,"InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8-",IZFGRAGOVZCUFB-HJWRWDBZSA-N,C17H32O2,268.4,268.2402303,6.5,26.3,221,0,0,2,14,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NERVONIC ACID METHYL ESTER,002733-88-2,5364841,methyl (Z)-tetracos-15-enoate,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC,"InChI=1S/C25H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h10-11H,3-9,12-24H2,1-2H3/b11-10-",AINIZSBLAFHZCP-KHPPLWFESA-N,C25H48O2,380.6,380.3654308,10.8,26.3,322,0,0,2,22,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CIS-VACCENIC ACID,000506-17-2,5282761,(Z)-octadec-11-enoic acid,CCCCCC/C=C\CCCCCCCCCC(=O)O,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-",UWHZIFQPPBDJPM-FPLPWBNLSA-N,C18H34O2,282.5,282.2558803,6.5,37.3,234,0,1,2,15,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
11-MERCAPTOUNDECANOIC ACID,071310-21-9,543502,11-sulfanylundecanoic acid,C(CCCCCS)CCCCC(=O)O,"InChI=1S/C11H22O2S/c12-11(13)9-7-5-3-1-2-4-6-8-10-14/h14H,1-10H2,(H,12,13)",GWOLZNVIRIHJHB-UHFFFAOYSA-N,C11H22O2S,218.36,218.1340511,4,38.3,137,0,2,3,10,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-HOMOCYSTEINESULFINIC ACID,002686-70-6,75896,(2S)-2-amino-4-sulfinobutanoic acid,C(CS(=O)O)[C@@H](C(=O)O)N,"InChI=1S/C4H9NO4S/c5-3(4(6)7)1-2-10(8)9/h3H,1-2,5H2,(H,6,7)(H,8,9)/t3-/m0/s1",PDNJLMZEGXHSCU-VKHMYHEASA-N,C4H9NO4S,167.19,167.0252289,-3.8,120,148,0,3,6,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-CYSTEINESULFINIC ACID,207121-48-0,16211766,(2R)-2-amino-3-sulfinopropanoic acid;hydrate,C([C@@H](C(=O)O)N)S(=O)O.O,"InChI=1S/C3H7NO4S.H2O/c4-2(3(5)6)1-9(7)8;/h2H,1,4H2,(H,5,6)(H,7,8);1H2/t2-;/m0./s1",YQIXTMZYGQXTCZ-DKWTVANSSA-N,C3H9NO5S,171.17,171.0201436,,121,136,0,4,7,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
UNDECYL CYANIDE,002437-25-4,17092,dodecanenitrile,CCCCCCCCCCCC#N,"InChI=1S/C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-11H2,1H3",VXCUURYYWGCLIH-UHFFFAOYSA-N,C12H23N,181.32,181.1830497,4.7,23.8,131,0,0,1,9,13,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
PERFLUORONONANE,000375-96-2,520856,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-icosafluorononane",C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C9F20/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)26)3(14,15)5(18,19)7(22,23)9(27,28)29",UVWPNDVAQBNQBG-UHFFFAOYSA-N,C9F20,488.06,487.9680632,7.1,0,548,0,0,20,6,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CIS-10-NONADECENOIC ACID,073033-09-7,5312513,(Z)-nonadec-10-enoic acid,CCCCCCCC/C=C\CCCCCCCCC(=O)O,"InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h9-10H,2-8,11-18H2,1H3,(H,20,21)/b10-9-",BBOWBNGUEWHNQZ-KTKRTIGZSA-N,C19H36O2,296.5,296.2715304,7.1,37.3,246,0,1,2,16,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CIS-10-HEPTADECENOIC ACID,029743-97-3,5312435,(Z)-heptadec-10-enoic acid,CCCCCC/C=C\CCCCCCCCC(=O)O,"InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h7-8H,2-6,9-16H2,1H3,(H,18,19)/b8-7-",GDTXICBNEOEPAZ-FPLPWBNLSA-N,C17H32O2,268.4,268.2402303,6.9,37.3,221,0,1,2,14,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(3-AMINOPROPYL)-2-METHYL-2-PROPENAMIDE MONOHYDROCHLORIDE,072607-53-5,10375005,N-(3-aminopropyl)-2-methylprop-2-enamide;hydrochloride,CC(=C)C(=O)NCCCN.Cl,"InChI=1S/C7H14N2O.ClH/c1-6(2)7(10)9-5-3-4-8;/h1,3-5,8H2,2H3,(H,9,10);1H",XHIRWEVPYCTARV-UHFFFAOYSA-N,C7H15ClN2O,178.66,178.0872908,,55.1,132,0,3,2,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
HEXADECANEDIOIC ACID,000505-54-4,10459,hexadecanedioic acid,C(CCCCCCCC(=O)O)CCCCCCC(=O)O,"InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)",QQHJDPROMQRDLA-UHFFFAOYSA-N,C16H30O4,286.41,286.2144094,5.4,74.6,225,0,2,4,15,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-NONANETHIOL,001455-21-6,15077,nonane-1-thiol,CCCCCCCCCS,"InChI=1S/C9H20S/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3",ZVEZMVFBMOOHAT-UHFFFAOYSA-N,C9H20S,160.32,160.1285718,5.2,1,52,0,1,1,7,10,78 °C,220 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
17-METHYLSTEARIC ACID,002724-59-6,3083779,17-methyloctadecanoic acid,CC(C)CCCCCCCCCCCCCCCC(=O)O,"InChI=1S/C19H38O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)",YETXGSGCWODRAA-UHFFFAOYSA-N,C19H38O2,298.5,298.2871805,7.7,37.3,224,0,1,2,16,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
13-METHYLMYRISTIC ACID,002485-71-4,151014,13-methyltetradecanoic acid,CC(C)CCCCCCCCCCCC(=O)O,"InChI=1S/C15H30O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)",ZOCYQVNGROEVLU-UHFFFAOYSA-N,C15H30O2,242.4,242.2245802,5.5,37.3,176,0,1,2,12,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMO-2-METHYL-2-BUTENE,000870-63-3,70092,1-bromo-3-methylbut-2-ene,CC(=CCBr)C,"InChI=1S/C5H9Br/c1-5(2)3-4-6/h3H,4H2,1-2H3",LOYZVRIHVZEDMW-UHFFFAOYSA-N,C5H9Br,149.03,147.98876,2.5,0,51,0,0,0,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GERANYL BROMIDE,006138-90-5,5365867,"(2E)-1-bromo-3,7-dimethylocta-2,6-diene",CC(=CCC/C(=C/CBr)/C)C,"InChI=1S/C10H17Br/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3/b10-7+",JSCUZAYKVZXKQE-JXMROGBWSA-N,C10H17Br,217.15,216.05136,4.3,0,150,0,0,0,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-T-BOC-L-ALANINE,015761-38-3,85082,(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid,C[C@@H](C(=O)O)NC(=O)OC(C)(C)C,"InChI=1S/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m0/s1",QVHJQCGUWFKTSE-YFKPBYRVSA-N,C8H15NO4,189.21,189.100108,0.9,75.6,207,0,2,4,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-ALANINAMIDE HYDROCHLORIDE,033208-99-0,2775816,(2S)-2-aminopropanamide;hydrochloride,C[C@@H](C(=O)N)N.Cl,"InChI=1S/C3H8N2O.ClH/c1-2(4)3(5)6;/h2H,4H2,1H3,(H2,5,6);1H/t2-;/m0./s1",FIAINKIUSZGVGX-DKWTVANSSA-N,C3H9ClN2O,124.57,124.0403406,,69.1,61,0,3,2,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-CHLOROTETRADECANE,002425-54-9,17043,1-chlorotetradecane,CCCCCCCCCCCCCCCl,"InChI=1S/C14H29Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3",RNHWYOLIEJIAMV-UHFFFAOYSA-N,C14H29Cl,232.83,232.1957786,7.9,0,102,0,0,0,12,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-METHYL-2-PROPENE-1-SULFONIC ACID, SODIUM SALT",001561-92-8,23663624,sodium 2-methylprop-2-ene-1-sulfonate,CC(=C)CS(=O)(=O)[O-].[Na+],"InChI=1S/C4H8O3S.Na/c1-4(2)3-8(5,6)7;/h1,3H2,2H3,(H,5,6,7);/q;+1/p-1",SZHIIIPPJJXYRY-UHFFFAOYSA-M,C4H7NaO3S,158.15,158.0013595,,65.6,176,0,0,3,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
DECYLTRIMETHYLAMMONIUM BROMIDE,002082-84-0,16388,decyl(trimethyl)azanium bromide,CCCCCCCCCC[N+](C)(C)C.[Br-],"InChI=1S/C13H30N.BrH/c1-5-6-7-8-9-10-11-12-13-14(2,3)4;/h5-13H2,1-4H3;1H/q+1;/p-1",PLMFYJJFUUUCRZ-UHFFFAOYSA-M,C13H30BrN,280.29,279.15616,,0,113,0,0,1,9,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OLEIC ACID OLEYL ESTER,003687-45-4,5364672,[(Z)-octadec-9-enyl] (Z)-octadec-9-enoate,CCCCCCCC/C=C\CCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC,"InChI=1S/C36H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-35H2,1-2H3/b19-17-,20-18-",BARWIPMJPCRCTP-CLFAGFIQSA-N,C36H68O2,532.9,532.5219314,15.5,26.3,507,0,0,2,32,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMMONIUM DIETHYLDITHIOCARBAMATE,021124-33-4,88794,azane;diethylcarbamodithioic acid,CCN(CC)C(=S)S.N,"InChI=1S/C5H11NS2.H3N/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);1H3",JSYCNFYVINPILE-UHFFFAOYSA-N,C5H14N2S2,166.3,166.0598408,,37.3,78,0,2,3,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(TRIMETHYLSILYL) ACETAMIDE,013435-12-6,25989,N-trimethylsilylacetamide,CC(=O)N[Si](C)(C)C,"InChI=1S/C5H13NOSi/c1-5(7)6-8(2,3)4/h1-4H3,(H,6,7)",LWFWUJCJKPUZLV-UHFFFAOYSA-N,C5H13NOSi,131.25,131.0766406,,29.1,95,0,1,1,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CHROMIUM ACETYLACETONATE,021679-31-2,89012,chromium(3+);tris(4-oxopent-2-en-2-olate),CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Cr+3],"InChI=1S/3C5H8O2.Cr/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3",JWORPXLMBPOPPU-UHFFFAOYSA-K,C15H21CrO6,349.32,349.074318,,120,90,0,0,6,3,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL VALINATE HYDROCHLORIDE,006306-52-1,111190,methyl (2S)-2-amino-3-methylbutanoate;hydrochloride,CC(C)[C@@H](C(=O)OC)N.Cl,"InChI=1S/C6H13NO2.ClH/c1-4(2)5(7)6(8)9-3;/h4-5H,7H2,1-3H3;1H/t5-;/m0./s1",KUGLDBMQKZTXPW-JEDNCBNOSA-N,C6H14ClNO2,167.63,167.0713064,,52.3,101,0,2,3,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL L-ISOLEUCINATE HYDROCHLORIDE,018598-74-8,11171351,"methyl (2S,3S)-2-amino-3-methylpentanoate;hydrochloride",CC[C@H](C)[C@@H](C(=O)OC)N.Cl,"InChI=1S/C7H15NO2.ClH/c1-4-5(2)6(8)7(9)10-3;/h5-6H,4,8H2,1-3H3;1H/t5-,6-;/m0./s1",GGTBEWGOPAFTTH-GEMLJDPKSA-N,C7H16ClNO2,181.66,181.0869564,,52.3,114,0,2,3,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CESIUM METHANESULFONATE,002550-61-0,5148066,cesium methanesulfonate,CS(=O)(=O)[O-].[Cs+],"InChI=1S/CH4O3S.Cs/c1-5(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1",DJKJXRLREATOMF-UHFFFAOYSA-M,CH3CsO3S,228.01,227.8857421,,65.6,96,0,0,3,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ZEOLITE MS 5A,069912-79-4,19758701,aluminum;sodium;bis(dioxido(oxo)silane),[O-][Si](=O)[O-].[O-][Si](=O)[O-].[Na+].[Al+3],InChI=1S/Al.Na.2O3Si/c;;2*1-4(2)3/q+3;+1;2*-2,URGAHOPLAPQHLN-UHFFFAOYSA-N,AlNaO6Si2,202.14,201.8946485,,126,18,0,0,6,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIDODECYLDIMETHYLAMMONIUM BROMIDE,003282-73-3,18669,didodecyl(dimethyl)azanium bromide,CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-],"InChI=1S/C26H56N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;/h5-26H2,1-4H3;1H/q+1;/p-1",XRWMGCFJVKDVMD-UHFFFAOYSA-M,C26H56BrN,462.6,461.35961,,0,245,0,0,1,22,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIMETHYLMALONIC ACID,000595-46-0,11686,"2,2-dimethylpropanedioic acid",CC(C)(C(=O)O)C(=O)O,"InChI=1S/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9)",OREAFAJWWJHCOT-UHFFFAOYSA-N,C5H8O4,132.11,132.0422587,0.4,74.6,131,0,2,4,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-LEUCINE T-BUTYL ESTER HYDROCHLORIDE,002748-02-9,12451443,tert-butyl (2S)-2-amino-4-methylpentanoate;hydrochloride,CC(C)C[C@@H](C(=O)OC(C)(C)C)N.Cl,"InChI=1S/C10H21NO2.ClH/c1-7(2)6-8(11)9(12)13-10(3,4)5;/h7-8H,6,11H2,1-5H3;1H/t8-;/m0./s1",RFUWRXIYTQGFGA-QRPNPIFTSA-N,C10H22ClNO2,223.74,223.1339066,,52.3,170,0,2,3,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
YTTRIUM SULFATE OCTAHYDRATE,007446-33-5,165608,bis(yttrium(3+));trisulfate;octahydrate,O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Y+3].[Y+3],"InChI=1S/3H2O4S.8H2O.2Y/c3*1-5(2,3)4;;;;;;;;;;/h3*(H2,1,2,3,4);8*1H2;;/q;;;;;;;;;;;2*+3/p-6",OMBXBIHFXZAMLA-UHFFFAOYSA-H,H16O20S3Y2,610.1,609.751383,,274,62,0,8,20,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"POLY(DIMETHYLSILOXANE), BIS(HYDROXYALKYL) TERMINATED",156327-07-0,22558249,2-[3-[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethanol,C[Si](C)(CCCOCCO)O[Si](C)(C)CCCOCCO,"InChI=1S/C14H34O5Si2/c1-20(2,13-5-9-17-11-7-15)19-21(3,4)14-6-10-18-12-8-16/h15-16H,5-14H2,1-4H3",BGHSBLYBOOUZFE-UHFFFAOYSA-N,C14H34O5Si2,338.59,338.1944773,,68.2,226,0,2,5,14,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
YTTRIUM ACETYLACETONATE HYDRATE,207801-29-4,22836449,tris((Z)-4-hydroxypent-3-en-2-one);yttrium;hydrate,C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.O.[Y],"InChI=1S/3C5H8O2.H2O.Y/c3*1-4(6)3-5(2)7;;/h3*3,6H,1-2H3;1H2;/b3*4-3-;;",XTPGSXBDDAFYGV-KJVLTGTBSA-N,C15H26O7Y,407.27,407.073691,,113,103,0,4,7,3,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"STEARIC-2,2-D2 ACID",019905-58-9,12346568,"2,2-dideuteriooctadecanoic acid",[2H]C([2H])(CCCCCCCCCCCCCCCC)C(=O)O,"InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/i17D2",QIQXTHQIDYTFRH-FBCWWBABSA-N,C18H36O2,286.5,286.2840839,7.4,37.3,202,0,1,2,16,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1H,1H-PERFLUORO-1-DECANOL",000307-37-9,2733275,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecan-1-ol",C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C10H3F19O/c11-2(12,1-30)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h30H,1H2",NIRPXSQCRWXHNZ-UHFFFAOYSA-N,C10H3F19O,500.1,499.9880498,6,20.2,628,0,1,20,8,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRI-T-BUTOXYSILANOL,018166-43-3,316157,hydroxy-tris[(2-methylpropan-2-yl)oxy]silane,CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C,"InChI=1S/C12H28O4Si/c1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9/h13H,1-9H3",HLDBBQREZCVBMA-UHFFFAOYSA-N,C12H28O4Si,264.43,264.1756859,,47.9,204,0,1,4,6,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIETHOXYSILYLPROPYLETHYLCARBAMATE,017945-05-0,87367,ethyl N-(3-triethoxysilylpropyl)carbamate,CCOC(=O)NCCC[Si](OCC)(OCC)OCC,"InChI=1S/C12H27NO5Si/c1-5-15-12(14)13-10-9-11-19(16-6-2,17-7-3)18-8-4/h5-11H2,1-4H3,(H,13,14)",MVUXVDIFQSGECB-UHFFFAOYSA-N,C12H27NO5Si,293.43,293.1658495,,66,223,0,1,5,12,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SAMARIUM (III) BROMIDE, ANHYDROUS",013759-87-0,83706,tribromosamarium,Br[Sm](Br)Br,InChI=1S/3BrH.Sm/h3*1H;/q;;;+3/p-3,ICKYUJFKBKOPJT-UHFFFAOYSA-K,Br3Sm,390.1,390.6727,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(N-ETHYLPERFLUOROOCTANESULFONAMIDO)ETHYL METHACRYLATE,000376-14-7,67823,"2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]ethyl 2-methylprop-2-enoate",CCN(CCOC(=O)C(=C)C)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C16H14F17NO4S/c1-4-34(5-6-38-8(35)7(2)3)39(36,37)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31/h2,4-6H2,1,3H3",DBCGADAHIXJHCE-UHFFFAOYSA-N,C16H14F17NO4S,639.3,639.0372079,6.6,72.1,1030,0,0,22,14,39,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HOLMIUM ACETATE,025519-09-9,168384,holmium(3+) triacetate,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Ho+3],"InChI=1S/3C2H4O2.Ho/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",HWQRVFRWLQGBFV-UHFFFAOYSA-K,C6H9HoO6,342.06,341.970242,,120,25,0,0,6,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TERBIUM ACETATE,025519-07-7,168383,terbium(3+) triacetate,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Tb+3],"InChI=1S/3C2H4O2.Tb/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",JQBILSNVGUAPMM-UHFFFAOYSA-K,C6H9O6Tb,336.06,335.96527,,120,25,0,0,6,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
THULIUM(III) ACETATE,039156-80-4,170163,thulium(3+) triacetate,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Tm+3],"InChI=1S/3C2H4O2.Tm/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",SNMVVAHJCCXTQR-UHFFFAOYSA-K,C6H9O6Tm,346.07,345.974132,,120,25,0,0,6,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(2-AMINOETHYL)TRIMETHYLAMMONIUM CHLORIDE HYDROCHLORIDE,003399-67-5,16211104,2-aminoethyl(trimethyl)azanium;chloride;hydrochloride,C[N+](C)(C)CCN.Cl.[Cl-],"InChI=1S/C5H15N2.2ClH/c1-7(2,3)5-4-6;;/h4-6H2,1-3H3;2*1H/q+1;;/p-1",GJBYCNLSIBQCRF-UHFFFAOYSA-M,C5H16Cl2N2,175.1,174.0690539,,26,44,0,2,2,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,6-HEXANEDIOL DIMETHACRYLATE",006606-59-3,81080,6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCCCCCOC(=O)C(=C)C,"InChI=1S/C14H22O4/c1-11(2)13(15)17-9-7-5-6-8-10-18-14(16)12(3)4/h1,3,5-10H2,2,4H3",SAPGBCWOQLHKKZ-UHFFFAOYSA-N,C14H22O4,254.32,254.1518092,3.4,52.6,286,0,0,4,11,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BROMOEICOSANE,004276-49-7,20271,1-bromoicosane,CCCCCCCCCCCCCCCCCCCCBr,"InChI=1S/C20H41Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h2-20H2,1H3",CZASMUMJSKOHFJ-UHFFFAOYSA-N,C20H41Br,361.4,360.23916,11.4,0,167,0,0,0,18,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"EUROPIUM (III) ACETATE, HYDRATE",062667-64-5,16212055,acetic acid;europium;hydrate,CC(=O)O.CC(=O)O.CC(=O)O.O.[Eu],"InChI=1S/3C2H4O2.Eu.H2O/c3*1-2(3)4;;/h3*1H3,(H,3,4);;1H2",RWVNKGWAXJFQSB-UHFFFAOYSA-N,C6H14EuO7,350.14,350.99519,,113,127,0,4,7,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
D-GLUCONIC ACID,000526-95-4,10690,"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid",C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O,"InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1",RGHNJXZEOKUKBD-SQOUGZDYSA-N,C6H12O7,196.16,196.0583027,-3.4,138,170,0,6,7,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"N-DECYL-N, N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE",015163-36-7,161111,3-[decyl(dimethyl)azaniumyl]propane-1-sulfonate,CCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-],"InChI=1S/C15H33NO3S/c1-4-5-6-7-8-9-10-11-13-16(2,3)14-12-15-20(17,18)19/h4-15H2,1-3H3",WKALLSVICJPZTM-UHFFFAOYSA-N,C15H33NO3S,307.5,307.2181151,3.9,65.6,307,0,0,3,12,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HAFNIUM SULFIDE,018855-94-2,87830,bis(sulfanylidene)hafnium,S=[Hf]=S,InChI=1S/Hf.2S,IBPNRGHKXLNFKF-UHFFFAOYSA-N,HfS2,242.6,243.8907,,64.2,18,0,0,2,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRABUTYLAMMONIUM  PERRHENATE,016385-59-4,11123851,oxido(trioxo)rhenium;tetrabutylazanium,CCCC[N+](CCCC)(CCCC)CCCC.[O-][Re](=O)(=O)=O,"InChI=1S/C16H36N.4O.Re/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;/h5-16H2,1-4H3;;;;;/q+1;;;;-1;",MTTXKKTWRLXAKW-UHFFFAOYSA-N,C16H36NO4Re,492.67,493.220186,,74.3,212,0,0,4,12,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-MERCAPTO-1-HEXANOL,001633-78-9,560126,6-sulfanylhexan-1-ol,C(CCCS)CCO,"InChI=1S/C6H14OS/c7-5-3-1-2-4-6-8/h7-8H,1-6H2",UGZAJZLUKVKCBM-UHFFFAOYSA-N,C6H14OS,134.24,134.0765362,1.3,21.2,39,0,2,2,5,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IRON SILICIDE,012022-95-6,13956050,iron;silicon,[Si].[Fe],InChI=1S/Fe.Si,XWHPIFXRKKHEKR-UHFFFAOYSA-N,FeSi,83.93,83.911862,,0,0,0,0,0,0,2,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3,3'-DITHIODIPROPIONIC ACID",001119-62-6,95116,3-(2-carboxyethyldisulfanyl)propanoic acid,C(CSSCCC(=O)O)C(=O)O,"InChI=1S/C6H10O4S2/c7-5(8)1-3-11-12-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)",YCLSOMLVSHPPFV-UHFFFAOYSA-N,C6H10O4S2,210.3,210.0020511,-0.1,125,142,0,2,6,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CERIUM 2-ETHYLHEXANOATE,007435-02-1,160894,cerium(3+);tris(octanoate),CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Ce+3],"InChI=1S/3C8H16O2.Ce/c3*1-2-3-4-5-6-7-8(9)10;/h3*2-7H2,1H3,(H,9,10);/q;;;+3/p-3",ZZDXWFSIHDBOLS-UHFFFAOYSA-K,C24H45CeO6,569.7,569.22706,,120,83,0,0,6,15,31,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PERFLUOROEICOSANE,037589-57-4,520855,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-dotetracontafluoroicosane",C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C20F42/c21-1(22,3(25,26)5(29,30)7(33,34)9(37,38)11(41,42)13(45,46)15(49,50)17(53,54)19(57,58)59)2(23,24)4(27,28)6(31,32)8(35,36)10(39,40)12(43,44)14(47,48)16(51,52)18(55,56)20(60,61)62",WSXNCJNDCDTRSA-UHFFFAOYSA-N,C20F42,1038.1,1037.932933,14.5,0,1500,0,0,42,17,62,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(2R,3R)-(-)-2,3-BUTANEDIOL",024347-58-8,225936,"(2R,3R)-butane-2,3-diol",C[C@H]([C@@H](C)O)O,"InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1",OWBTYPJTUOEWEK-QWWZWVQMSA-N,C4H10O2,90.12,90.06807956,-0.9,40.5,30,0,2,2,1,6,,77.3-77.4 °C at 1.00E+01 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
STRONTIUM ALUMINATE,012004-37-4,165931,dialuminum;distrontium;pentakis(oxygen(2-)),[O-2].[O-2].[O-2].[O-2].[O-2].[Al+3].[Al+3].[Sr+2].[Sr+2],InChI=1S/2Al.5O.2Sr/q2*+3;5*-2;2*+2,FNWBQFMGIFLWII-UHFFFAOYSA-N,Al2O5Sr2,309.2,309.748874,,5,0,0,0,5,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
11-MERCAPTO-1-UNDECANOL,073768-94-2,261824,11-sulfanylundecan-1-ol,C(CCCCCO)CCCCCS,"InChI=1S/C11H24OS/c12-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2",ULGGZAVAARQJCS-UHFFFAOYSA-N,C11H24OS,204.37,204.1547866,4.7,21.2,86,0,2,2,10,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM DICHLOROACETATE,019559-59-2,23681501,"potassium 2,2-dichloroacetate",C(C(=O)[O-])(Cl)Cl.[K+],"InChI=1S/C2H2Cl2O2.K/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1",KDGSZJXXQWMOKP-UHFFFAOYSA-M,C2HCl2KO2,167.03,165.8990661,,40.1,64,0,0,2,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GUANIDOACETIC ACID,000352-97-6,763,2-(diaminomethylideneamino)acetic acid,C(C(=O)O)N=C(N)N,"InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)",BPMFZUMJYQTVII-UHFFFAOYSA-N,C3H7N3O2,117.11,117.0538265,-1.6,102,116,0,3,3,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
O-PHOSPHO-DL-SERINE,017885-08-4,106,2-amino-3-phosphonooxypropanoic acid,C(C(C(=O)O)N)OP(=O)(O)O,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)",BZQFBWGGLXLEPQ-UHFFFAOYSA-N,C3H8NO6P,185.07,185.008924,-5.1,130,186,0,4,7,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
D(-)3-PHOSPHOGLYCERIC ACID DISODIUM,080731-10-8,16219906,disodium;(2R)-2-hydroxy-3-[hydroxy(oxido)phosphoryl]oxypropanoate,C([C@H](C(=O)[O-])O)OP(=O)(O)[O-].[Na+].[Na+],"InChI=1S/C3H7O7P.2Na/c4-2(3(5)6)1-10-11(7,8)9;;/h2,4H,1H2,(H,5,6)(H2,7,8,9);;/q;2*+1/p-2/t2-;;/m1../s1",RGCJWQYUZHTJBE-YBBRRFGFSA-L,C3H5Na2O7P,230.02,229.9568281,,130,174,0,2,7,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
D-THREITOL,002418-52-2,169019,"(2R,3R)-butane-1,2,3,4-tetrol",C([C@H]([C@@H](CO)O)O)O,"InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m1/s1",UNXHWFMMPAWVPI-QWWZWVQMSA-N,C4H10O4,122.12,122.0579088,-2.3,80.9,48,0,4,4,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-DEOXY-L-RIBOSE,018546-37-7,6994527,"(3R,4S)-3,4,5-trihydroxypentanal",C(C=O)[C@H]([C@H](CO)O)O,"InChI=1S/C5H10O4/c6-2-1-4(8)5(9)3-7/h2,4-5,7-9H,1,3H2/t4-,5+/m1/s1",ASJSAQIRZKANQN-UHNVWZDZSA-N,C5H10O4,134.13,134.0579088,-2.3,77.8,83,0,3,4,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-LYSINE METHYL ESTER DIHYDROCHLORIDE,026348-70-9,117778,"methyl (2S)-2,6-diaminohexanoate;dihydrochloride",COC(=O)[C@H](CCCCN)N.Cl.Cl,"InChI=1S/C7H16N2O2.2ClH/c1-11-7(10)6(9)4-2-3-5-8;;/h6H,2-5,8-9H2,1H3;2*1H/t6-;;/m0../s1",SXZCBVCQHOJXDR-ILKKLZGPSA-N,C7H18Cl2N2O2,233.13,232.0745332,,78.3,117,0,4,4,6,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-TETRADECYLTRIMETHYLAMMONIUM CHLORIDE,004574-04-3,20708,trimethyl(tetradecyl)azanium chloride,CCCCCCCCCCCCCC[N+](C)(C)C.[Cl-],"InChI=1S/C17H38N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1",CEYYIKYYFSTQRU-UHFFFAOYSA-M,C17H38ClN,291.9,291.2692779,,0,157,0,0,1,13,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HOLMIUM TRICHLORIDE,010138-62-2,24992,trichloroholmium,Cl[Ho](Cl)Cl,InChI=1S/3ClH.Ho/h3*1H;/q;;;+3/p-3,PYOOBRULIYNHJR-UHFFFAOYSA-K,Cl3Ho,271.28,269.836887,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRANS-2-DODECENEDIOIC ACID,006402-36-4,5283028,(E)-dodec-2-enedioic acid,C(CCCCC(=O)O)CCC/C=C/C(=O)O,"InChI=1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h7,9H,1-6,8,10H2,(H,13,14)(H,15,16)/b9-7+",MAZWDMBCPDUFDJ-VQHVLOKHSA-N,C12H20O4,228.28,228.1361591,3,74.6,233,0,2,4,10,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-NITROPENTANE,000628-05-7,220639,1-nitropentane,CCCCC[N+](=O)[O-],"InChI=1S/C5H11NO2/c1-2-3-4-5-6(7)8/h2-5H2,1H3",BVALZCVRLDMXOQ-UHFFFAOYSA-N,C5H11NO2,117.15,117.0789786,2,45.8,67,0,0,2,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-NITROHEXANE,000646-14-0,12589,1-nitrohexane,CCCCCC[N+](=O)[O-],"InChI=1S/C6H13NO2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3",FEYJIFXFOHFGCC-UHFFFAOYSA-N,C6H13NO2,131.17,131.0946287,2.7,45.8,77,0,0,2,4,9,,"356 to 358 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEPTAFLUORO-2,2,3-TRICHLOROBUTANE",000335-44-4,78977,"2,2,3-trichloro-1,1,1,3,4,4,4-heptafluorobutane",C(C(C(F)(F)F)(Cl)Cl)(C(F)(F)F)(F)Cl,"InChI=1S/C4Cl3F7/c5-1(6,3(9,10)11)2(7,8)4(12,13)14",ZPGMWBFCBUKITA-UHFFFAOYSA-N,C4Cl3F7,287.39,285.89538,4.5,0,218,0,0,7,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BIURET,000108-19-0,7913,carbamoylurea,C(=O)(N)NC(=O)N,"InChI=1S/C2H5N3O2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)",OHJMTUPIZMNBFR-UHFFFAOYSA-N,C2H5N3O2,103.08,103.0381764,-0.7,98.2,87,0,3,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM TETRATHIONATE,013932-13-3,61701,,[O-]S(=O)(=O)SSS(=O)(=O)[O-].[K+].[K+],"InChI=1S/2K.H2O6S4/c;;1-9(2,3)7-8-10(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2",UVTKHPSJNFFIDG-UHFFFAOYSA-L,K2O6S4,302.5,301.7851854,,182,208,0,0,8,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
D-(-)-ASPARAGINE MONOHYDRATE,002058-58-4,439600,"(2R)-2,4-diamino-4-oxobutanoic acid",C([C@H](C(=O)O)N)C(=O)N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1",DCXYFEDJOCDNAF-UWTATZPHSA-N,C4H8N2O3,132.12,132.0534921,-3.4,106,134,0,3,4,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"D-RIBULOSE 5-PHOSPHATE, DISODIUM SALT",108321-99-9,15756092,"disodium;[(2R,3R)-2,3,5-trihydroxy-4-oxopentyl] phosphate",C([C@H]([C@H](C(=O)CO)O)O)OP(=O)([O-])[O-].[Na+].[Na+],"InChI=1S/C5H11O8P.2Na/c6-1-3(7)5(9)4(8)2-13-14(10,11)12;;/h4-6,8-9H,1-2H2,(H2,10,11,12);;/q;2*+1/p-2/t4-,5+;;/m1../s1",NBEPTNUBEFMKAU-CIFXRNLBSA-L,C5H9Na2O8P,274.07,273.9830428,,150,222,0,3,8,5,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAHEXYLAMMONIUM TETRAFLUOROBORATE,015553-50-1,16218647,tetrahexylazanium tetrafluoroborate,[B-](F)(F)(F)F.CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC,"InChI=1S/C24H52N.BF4/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;2-1(3,4)5/h5-24H2,1-4H3;/q+1;-1",QNJIMRNKXMJLJQ-UHFFFAOYSA-N,C24H52BF4N,441.5,441.4128935,,0,214,0,0,5,20,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRADODECYLAMMONIUM PERCHLORATE,062120-45-0,3017313,tetradodecylazanium perchlorate,CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.[O-]Cl(=O)(=O)=O,"InChI=1S/C48H100N.ClHO4/c1-5-9-13-17-21-25-29-33-37-41-45-49(46-42-38-34-30-26-22-18-14-10-6-2,47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4;2-1(3,4)5/h5-48H2,1-4H3;(H,2,3,4,5)/q+1;/p-1",UPKKOAUGTBGKAS-UHFFFAOYSA-M,C48H100ClNO4,790.8,789.7340884,,74.3,564,0,0,4,44,54,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMMONIUM HYPOPHOSPHITE,007803-65-8,24656,,[NH4+].[O-]P=O,"InChI=1S/H3N.HO2P/c;1-3-2/h1H3;(H,1,2)",AKYKNEHYFVLCTH-UHFFFAOYSA-N,H4NO2P,81.011,80.99796537,,41.1,7,0,1,2,0,4,,"Decomposes 464 °F (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COPPER (II) AMMONIUM CHLORIDE DIHYDRATE,010060-13-6,16210985,diazanium;tetrachlorocopper(2-);dihydrate,[NH4+].[NH4+].O.O.Cl[Cu-2](Cl)(Cl)Cl,InChI=1S/4ClH.Cu.2H3N.2H2O/h4*1H;;2*1H3;2*1H2/q;;;;+2;;;;/p-2,LLMDTWKBBWCWNN-UHFFFAOYSA-L,Cl4CuH12N2O2,277.5,276.891935,,4,19,0,4,3,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"GADOLINIUM ACETATE, HYDRATE",100587-93-7,71311437,acetic acid;gadolinium;hydrate,CC(=O)O.CC(=O)O.CC(=O)O.O.[Gd],"InChI=1S/3C2H4O2.Gd.H2O/c3*1-2(3)4;;/h3*1H3,(H,3,4);;1H2",HHPUMMSAJAYYST-UHFFFAOYSA-N,C6H14GdO7,355.42,355.99806,,113,127,0,4,7,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LANTHANUM BROMIDE,013536-79-3,83563,tribromolanthanum,Br[La](Br)Br,InChI=1S/3BrH.La/h3*1H;/q;;;+3/p-3,XKUYOJZZLGFZTC-UHFFFAOYSA-K,Br3La,378.62,377.65933,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H,1H,2H,2H-PERFLUORODECANETHIOL",034143-74-3,542755,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-thiol",C(CS)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C10H5F17S/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h28H,1-2H2",URJIJZCEKHSLHA-UHFFFAOYSA-N,C10H5F17S,480.19,479.9840501,6.7,1,559,0,1,18,8,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BROMOPERFLUOROHEXANE,000335-56-8,92755,"1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane",C(C(C(C(F)(F)Br)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,"InChI=1S/C6BrF13/c7-5(16,17)3(12,13)1(8,9)2(10,11)4(14,15)6(18,19)20",JTYRBFORUCBNHJ-UHFFFAOYSA-N,C6BrF13,398.95,397.89758,5.6,0,366,0,0,13,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PERFLUOROBUTYL IODIDE,000423-39-2,67917,"1,1,1,2,2,3,3,4,4-nonafluoro-4-iodobutane",C(C(C(F)(F)I)(F)F)(C(F)(F)F)(F)F,"InChI=1S/C4F9I/c5-1(6,3(9,10)11)2(7,8)4(12,13)14",PGRFXXCKHGIFSV-UHFFFAOYSA-N,C4F9I,345.93,345.8901,4.1,0,215,0,0,9,2,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
3-AMINO-1-PROPANESULFONIC ACID,003687-18-1,1646,3-aminopropane-1-sulfonic acid,C(CN)CS(=O)(=O)O,"InChI=1S/C3H9NO3S/c4-2-1-3-8(5,6)7/h1-4H2,(H,5,6,7)",SNKZJIOFVMKAOJ-UHFFFAOYSA-N,C3H9NO3S,139.18,139.0303143,-3.8,88.8,133,0,2,4,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-IODO-3,3,3-TRIFLUOROPROPANE",000460-37-7,156165,"1,1,1-trifluoro-3-iodopropane",C(CI)C(F)(F)F,"InChI=1S/C3H4F3I/c4-3(5,6)1-2-7/h1-2H2",ULIYQAUQKZDZOX-UHFFFAOYSA-N,C3H4F3I,223.96,223.93098,2.8,0,48,0,0,3,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1H,2H,2H-PERFLUOROOCTYL IODIDE",002043-57-4,74888,"1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane",C(CI)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C8H4F13I/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2",NVVZEKTVIXIUKW-UHFFFAOYSA-N,C8H4F13I,474,473.91501,6.2,0,395,0,0,13,6,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1H,2H,2H-PERFLUORODECYL IODIDE",002043-53-0,74885,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iododecane",C(CI)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C10H4F17I/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2",XVKJSLBVVRCOIT-UHFFFAOYSA-N,C10H4F17I,574.02,573.90863,7.5,0,559,0,0,17,8,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PRASEODYMIUM(III) CHLORIDE HEPTAHYDRATE,010025-90-8,21546488,praseodymium(3+);trichloride;heptahydrate,O.O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Pr+3],InChI=1S/3ClH.7H2O.Pr/h3*1H;7*1H2;/q;;;;;;;;;;+3/p-3,RQHUQJCIAFYPAI-UHFFFAOYSA-K,Cl3H14O7Pr,373.37,371.88817,,7,0,0,7,10,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TARTRONIC ACID,000080-69-3,45,2-hydroxypropanedioic acid,C(C(=O)O)(C(=O)O)O,"InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)",ROBFUDYVXSDBQM-UHFFFAOYSA-N,C3H4O5,120.06,120.0058732,-1.1,94.8,103,0,3,5,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IRON(II) ACETATE,003094-87-9,18344,iron(2+) diacetate,CC(=O)[O-].CC(=O)[O-].[Fe+2],"InChI=1S/2C2H4O2.Fe/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",LNOZJRCUHSPCDZ-UHFFFAOYSA-L,C4H6FeO4,173.93,173.961544,,80.3,25,0,0,4,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAKIS(METHOXYETHOXYETHOXY)SILANE,024685-89-0,90582,tetrakis[2-(2-methoxyethoxy)ethyl] silicate,COCCOCCO[Si](OCCOCCOC)(OCCOCCOC)OCCOCCOC,"InChI=1S/C20H44O12Si/c1-21-5-9-25-13-17-29-33(30-18-14-26-10-6-22-2,31-19-15-27-11-7-23-3)32-20-16-28-12-8-24-4/h5-20H2,1-4H3",AJWLYSOPXUSOQB-UHFFFAOYSA-N,C20H44O12Si,504.6,504.2602034,,111,311,0,0,12,28,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2-DIMETHYL-3-OCTANOL",019841-72-6,140618,"2,2-dimethyloctan-3-ol",CCCCCC(C(C)(C)C)O,"InChI=1S/C10H22O/c1-5-6-7-8-9(11)10(2,3)4/h9,11H,5-8H2,1-4H3",AZIWNYAWODSERA-UHFFFAOYSA-N,C10H22O,158.28,158.1670653,3.7,20.2,91,0,1,1,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-CYSTEINE METHYL ESTER HYDROCHLORIDE,018598-63-5,2733208,methyl (2R)-2-amino-3-sulfanylpropanoate;hydrochloride,COC(=O)[C@H](CS)N.Cl,"InChI=1S/C4H9NO2S.ClH/c1-7-4(6)3(5)2-8;/h3,8H,2,5H2,1H3;1H/t3-;/m0./s1",WHOHXJZQBJXAKL-DFWYDOINSA-N,C4H10ClNO2S,171.65,171.0120774,,53.3,86,0,3,4,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BROMOPROPYLTRIMETHYLAMMONIUM BROMIDE,003779-42-8,151145,3-bromopropyl(trimethyl)azanium bromide,C[N+](C)(C)CCCBr.[Br-],"InChI=1S/C6H15BrN.BrH/c1-8(2,3)6-4-5-7;/h4-6H2,1-3H3;1H/q+1;/p-1",NNZGNZHUGJAKKT-UHFFFAOYSA-M,C6H15Br2N,261,260.95508,,0,56,0,0,1,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIHEXADECYLDIMETHYLAMMONIUM BROMIDE,070755-47-4,9808235,dihexadecyl(dimethyl)azanium bromide,CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-],"InChI=1S/C34H72N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(3,4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-34H2,1-4H3;1H/q+1;/p-1",VIXPKJNAOIWFMW-UHFFFAOYSA-M,C34H72BrN,574.8,573.48481,,0,341,0,0,1,30,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIDODECYLAMINE,003007-31-6,18157,N-dodecyldodecan-1-amine,CCCCCCCCCCCCNCCCCCCCCCCCC,"InChI=1S/C24H51N/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3",MJCJUDJQDGGKOX-UHFFFAOYSA-N,C24H51N,353.7,353.4021506,11,12,192,0,1,1,22,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DIETHYL (HYDROXYMETHYL) PHOSPHONATE,003084-40-0,76513,diethoxyphosphorylmethanol,CCOP(=O)(CO)OCC,"InChI=1S/C5H13O4P/c1-3-8-10(7,5-6)9-4-2/h6H,3-5H2,1-2H3",RWIGWWBLTJLKMK-UHFFFAOYSA-N,C5H13O4P,168.13,168.0551459,-0.4,55.8,115,0,1,4,5,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
STEARIC ACID 1-13C,085541-42-0,16211897,(113C)octadecanoic acid,CCCCCCCCCCCCCCCCC[13C](=O)O,"InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/i18+1",QIQXTHQIDYTFRH-CPZJZEHKSA-N,C18H36O2,285.5,285.2748852,7.4,37.3,202,0,1,2,16,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
MANGANESE(II) HEXAFLUOROACETYLACETONATE TRIHYDRATE,123334-26-9,138395364,"bis((E)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);manganese;trihydrate",C(=C(/O)\C(F)(F)F)\C(=O)C(F)(F)F.C(=C(/O)\C(F)(F)F)\C(=O)C(F)(F)F.O.O.O.[Mn],"InChI=1S/2C5H2F6O2.Mn.3H2O/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;;;;/h2*1,12H;;3*1H2/b2*2-1+;;;;",AIFUSHZHSHRUAS-UTMFBWBUSA-N,C10H10F12MnO7,525.1,524.961534,,77.6,234,0,5,19,2,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
INDIUM (III) ISOPROPOXIDE,038218-24-5,57346963,indium(3+);tris(propan-2-olate),CC(C)[O-].CC(C)[O-].CC(C)[O-].[In+3],"InChI=1S/3C3H7O.In/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3",OVZUSPADPSOQQN-UHFFFAOYSA-N,C9H21InO3,292.08,292.0529483,,69.2,10,0,0,3,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
INDIUM (III) ACETATE,025114-58-3,168292,indium(3+) triacetate,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[In+3],"InChI=1S/3C2H4O2.In/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",VBXWCGWXDOBUQZ-UHFFFAOYSA-K,C6H9InO6,291.95,291.9437918,,120,25,0,0,6,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM MOLYBDENUM OXIDE,013446-49-6,6093816,dipotassium;dioxido(dioxo)molybdenum,[O-][Mo](=O)(=O)[O-].[K+].[K+],InChI=1S/2K.Mo.4O/q2*+1;;;;2*-1,NUYGZETUIUXJCO-UHFFFAOYSA-N,K2MoO4,238.14,239.812475,,80.3,62,0,0,4,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
O-PHOSPHO-DL-THREONINE,027530-80-9,1016,2-amino-3-phosphonooxybutanoic acid,CC(C(C(=O)O)N)OP(=O)(O)O,"InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)",USRGIUJOYOXOQJ-UHFFFAOYSA-N,C4H10NO6P,199.1,199.024574,-4.7,130,212,0,4,7,4,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
(BOC-AMINOOXY)ACETIC ACID,042989-85-5,2755974,2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetic acid,CC(C)(C)OC(=O)NOCC(=O)O,"InChI=1S/C7H13NO5/c1-7(2,3)13-6(11)8-12-4-5(9)10/h4H2,1-3H3,(H,8,11)(H,9,10)",QBXODCKYUZNZCY-UHFFFAOYSA-N,C7H13NO5,191.18,191.0793725,0.6,84.9,196,0,2,5,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(-)-POLY(3-HYDROXYBUTYRIC ACID),026063-00-3,441,3-hydroxybutanoic acid,CC(CC(=O)O)O,"InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)",WHBMMWSBFZVSSR-UHFFFAOYSA-N,C4H8O3,104.1,104.0473441,-0.5,57.5,69,0,2,3,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(N-NONYL)TRIMETHYLAMMONIUM BROMIDE,001943-11-9,74750,trimethyl(nonyl)azanium bromide,CCCCCCCCC[N+](C)(C)C.[Br-],"InChI=1S/C12H28N.BrH/c1-5-6-7-8-9-10-11-12-13(2,3)4;/h5-12H2,1-4H3;1H/q+1;/p-1",SSEGNMJSEROZIF-UHFFFAOYSA-M,C12H28BrN,266.26,265.14051,,0,102,0,0,1,8,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CERIUM TRIFLUOROMETHANESULFONATE HYDRATE,698999-65-4,71311513,cerium(3+);tris(trifluoromethanesulfonate);hydrate,C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].O.[Ce+3],"InChI=1S/3CHF3O3S.Ce.H2O/c3*2-1(3,4)8(5,6)7;;/h3*(H,5,6,7);;1H2/q;;;+3;/p-3",WETFAJNJKMKTDE-UHFFFAOYSA-K,C3H2CeF9O10S3,605.3,604.77209,,198,145,0,1,19,0,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CERIUM(III) SULFATE,013454-94-9,159674,bis(cerium(3+));trisulfate,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ce+3].[Ce+3],"InChI=1S/2Ce.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",OZECDDHOAMNMQI-UHFFFAOYSA-H,Ce2O12S3,568.4,567.66609,,266,62,0,0,12,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IRON III TRIFLUOROPENTANEDIONATE,014526-22-8,5708554,"iron(3+);tris((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate)",CC(=O)/C=C(\[O-])/C(F)(F)F.CC(=O)/C=C(\[O-])/C(F)(F)F.CC(=O)/C=C(\[O-])/C(F)(F)F.[Fe+3],"InChI=1S/3C5H5F3O2.Fe/c3*1-3(9)2-4(10)5(6,7)8;/h3*2,10H,1H3;/q;;;+3/p-3/b3*4-2-;",DYSQBHKDTAZKQW-DJFUMVPSSA-K,C15H12F9FeO6,515.08,514.983952,,120,168,0,0,15,3,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PALLADIUM II TRIFLUOROACETATE,042196-31-6,2733347,"palladium(2+);bis(2,2,2-trifluoroacetate)",C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Pd+2],"InChI=1S/2C2HF3O2.Pd/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2",PBDBXAQKXCXZCJ-UHFFFAOYSA-L,C4F6O4Pd,332.45,331.87356,,80.3,77,0,0,10,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"11-AMINO-1-UNDECANETHIOL, HYDROCHLORIDE",143339-58-6,16744909,11-aminoundecane-1-thiol;hydrochloride,C(CCCCCN)CCCCCS.Cl,"InChI=1S/C11H25NS.ClH/c12-10-8-6-4-2-1-3-5-7-9-11-13;/h13H,1-12H2;1H",LOQACAFAHHWTBJ-UHFFFAOYSA-N,C11H26ClNS,239.85,239.1474487,,27,86,0,3,2,10,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NIOBIUM N-BUTOXIDE,051030-47-8,170957,pentakis(butan-1-olate);niobium(5+),CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Nb+5],"InChI=1S/5C4H9O.Nb/c5*1-2-3-4-5;/h5*2-4H2,1H3;/q5*-1;+5",DINQVNXOZUORJS-UHFFFAOYSA-N,C20H45NbO5,458.5,458.23307,,115,13,0,0,5,10,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRANS-2-NONENAL,018829-56-6,5283335,(E)-non-2-enal,CCCCCC/C=C/C=O,"InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7+",BSAIUMLZVGUGKX-BQYQJAHWSA-N,C9H16O,140.22,140.1201151,3.1,17.1,94,0,0,1,6,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PENTADECANEDIOIC ACID,001460-18-0,160576,pentadecanedioic acid,C(CCCCCCC(=O)O)CCCCCCC(=O)O,"InChI=1S/C15H28O4/c16-14(17)12-10-8-6-4-2-1-3-5-7-9-11-13-15(18)19/h1-13H2,(H,16,17)(H,18,19)",BTZVDPWKGXMQFW-UHFFFAOYSA-N,C15H28O4,272.38,272.1987594,4.8,74.6,214,0,2,4,14,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PINACOLYL METHYLPHOSPHONATE,000616-52-4,12026,"3,3-dimethylbutan-2-yloxy(methyl)phosphinic acid",CC(C(C)(C)C)OP(=O)(C)O,"InChI=1S/C7H17O3P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3,(H,8,9)",BLALDUPQYCGKAG-UHFFFAOYSA-N,C7H17O3P,180.18,180.0915314,1.1,46.5,171,0,1,3,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHYL PHOSPHORAMIDATE,001068-21-9,70605,[amino(ethoxy)phosphoryl]oxyethane,CCOP(=O)(N)OCC,"InChI=1S/C4H12NO3P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H2,5,6)",MCQILDHFZKTBOD-UHFFFAOYSA-N,C4H12NO3P,153.12,153.0554802,-0.5,61.6,106,0,1,4,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HEXYLDECANOIC ACID,025354-97-6,32912,2-hexyldecanoic acid,CCCCCCCCC(CCCCCC)C(=O)O,"InChI=1S/C16H32O2/c1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2/h15H,3-14H2,1-2H3,(H,17,18)",JMOLZNNXZPAGBH-UHFFFAOYSA-N,C16H32O2,256.42,256.2402303,6.4,37.3,190,0,1,2,13,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(R)-(-)-1,2-PROPANEDIOL",004254-14-2,259994,"(2R)-propane-1,2-diol",C[C@H](CO)O,"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1",DNIAPMSPPWPWGF-GSVOUGTGSA-N,C3H8O2,76.09,76.05242949,-0.9,40.5,20,0,2,2,1,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ZIRCONIUM (IV) OXIDE-8% YTTRIA STABILIZED, NANOPOWDER",308076-80-4,16213869,dioxozirconium;oxo(oxoyttriooxy)yttrium,O=[Y]O[Y]=O.O=[Zr]=O,InChI=1S/5O.2Y.Zr,KSTOPEBVPBSOTK-UHFFFAOYSA-N,O5Y2Zr,349.03,347.690948,,77.5,52,0,0,5,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
INDIUM CHLORIDE,013465-10-6,6330157,chloroindium,Cl[In],InChI=1S/ClH.In/h1H;/q;+1/p-1,APHGZSBLRQFRCA-UHFFFAOYSA-M,ClIn,150.27,149.8727315,,0,2,0,0,0,0,2,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMMONIA-D3-15N,022364-56-3,16213285,,[2H][15N]([2H])[2H],InChI=1S/H3N/h1H3/i1+1/hD3,QGZKDVFQNNGYKY-IQGFCBPYSA-N,H3N,21.04241423,21.04241423,-0.7,1,0,0,1,1,0,1,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
16-BROMOHEXADECANOIC ACID,002536-35-8,620397,16-bromohexadecanoic acid,C(CCCCCCCC(=O)O)CCCCCCCBr,"InChI=1S/C16H31BrO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1-15H2,(H,18,19)",PFNCOYVEMJYEED-UHFFFAOYSA-N,C16H31BrO2,335.32,334.15074,6.2,37.3,195,0,1,2,15,19,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DIETHYL (3-BROMOPROPYL)PHOSPHONATE,001186-10-3,283500,1-bromo-3-diethoxyphosphorylpropane,CCOP(=O)(CCCBr)OCC,"InChI=1S/C7H16BrO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h3-7H2,1-2H3",PEIKTSJIUKYDPC-UHFFFAOYSA-N,C7H16BrO3P,259.08,258.00204,1.3,35.5,142,0,0,3,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEXADECYLTRIMETHOXYSILANE,016415-12-6,85406,hexadecyl(trimethoxy)silane,CCCCCCCCCCCCCCCC[Si](OC)(OC)OC,"InChI=1S/C19H42O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20-2,21-3)22-4/h5-19H2,1-4H3",RSKGMYDENCAJEN-UHFFFAOYSA-N,C19H42O3Si,346.6,346.2903217,,27.7,224,0,0,3,18,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DYSPROSIUM(III) CHLORIDE HEXAHYDRATE,015059-52-6,71311204,trichlorodysprosium;hexahydrate,O.O.O.O.O.O.Cl[Dy](Cl)Cl,InChI=1S/3ClH.Dy.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3,HFEOHRWLEGXZHW-UHFFFAOYSA-K,Cl3DyH12O6,376.95,376.899127,,6,8,0,6,6,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GAMMA-GUANIDINOBUTYRIC ACID,000463-00-3,500,4-(diaminomethylideneamino)butanoic acid,C(CC(=O)O)CN=C(N)N,"InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)",TUHVEAJXIMEOSA-UHFFFAOYSA-N,C5H11N3O2,145.16,145.0851266,-1.5,102,140,0,3,3,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ZIRCONIUM T-BUTOXIDE,002081-12-1,2733711,tetrakis(2-methylpropan-2-ol);zirconium,CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.[Zr],"InChI=1S/4C4H10O.Zr/c4*1-4(2,3)5;/h4*5H,1-3H3;",WRMYASGYMABHCC-UHFFFAOYSA-N,C16H40O4Zr,387.71,386.197359,,80.9,154,0,4,4,0,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIAMINOPIMELIC ACID",000583-93-7,865,"2,6-diaminoheptanedioic acid",C(CC(C(=O)O)N)CC(C(=O)O)N,"InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)",GMKMEZVLHJARHF-UHFFFAOYSA-N,C7H14N2O4,190.2,190.0953569,-5.9,127,175,0,4,6,6,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OCTADECYLSILANE,018623-11-5,87730,octadecylsilane,CCCCCCCCCCCCCCCCCC[SiH3],"InChI=1S/C18H40Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1,19H3",YTJSFYQNRXLOIC-UHFFFAOYSA-N,C18H40Si,284.6,284.2899278,,0,145,0,0,0,16,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-OCTADECYLPHOSPHONIC ACID,004724-47-4,78451,octadecylphosphonic acid,CCCCCCCCCCCCCCCCCCP(=O)(O)O,"InChI=1S/C18H39O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3,(H2,19,20,21)",FTMKAMVLFVRZQX-UHFFFAOYSA-N,C18H39O3P,334.5,334.2636821,7.2,57.5,263,0,2,3,17,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-ACETYL-L-ALANINE,000097-69-8,88064,(2S)-2-acetamidopropanoic acid,C[C@@H](C(=O)O)NC(=O)C,"InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1",KTHDTJVBEPMMGL-VKHMYHEASA-N,C5H9NO3,131.13,131.0582431,-0.9,66.4,132,0,2,3,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DL-3-AMINOBUTYRIC ACID,002835-82-7,10932,3-aminobutanoic acid,CC(CC(=O)O)N,"InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)",OQEBBZSWEGYTPG-UHFFFAOYSA-N,C4H9NO2,103.12,103.0633285,-3.1,63.3,72,0,2,3,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PENTAERYTHRITYL TETRABROMIDE,003229-00-3,76701,"1,3-dibromo-2,2-bis(bromomethyl)propane",C(C(CBr)(CBr)CBr)Br,"InChI=1S/C5H8Br4/c6-1-5(2-7,3-8)4-9/h1-4H2",OYSVBCSOQFXYHK-UHFFFAOYSA-N,C5H8Br4,387.73,387.73185,3.4,0,51,0,0,0,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PENTAFLUOROETHYLPHOSPHONIC ACID,103305-01-7,2785276,"1,1,2,2,2-pentafluoroethylphosphonic acid",C(C(F)(F)P(=O)(O)O)(F)(F)F,"InChI=1S/C2H2F5O3P/c3-1(4,5)2(6,7)11(8,9)10/h(H2,8,9,10)",XLWUDBRTNPGWDQ-UHFFFAOYSA-N,C2H2F5O3P,200,199.9661717,0.3,57.5,190,0,2,8,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYLTRIOCTYLAMMONIUM BROMIDE,035675-80-0,11503288,methyl(trioctyl)azanium bromide,CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.[Br-],"InChI=1S/C25H54N.BrH/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;/h5-25H2,1-4H3;1H/q+1;/p-1",QLPMKRZYJPNIRP-UHFFFAOYSA-M,C25H54BrN,448.6,447.34396,,0,220,0,0,1,21,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-METHYLPROPIONAMIDE,001187-58-2,14470,N-methylpropanamide,CCC(=O)NC,"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)",QJQAMHYHNCADNR-UHFFFAOYSA-N,C4H9NO,87.12,87.06841391,0,29.1,51,0,1,1,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-A-ACETYL-L-LYSINE CRYSTALLINE,001946-82-3,92907,(2S)-2-acetamido-6-aminohexanoic acid,CC(=O)N[C@@H](CCCCN)C(=O)O,"InChI=1S/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1",VEYYWZRYIYDQJM-ZETCQYMHSA-N,C8H16N2O3,188.22,188.1160924,-4.4,92.4,182,0,3,4,6,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAETHYLENE GLYCOL DIMETHACRYLATE,000109-17-1,7980,2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCOCCOCCOCCOC(=O)C(=C)C,"InChI=1S/C16H26O7/c1-13(2)15(17)22-11-9-20-7-5-19-6-8-21-10-12-23-16(18)14(3)4/h1,3,5-12H2,2,4H3",LTHJXDSHSVNJKG-UHFFFAOYSA-N,C16H26O7,330.37,330.1678532,1.5,80.3,354,0,0,7,16,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
N-(TERT-BUTYLOXYCARBONYL)-L-THREONINE,002592-18-9,100116,3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid,CC(C(C(=O)O)NC(=O)OC(C)(C)C)O,"InChI=1S/C9H17NO5/c1-5(11)6(7(12)13)10-8(14)15-9(2,3)4/h5-6,11H,1-4H3,(H,10,14)(H,12,13)",LLHOYOCAAURYRL-UHFFFAOYSA-N,C9H17NO5,219.23,219.1106726,0.3,95.9,245,0,3,5,5,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BOC-GLU(OBUT)-OH,013726-84-6,6993432,(2S)-5-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid,CC(C)(C)OC(=O)CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C,"InChI=1S/C14H25NO6/c1-13(2,3)20-10(16)8-7-9(11(17)18)15-12(19)21-14(4,5)6/h9H,7-8H2,1-6H3,(H,15,19)(H,17,18)/t9-/m0/s1",YGSRAYJBEREVRB-VIFPVBQESA-N,C14H25NO6,303.35,303.1681875,1.7,102,391,0,2,6,9,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(TRIMETHYLSILYLOXY)ETHYL METHACRYLATE,017407-09-9,87094,2-trimethylsilyloxyethyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCO[Si](C)(C)C,"InChI=1S/C9H18O3Si/c1-8(2)9(10)11-6-7-12-13(3,4)5/h1,6-7H2,2-5H3",WUGOQZFPNUYUOO-UHFFFAOYSA-N,C9H18O3Si,202.32,202.102521,,35.5,194,0,0,3,6,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
9-DECEN-1-OL,013019-22-2,25612,dec-9-en-1-ol,C=CCCCCCCCCO,"InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h2,11H,1,3-10H2",QGFSQVPRCWJZQK-UHFFFAOYSA-N,C10H20O,156.26,156.1514153,3.6,20.2,78,0,1,1,8,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
N-METHYLDIOCTYLAMINE,004455-26-9,78202,N-methyl-N-octyloctan-1-amine,CCCCCCCCN(C)CCCCCCCC,"InChI=1S/C17H37N/c1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2/h4-17H2,1-3H3",YJLYANLCNIKXMG-UHFFFAOYSA-N,C17H37N,255.5,255.2926002,7.1,3.2,129,0,0,1,14,18,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,18-OCTADECANEDICARBOXYLIC ACID",002424-92-2,75502,icosanedioic acid,C(CCCCCCCCCC(=O)O)CCCCCCCCC(=O)O,"InChI=1S/C20H38O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h1-18H2,(H,21,22)(H,23,24)",JJOJFIHJIRWASH-UHFFFAOYSA-N,C20H38O4,342.5,342.2770097,7.5,74.6,272,0,2,4,19,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"10,12-TRICOSADIYONIC ACID",066990-30-5,538457,"tricosa-10,12-diynoic acid",CCCCCCCCCCC#CC#CCCCCCCCCC(=O)O,"InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-10,15-22H2,1H3,(H,24,25)",DIEDVCMBPCRJFQ-UHFFFAOYSA-N,C23H38O2,346.5,346.2871805,8.3,37.3,438,0,1,2,17,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"10,12-PENTACOSADIYNOIC ACID",066990-32-7,538433,"pentacosa-10,12-diynoic acid",CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)O,"InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h2-12,17-24H2,1H3,(H,26,27)",ZPUDRBWHCWYMQS-UHFFFAOYSA-N,C25H42O2,374.6,374.3184806,9.4,37.3,466,0,1,2,19,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-KETO-N-BUTYRIC ACID SODIUM SALT,002013-26-5,23673454,sodium 2-oxobutanoate,CCC(=O)C(=O)[O-].[Na+],"InChI=1S/C4H6O3.Na/c1-2-3(5)4(6)7;/h2H2,1H3,(H,6,7);/q;+1/p-1",SUAMAHKUSIHRMR-UHFFFAOYSA-M,C4H5NaO3,124.07,124.0136383,,57.2,99,0,0,3,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHYL(BROMODIFLUOROMETHYL)PHOSPHONATE,065094-22-6,144101,1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane,CCOP(=O)(C(F)(F)Br)OCC,"InChI=1S/C5H10BrF2O3P/c1-3-10-12(9,11-4-2)5(6,7)8/h3-4H2,1-2H3",QRADKVYIJIAENZ-UHFFFAOYSA-N,C5H10BrF2O3P,267.01,265.9519,1.8,35.5,178,0,0,5,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(R)-(+)-2-(TERT-BUTOXYCARBONYLAMINO)-1-PROPANOL,106391-86-0,13200309,tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate,C[C@H](CO)NC(=O)OC(C)(C)C,"InChI=1S/C8H17NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m1/s1",PDAFIZPRSXHMCO-ZCFIWIBFSA-N,C8H17NO3,175.23,175.1208434,0.7,58.6,151,0,2,3,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(S)-(-)-2-(TERT-BUTOXYCARBONYLAMINO)-1-PROPANOL,079069-13-9,7023103,tert-butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate,C[C@@H](CO)NC(=O)OC(C)(C)C,"InChI=1S/C8H17NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m0/s1",PDAFIZPRSXHMCO-LURJTMIESA-N,C8H17NO3,175.23,175.1208434,0.7,58.6,151,0,2,3,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMOHEXADECANOIC ACID,018263-25-7,82145,2-bromohexadecanoic acid,CCCCCCCCCCCCCCC(C(=O)O)Br,"InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)",DPRAYRYQQAXQPE-UHFFFAOYSA-N,C16H31BrO2,335.32,334.15074,7.8,37.3,207,0,1,2,14,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ERBIUM (III) PHOSPHATE HYDRATE,014242-01-4,16217375,erbium(3+);phosphate;hydrate,O.[O-]P(=O)([O-])[O-].[Er+3],"InChI=1S/Er.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2/q+3;;/p-3",PDQXJPLNEUYGOX-UHFFFAOYSA-K,ErH2O5P,280.25,278.894286,,87.3,36,0,1,5,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PRASEODYMIUM (III) PHOSPHATE,014298-31-8,3084189,praseodymium(3+) phosphate,[O-]P(=O)([O-])[O-].[Pr+3],"InChI=1S/H3O4P.Pr/c1-5(2,3)4;/h(H3,1,2,3,4);/q;+3/p-3",KDCUNMWWJBHRSC-UHFFFAOYSA-K,O4PPr,235.879,235.86108,,86.3,36,0,0,4,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NEODYMIUM(III) PHOSPHATE HYDRATE,014298-32-9,167060,neodymium(3+) phosphate,[O-]P(=O)([O-])[O-].[Nd+3],"InChI=1S/Nd.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3",DZNFWGVDYGAMJB-UHFFFAOYSA-K,NdO4P,239.21,236.86115,,86.3,36,0,0,4,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SAMARIUM(III) PHOSPHATE HYDRATE,013465-57-1,13710715,samarium(3+) phosphate,[O-]P(=O)([O-])[O-].[Sm+3],"InChI=1S/H3O4P.Sm/c1-5(2,3)4;/h(H3,1,2,3,4);/q;+3/p-3",BJRVEOKYZKROCC-UHFFFAOYSA-K,O4PSm,245.3,246.87316,,86.3,36,0,0,4,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
18-PENTATRIACONTANONE,000504-53-0,10440,pentatriacontan-18-one,CCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C35H70O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(36)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3",DMCJFWXGXUEHFD-UHFFFAOYSA-N,C35H70O,506.9,506.5426669,16.8,17.1,365,0,0,1,32,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-KETOPIMELIC ACID,000502-50-1,95084,4-oxoheptanedioic acid,C(CC(=O)O)C(=O)CCC(=O)O,"InChI=1S/C7H10O5/c8-5(1-3-6(9)10)2-4-7(11)12/h1-4H2,(H,9,10)(H,11,12)",UDDSEESQRGPVIL-UHFFFAOYSA-N,C7H10O5,174.15,174.0528234,-1.2,91.7,176,0,2,5,6,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-MERCAPTO-1-BUTANOL,014970-83-3,548261,4-sulfanylbutan-1-ol,C(CCS)CO,"InChI=1S/C4H10OS/c5-3-1-2-4-6/h5-6H,1-4H2",NEJMTSWXTZREOC-UHFFFAOYSA-N,C4H10OS,106.19,106.0452361,0.1,21.2,23,0,2,2,3,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,16-HEXADECANEDITHIOL",079028-45-8,12872692,"hexadecane-1,16-dithiol",C(CCCCCCCCS)CCCCCCCS,"InChI=1S/C16H34S2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h17-18H,1-16H2",JSRUFBZERGYUAT-UHFFFAOYSA-N,C16H34S2,290.6,290.2101934,7.6,2,121,0,2,2,15,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BROMODOCOSANE,006938-66-5,81355,1-bromodocosane,CCCCCCCCCCCCCCCCCCCCCCBr,"InChI=1S/C22H45Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h2-22H2,1H3",QYOXLKAKUAASNA-UHFFFAOYSA-N,C22H45Br,389.5,388.27046,12.5,0,190,0,0,0,20,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-METHYLHYDROXYLAMINE HYDROCHLORIDE,004229-44-1,77906,N-methylhydroxylamine;hydrochloride,CNO.Cl,"InChI=1S/CH5NO.ClH/c1-2-3;/h2-3H,1H3;1H",RGZRSLKIOCHTSI-UHFFFAOYSA-N,CH6ClNO,83.52,83.0137915,,32.3,4,0,3,2,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PENICILLAMINE,000052-67-5,5852,(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid,CC(C)([C@H](C(=O)O)N)S,"InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1",VVNCNSJFMMFHPL-VKHMYHEASA-N,C5H11NO2S,149.21,149.0510498,-1.8,64.3,124,0,3,4,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DL-ETHIONINE,000067-21-0,6205,2-amino-4-ethylsulfanylbutanoic acid,CCSCCC(C(=O)O)N,"InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)",GGLZPLKKBSSKCX-UHFFFAOYSA-N,C6H13NO2S,163.24,163.0666998,-1.5,88.6,108,0,2,4,5,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,7-DIMETHYL-1-OCTANOL",000106-21-8,7792,"3,7-dimethyloctan-1-ol",CC(C)CCCC(C)CCO,"InChI=1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3",PRNCMAKCNVRZFX-UHFFFAOYSA-N,C10H22O,158.28,158.1670653,3.6,20.2,78,0,1,1,6,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
MALONAMIDE,000108-13-4,7911,propanediamide,C(C(=O)N)C(=O)N,"InChI=1S/C3H6N2O2/c4-2(6)1-3(5)7/h1H2,(H2,4,6)(H2,5,7)",WRIRWRKPLXCTFD-UHFFFAOYSA-N,C3H6N2O2,102.09,102.0429274,-1.8,86.2,87,0,2,2,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Triethylene Glycol Monomethyl Ether,000112-35-6,8178,2-[2-(2-methoxyethoxy)ethoxy]ethanol,COCCOCCOCCO,"InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3",JLGLQAWTXXGVEM-UHFFFAOYSA-N,C7H16O4,164.2,164.104859,-1,47.9,67,0,1,4,8,11,"greater than 230 °F (USCG, 1999)",246 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ETHANIMIDAMIDE MONOHYDROCHLORIDE,000124-42-5,67170,ethanimidamide;hydrochloride,CC(=N)N.Cl,"InChI=1S/C2H6N2.ClH/c1-2(3)4;/h1H3,(H3,3,4);1H",WCQOBLXWLRDEQA-UHFFFAOYSA-N,C2H7ClN2,94.54,94.0297759,,49.9,31,0,3,1,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(Z)-3,7-DIMETHYL-2,6-OCTADIEN-1-OL ACETATE",000141-12-8,1549025,"[(2Z)-3,7-dimethylocta-2,6-dienyl] acetate",CC(=CCC/C(=C\COC(=O)C)/C)C,"InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8-",HIGQPQRQIQDZMP-FLIBITNWSA-N,C12H20O2,196.29,196.1463299,3.5,26.3,233,0,0,2,6,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"2-METHYL-2-PROPENOIC ACID, HEXYL ESTER",000142-09-6,8872,hexyl 2-methylprop-2-enoate,CCCCCCOC(=O)C(=C)C,"InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h2,4-8H2,1,3H3",LNCPIMCVTKXXOY-UHFFFAOYSA-N,C10H18O2,170.25,170.1306798,4,26.3,150,0,0,2,7,12,"180 °F (NTP, 1992)","153 to 185 °F at 8 mmHg (NTP, 1992)",0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"1-PENTANAMINE, 1,1,2,2,3,3,4,4,5,5,5-UNDECAFLUORO-N,N-BIS(UNDECAFLUOROPENTYL)-1-PENTANAMINE",000338-84-1,67646,"1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N,N-bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pentan-1-amine",C(C(C(N(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,"InChI=1S/C15F33N/c16-1(17,4(22,23)10(34,35)36)7(28,29)13(43,44)49(14(45,46)8(30,31)2(18,19)5(24,25)11(37,38)39)15(47,48)9(32,33)3(20,21)6(26,27)12(40,41)42",AQZYBQIAUSKCCS-UHFFFAOYSA-N,C15F33N,821.11,820.9503784,11.9,3.2,1040,0,0,34,12,49,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
HENICOSAFLUORO-10-IODODECANE,000423-62-1,67920,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-10-iododecane",C(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C10F21I/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)32",UDWBMXSQHOHKOI-UHFFFAOYSA-N,C10F21I,645.98,645.87094,8.1,0,698,0,0,21,8,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BIS(TRIFLUOROMETHYLSULFONYL)METHANE,000428-76-2,67931,trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane,C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F,"InChI=1S/C3H2F6O4S2/c4-2(5,6)14(10,11)1-15(12,13)3(7,8)9/h1H2",QBOFWVRRMVGXIG-UHFFFAOYSA-N,C3H2F6O4S2,280.2,279.9298699,1.5,85,371,0,0,10,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYLSUCCINIC ACID,000498-21-5,10349,2-methylbutanedioic acid,CC(CC(=O)O)C(=O)O,"InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)",WXUAQHNMJWJLTG-UHFFFAOYSA-N,C5H8O4,132.11,132.0422587,-0.2,74.6,129,0,2,4,3,9,,"Decomposes (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-(METHYLTHIO)-1-PROPANOL,000505-10-2,10448,3-methylsulfanylpropan-1-ol,CSCCCO,"InChI=1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3",CZUGFKJYCPYHHV-UHFFFAOYSA-N,C4H10OS,106.19,106.0452361,0.5,45.5,23,0,1,2,3,6,,89.00 to 90.00 °C. @ 13.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-OXO-PENTANEDIOIC ACID,000542-05-2,68328,3-oxopentanedioic acid,C(C(=O)CC(=O)O)C(=O)O,"InChI=1S/C5H6O5/c6-3(1-4(7)8)2-5(9)10/h1-2H2,(H,7,8)(H,9,10)",OXTNCQMOKLOUAM-UHFFFAOYSA-N,C5H6O5,146.1,146.0215233,-0.7,91.7,153,0,2,5,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-TRIACONTANOL,000593-50-0,68972,triacontan-1-ol,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO,"InChI=1S/C30H62O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h31H,2-30H2,1H3",REZQBEBOWJAQKS-UHFFFAOYSA-N,C30H62O,438.8,438.4800666,14.9,20.2,288,0,1,1,28,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYLAMMONIUM BROMIDE,000593-55-5,68974,ethanamine;hydrobromide,CCN.Br,"InChI=1S/C2H7N.BrH/c1-2-3;/h2-3H2,1H3;1H",PNZDZRMOBIIQTC-UHFFFAOYSA-N,C2H8BrN,126,124.98401,,26,2,0,2,1,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-METHOXY-1,2-PROPANEDIOL",000623-39-2,92822,"3-methoxypropane-1,2-diol",COCC(CO)O,"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3",PSJBSUHYCGQTHZ-UHFFFAOYSA-N,C4H10O3,106.12,106.0629942,-1.2,49.7,37,0,2,3,3,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEXANAMIDE,000628-02-4,12332,hexanamide,CCCCCC(=O)N,"InChI=1S/C6H13NO/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H2,7,8)",ALBYIUDWACNRRB-UHFFFAOYSA-N,C6H13NO,115.17,115.099714,1.3,43.1,70,0,1,1,4,8,,"491 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-NONANOL,000628-99-9,12367,nonan-2-ol,CCCCCCCC(C)O,"InChI=1S/C9H20O/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3",NGDNVOAEIVQRFH-UHFFFAOYSA-N,C9H20O,144.25,144.1514153,3.4,20.2,61,0,1,1,6,10,,193.00 to 194.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TRIETHYLAMMONIUM BROMIDE,000636-70-4,2734074,"N,N-diethylethanamine;hydrobromide",CCN(CC)CC.Br,"InChI=1S/C6H15N.BrH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H",NRTLTGGGUQIRRT-UHFFFAOYSA-N,C6H16BrN,182.1,181.04661,,3.2,25,0,1,1,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6,10-DIMETHYL-5,9-UNDECADIEN-2-ONE",000689-67-8,1549778,"(5E)-6,10-dimethylundeca-5,9-dien-2-one",CC(=CCC/C(=C/CCC(=O)C)/C)C,"InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+",HNZUNIKWNYHEJJ-FMIVXFBMSA-N,C13H22O,194.31,194.1670653,3.7,17.1,230,0,0,1,6,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
DL-NORVALINE,000760-78-1,824,2-aminopentanoic acid,CCCC(C(=O)O)N,"InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",SNDPXSYFESPGGJ-UHFFFAOYSA-N,C5H11NO2,117.15,117.0789786,-2.1,63.3,82,0,2,3,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEPTANOIC ACID, 2-METHYL-",001188-02-9,14475,2-methylheptanoic acid,CCCCCC(C)C(=O)O,"InChI=1S/C8H16O2/c1-3-4-5-6-7(2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)",NKBWMBRPILTCRD-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,2.9,37.3,99,0,1,2,5,10,,140.00 °C. @ 30.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"GLUTARIC ACID, MONOMETHYL ESTER",001501-27-5,73917,5-methoxy-5-oxopentanoic acid,COC(=O)CCCC(=O)O,"InChI=1S/C6H10O4/c1-10-6(9)4-2-3-5(7)8/h2-4H2,1H3,(H,7,8)",IBMRTYCHDPMBFN-UHFFFAOYSA-N,C6H10O4,146.14,146.0579088,0.3,63.6,130,0,1,4,5,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIETHOXYOXOVANADIUM,001686-22-2,74312,ethanol;oxovanadium,CCO.CCO.CCO.O=[V],"InChI=1S/3C2H6O.O.V/c3*1-2-3;;/h3*3H,2H2,1H3;;",IDIDIJSLBFQEKY-UHFFFAOYSA-N,C6H18O4V,205.15,205.064467,,77.8,25,0,3,4,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-METHYL-2-PROPENOIC ACID, 3,3,4,4,5,5,6,6,6-NONAFLUOROHEXYL ESTER",001799-84-4,74534,"3,3,4,4,5,5,6,6,6-nonafluorohexyl 2-methylprop-2-enoate",CC(=C)C(=O)OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C10H9F9O2/c1-5(2)6(20)21-4-3-7(11,12)8(13,14)9(15,16)10(17,18)19/h1,3-4H2,2H3",TYNRPOFACABVSI-UHFFFAOYSA-N,C10H9F9O2,332.16,332.045883,4.6,26.3,411,0,0,11,7,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N5-(IMINO(NITROAMINO)METHYL)-L-ORNITHINE,002149-70-4,440005,(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoic acid,C(C[C@@H](C(=O)O)N)CN=C(N)N[N+](=O)[O-],"InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1",MRAUNPAHJZDYCK-BYPYZUCNSA-N,C6H13N5O4,219.2,219.0967539,-3.6,160,261,0,4,6,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BUTYLHYDROXYOXOSTANNANE,002273-43-0,16767,butyl-hydroxy-oxotin,CCCC[Sn](=O)O,"InChI=1S/C4H9.H2O.O.Sn/c1-3-4-2;;;/h1,3-4H2,2H3;1H2;;/q;;;+1/p-1",WIHMDCQAEONXND-UHFFFAOYSA-M,C4H10O2Sn,208.83,209.970282,,37.3,62,0,1,2,3,7,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
Acetylglutamine,002490-97-3,182230,(2S)-2-acetamido-5-amino-5-oxopentanoic acid,CC(=O)N[C@@H](CCC(=O)N)C(=O)O,"InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)/t5-/m0/s1",KSMRODHGGIIXDV-YFKPBYRVSA-N,C7H12N2O4,188.18,188.0797069,-1.4,109,227,0,3,4,5,13,,604.00 to 605.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, OCTYL ESTER",002499-59-4,17258,octyl prop-2-enoate,CCCCCCCCOC(=O)C=C,"InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h4H,2-3,5-10H2,1H3",ANISOHQJBAQUQP-UHFFFAOYSA-N,C11H20O2,184.27,184.1463299,4,26.3,141,0,0,2,9,13,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANESULFONOTHIOIC ACID, S-METHYL ESTER",002949-92-0,18064,methylsulfonylsulfanylmethane,CSS(=O)(=O)C,"InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3",XYONNSVDNIRXKZ-UHFFFAOYSA-N,C2H6O2S2,126.2,125.9809218,0,67.8,106,0,0,3,1,6,,266.00 to 267.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHENESULFONIC ACID, SODIUM SALT",003039-83-6,3270262,sodium ethenesulfonate,C=CS(=O)(=O)[O-].[Na+],"InChI=1S/C2H4O3S.Na/c1-2-6(3,4)5;/h2H,1H2,(H,3,4,5);/q;+1/p-1",BWYYYTVSBPRQCN-UHFFFAOYSA-M,C2H3NaO3S,130.1,129.9700594,,65.6,130,0,0,3,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-IODODODECANE,004292-19-7,20282,1-iodododecane,CCCCCCCCCCCCI,"InChI=1S/C12H25I/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3",GCDPERPXPREHJF-UHFFFAOYSA-N,C12H25I,296.23,296.1001,7.4,0,81,0,0,0,10,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-METHYLPROPENOIC ACID 2-BROMOETHYL ESTER,004513-56-8,78271,2-bromoethyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCBr,"InChI=1S/C6H9BrO2/c1-5(2)6(8)9-4-3-7/h1,3-4H2,2H3",AOUSBQVEVZBMNI-UHFFFAOYSA-N,C6H9BrO2,193.04,191.97859,1.9,26.3,120,0,0,2,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CARBONOHYDRAZONIC DIHYDRAZIDE, MONOHYDROCHLORIDE",005329-29-3,79235,"1,2,3-triaminoguanidine;hydrochloride",C(=NN)(NN)NN.Cl,"InChI=1S/CH8N6.ClH/c2-5-1(6-3)7-4;/h2-4H2,(H2,5,6,7);1H",OJUDFURAIYFYBP-UHFFFAOYSA-N,CH9ClN6,140.58,140.057722,,114,58,0,6,4,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,4-DIBROMO-2,3-BUTANEDIONE",006305-43-7,22747,"1,4-dibromobutane-2,3-dione",C(C(=O)C(=O)CBr)Br,InChI=1S/C4H4Br2O2/c5-1-3(7)4(8)2-6/h1-2H2,RZMOICJDRADLCT-UHFFFAOYSA-N,C4H4Br2O2,243.88,243.85576,1.2,34.1,96,0,0,2,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-METHOXYETHYL METHACRYLATE,006976-93-8,81466,2-methoxyethyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCOC,"InChI=1S/C7H12O3/c1-6(2)7(8)10-5-4-9-3/h1,4-5H2,2-3H3",YXYJVFYWCLAXHO-UHFFFAOYSA-N,C7H12O3,144.17,144.0786442,1,35.5,129,0,0,3,5,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,1,0,1
DL-ARGININE,007200-25-1,232,2-amino-5-(diaminomethylideneamino)pentanoic acid,C(CC(C(=O)O)N)CN=C(N)N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)",ODKSFYDXXFIFQN-UHFFFAOYSA-N,C6H14N4O2,174.2,174.1116757,-4.2,128,176,0,4,4,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Sodium Acrylate,007446-81-3,4068533,sodium prop-2-enoate,C=CC(=O)[O-].[Na+],"InChI=1S/C3H4O2.Na/c1-2-3(4)5;/h2H,1H2,(H,4,5);/q;+1/p-1",NNMHYFLPFNGQFZ-UHFFFAOYSA-M,C3H3NaO2,94.04,94.00307362,,40.1,59,0,0,2,1,6,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
PLATINUM DIIODIDE,007790-39-8,82252,platinum(2+) diiodide,[I-].[I-].[Pt+2],InChI=1S/2HI.Pt/h2*1H;/q;;+2/p-2,ZXDJCKVQKCNWEI-UHFFFAOYSA-L,I2Pt,448.89,448.77374,,0,0,0,0,2,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
2-PROPYLHEPTAN-1-OL,010042-59-8,24847,2-propylheptan-1-ol,CCCCCC(CCC)CO,"InChI=1S/C10H22O/c1-3-5-6-8-10(9-11)7-4-2/h10-11H,3-9H2,1-2H3",YLQLIQIAXYRMDL-UHFFFAOYSA-N,C10H22O,158.28,158.1670653,3.8,20.2,71,0,1,1,7,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
MAGNESIUM IODIDE,010377-58-9,66322,magnesium diiodide,[Mg+2].[I-].[I-],InChI=1S/2HI.Mg/h2*1H;/q;;+2/p-2,BLQJIBCZHWBKSL-UHFFFAOYSA-L,I2Mg,278.114,277.79399,,0,2,0,0,2,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
HAFNIUM BORIDE (HFB2) Powder,012007-23-7,6336857,,[B].[B].[Hf],InChI=1S/2B.Hf,LRTTZMZPZHBOPO-UHFFFAOYSA-N,B2Hf,200.11,201.96517,,0,0,0,0,0,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NIOBIUM SODIUM OXIDE (NBNAO3),012034-09-2,4682396,sodium oxido(dioxo)niobium,[O-][Nb](=O)=O.[Na+],InChI=1S/Na.Nb.3O/q+1;;;;-1,UYLYBEXRJGPQSH-UHFFFAOYSA-N,NaNbO3,163.894,163.88089,,57.2,49,0,0,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NIOBIUM OXIDE (NBO2),012034-59-2,82839,dioxoniobium,O=[Nb]=O,InChI=1S/Nb.2O,HFLAMWCKUFHSAZ-UHFFFAOYSA-N,NbO2,124.905,124.8962,,34.1,18,0,0,2,0,3,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
TERBIUM OXIDE (TB2O3),012036-41-8,159410,tris(oxygen(2-));bis(terbium(3+)),[O-2].[O-2].[O-2].[Tb+3].[Tb+3],InChI=1S/3O.2Tb/q3*-2;2*+3,SCRZPWWVSXWCMC-UHFFFAOYSA-N,O3Tb2,365.849,365.83545,,3,0,0,0,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TANTALUM (IV) SULFIDE,012143-72-5,82945,bis(sulfanylidene)tantalum,S=[Ta]=S,InChI=1S/2S.Ta,FAWYJKSBSAKOFP-UHFFFAOYSA-N,S2Ta,245.08,244.89214,,64.2,18,0,0,2,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PENTACOPPER SILICIDE,012159-07-8,6336988,,[Si].[Cu].[Cu].[Cu].[Cu].[Cu],InChI=1S/5Cu.Si,JUZTWRXHHZRLED-UHFFFAOYSA-N,Cu5Si,345.81,344.6231,,0,0,0,0,0,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PALLADIUM BROMIDE (PDBR2),013444-94-5,83469,dibromopalladium,Br[Pd]Br,InChI=1S/2BrH.Pd/h2*1H;/q;;+2/p-2,INIOZDBICVTGEO-UHFFFAOYSA-L,Br2Pd,266.23,265.73811,,0,2,0,0,0,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM TETRACHLOROAURATE,013682-61-6,11337898,potassium tetrachlorogold(1-),Cl[Au-](Cl)(Cl)Cl.[K+],InChI=1S/Au.4ClH.K/h;4*1H;/q+3;;;;;+1/p-4,JMONCQYBAMKVQQ-UHFFFAOYSA-J,AuCl4K,377.9,377.802737,,0,19,0,0,1,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N-((1,1-DIMETHYLETHOXY)CARBONYL)-L-VALINE",013734-41-3,83693,(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid,CC(C)[C@@H](C(=O)O)NC(=O)OC(C)(C)C,"InChI=1S/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)/t7-/m0/s1",SZXBQTSZISFIAO-ZETCQYMHSA-N,C10H19NO4,217.26,217.1314081,1.5,75.6,242,0,2,4,5,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(2S)-2-HYDROXY-4-METHYL-PENTANOIC ACID,013748-90-8,83697,(2S)-2-hydroxy-4-methylpentanoic acid,CC(C)C[C@@H](C(=O)O)O,"InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m0/s1",LVRFTAZAXQPQHI-YFKPBYRVSA-N,C6H12O3,132.16,132.0786442,0.9,57.5,98,0,2,3,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
LANTHANUM TRIIODIDE,013813-22-4,83743,triiodolanthanum,I[La](I)I,InChI=1S/3HI.La/h3*1H;/q;;;+3/p-3,KYKBXWMMXCGRBA-UHFFFAOYSA-K,I3La,519.6189,519.6198,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIPOTASSIUM PALLADIUM TETRANITRITE,013844-89-8,18763730,dipotassium;palladium;tetranitrite,N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].[K+].[K+].[Pd],"InChI=1S/2K.4HNO2.Pd/c;;4*2-1-3;/h;;4*(H,2,3);/q2*+1;;;;;/p-4",QZDIEKDUJYMSIK-UHFFFAOYSA-J,K2N4O8Pd-2,368.64,367.80251,,210,59,-2,0,12,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TERBIUM BROMIDE (TBBR3),014456-47-4,84452,terbium(3+) tribromide,[Br-].[Br-].[Br-].[Tb+3],InChI=1S/3BrH.Tb/h3*1H;/q;;;+3/p-3,AZNZWHYYEIQIOC-UHFFFAOYSA-K,Br3Tb,398.64,397.67832,,0,0,0,0,3,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DYSPROSIUM BROMIDE (DYBR3),014456-48-5,84453,dysprosium(3+) tribromide,[Br-].[Br-].[Br-].[Dy+3],InChI=1S/3BrH.Dy/h3*1H;/q;;;+3/p-3,GBLDKMKYYYAAKD-UHFFFAOYSA-K,Br3Dy,402.21,402.68214,,0,0,0,0,3,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ISOTRIDECANOL,027458-92-0,33865,11-methyldodecan-1-ol,CC(C)CCCCCCCCCCO,"InChI=1S/C13H28O/c1-13(2)11-9-7-5-3-4-6-8-10-12-14/h13-14H,3-12H2,1-2H3",XUJLWPFSUCHPQL-UHFFFAOYSA-N,C13H28O,200.36,200.2140155,5.4,20.2,99,0,1,1,10,14,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
2-BUTYLOCTANOIC ACID,027610-92-0,33970,2-butyloctanoic acid,CCCCCCC(CCCC)C(=O)O,"InChI=1S/C12H24O2/c1-3-5-7-8-10-11(12(13)14)9-6-4-2/h11H,3-10H2,1-2H3,(H,13,14)",OARDBPIZDHVTCK-UHFFFAOYSA-N,C12H24O2,200.32,200.17763,4.3,37.3,143,0,1,2,9,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHYLNONANOIC ACID,045019-28-1,62003,4-methylnonanoic acid,CCCCCC(C)CCC(=O)O,"InChI=1S/C10H20O2/c1-3-4-5-6-9(2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)",WQTZCQIRCYSUBQ-UHFFFAOYSA-N,C10H20O2,172.26,172.1463299,3.6,37.3,121,0,1,2,7,12,,292.00 to 293.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ALPHA.-(1-OXO-2-PROPENYL)-.OMEGA.-HYDROXYPOLY[OXY(METHYL-1,2-ETHANEDIYL)]",050858-51-0,5748640,[(2R)-1-hydroxypropan-2-yl] prop-2-enoate,C[C@H](CO)OC(=O)C=C,"InChI=1S/C6H10O3/c1-3-6(8)9-5(2)4-7/h3,5,7H,1,4H2,2H3/t5-/m1/s1",UXYMHGCNVRUGNO-RXMQYKEDSA-N,C6H10O3,130.14,130.0629942,0.5,46.5,109,0,1,3,4,9,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
10-BROMO-1-DECANOL,053463-68-6,104507,10-bromodecan-1-ol,C(CCCCCBr)CCCCO,"InChI=1S/C10H21BrO/c11-9-7-5-3-1-2-4-6-8-10-12/h12H,1-10H2",LGZMUUBPTDRQQM-UHFFFAOYSA-N,C10H21BrO,237.18,236.07758,4.4,20.2,76,0,1,1,9,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHOXYMETHYLOCTADECYLSILANE,067859-75-0,105838,diethoxy-methyl-octadecylsilane,CCCCCCCCCCCCCCCCCC[Si](C)(OCC)OCC,"InChI=1S/C23H50O2Si/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(4,24-6-2)25-7-3/h5-23H2,1-4H3",DJVQMRRXRRBRIH-UHFFFAOYSA-N,C23H50O2Si,386.7,386.3580074,,18.5,265,0,0,2,21,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-HYDROXY-3-((2-HYDROXY-1,1-BIS(HYDROXYMETHYL)ETHYL)AMINO)PROPANESULPHONIC ACID",068399-81-5,109334,"3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-hydroxypropane-1-sulfonic acid",C(C(CS(=O)(=O)O)O)NC(CO)(CO)CO,"InChI=1S/C7H17NO7S/c9-3-7(4-10,5-11)8-1-6(12)2-16(13,14)15/h6,8-12H,1-5H2,(H,13,14,15)",RZQXOGQSPBYUKH-UHFFFAOYSA-N,C7H17NO7S,259.28,259.0725731,-6.4,156,273,0,6,8,8,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHOXYDIMETHYLOCTADECYLSILANE,071808-65-6,172903,methoxy-dimethyl-octadecylsilane,CCCCCCCCCCCCCCCCCC[Si](C)(C)OC,"InChI=1S/C21H46OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(3,4)22-2/h5-21H2,1-4H3",RUFRLNPHRPYBLF-UHFFFAOYSA-N,C21H46OSi,342.7,342.3317926,,9.2,228,0,0,1,18,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(3-BROMOPROPYL)TRIMETHOXYSILANE,051826-90-5,103984,3-bromopropyl(trimethoxy)silane,CO[Si](CCCBr)(OC)OC,"InChI=1S/C6H15BrO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4-6H2,1-3H3",GLISZRPOUBOZDL-UHFFFAOYSA-N,C6H15BrO3Si,243.17,241.99738,,27.7,89,0,0,3,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEXADECYLDIMETHYL(3-SULPHONATOPROPYL)AMMONIUM,002281-11-0,92176,3-[hexadecyl(dimethyl)azaniumyl]propane-1-sulfonate,CCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-],"InChI=1S/C21H45NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(2,3)20-18-21-26(23,24)25/h4-21H2,1-3H3",TUBRCQBRKJXJEA-UHFFFAOYSA-N,C21H45NO3S,391.7,391.3120155,7.2,65.6,389,0,0,3,18,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIMETHYL(3-SULPHONATOPROPYL)TETRADECYLAMMONIUM,014933-09-6,84705,3-[dimethyl(tetradecyl)azaniumyl]propane-1-sulfonate,CCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-],"InChI=1S/C19H41NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(2,3)18-16-19-24(21,22)23/h4-19H2,1-3H3",BHATUINFZWUDIX-UHFFFAOYSA-N,C19H41NO3S,363.6,363.2807153,6.1,65.6,361,0,0,3,16,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Tetrakis(Acetonitrile)Copper (I) Hexafluorophosphate,064443-05-6,11068737,tetrakis(acetonitrile);copper(1+);hexafluorophosphate,CC#N.CC#N.CC#N.CC#N.F[P-](F)(F)(F)(F)F.[Cu+],"InChI=1S/4C2H3N.Cu.F6P/c4*1-2-3;;1-7(2,3,4,5)6/h4*1H3;;/q;;;;+1;-1",GNQXUMGHBSAQBV-UHFFFAOYSA-N,C8H12CuF6N4P,372.72,371.999974,,95.2,92,0,0,11,0,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Geranylgeraniol,024034-73-9,5281365,"(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol",CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)C,"InChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13+,20-15+",OJISWRZIEWCUBN-QIRCYJPOSA-N,C20H34O,290.5,290.2609657,6.6,20.2,390,0,1,1,10,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-Oxopentanoic Acid,001821-02-9,74563,2-oxopentanoic acid,CCCC(=O)C(=O)O,"InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8)",KDVFRMMRZOCFLS-UHFFFAOYSA-N,C5H8O3,116.11,116.0473441,0.5,54.4,106,0,1,3,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Oxohexanoic Acid, Sodium Salt",013022-85-0,23669158,sodium 2-oxohexanoate,CCCCC(=O)C(=O)[O-].[Na+],"InChI=1S/C6H10O3.Na/c1-2-3-4-5(7)6(8)9;/h2-4H2,1H3,(H,8,9);/q;+1/p-1",WDCARDDLMCHULC-UHFFFAOYSA-M,C6H9NaO3,152.12,152.0449384,,57.2,122,0,0,3,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"D-xylo-hexulosonic acid, potassium salt",091446-96-7,23702137,"potassium (2R,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexanoate",C(C(=O)[C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O.[K+],"InChI=1S/C6H10O7.K/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h3-5,7,9-11H,1H2,(H,12,13);/q;+1/p-1/t3-,4+,5-;/m1./s1",GSFHMOMWXNDPMM-YMDUGQBDSA-M,C6H9KO7,232.23,231.9985341,,138,206,0,4,7,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Dodecyldimethylethylammonium Bromide,068207-00-1,9880197,dodecyl-ethyl-dimethylazanium bromide,CCCCCCCCCCCC[N+](C)(C)CC.[Br-],"InChI=1S/C16H36N.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17(3,4)6-2;/h5-16H2,1-4H3;1H/q+1;/p-1",FFGSPQDSOUPWGY-UHFFFAOYSA-M,C16H36BrN,322.37,321.20311,,0,152,0,0,1,12,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Albizziin,001483-07-4,92891,(2S)-2-amino-3-(carbamoylamino)propanoic acid,C([C@@H](C(=O)O)N)NC(=O)N,"InChI=1S/C4H9N3O3/c5-2(3(8)9)1-7-4(6)10/h2H,1,5H2,(H,8,9)(H3,6,7,10)/t2-/m0/s1",GZYFIMLSHBLMKF-REOHCLBHSA-N,C4H9N3O3,147.13,147.0643912,-4.6,118,147,0,4,4,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-(3,3,3-Trimethyl-1,1-bis((trimethylsilyl)oxy)disiloxanyl)propyl methacrylate",017096-07-0,123371,3-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,"InChI=1S/C16H38O5Si4/c1-15(2)16(17)18-13-12-14-25(19-22(3,4)5,20-23(6,7)8)21-24(9,10)11/h1,12-14H2,2-11H3",BESKSSIEODQWBP-UHFFFAOYSA-N,C16H38O5Si4,422.8,422.1796305,,54,420,0,0,5,12,25,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
Hexyldimethyloctylammonium Bromide,187731-26-6,44630344,hexyl-dimethyl-octylazanium bromide,CCCCCCCC[N+](C)(C)CCCCCC.[Br-],"InChI=1S/C16H36N.BrH/c1-5-7-9-11-12-14-16-17(3,4)15-13-10-8-6-2;/h5-16H2,1-4H3;1H/q+1;/p-1",KIEOLZRKTOBVMX-UHFFFAOYSA-M,C16H36BrN,322.37,321.20311,,0,152,0,0,1,12,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-(Trimethylsilyl)Propionic-2,2,3,3-D4 Acid, Sodium Salt, 98 Atom % D",024493-21-8,23688921,"sodium 2,2,3,3-tetradeuterio-3-trimethylsilylpropanoate",[2H]C([2H])(C(=O)[O-])C([2H])([2H])[Si](C)(C)C.[Na+],"InChI=1S/C6H14O2Si.Na/c1-9(2,3)5-4-6(7)8;/h4-5H2,1-3H3,(H,7,8);/q;+1/p-1/i4D2,5D2;",OIIWPAYIXDCDNL-HGFPCDIYSA-M,C6H13NaO2Si,172.27,172.0833575,,40.1,109,0,0,2,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-OCTAN-D17-OL,153336-13-1,16212925,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecadeuteriooctan-1-ol",[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O,"InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2",KBPLFHHGFOOTCA-OISRNESJSA-N,C8H18O,147.33,147.2424699,3,20.2,43,0,1,1,6,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GADOLINIUM(III) CARBONATE HYDRATE,038245-36-2,16212943,bis(gadolinium(3+));tricarbonate;hydrate,C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].O.[Gd+3].[Gd+3],"InChI=1S/3CH2O3.2Gd.H2O/c3*2-1(3)4;;;/h3*(H2,2,3,4);;;1H2/q;;;2*+3;/p-6",MXYFVHNBWNHETM-UHFFFAOYSA-H,C3H2Gd2O10,512.54,515.81597,,191,18,0,1,10,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5,7-EICOSADIYNOIC ACID",069288-29-5,2758733,"icosa-5,7-diynoic acid",CCCCCCCCCCCCC#CC#CCCCC(=O)O,"InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-12,17-19H2,1H3,(H,21,22)",HFELYOMSJFEHGV-UHFFFAOYSA-N,C20H32O2,304.5,304.2402303,7.4,37.3,396,0,1,2,14,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"8,10-HENICOSADIYNOIC ACID",174063-95-7,2759256,"henicosa-8,10-diynoic acid",CCCCCCCCCCC#CC#CCCCCCCC(=O)O,"InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-10,15-20H2,1H3,(H,22,23)",IQQJOZKPAQNXRX-UHFFFAOYSA-N,C21H34O2,318.5,318.2558803,7.2,37.3,410,0,1,2,15,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
12-MERCAPTODODECANOIC ACID,082001-53-4,566670,12-sulfanyldodecanoic acid,C(CCCCCC(=O)O)CCCCCS,"InChI=1S/C12H24O2S/c13-12(14)10-8-6-4-2-1-3-5-7-9-11-15/h15H,1-11H2,(H,13,14)",SDAWVOFJSUUKMR-UHFFFAOYSA-N,C12H24O2S,232.38,232.1497012,4.6,38.3,149,0,2,3,11,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXY-2-METHYLBUTYRIC ACID,003739-30-8,95433,2-hydroxy-2-methylbutanoic acid,CCC(C)(C(=O)O)O,"InChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7)",MBIQENSCDNJOIY-UHFFFAOYSA-N,C5H10O3,118.13,118.0629942,0.3,57.5,99,0,2,3,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SCANDIUM (III) TRIFLATE,144026-79-9,57451379,scandium;trifluoromethanesulfonic acid,C(F)(F)(F)S(=O)(=O)O.[Sc],"InChI=1S/CHF3O3S.Sc/c2-1(3,4)8(5,6)7;/h(H,5,6,7);",QUJLPICXDXFRSN-UHFFFAOYSA-N,CHF3O3SSc,195.04,194.915757,,62.8,158,0,1,6,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-OXO-HEXANEDIOIC ACID,003184-35-8,71,2-oxohexanedioic acid,C(CC(=O)C(=O)O)CC(=O)O,"InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)",FGSBNBBHOZHUBO-UHFFFAOYSA-N,C6H8O5,160.12,160.0371734,-0.5,91.7,183,0,2,5,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SAMARIUM (III) CARBONATE HYDRATE,038245-37-3,16213073,bis(samarium(3+));tricarbonate;hydrate,C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].O.[Sm+3].[Sm+3],"InChI=1S/3CH2O3.H2O.2Sm/c3*2-1(3)4;;;/h3*(H2,2,3,4);1H2;;/q;;;;2*+3/p-6",UBJWOAORLTVVQC-UHFFFAOYSA-H,C3H2O10Sm2,498.8,503.80675,,191,18,0,1,10,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHORIC ACID, CALCIUM SALT (2:1), MONOHYDRATE",010031-30-8,10198893,calcium;bis(dihydrogen phosphate);hydrate,O.OP(=O)(O)[O-].OP(=O)(O)[O-].[Ca+2],"InChI=1S/Ca.2H3O4P.H2O/c;2*1-5(2,3)4;/h;2*(H3,1,2,3,4);1H2/q+2;;;/p-2",ZBZJARSYCHAEND-UHFFFAOYSA-L,CaH6O9P2,252.07,251.9112966,,162,49,0,5,9,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"D-CYSTEINE HYDROCHLORIDE, MONOHYDRATE",207121-46-8,10176341,(2S)-2-amino-3-sulfanylpropanoic acid;hydrate;hydrochloride,C([C@H](C(=O)O)N)S.O.Cl,"InChI=1S/C3H7NO2S.ClH.H2O/c4-2(1-7)3(5)6;;/h2,7H,1,4H2,(H,5,6);1H;1H2/t2-;;/m1../s1",QIJRTFXNRTXDIP-YBBRRFGFSA-N,C3H10ClNO3S,175.64,175.006992,,65.3,75,0,5,5,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-FLUORO-DL-VALINE,043163-94-6,338887,2-amino-3-fluoro-3-methylbutanoic acid,CC(C)(C(C(=O)O)N)F,"InChI=1S/C5H10FNO2/c1-5(2,6)3(7)4(8)9/h3H,7H2,1-2H3,(H,8,9)",ZFUKCHCGMBNYHH-UHFFFAOYSA-N,C5H10FNO2,135.14,135.0695567,-1.7,63.3,124,0,2,4,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIAMIDE,010465-78-8,4278,"3-(dimethylcarbamoylimino)-1,1-dimethylurea",CN(C)C(=O)N=NC(=O)N(C)C,InChI=1S/C6H12N4O2/c1-9(2)5(11)7-8-6(12)10(3)4/h1-4H3,VLSDXINSOMDCBK-UHFFFAOYSA-N,C6H12N4O2,172.19,172.0960256,0.2,65.3,188,0,0,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DL-2-AMINO-4-PHOSPHONOBUTYRIC ACID,020263-07-4,2207,2-amino-4-phosphonobutanoic acid,C(CP(=O)(O)O)C(C(=O)O)N,"InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)",DDOQBQRIEWHWBT-UHFFFAOYSA-N,C4H10NO5P,183.1,183.0296594,-5.5,121,187,0,4,6,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-PHOSPHONO-DL-NORVALINE,076326-31-3,1216,2-amino-5-phosphonopentanoic acid,C(CC(C(=O)O)N)CP(=O)(O)O,"InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)",VOROEQBFPPIACJ-UHFFFAOYSA-N,C5H12NO5P,197.13,197.0453095,-5.3,121,200,0,4,6,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
O-METHYL-L-THREONINE,004144-02-9,2724875,"(2S,3R)-2-amino-3-methoxybutanoic acid",C[C@H]([C@@H](C(=O)O)N)OC,"InChI=1S/C5H11NO3/c1-3(9-2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t3-,4+/m1/s1",FYCWLJLGIAUCCL-DMTCNVIQSA-N,C5H11NO3,133.15,133.0738932,-3.1,72.6,104,0,2,4,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-VALINE AMIDE HYDROCHLORIDE,003014-80-0,13689583,(2S)-2-amino-3-methylbutanamide;hydrochloride,CC(C)[C@@H](C(=O)N)N.Cl,"InChI=1S/C5H12N2O.ClH/c1-3(2)4(6)5(7)8;/h3-4H,6H2,1-2H3,(H2,7,8);1H/t4-;/m0./s1",XFCNYSGKNAWXFL-WCCKRBBISA-N,C5H13ClN2O,152.62,152.0716407,,69.1,90,0,3,2,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-OXOHEXANEDIOIC ACID,000689-31-6,93,3-oxohexanedioic acid,C(CC(=O)O)C(=O)CC(=O)O,"InChI=1S/C6H8O5/c7-4(3-6(10)11)1-2-5(8)9/h1-3H2,(H,8,9)(H,10,11)",RTGHRDFWYQHVFW-UHFFFAOYSA-N,C6H8O5,160.12,160.0371734,-0.9,91.7,183,0,2,5,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAETHYLENE GLYCOL MONOCTYL ETHER,019327-39-0,5414,2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethanol,CCCCCCCCOCCOCCOCCOCCO,"InChI=1S/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3",FEOZZFHAVXYAMB-UHFFFAOYSA-N,C16H34O5,306.44,306.2406242,2.5,57.2,178,0,1,5,18,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIHEXYLTETRADECYLPHOSPHONIUM BROMIDE,654057-97-3,16218822,trihexyl(tetradecyl)phosphanium bromide,CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.[Br-],"InChI=1S/C32H68P.BrH/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;/h5-32H2,1-4H3;1H/q+1;/p-1",RJELOMHXBLDMDB-UHFFFAOYSA-M,C32H68BrP,563.8,562.4242,,0,319,0,0,1,28,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ZINC 2,4-PENTANEDIONATE MONOHYDRATE",014363-15-6,22328167,"zinc;pentane-2,4-dione;hydrate",CC(=O)CC(=O)C.O.[Zn+2],"InChI=1S/C5H8O2.H2O.Zn/c1-4(6)3-5(2)7;;/h3H2,1-2H3;1H2;/q;;+2",GYMZUQXEZFRMTN-UHFFFAOYSA-N,C5H10O3Zn+2,183.5,181.992136,,35.1,82,2,1,3,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FORMAMIDINIUM CHLORIDE,006313-33-3,10313058,methanimidamide;hydrochloride,C(=N)N.Cl,"InChI=1S/CH4N2.ClH/c2-1-3;/h1H,(H3,2,3);1H",NMVVJCLUYUWBSZ-UHFFFAOYSA-N,CH5ClN2,80.52,80.0141259,,49.9,10,0,3,1,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-MERCAPTOHEXANOIC ACID,017689-17-7,329113,6-sulfanylhexanoic acid,C(CCC(=O)O)CCS,"InChI=1S/C6H12O2S/c7-6(8)4-2-1-3-5-9/h9H,1-5H2,(H,7,8)",CMNQZZPAVNBESS-UHFFFAOYSA-N,C6H12O2S,148.23,148.0558008,0.6,38.3,83,0,2,3,5,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
8-MERCAPTOOCTANOIC ACID,074328-61-3,156289,8-sulfanyloctanoic acid,C(CCCC(=O)O)CCCS,"InChI=1S/C8H16O2S/c9-8(10)6-4-2-1-3-5-7-11/h11H,1-7H2,(H,9,10)",FYEMIKRWWMYBFG-UHFFFAOYSA-N,C8H16O2S,176.28,176.0871009,0.9,38.3,104,0,2,3,7,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL-TRIOCTYLAMMONIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE,375395-33-8,16211009,bis(trifluoromethylsulfonyl)azanide;methyl(trioctyl)azanium,CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F,"InChI=1S/C25H54N.C2F6NO4S2/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-25H2,1-4H3;/q+1;-1",LAGQNGWYNLUQRI-UHFFFAOYSA-N,C27H54F6N2O4S2,648.9,648.3429195,,86,594,0,0,11,23,41,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(R)-(+)-2-METHYL-2-PROPANESULFINAMIDE,196929-78-9,10964479,(R)-2-methylpropane-2-sulfinamide,CC(C)(C)[S@@](=O)N,"InChI=1S/C4H11NOS/c1-4(2,3)7(5)6/h5H2,1-3H3/t7-/m1/s1",CESUXLKAADQNTB-SSDOTTSWSA-N,C4H11NOS,121.2,121.0561352,0,62.3,84,0,1,3,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FERRIC PHOSPHATE HYDRATE,051833-68-2,21410239,iron(3+);phosphate;hydrate,O.[O-]P(=O)([O-])[O-].[Fe+3],"InChI=1S/Fe.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2/q+3;;/p-3",RQKNQWUJROKKEQ-UHFFFAOYSA-K,FeH2O5P,168.83,168.898921,,87.3,36,0,1,5,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIETHYLSULFONIUM BIS(TRIFLUOROMETHANESULFONYLAMIDE),321746-49-0,16211135,bis(trifluoromethylsulfonyl)azanide;triethylsulfanium,CC[S+](CC)CC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F,"InChI=1S/C6H15S.C2F6NO4S2/c1-4-7(5-2)6-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-6H2,1-3H3;/q+1;-1",BLODSRKENWXTLO-UHFFFAOYSA-N,C8H15F6NO4S3,399.4,399.0067405,,87,399,0,0,11,5,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYL METHANESULFONYLACETATE,004455-15-6,78201,ethyl 2-methylsulfonylacetate,CCOC(=O)CS(=O)(=O)C,"InChI=1S/C5H10O4S/c1-3-9-5(6)4-10(2,7)8/h3-4H2,1-2H3",OCCWQCYBCZADCE-UHFFFAOYSA-N,C5H10O4S,166.2,166.02998,-0.1,68.8,198,0,0,4,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAMETHYLPHOSPHONIUM CHLORIDE,001941-19-1,16211846,tetramethylphosphanium chloride,C[P+](C)(C)C.[Cl-],"InChI=1S/C4H12P.ClH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1",NJFUXFRJVIXVSG-UHFFFAOYSA-M,C4H12ClP,126.56,126.0365151,,0,19,0,0,1,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LITHIUM NONAFLUORO-1-BUTANESULFONATE,131651-65-5,23681910,"lithium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate",[Li+].C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F,"InChI=1S/C4HF9O3S.Li/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h(H,14,15,16);/q;+1/p-1",FEDFHMISXKDOJI-UHFFFAOYSA-M,C4F9LiO3S,306.1,305.9584469,,65.6,393,0,0,12,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM METABORATE HYDRATE,015293-77-3,23670744,sodium;oxido(oxo)borane;hydrate,B(=O)[O-].O.[Na+],InChI=1S/BO2.Na.H2O/c2-1-3;;/h;;1H2/q-1;+1;,UYAQHLFAIDLZLE-UHFFFAOYSA-N,BH2NaO3,83.82,83.9994684,,41.1,13,0,1,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LANTHIONINE,003183-08-2,102950,2-amino-3-(2-amino-2-carboxyethyl)sulfanylpropanoic acid,C(C(C(=O)O)N)SCC(C(=O)O)N,"InChI=1S/C6H12N2O4S/c7-3(5(9)10)1-13-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)",DWPCPZJAHOETAG-UHFFFAOYSA-N,C6H12N2O4S,208.24,208.051778,-6.3,152,179,0,4,7,6,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM STANNATE TRIHYDRATE,012125-03-0,18694711,dipotassium;dioxido(oxo)tin;trihydrate,O.O.O.[O-][Sn](=O)[O-].[K+].[K+],InChI=1S/2K.3H2O.3O.Sn/h;;3*1H2;;;;/q2*+1;;;;;2*-1;,HTHDWDSBYOUAFF-UHFFFAOYSA-N,H6K2O6Sn,298.95,299.846053,,66.2,18,0,3,6,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SUCCINAMIC ACID,000638-32-4,12522,4-amino-4-oxobutanoic acid,C(CC(=O)O)C(=O)N,"InChI=1S/C4H7NO3/c5-3(6)1-2-4(7)8/h1-2H2,(H2,5,6)(H,7,8)",JDVPQXZIJDEHAN-UHFFFAOYSA-N,C4H7NO3,117.1,117.0425931,-1.2,80.4,110,0,2,3,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CHOLINE CHLORIDE-TRIMETHYL-D9,061037-86-3,16213539,2-hydroxyethyl-tris(trideuteriomethyl)azanium chloride,[2H]C([2H])([2H])[N+](CCO)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Cl-],"InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1/i1D3,2D3,3D3;",SGMZJAMFUVOLNK-KYRNGWDOSA-M,C5H14ClNO,148.68,148.1328825,,20.2,46,0,1,2,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIS(TRIMETHYLSILYL) PHOSPHITE,001795-31-9,137213,tris(trimethylsilyl) phosphite,C[Si](C)(C)OP(O[Si](C)(C)C)O[Si](C)(C)C,"InChI=1S/C9H27O3PSi3/c1-14(2,3)10-13(11-15(4,5)6)12-16(7,8)9/h1-9H3",VMZOBROUFBEGAR-UHFFFAOYSA-N,C9H27O3PSi3,298.54,298.1005613,,27.7,179,0,0,3,6,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ETHYL THIOOXAMATE,016982-21-1,2733398,ethyl 2-amino-2-sulfanylideneacetate,CCOC(=O)C(=S)N,"InChI=1S/C4H7NO2S/c1-2-7-4(6)3(5)8/h2H2,1H3,(H2,5,8)",YMBMCMOZIGSBOA-UHFFFAOYSA-N,C4H7NO2S,133.17,133.0197496,0.4,84.4,113,0,1,3,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TUNGSTEN DICHLORIDE DIOXIDE,013520-76-8,19092009,bis(oxygen(2-));tungsten;dichloride,[O-2].[O-2].[Cl-].[Cl-].[W],InChI=1S/2ClH.2O.W/h2*1H;;;/q;;2*-2;/p-2,DVBXMVWZPVBSJY-UHFFFAOYSA-L,Cl2O2W-6,286.74,285.878468,,2,0,-6,0,4,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BROMOOCTANE-D17,126840-36-6,16213278,"1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecadeuteriooctane",[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Br,"InChI=1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2",VMKOFRJSULQZRM-OISRNESJSA-N,C8H17Br,210.23,209.15807,4.9,0,43,0,0,0,6,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BIS(1,1,1,5,5,5-HEXAFLUOROPENTANE-2,4-DIONATO-O,O')PALLADIUM",064916-48-9,6450336,"bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);palladium(2+)",C(=C(\[O-])/C(F)(F)F)\C(=O)C(F)(F)F.C(=C(\[O-])/C(F)(F)F)\C(=O)C(F)(F)F.[Pd+2],"InChI=1S/2C5H2F6O2.Pd/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1,12H;/q;;+2/p-2/b2*2-1-;",OVIDFVVPPRGPGR-PAMPIZDHSA-L,C10H2F12O4Pd,520.52,519.87963,,80.3,210,0,0,16,2,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIETHYL 2-PHOSPHONOBUTYRATE,017145-91-4,229053,ethyl 2-diethoxyphosphorylbutanoate,CCC(C(=O)OCC)P(=O)(OCC)OCC,"InChI=1S/C10H21O5P/c1-5-9(10(11)13-6-2)16(12,14-7-3)15-8-4/h9H,5-8H2,1-4H3",GYUCVQSNZFRDRL-UHFFFAOYSA-N,C10H21O5P,252.24,252.1126608,1.4,61.8,244,0,0,5,9,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAETHYLENEPENTAMINE PENTAHYDROCHLORIDE,004961-41-5,10309252,"N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride",C(CNCCNCCNCCN)N.Cl.Cl.Cl.Cl.Cl,"InChI=1S/C8H23N5.5ClH/c9-1-3-11-5-7-13-8-6-12-4-2-10;;;;;/h11-13H,1-10H2;5*1H",VGICAQBLDJAGSJ-UHFFFAOYSA-N,C8H28Cl5N5,371.6,371.075784,,88.1,78,0,10,5,10,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-AZA-DL-LEUCINE DIHYDROCHLORIDE,102029-69-6,44134553,2-amino-3-(dimethylamino)propanoic acid;dihydrochloride,CN(C)CC(C(=O)O)N.Cl.Cl,"InChI=1S/C5H12N2O2.2ClH/c1-7(2)3-4(6)5(8)9;;/h4H,3,6H2,1-2H3,(H,8,9);2*1H",OZWNGZATZQMSHU-UHFFFAOYSA-N,C5H14Cl2N2O2,205.08,204.0432331,,66.6,103,0,4,4,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HYPOTAURINE,000300-84-5,107812,2-aminoethanesulfinic acid,C(CS(=O)O)N,"InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)",VVIUBCNYACGLLV-UHFFFAOYSA-N,C2H7NO2S,109.15,109.0197496,-1.5,82.5,55,0,2,4,2,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PALMITIC ACID-1-13C,057677-53-9,9881577,(113C)hexadecanoic acid,CCCCCCCCCCCCCCC[13C](=O)O,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i16+1",IPCSVZSSVZVIGE-LOYIAQTISA-N,C16H32O2,257.42,257.2435851,6.4,37.3,178,0,1,2,14,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DECANOIC ACID-1-13C,084600-66-8,12209363,(113C)decanoic acid,CCCCCCCCC[13C](=O)O,"InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)/i10+1",GHVNFZFCNZKVNT-DETAZLGJSA-N,C10H20O2,173.26,173.1496847,4.1,37.3,110,0,1,2,8,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIETHYLENE GLYCOL 2-BROMOETHYL METHYL ETHER,110429-45-3,19389132,1-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]-2-methoxyethane,COCCOCCOCCOCCBr,"InChI=1S/C9H19BrO4/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h2-9H2,1H3",YFFFQGXWMHAJPP-UHFFFAOYSA-N,C9H19BrO4,271.15,270.04667,0.4,36.9,103,0,0,4,11,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IRIDIUM (III) CHLORIDE HYDRATE,014996-61-3,16211477,trichloroiridium;hydrate,O.Cl[Ir](Cl)Cl,InChI=1S/3ClH.Ir.H2O/h3*1H;;1H2/q;;;+3;/p-3,MJRFDVWKTFJAPF-UHFFFAOYSA-K,Cl3H2IrO,316.59,315.88005,,1,8,0,1,1,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-PALMITOYL-D-ERYTHRO-SPHINGOSINE,024696-26-2,5283564,"N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]hexadecanamide",CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O,"InChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+/t32-,33+/m0/s1",YDNKGFDKKRUKPY-TURZORIXSA-N,C34H67NO3,537.9,537.512095,12.9,69.6,508,0,3,3,30,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-ALANINE, METHYL ESTER, HYDROCHLORIDE",002491-20-5,2733257,methyl (2S)-2-aminopropanoate;hydrochloride,C[C@@H](C(=O)OC)N.Cl,"InChI=1S/C4H9NO2.ClH/c1-3(5)4(6)7-2;/h3H,5H2,1-2H3;1H/t3-;/m0./s1",IYUKFAFDFHZKPI-DFWYDOINSA-N,C4H10ClNO2,139.58,139.0400063,,52.3,72,0,2,3,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM TRIFLUOROMETHANESULFINATE,002926-29-6,23690734,sodium trifluoromethanesulfinate,C(F)(F)(F)S(=O)[O-].[Na+],"InChI=1S/CHF3O2S.Na/c2-1(3,4)7(5)6;/h(H,5,6);/q;+1/p-1",KAVUKAXLXGRUCD-UHFFFAOYSA-M,CF3NaO2S,156.06,155.9468792,,59.3,89,0,0,6,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SPHINGOSINE 1-PHOSPHATE,026993-30-6,5283560,"[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate",CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O,"InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1",DUYSYHSSBDVJSM-KRWOKUGFSA-N,C18H38NO5P,379.5,379.2487603,1.9,113,372,0,4,6,17,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(2-AMINOETHYL)-11-AMINOUNDECYLTRIMETHOXYSILANE,121772-92-7,14171292,"N'-(11-trimethoxysilylundecyl)ethane-1,2-diamine",CO[Si](CCCCCCCCCCCNCCN)(OC)OC,"InChI=1S/C16H38N2O3Si/c1-19-22(20-2,21-3)16-12-10-8-6-4-5-7-9-11-14-18-15-13-17/h18H,4-17H2,1-3H3",MNEXIOKPOFUXLA-UHFFFAOYSA-N,C16H38N2O3Si,334.57,334.2651696,,65.7,221,0,2,5,17,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OXYTRIPROPOXYVANADIUM,001686-23-3,74313,oxovanadium;tris(propan-1-ol),CCCO.CCCO.CCCO.O=[V],"InChI=1S/3C3H8O.O.V/c3*1-2-3-4;;/h3*4H,2-3H2,1H3;;",SJNANEOQLCKOKB-UHFFFAOYSA-N,C9H24O4V,247.23,247.111417,,77.8,46,0,3,4,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(DODECYLTHIOCARBONOTHIOYLTHIO)PROPIONIC ACID,558484-21-2,59347140,2-dodecylsulfanylcarbothioylsulfanylpropanoic acid,CCCCCCCCCCCCSC(=S)SC(C)C(=O)O,"InChI=1S/C16H30O2S3/c1-3-4-5-6-7-8-9-10-11-12-13-20-16(19)21-14(2)15(17)18/h14H,3-13H2,1-2H3,(H,17,18)",CFCFZJHCTNKHGJ-UHFFFAOYSA-N,C16H30O2S3,350.6,350.1407937,7.8,120,283,0,1,5,15,21,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
7-TRIDECANONE,000462-18-0,10015,tridecan-7-one,CCCCCCC(=O)CCCCCC,"InChI=1S/C13H26O/c1-3-5-7-9-11-13(14)12-10-8-6-4-2/h3-12H2,1-2H3",ULIAPOFMBCCSPE-UHFFFAOYSA-N,C13H26O,198.34,198.1983654,4.9,17.1,115,0,0,1,10,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-ISOPROPYLMALIC ACID,016048-89-8,36,2-hydroxy-3-propan-2-ylbutanedioic acid,CC(C)C(C(C(=O)O)O)C(=O)O,"InChI=1S/C7H12O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-5,8H,1-2H3,(H,9,10)(H,11,12)",RNQHMTFBUSSBJQ-UHFFFAOYSA-N,C7H12O5,176.17,176.0684735,0,94.8,186,0,3,5,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIS-D11,202656-13-1,16212934,"N,N,1,1,3,3-hexadeuterio-1,3-dideuteriooxy-2-[dideuterio(deuteriooxy)methyl]propan-2-amine",[2H]C([2H])(C(C([2H])([2H])O[2H])(C([2H])([2H])O[2H])N([2H])[2H])O[2H],"InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/i1D2,2D2,3D2,6D,7D,8D/hD2",LENZDBCJOHFCAS-RNVFPDRBSA-N,C4H11NO3,132.2,132.1429374,-2.9,86.7,54,0,4,4,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHYL AMINOMALONATE HYDROCHLORIDE,013433-00-6,3084143,diethyl 2-aminopropanedioate;hydrochloride,CCOC(=O)C(C(=O)OCC)N.Cl,"InChI=1S/C7H13NO4.ClH/c1-3-11-6(9)5(8)7(10)12-4-2;/h5H,3-4,8H2,1-2H3;1H",GLFVNTDRBTZJIY-UHFFFAOYSA-N,C7H14ClNO4,211.64,211.0611356,,78.6,151,0,2,5,6,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LACTAMIDE,002043-43-8,94220,2-hydroxypropanamide,CC(C(=O)N)O,"InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)",SXQFCVDSOLSHOQ-UHFFFAOYSA-N,C3H7NO2,89.09,89.04767847,-1.1,63.3,61,0,2,2,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAETHYLAMMONIUM BICARBONATE,017351-61-0,11805541,hydrogen carbonate;tetraethylazanium,CC[N+](CC)(CC)CC.C(=O)(O)[O-],"InChI=1S/C8H20N.CH2O3/c1-5-9(6-2,7-3)8-4;2-1(3)4/h5-8H2,1-4H3;(H2,2,3,4)/q+1;/p-1",XUBMPLUQNSSFHO-UHFFFAOYSA-M,C9H21NO3,191.27,191.1521435,,60.4,72,0,1,3,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHYLENE GLYCOL 2-BROMOETHYL METHYL ETHER,072593-77-2,13230355,1-[2-(2-bromoethoxy)ethoxy]-2-methoxyethane,COCCOCCOCCBr,"InChI=1S/C7H15BrO3/c1-9-4-5-11-7-6-10-3-2-8/h2-7H2,1H3",LCCCTXULXHJDLA-UHFFFAOYSA-N,C7H15BrO3,227.1,226.02046,0.4,27.7,70,0,0,3,8,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DODECYLBORONIC ACID,003088-79-7,18184039,dodecylboronic acid,B(CCCCCCCCCCCC)(O)O,"InChI=1S/C12H27BO2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h14-15H,2-12H2,1H3",UMJURJHHLVYBFY-UHFFFAOYSA-N,C12H27BO2,214.15,214.2104103,,40.5,118,0,2,2,11,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-TETRADECYL-D29 ALCOHOL,284474-78-8,16217412,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosadeuteriotetradecan-1-ol",[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O,"InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2",HLZKNKRTKFSKGZ-AUFKXYATSA-N,C14H30O,243.56,243.4116912,6.2,20.2,102,0,1,1,12,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
N-HEXADECYL-D33 ALCOHOL,284474-73-3,71310294,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-tritriacontadeuteriohexadecan-1-ol",[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O,"InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2",BXWNKGSJHAJOGX-TUWMXWROSA-N,C16H34O,275.64,275.4680983,7.3,20.2,123,0,1,1,14,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
14-METHYLHEXADECANOIC ACID,005918-29-6,22207,14-methylhexadecanoic acid,CCC(C)CCCCCCCCCCCCC(=O)O,"InChI=1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)",FXUKWLSZZHVEJD-UHFFFAOYSA-N,C17H34O2,270.5,270.2558803,6.6,37.3,201,0,1,2,14,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-FORMYLMETHIONINE,004289-98-9,439750,(2S)-2-formamido-4-methylsulfanylbutanoic acid,CSCC[C@@H](C(=O)O)NC=O,"InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1",PYUSHNKNPOHWEZ-YFKPBYRVSA-N,C6H11NO3S,177.22,177.0459644,0.2,91.7,140,0,2,4,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CARBOXYETHYLGERMANIUM SESQUIOXIDE,012758-40-6,83030,3-[[2-carboxyethyl(oxo)germyl]oxy-oxogermyl]propanoic acid,C(C[Ge](=O)O[Ge](=O)CCC(=O)O)C(=O)O,"InChI=1S/C6H10Ge2O7/c9-5(10)1-3-7(13)15-8(14)4-2-6(11)12/h1-4H2,(H,9,10)(H,11,12)",XEABSBMNTNXEJM-UHFFFAOYSA-N,C6H10Ge2O7,339.4,339.8859062,,118,259,0,2,7,8,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6,8-DIMERCAPTOOCTANOIC ACID",000462-20-4,421,"6,8-bis(sulfanyl)octanoic acid",C(CCC(=O)O)CC(CCS)S,"InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)",IZFHEQBZOYJLPK-UHFFFAOYSA-N,C8H16O2S2,208.3,208.0591721,1.8,39.3,128,0,3,4,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OCTAFLUOROPENTYL METHACRYLATE,000355-93-1,67739,"2,2,3,3,4,4,5,5-octafluoropentyl 2-methylprop-2-enoate",CC(=C)C(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F,"InChI=1S/C9H8F8O2/c1-4(2)5(18)19-3-7(12,13)9(16,17)8(14,15)6(10)11/h6H,1,3H2,2H3",ZNJXRXXJPIFFAO-UHFFFAOYSA-N,C9H8F8O2,300.15,300.0396548,3.9,26.3,363,0,0,10,7,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAMETHYLAMMONIUM TETRAFLUOROBORATE,000661-36-9,12621,tetramethylazanium tetrafluoroborate,[B-](F)(F)(F)F.C[N+](C)(C)C,"InChI=1S/C4H12N.BF4/c1-5(2,3)4;2-1(3,4)5/h1-4H3;/q+1;-1",XWFABLFRYCHILB-UHFFFAOYSA-N,C4H12BF4N,160.95,161.0998922,,0,38,0,0,5,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIAMINOGUANIDINE MONOHYDROCHLORIDE",036062-19-8,9566041,"1,2-diaminoguanidine;hydrochloride",C(=N\N)(\N)/NN.Cl,"InChI=1S/CH7N5.ClH/c2-1(5-3)6-4;/h3-4H2,(H3,2,5,6);1H",HAZRIBSLCUYMQP-UHFFFAOYSA-N,CH8ClN5,125.56,125.046823,,102,55,0,5,3,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-METHYL-1,3-BUTANEDIOL",002568-33-4,247470,"3-methylbutane-1,3-diol",CC(C)(CCO)O,"InChI=1S/C5H12O2/c1-5(2,7)3-4-6/h6-7H,3-4H2,1-2H3",XPFCZYUVICHKDS-UHFFFAOYSA-N,C5H12O2,104.15,104.0837296,-0.2,40.5,50,0,2,2,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ZINC BIS(TRIFLUOROMETHYLSULFONYL)IMIDE,168106-25-0,25178006,zinc bis(bis(trifluoromethylsulfonyl)azanide),C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Zn+2],"InChI=1S/2C2F6NO4S2.Zn/c2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q2*-1;+2",QEORIOGPVTWFMH-UHFFFAOYSA-N,C4F12N2O8S4Zn,625.7,623.763729,,172,374,0,0,22,4,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TERBIUM(III) TRIFLUOROMETHANESULFONATE,148980-31-8,11786785,terbium(3+);tris(trifluoromethanesulfonate),C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Tb+3],"InChI=1S/3CHF3O3S.Tb/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3",JLYAVYSVLLIWEK-UHFFFAOYSA-K,C3F9O9S3Tb,606.1,605.78143,,197,145,0,0,18,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(2S)-2-AMINO-4-(S-METHYLSUFONIMIDOYL)BUTANOIC ACID,015985-39-4,89034,(2S)-2-amino-4-(methylsulfonimidoyl)butanoic acid,CS(=N)(=O)CC[C@@H](C(=O)O)N,"InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11?/m0/s1",SXTAYKAGBXMACB-DPVSGNNYSA-N,C5H12N2O3S,180.23,180.0568634,-1.8,113,244,0,3,5,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM TRICHLORO(ETHYLENE)PLATINATE(II) HYDRATE,123334-22-5,71311337,potassium;ethene;trichloroplatinum(1-);hydrate,C=C.O.Cl[Pt-](Cl)Cl.[K+],InChI=1S/C2H4.3ClH.K.H2O.Pt/c1-2;;;;;;/h1-2H2;3*1H;;1H2;/q;;;;+1;;+2/p-3,DCEGWIMEFFONKJ-UHFFFAOYSA-K,C2H6Cl3KOPt,386.6,384.876924,,1,8,0,1,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(METHOXYCARBONYLSULFAMOYL)TRIETHYLAMMONIUM HYDROXIDE INNER SALT,029684-56-8,9566069,(1E)-1-methoxy-N-(triethylazaniumyl)sulfonylmethanimidate,CC[N+](CC)(CC)S(=O)(=O)/N=C(\[O-])/OC,"InChI=1S/C8H18N2O4S/c1-5-10(6-2,7-3)15(12,13)9-8(11)14-4/h5-7H2,1-4H3",YSHOWEKUVWPFNR-UHFFFAOYSA-N,C8H18N2O4S,238.31,238.0987282,2,87.2,306,0,0,5,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DI-BOC-2-(TRIFLUOROMETHYLSULFONYL)GUANIDINE",207857-15-6,3694570,tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate,CC(C)(C)OC(=O)NC(=NS(=O)(=O)C(F)(F)F)NC(=O)OC(C)(C)C,"InChI=1S/C12H20F3N3O6S/c1-10(2,3)23-8(19)16-7(17-9(20)24-11(4,5)6)18-25(21,22)12(13,14)15/h1-6H3,(H2,16,17,18,19,20)",GOQZIPJCBUYLIR-UHFFFAOYSA-N,C12H20F3N3O6S,391.37,391.102491,3.9,132,607,0,2,10,7,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM 3-SULPHONATOPROPYL ACRYLATE,031098-20-1,23663682,potassium 3-prop-2-enoyloxypropane-1-sulfonate,C=CC(=O)OCCCS(=O)(=O)[O-].[K+],"InChI=1S/C6H10O5S.K/c1-2-6(7)11-4-3-5-12(8,9)10;/h2H,1,3-5H2,(H,8,9,10);/q;+1/p-1",VSFOXJWBPGONDR-UHFFFAOYSA-M,C6H9KO5S,232.3,231.980776,,91.9,253,0,0,5,6,13,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"CHOLINE-D13 BROMIDE-(N,N,N-TRIMETHYL-DG,1,1,2,2-D4)",203645-64-1,71309220,"(1,1,2,2-tetradeuterio-2-hydroxyethyl)-tris(trideuteriomethyl)azanium bromide",[2H]C([2H])([2H])[N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])O.[Br-],"InChI=1S/C5H14NO.BrH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1/i1D3,2D3,3D3,4D2,5D2;",JJCWKVUUIFLXNZ-TYBPHYHNSA-M,C5H14BrNO,197.15,196.10747,,20.2,46,0,1,2,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAKIS(MU-ACETATO)DIRHODIUM,015956-28-2,152122,bis(rhodium(2+));tetraacetate,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Rh+2].[Rh+2],"InChI=1S/4C2H4O2.2Rh/c4*1-2(3)4;;/h4*1H3,(H,3,4);;/q;;;;2*+2/p-4",SYBXSZMNKDOUCA-UHFFFAOYSA-J,C8H12O8Rh2,441.99,441.86421,,161,25,0,0,8,0,18,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"N-(2-HYDROXY-1,1-BIS(HYDROXYMETHYL)ETHYL)ACRYLAMIDE",013880-05-2,83788,"N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]prop-2-enamide",C=CC(=O)NC(CO)(CO)CO,"InChI=1S/C7H13NO4/c1-2-6(12)8-7(3-9,4-10)5-11/h2,9-11H,1,3-5H2,(H,8,12)",MVBJSQCJPSRKSW-UHFFFAOYSA-N,C7H13NO4,175.18,175.0844579,-2,89.8,157,0,4,4,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
11-PHOSPHONOUNDECYL ACRYLATE,915376-49-7,59172001,11-prop-2-enoyloxyundecylphosphonic acid,C=CC(=O)OCCCCCCCCCCCP(=O)(O)O,"InChI=1S/C14H27O5P/c1-2-14(15)19-12-10-8-6-4-3-5-7-9-11-13-20(16,17)18/h2H,1,3-13H2,(H2,16,17,18)",RLAKYYIYWIWCED-UHFFFAOYSA-N,C14H27O5P,306.33,306.159611,3,83.8,311,0,2,5,14,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ZINC TRIFLUOROACETATE HYDRATE,207801-31-8,57375648,"zinc;bis(2,2,2-trifluoroacetate);hydrate",C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].O.[Zn+2],"InChI=1S/2C2HF3O2.H2O.Zn/c2*3-2(4,5)1(6)7;;/h2*(H,6,7);1H2;/q;;;+2/p-2",VUNLDTPRUICHRY-UHFFFAOYSA-L,C4H2F6O5Zn,309.4,307.909784,,81.3,77,0,1,11,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-DIELAIDOYL-SN-GLYCERO-3-PHOSPHOCHOLINE",056782-46-8,5313462,"2-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium",CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C/CCCCCCCC,"InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20+,23-21+",SNKAWJBJQDLSFF-DQPVQCHKSA-O,C44H85NO8P+,787.1,786.6012807,13.8,108,980,1,1,8,42,54,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-ICOSAFLUOROUNDECYL METHACRYLATE",041123-44-8,3084815,"1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11-icosafluoroundecyl 2-methylprop-2-enoate",CC(=C)C(=O)OC(C(C(C(C(C(C(C(C(C(CF)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F,"InChI=1S/C15H8F20O2/c1-4(2)5(36)37-6(17)8(20,21)10(24,25)12(28,29)14(32,33)15(34,35)13(30,31)11(26,27)9(22,23)7(18,19)3-16/h6H,1,3H2,2H3",KDUYSMPJTYKVBA-UHFFFAOYSA-N,C15H8F20O2,600.19,600.0204927,8,26.3,875,0,0,22,13,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(±)-3-HYDROXYOCTANOIC ACID,088930-08-9,26613,3-hydroxyoctanoic acid,CCCCCC(CC(=O)O)O,"InChI=1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)",NDPLAKGOSZHTPH-UHFFFAOYSA-N,C8H16O3,160.21,160.1099444,1.4,57.5,112,0,2,3,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IODO(TRIETHYL PHOSPHITE)COPPER(I),051717-23-8,11783241,iodocopper;triethyl phosphite,CCOP(OCC)OCC.[Cu]I,"InChI=1S/C6H15O3P.Cu.HI/c1-4-7-10(8-5-2)9-6-3;;/h4-6H2,1-3H3;;1H/q;+1;/p-1",IVPQRWLSGJFSTC-UHFFFAOYSA-M,C6H15CuIO3P,356.61,355.90995,,27.7,57,0,0,3,6,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NEODYMIUM GALLIUM OXIDE,012207-22-6,102602116,,[OH-].[OH-].[OH-].[Ga].[Nd],InChI=1S/Ga.Nd.3H2O/h;;3*1H2/p-3,FLDBLBKUYMECBD-UHFFFAOYSA-K,GaH3NdO3-3,264.99,261.84152,,3,3,-3,3,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-BOC-DIETHANOLAMINE,103898-11-9,4360601,"tert-butyl N,N-bis(2-hydroxyethyl)carbamate",CC(C)(C)OC(=O)N(CCO)CCO,"InChI=1S/C9H19NO4/c1-9(2,3)14-8(13)10(4-6-11)5-7-12/h11-12H,4-7H2,1-3H3",KMUNFRBJXIEULW-UHFFFAOYSA-N,C9H19NO4,205.25,205.1314081,-0.3,70,170,0,2,4,6,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LANTHANUM NICKELATE,012031-41-3,92027086,hydroxy(oxo)lanthanum;nickel,O[La]=O.O[La]=O.[Ni],InChI=1S/2La.Ni.2H2O.2O/h;;;2*1H2;;/q2*+1;;;;;/p-2,CSEMWUKGXSVIGC-UHFFFAOYSA-L,H2La2NiO4,402.518,401.74338,,74.6,10,0,2,4,0,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"4-ETHYL-2-OCTANOL, ERYTHRO + THREO",019780-78-0,542469,4-ethyloctan-2-ol,CCCCC(CC)CC(C)O,"InChI=1S/C10H22O/c1-4-6-7-10(5-2)8-9(3)11/h9-11H,4-8H2,1-3H3",GVKBTEISGUWZEJ-UHFFFAOYSA-N,C10H22O,158.28,158.1670653,3.8,20.2,80,0,1,1,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-HEPTADECAFLUOROUNDECANOIC ACID",034598-33-9,2782413,"4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoic acid",C(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O,"InChI=1S/C11H5F17O2/c12-4(13,2-1-3(29)30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2H2,(H,29,30)",JZRCRCFPVAXHHQ-UHFFFAOYSA-N,C11H5F17O2,492.13,492.0018082,5.9,37.3,647,0,1,19,9,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DECANOIC-D19 ACID,088170-22-3,16213405,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecadeuteriodecanoic acid",[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O,"InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2",GHVNFZFCNZKVNT-KIJKOTCYSA-N,C10H20O2,191.38,191.265588,4.1,37.3,110,0,1,2,8,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BROMOPROPANESULFONIC ACID SODIUM SALT,055788-44-8,23679056,sodium 3-bromopropane-1-sulfonate,C(CS(=O)(=O)[O-])CBr.[Na+],"InChI=1S/C3H7BrO3S.Na/c4-2-1-3-8(5,6)7;/h1-3H2,(H,5,6,7);/q;+1/p-1",LNZDAVYFINUYOH-UHFFFAOYSA-M,C3H6BrNaO3S,225.04,223.91187,,65.6,138,0,0,3,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GLYCINE METHYL ESTER HYDROCHLORIDE,005680-79-5,122755,methyl 2-aminoacetate;hydrochloride,COC(=O)CN.Cl,"InChI=1S/C3H7NO2.ClH/c1-6-3(5)2-4;/h2,4H2,1H3;1H",COQRGFWWJBEXRC-UHFFFAOYSA-N,C3H8ClNO2,125.55,125.0243562,,52.3,52,0,2,3,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
YTTRIUM(III) TRIFLUOROMETHANESULFONATE,052093-30-8,2733939,tris(trifluoromethanesulfonate);yttrium(3+),C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Y+3],"InChI=1S/3CHF3O3S.Y/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3",JPJIEXKLJOWQQK-UHFFFAOYSA-K,C3F9O9S3Y,536.1,535.761912,,197,145,0,0,18,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHYL DIALLYLMALONATE,003195-24-2,76664,"diethyl 2,2-bis(prop-2-enyl)propanedioate",CCOC(=O)C(CC=C)(CC=C)C(=O)OCC,"InChI=1S/C13H20O4/c1-5-9-13(10-6-2,11(14)16-7-3)12(15)17-8-4/h5-6H,1-2,7-10H2,3-4H3",LYUUVYQGUMRKOV-UHFFFAOYSA-N,C13H20O4,240.29,240.1361591,2.9,52.6,264,0,0,4,10,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
YTTERBIUM(III) BROMIDE HYDRATE,015163-03-8,16217072,tribromoytterbium;hydrate,O.Br[Yb](Br)Br,InChI=1S/3BrH.H2O.Yb/h3*1H;1H2;/q;;;;+3/p-3,MXYLXTAFQDIBHN-UHFFFAOYSA-K,Br3H2OYb,430.77,430.7024,,1,8,0,1,1,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXY-3-METHYLVALERIC ACID,000488-15-3,164623,2-hydroxy-3-methylpentanoic acid,CCC(C)C(C(=O)O)O,"InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)",RILPIWOPNGRASR-UHFFFAOYSA-N,C6H12O3,132.16,132.0786442,0.9,57.5,100,0,2,3,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM HEXAFLUOROACETYLACETONATE,022466-49-5,6028425,"sodium (Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate",C(=C(/C(F)(F)F)\[O-])\C(=O)C(F)(F)F.[Na+],"InChI=1S/C5H2F6O2.Na/c6-4(7,8)2(12)1-3(13)5(9,10)11;/h1,12H;/q;+1/p-1/b2-1-;",AWUDPEKDPFGDOP-ODZAUARKSA-M,C5HF6NaO2,230.04,229.9778425,,40.1,240,0,0,8,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-METHYL-2-PROPENOIC ACID, PENTYL ESTER",002849-98-1,76101,pentyl 2-methylprop-2-enoate,CCCCCOC(=O)C(=C)C,"InChI=1S/C9H16O2/c1-4-5-6-7-11-9(10)8(2)3/h2,4-7H2,1,3H3",GYDSPAVLTMAXHT-UHFFFAOYSA-N,C9H16O2,156.22,156.1150297,3.4,26.3,138,0,0,2,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DI-TERT-BUTYL IMINODIACETATE,085916-13-8,4393691,tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate,CC(C)(C)OC(=O)CNCC(=O)OC(C)(C)C,"InChI=1S/C12H23NO4/c1-11(2,3)16-9(14)7-13-8-10(15)17-12(4,5)6/h13H,7-8H2,1-6H3",SMXMBXPLRFTROI-UHFFFAOYSA-N,C12H23NO4,245.32,245.1627082,1.6,64.6,245,0,1,5,8,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-ETHYL-2-HYDROXYBUTYRIC ACID,003639-21-2,77199,2-ethyl-2-hydroxybutanoic acid,CCC(CC)(C(=O)O)O,"InChI=1S/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8)",LXVSANCQXSSLPA-UHFFFAOYSA-N,C6H12O3,132.16,132.0786442,0.8,57.5,105,0,2,3,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-((((2-CARBOXYETHYL)THIO)CARBONOTHIOYL)
THIO)-4-CYANOPENTANOIC ACID",2055041-03-5,124203154,4-(2-carboxyethylsulfanylcarbothioylsulfanyl)-4-cyanopentanoic acid,CC(CCC(=O)O)(C#N)SC(=S)SCCC(=O)O,"InChI=1S/C10H13NO4S3/c1-10(6-11,4-2-7(12)13)18-9(16)17-5-3-8(14)15/h2-5H2,1H3,(H,12,13)(H,14,15)",CTLAWKZAJCYIFX-UHFFFAOYSA-N,C10H13NO4S3,307.4,307.0006714,1.6,181,390,0,2,8,9,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXYOCTANOIC ACID,000617-73-2,94180,2-hydroxyoctanoic acid,CCCCCCC(C(=O)O)O,"InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)",JKRDADVRIYVCCY-UHFFFAOYSA-N,C8H16O3,160.21,160.1099444,2,57.5,112,0,2,3,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
YTTRIUM ZIRCONIUM OXIDE,064417-98-7,6454885,heptakis(oxygen(2-));bis(yttrium(3+));bis(zirconium(4+)),[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Y+3].[Y+3].[Zr+4].[Zr+4],InChI=1S/7O.2Y.2Zr/q7*-2;2*+3;2*+4,JXSUUUWRUITOQZ-UHFFFAOYSA-N,O7Y2Zr2,472.25,469.585476,,7,0,0,0,7,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TETRAETHYLAMMONIUM TRIFLUOROMETHANESULFATE,035895-69-3,2776566,tetraethylazanium;trifluoromethanesulfonate,CC[N+](CC)(CC)CC.C(F)(F)(F)S(=O)(=O)[O-],"InChI=1S/C8H20N.CHF3O3S/c1-5-9(6-2,7-3)8-4;2-1(3,4)8(5,6)7/h5-8H2,1-4H3;(H,5,6,7)/q+1;/p-1",PUZYNDBTWXJXKN-UHFFFAOYSA-M,C9H20F3NO3S,279.32,279.1115992,,65.6,192,0,0,6,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
<I>CIS</>-DICHLOROBIS(TRIETHYLPHOSPHINE)PLATINUM(II),015692-07-6,11027520,dichloroplatinum;bis(triethylphosphane),CCP(CC)CC.CCP(CC)CC.Cl[Pt]Cl,"InChI=1S/2C6H15P.2ClH.Pt/c2*1-4-7(5-2)6-3;;;/h2*4-6H2,1-3H3;2*1H;/q;;;;+2/p-2",WPWLTKRUFHHDLP-UHFFFAOYSA-L,C12H30Cl2P2Pt,502.3,501.084775,,0,28,0,0,0,6,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FLUORINATED TETRAETHYLENE GLYCOL,330562-44-2,2778166,"2-[2-[2-(1,1-difluoro-2-hydroxyethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanol",C(C(OC(C(OC(C(OC(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C8H6F12O5/c9-3(10,1-21)23-5(13,14)7(17,18)25-8(19,20)6(15,16)24-4(11,12)2-22/h21-22H,1-2H2",BFMDZOWJRVLYPB-UHFFFAOYSA-N,C8H6F12O5,410.11,410.0023612,3,68.2,413,0,2,17,10,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N'-1,2-ETHANEDIYLBIS-2-PROPENAMIDE",002956-58-3,168964,N-[2-(prop-2-enoylamino)ethyl]prop-2-enamide,C=CC(=O)NCCNC(=O)C=C,"InChI=1S/C8H12N2O2/c1-3-7(11)9-5-6-10-8(12)4-2/h3-4H,1-2,5-6H2,(H,9,11)(H,10,12)",AYGYHGXUJBFUJU-UHFFFAOYSA-N,C8H12N2O2,168.19,168.0898776,0,58.2,177,0,2,2,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
THULIUM(II) IODIDE,060864-26-8,5231385,diiodothulium,I[Tm]I,InChI=1S/2HI.Tm/h2*1H;/q;;+2/p-2,XGGRJQVPUOEAEU-UHFFFAOYSA-L,I2Tm,422.7432,422.74316,,0,2,0,0,0,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-AMINOPENTANAMIDE HYDROCHLORIDE,097965-80-5,13292336,5-aminopentanamide;hydrochloride,C(CCN)CC(=O)N.Cl,"InChI=1S/C5H12N2O.ClH/c6-4-2-1-3-5(7)8;/h1-4,6H2,(H2,7,8);1H",AGVRUUAXBANYLT-UHFFFAOYSA-N,C5H13ClN2O,152.62,152.0716407,,69.1,72,0,3,2,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEPTADECAN-9-ONE,000540-08-9,10887,heptadecan-9-one,CCCCCCCCC(=O)CCCCCCCC,"InChI=1S/C17H34O/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3",WTJKUFMLQFLJOT-UHFFFAOYSA-N,C17H34O,254.5,254.2609657,7,17.1,156,0,0,1,14,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-BUTYLAMMONIUM BROMIDE,015567-09-6,12199058,butan-1-amine;hydrobromide,CCCCN.Br,"InChI=1S/C4H11N.BrH/c1-2-3-4-5;/h2-5H2,1H3;1H",SXGBREZGMJVYRL-UHFFFAOYSA-N,C4H12BrN,154.05,153.01531,,26,13,0,2,1,2,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-[2-(2-AZIDOETHOXY)ETHOXY]ETHANOL,086520-52-7,11008438,2-[2-(2-azidoethoxy)ethoxy]ethanol,C(COCCOCCO)N=[N+]=[N-],"InChI=1S/C6H13N3O3/c7-9-8-1-3-11-5-6-12-4-2-10/h10H,1-6H2",PMNIHDBMMDOUPD-UHFFFAOYSA-N,C6H13N3O3,175.19,175.0956913,0.2,53.1,136,0,1,5,8,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEPTADECANEDIOIC ACID,002424-90-0,3083765,heptadecanedioic acid,C(CCCCCCCC(=O)O)CCCCCCCC(=O)O,"InChI=1S/C17H32O4/c18-16(19)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(20)21/h1-15H2,(H,18,19)(H,20,21)",QCNWZROVPSVEJA-UHFFFAOYSA-N,C17H32O4,300.4,300.2300595,5.9,74.6,238,0,2,4,16,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRABUTYLAMMONIUM TETRTETRAKIS(TRIFLUOROMETHYL) CUPRATE (III),152376-94-8,124220112,copper;tetrabutylazanium;tetrakis(trifluoromethane),CCCC[N+](CCCC)(CCCC)CCCC.[C-](F)(F)F.[C-](F)(F)F.[C-](F)(F)F.[C-](F)(F)F.[Cu],"InChI=1S/C16H36N.4CF3.Cu/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;4*2-1(3)4;/h5-16H2,1-4H3;;;;;/q+1;4*-1;",ONKMOBXWIMXGQS-UHFFFAOYSA-N,C20H36CuF12N-3,582,581.19521,,0,178,-3,0,16,12,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
NICKEL(II) TRIFLUOROMETHANESULFONATE,060871-84-3,9820095,nickel(2+);bis(trifluoromethanesulfonate),C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ni+2],"InChI=1S/2CHF3O3S.Ni/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2",KVRSDIJOUNNFMZ-UHFFFAOYSA-L,C2F6NiO6S2,356.84,355.839391,,131,145,0,0,12,0,17,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,1,0,1
TRIETHYL PHOSPHONOACETATE-13C2,100940-60-1,10911236,ethyl 2-diethoxyphosphorylacetate,CCO[13C](=O)[13CH2]P(=O)(OCC)OCC,"InChI=1S/C8H17O5P/c1-4-11-8(9)7-14(10,12-5-2)13-6-3/h4-7H2,1-3H3/i7+1,8+1",GGUBFICZYGKNTD-BFGUONQLSA-N,C8H17O5P,226.18,226.0880703,0.5,61.8,206,0,0,5,8,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-HEXADECANE-D34,015716-08-2,12302799,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-tetratriacontadeuteriohexadecane",[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H],"InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2",DCAYPVUWAIABOU-BMDGSOBCSA-N,C16H34,260.65,260.4794604,8.3,0,92,0,0,0,13,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ASB-14,216667-08-2,4046965,3-[dimethyl-[3-(tetradecanoylamino)propyl]azaniumyl]propane-1-sulfonate,CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-],"InChI=1S/C22H46N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-17-22(25)23-18-15-19-24(2,3)20-16-21-29(26,27)28/h4-21H2,1-3H3,(H-,23,25,26,27,28)",UTSXERRKRAEDOV-UHFFFAOYSA-N,C22H46N2O4S,434.7,434.3178291,5.4,94.7,488,0,1,4,19,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-BOC-IMINODIACETIC ACID,056074-20-5,2755971,2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid,CC(C)(C)OC(=O)N(CC(=O)O)CC(=O)O,"InChI=1S/C9H15NO6/c1-9(2,3)16-8(15)10(4-6(11)12)5-7(13)14/h4-5H2,1-3H3,(H,11,12)(H,13,14)",QPGIJQUTGABQLQ-UHFFFAOYSA-N,C9H15NO6,233.22,233.0899372,0.3,104,277,0,2,6,6,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-OXO-2-PENTENOIC ACID,004743-82-2,5363652,(E)-4-oxopent-2-enoic acid,CC(=O)/C=C/C(=O)O,"InChI=1S/C5H6O3/c1-4(6)2-3-5(7)8/h2-3H,1H3,(H,7,8)/b3-2+",XGTKSWVCNVUVHG-NSCUHMNNSA-N,C5H6O3,114.1,114.031694,-0.3,54.4,135,0,1,3,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N,N',N'-TETRABUTYLMALONAMIDE",014287-98-0,3494509,"N,N,N',N'-tetrabutylpropanediamide",CCCCN(CCCC)C(=O)CC(=O)N(CCCC)CCCC,"InChI=1S/C19H38N2O2/c1-5-9-13-20(14-10-6-2)18(22)17-19(23)21(15-11-7-3)16-12-8-4/h5-17H2,1-4H3",QTVRIQFMPJRJAK-UHFFFAOYSA-N,C19H38N2O2,326.5,326.2933285,4.4,40.6,272,0,0,2,14,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"N,N,N',N'-TETRAPENTYLMALONAMIDE",1560797-76-3,44630524,"N,N,N',N'-tetrapentylpropanediamide",CCCCCN(CCCCC)C(=O)CC(=O)N(CCCCC)CCCCC,"InChI=1S/C23H46N2O2/c1-5-9-13-17-24(18-14-10-6-2)22(26)21-23(27)25(19-15-11-7-3)20-16-12-8-4/h5-21H2,1-4H3",SLCSFXNOZDNIFH-UHFFFAOYSA-N,C23H46N2O2,382.6,382.3559287,6.5,40.6,317,0,0,2,18,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"(3-CARBOXYPROPYL)TRIMETHYLAMMONIUM
CHLORIDE",006249-56-5,22620,3-carboxypropyl(trimethyl)azanium chloride,C[N+](C)(C)CCCC(=O)O.[Cl-],"InChI=1S/C7H15NO2.ClH/c1-8(2,3)6-4-5-7(9)10;/h4-6H2,1-3H3;1H",GNRKTORAJTTYIW-UHFFFAOYSA-N,C7H16ClNO2,181.66,181.0869564,,37.3,115,0,1,3,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-HYDROXYHEXANAL,034067-76-0,190319,6-hydroxyhexanal,C(CCC=O)CCO,"InChI=1S/C6H12O2/c7-5-3-1-2-4-6-8/h5,8H,1-4,6H2",FPFTWHJPEMPAGE-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,0,37.3,52,0,1,2,5,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NEODYMIUM(III) TRIFLUOROMETHANESULFONATE,034622-08-7,2733937,neodymium(3+);tris(trifluoromethanesulfonate),C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Nd+3],"InChI=1S/3CHF3O3S.Nd/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3",WYRSPTDNOIZOGA-UHFFFAOYSA-K,C3F9NdO9S3,591.5,588.7638,,197,145,0,0,18,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N,N',N'-TETRAMETHYLMALONAMIDE",007313-22-6,10975767,"N,N,N',N'-tetramethylpropanediamide",CN(C)C(=O)CC(=O)N(C)C,"InChI=1S/C7H14N2O2/c1-8(2)6(10)5-7(11)9(3)4/h5H2,1-4H3",AOXCXILUIVQCHH-UHFFFAOYSA-N,C7H14N2O2,158.2,158.1055277,-0.6,40.6,146,0,0,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-((DIMETHYLSILYL)OXY)-1,1,3,5,5-PENTAMETHYLTRISILOXANE",017082-46-1,11032875,,C[Si](C)O[Si](C)(O[Si](C)C)O[Si](C)C,"InChI=1S/C7H21O3Si4/c1-11(2)8-14(7,9-12(3)4)10-13(5)6/h1-7H3",BGISVIDNIBCUTN-UHFFFAOYSA-N,C7H21O3Si4,265.58,265.0567757,,27.7,136,0,0,3,6,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NEODYMIUM(III) BROMIDE HYDRATE,029843-90-1,57376867,neodymium(3+);tribromide;hydrate,O.[Br-].[Br-].[Br-].[Nd+3],InChI=1S/3BrH.Nd.H2O/h3*1H;;1H2/q;;;+3;/p-3,SFCFUTJPVPUQMY-UHFFFAOYSA-K,Br3H2NdO,401.97,398.67126,,1,0,0,1,4,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHYLENE GLYCOL-BIS(B-AMINOETHYL ETHER)- N,N,N',N'-TETRAACETIC ACID TETRASODIUM SALT",013368-13-3,16219327,tetrasodium;2-[2-[2-[2-[bis(carboxylatomethyl)amino]ethoxy]ethoxy]ethyl-(carboxylatomethyl)amino]acetate,C(COCCOCCN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C14H24N2O10.4Na/c17-11(18)7-15(8-12(19)20)1-3-25-5-6-26-4-2-16(9-13(21)22)10-14(23)24;;;;/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);;;;/q;4*+1/p-4",BAOGCDPNNOBWQZ-UHFFFAOYSA-J,C14H20N2Na4O10,468.27,468.070872,,185,375,0,0,12,13,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(TERT-BUTOXYCARBONYL)-L-TERT-LEUCINE,062965-35-9,2734668,"(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid",CC(C)(C)[C@@H](C(=O)O)NC(=O)OC(C)(C)C,"InChI=1S/C11H21NO4/c1-10(2,3)7(8(13)14)12-9(15)16-11(4,5)6/h7H,1-6H3,(H,12,15)(H,13,14)/t7-/m1/s1",LRFZIPCTFBPFLX-SSDOTTSWSA-N,C11H21NO4,231.29,231.1470582,2.3,75.6,273,0,2,4,5,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2,3,3,4,4,5,5,6,6,7,7-DODECAFLUORO-1,8-OCTANEDIOL",090177-96-1,3820533,"2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctane-1,8-diol",C(C(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C8H6F12O2/c9-3(10,1-21)5(13,14)7(17,18)8(19,20)6(15,16)4(11,12)2-22/h21-22H,1-2H2",XZJPYETUABEQFI-UHFFFAOYSA-N,C8H6F12O2,362.11,362.0176174,2.8,40.5,366,0,2,14,7,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H,1H,12H,12H-PERFLUORO-1,12-DODECANEDIOL",183162-43-8,2776100,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluorododecane-1,12-diol",C(C(C(C(C(C(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C12H6F20O2/c13-3(14,1-33)5(17,18)7(21,22)9(25,26)11(29,30)12(31,32)10(27,28)8(23,24)6(19,20)4(15,16)2-34/h33-34H,1-2H2",MBKZIVRAOJBYDI-UHFFFAOYSA-N,C12H6F20O2,562.14,562.0048427,5.6,40.5,678,0,2,22,11,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DECANE-1,9-DIOL",003208-05-7,10910076,"decane-1,9-diol",CC(CCCCCCCCO)O,"InChI=1S/C10H22O2/c1-10(12)8-6-4-2-3-5-7-9-11/h10-12H,2-9H2,1H3",BRBMYNGGGPTKKL-UHFFFAOYSA-N,C10H22O2,174.28,174.1619799,2.4,40.5,83,0,2,2,8,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PRASEODYMIUM(III) TRIFLUOROMETHANESULFONATE,052093-27-3,9894708,praseodymium(3+);tris(trifluoromethanesulfonate),C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Pr+3],"InChI=1S/3CHF3O3S.Pr/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3",ROUBZIWQWFQCHU-UHFFFAOYSA-K,C3F9O9PrS3,588.1,587.76373,,197,145,0,0,18,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAETHYLAMMONIUM HEXAFLUOROPHOSPHATE,000429-07-2,9885,tetraethylazanium hexafluorophosphate,CC[N+](CC)(CC)CC.F[P-](F)(F)(F)(F)F,"InChI=1S/C8H20N.F6P/c1-5-9(6-2,7-3)8-4;1-7(2,3,4,5)6/h5-8H2,1-4H3;/q+1;-1",KLKUOIXSIDDDCN-UHFFFAOYSA-N,C8H20F6NP,275.22,275.1237556,,0,110,0,0,7,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-AMINOCAPROIC ACID DIMER,002014-58-6,895,6-(6-aminohexanoylamino)hexanoic acid,C(CCC(=O)NCCCCCC(=O)O)CCN,"InChI=1S/C12H24N2O3/c13-9-5-1-3-7-11(15)14-10-6-2-4-8-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)",IWENLYKHSZCPRD-UHFFFAOYSA-N,C12H24N2O3,244.33,244.1786926,-2.1,92.4,220,0,3,4,11,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
8-AMINOOCTANOIC ACID,001002-57-9,66085,8-aminooctanoic acid,C(CCCC(=O)O)CCCN,"InChI=1S/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11)",UQXNEWQGGVUVQA-UHFFFAOYSA-N,C8H17NO2,159.23,159.1259288,-2.6,63.3,104,0,2,3,7,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(R)-2,3-DIAMINOPROPANOIC ACID MONOHYDROCHLORIDE",006018-56-0,16218517,"(2R)-2,3-diaminopropanoic acid;hydrochloride",C([C@H](C(=O)O)N)N.Cl,"InChI=1S/C3H8N2O2.ClH/c4-1-2(5)3(6)7;/h2H,1,4-5H2,(H,6,7);1H/t2-;/m1./s1",SKWCZPYWFRTSDD-HSHFZTNMSA-N,C3H9ClN2O2,140.57,140.0352552,,89.3,73,0,4,4,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-DITHIODIBUTYRIC ACID",002906-60-7,76196,4-(3-carboxypropyldisulfanyl)butanoic acid,C(CC(=O)O)CSSCCCC(=O)O,"InChI=1S/C8H14O4S2/c9-7(10)3-1-5-13-14-6-2-4-8(11)12/h1-6H2,(H,9,10)(H,11,12)",YYSCJLLOWOUSHH-UHFFFAOYSA-N,C8H14O4S2,238.3,238.0333513,0.6,125,164,0,2,6,9,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIMETHYLCARBAMIC ACID COMPD. WITH N-METHYLMETHANAMINE (1:1),004137-10-4,165187,dimethylcarbamic acid;N-methylmethanamine,CNC.CN(C)C(=O)O,"InChI=1S/C3H7NO2.C2H7N/c1-4(2)3(5)6;1-3-2/h1-2H3,(H,5,6);3H,1-2H3",JIYXHCMRGZVYMA-UHFFFAOYSA-N,C5H14N2O2,134.18,134.1055277,,52.6,62,0,2,3,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N1-ACETYLSPERMINE TRIHYDROCHLORIDE,077928-70-2,16211018,N-[3-[4-(3-aminopropylamino)butylamino]propyl]acetamide;trihydrochloride,CC(=O)NCCCNCCCCNCCCN.Cl.Cl.Cl,"InChI=1S/C12H28N4O.3ClH/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13;;;/h14-15H,2-11,13H2,1H3,(H,16,17);3*1H",QQSPUTBJDXPUCR-UHFFFAOYSA-N,C12H31Cl3N4O,353.8,352.156345,,79.2,176,0,7,4,12,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HOLMIUM(III) TRIFLUOROMETHANESULFONATE,139177-63-2,16212763,holmium;trifluoromethanesulfonic acid,C(F)(F)(F)S(=O)(=O)O.[Ho],"InChI=1S/CHF3O3S.Ho/c2-1(3,4)8(5,6)7;/h(H,5,6,7);",BGVUVBIFPBJZEI-UHFFFAOYSA-N,CHF3HoO3S,315.01,314.890179,,62.8,158,0,1,6,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LUTETIUM(III) TRIFLUOROMETHANESULFONATE,126857-69-0,11227396,lutetium(3+);tris(trifluoromethanesulfonate),C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Lu+3],"InChI=1S/3CHF3O3S.Lu/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3",NRMNRSCGHRWJAK-UHFFFAOYSA-K,C3F9LuO9S3,622.2,621.79685,,197,145,0,0,18,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-(6-(6-AMINOHEXANAMIDO)HEXANAMIDO)HEXANOIC ACID,005776-78-3,9543385,6-[6-(6-aminohexanoylamino)hexanoylamino]hexanoic acid,C(CCC(=O)NCCCCCC(=O)NCCCCCC(=O)O)CCN,"InChI=1S/C18H35N3O4/c19-13-7-1-4-10-16(22)20-14-8-2-5-11-17(23)21-15-9-3-6-12-18(24)25/h1-15,19H2,(H,20,22)(H,21,23)(H,24,25)",JOIUZBTWMAYEQW-UHFFFAOYSA-N,C18H35N3O4,357.5,357.2627566,-1.8,122,375,0,4,5,17,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-AMINO-3-HYDROXYPENTANOIC ACID HYDROCHLORIDE,069619-19-8,132585324,5-amino-3-hydroxypentanoic acid;hydrochloride,C(CN)C(CC(=O)O)O.Cl,"InChI=1S/C5H11NO3.ClH/c6-2-1-4(7)3-5(8)9;/h4,7H,1-3,6H2,(H,8,9);1H",PAGAVBSDHJVQNC-UHFFFAOYSA-N,C5H12ClNO3,169.61,169.0505709,,83.6,94,0,4,4,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
9-AMINONONANOIC ACID,001120-12-3,136877,9-aminononanoic acid,C(CCCCN)CCCC(=O)O,"InChI=1S/C9H19NO2/c10-8-6-4-2-1-3-5-7-9(11)12/h1-8,10H2,(H,11,12)",VWPQCOZMXULHDM-UHFFFAOYSA-N,C9H19NO2,173.25,173.1415788,-2.1,63.3,115,0,2,3,8,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"CIS-1,4-DIACETOXY-2-BUTENE",025260-60-0,643799,[(Z)-4-acetyloxybut-2-enyl] acetate,CC(=O)OC/C=C\COC(=O)C,"InChI=1S/C8H12O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-4H,5-6H2,1-2H3/b4-3-",VZUAUHWZIKOMFC-ARJAWSKDSA-N,C8H12O4,172.18,172.0735589,0.3,52.6,163,0,0,4,6,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N2-ACETYL-L-ASPARAGINE,004033-40-3,99715,(2S)-2-acetamido-4-amino-4-oxobutanoic acid,CC(=O)N[C@@H](CC(=O)N)C(=O)O,"InChI=1S/C6H10N2O4/c1-3(9)8-4(6(11)12)2-5(7)10/h4H,2H2,1H3,(H2,7,10)(H,8,9)(H,11,12)/t4-/m0/s1",HXFOXFJUNFFYMO-BYPYZUCNSA-N,C6H10N2O4,174.15,174.0640568,-1.8,109,214,0,3,4,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
5-CHLOROVALERIC ACID,001119-46-6,14244,5-chloropentanoic acid,C(CCCl)CC(=O)O,"InChI=1S/C5H9ClO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8)",YSXDKDWNIPOSMF-UHFFFAOYSA-N,C5H9ClO2,136.58,136.0291072,1.2,37.3,72,0,1,2,4,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-2-AMINOADIPIC ACID,001118-90-7,92136,(2S)-2-aminohexanedioic acid,C(C[C@@H](C(=O)O)N)CC(=O)O,"InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1",OYIFNHCXNCRBQI-BYPYZUCNSA-N,C6H11NO4,161.16,161.0688078,-3.1,101,157,0,3,5,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CARBOMETHOXYFORMAMIDINE HYDROCHLORIDE,060189-97-1,11171010,methyl 2-amino-2-iminoacetate;hydrochloride,COC(=O)C(=N)N.Cl,"InChI=1S/C3H6N2O2.ClH/c1-7-3(6)2(4)5;/h1H3,(H3,4,5);1H",YPQCCPFTUFSOSU-UHFFFAOYSA-N,C3H7ClN2O2,138.55,138.0196052,,76.2,99,0,3,3,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-[(TERT-BUTOXYCARBONYL)AMINO]BUTANOIC ACID,057294-38-9,294894,4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid,CC(C)(C)OC(=O)NCCCC(=O)O,"InChI=1S/C9H17NO4/c1-9(2,3)14-8(13)10-6-4-5-7(11)12/h4-6H2,1-3H3,(H,10,13)(H,11,12)",HIDJWBGOQFTDLU-UHFFFAOYSA-N,C9H17NO4,203.24,203.115758,0.8,75.6,207,0,2,4,6,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BOC-5-AVA-OH,027219-07-4,545848,5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid,CC(C)(C)OC(=O)NCCCCC(=O)O,"InChI=1S/C10H19NO4/c1-10(2,3)15-9(14)11-7-5-4-6-8(12)13/h4-7H2,1-3H3,(H,11,14)(H,12,13)",GFMRZAMDGJIWRB-UHFFFAOYSA-N,C10H19NO4,217.26,217.1314081,1.1,75.6,220,0,2,4,7,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COPPER ZINC IRON OXIDE,228402-49-1,92024400,copper;iron;zinc;tetrahydrate,O.O.O.O.[Fe].[Fe].[Cu].[Zn],InChI=1S/Cu.2Fe.4H2O.Zn/h;;;4*1H2;,GQMXTAZKLYTZOE-UHFFFAOYSA-N,CuFe2H8O4Zn,312.7,310.77087,,4,14,0,4,4,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
9-DECENOIC ACID,014436-32-9,61743,dec-9-enoic acid,C=CCCCCCCCC(=O)O,"InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2H,1,3-9H2,(H,11,12)",KHAVLLBUVKBTBG-UHFFFAOYSA-N,C10H18O2,170.25,170.1306798,3.3,37.3,130,0,1,2,8,12,,269.00 to 271.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1H,1H,8H,8H-OCTAFLUORO-3,6-DIOXAOCTANE-1,8-DIOL",129301-42-4,2778710,"2-[2-(1,1-difluoro-2-hydroxyethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanol",C(C(OC(C(OC(CO)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C6H6F8O4/c7-3(8,1-15)17-5(11,12)6(13,14)18-4(9,10)2-16/h15-16H,1-2H2",CWIAFBQLWOMNFY-UHFFFAOYSA-N,C6H6F8O4,294.1,294.013834,1.6,58.9,253,0,2,12,7,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TRIS(1,1,1,3,3,3-HEXAFLUORO-2-PROPYL) PHOSPHITE",066470-81-3,333376,"tris(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphite",C(C(F)(F)F)(C(F)(F)F)OP(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F,"InChI=1S/C9H3F18O3P/c10-4(11,12)1(5(13,14)15)28-31(29-2(6(16,17)18)7(19,20)21)30-3(8(22,23)24)9(25,26)27/h1-3H",MJOVEPJSFHDSOJ-UHFFFAOYSA-N,C9H3F18O3P,532.06,531.9532379,7,27.7,444,0,0,21,6,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(S)-(-)-4-AMINO-2-HYDROXYBUTYRIC ACID,040371-51-5,2733929,(2S)-4-amino-2-hydroxybutanoic acid,C(CN)[C@@H](C(=O)O)O,"InChI=1S/C4H9NO3/c5-2-1-3(6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1",IVUOMFWNDGNLBJ-VKHMYHEASA-N,C4H9NO3,119.12,119.0582431,-3.7,83.6,83,0,3,4,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-DIAMINO-2-BUTANONE DIHYDROCHLORIDE",003660-09-1,13205655,"1,4-diaminobutan-2-one;dihydrochloride",C(CN)C(=O)CN.Cl.Cl,"InChI=1S/C4H10N2O.2ClH/c5-2-1-4(7)3-6;;/h1-3,5-6H2;2*1H",HDRKYQXFDHZZOW-UHFFFAOYSA-N,C4H12Cl2N2O,175.05,174.0326684,,69.1,62,0,4,3,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(TERT-BUTOXY)-4-OXOBUTANOIC ACID,015026-17-2,4139107,4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid,CC(C)(C)OC(=O)CCC(=O)O,"InChI=1S/C8H14O4/c1-8(2,3)12-7(11)5-4-6(9)10/h4-5H2,1-3H3,(H,9,10)",PCOCFIOYWNCGBM-UHFFFAOYSA-N,C8H14O4,174.19,174.0892089,0.5,63.6,178,0,1,4,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEXADECAFLUORODECANEDIOIC ACID,000307-78-8,2733269,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioic acid",C(=O)(C(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C10H2F16O4/c11-3(12,1(27)28)5(15,16)7(19,20)9(23,24)10(25,26)8(21,22)6(17,18)4(13,14)2(29)30/h(H,27,28)(H,29,30)",YPCSMEGZIYWAAZ-UHFFFAOYSA-N,C10H2F16O4,490.09,489.9697591,4.7,74.6,651,0,2,20,9,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DODECANOHYDRAZIDE,005399-22-4,219621,dodecanehydrazide,CCCCCCCCCCCC(=O)NN,"InChI=1S/C12H26N2O/c1-2-3-4-5-6-7-8-9-10-11-12(15)14-13/h2-11,13H2,1H3,(H,14,15)",YTQHSQQSLTYMSL-UHFFFAOYSA-N,C12H26N2O,214.35,214.2045135,3.2,55.1,149,0,2,2,10,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL HYDROGEN SEBACATE,000818-88-2,69957,10-methoxy-10-oxodecanoic acid,COC(=O)CCCCCCCCC(=O)O,"InChI=1S/C11H20O4/c1-15-11(14)9-7-5-3-2-4-6-8-10(12)13/h2-9H2,1H3,(H,12,13)",OSYQOBUUFRGFNG-UHFFFAOYSA-N,C11H20O4,216.27,216.1361591,2.4,63.6,189,0,1,4,10,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SUBERIC ACID MONOMETHYL ESTER,003946-32-5,554191,8-methoxy-8-oxooctanoic acid,COC(=O)CCCCCCC(=O)O,"InChI=1S/C9H16O4/c1-13-9(12)7-5-3-2-4-6-8(10)11/h2-7H2,1H3,(H,10,11)",KOVPXZDUVJGGFU-UHFFFAOYSA-N,C9H16O4,188.22,188.104859,1.8,63.6,165,0,1,4,8,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2,3,3,4,4,5,5,6,6,7,7-DODECAFLUOROHEPTYL ACRYLATE",002993-85-3,76340,"2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl prop-2-enoate",C=CC(=O)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C10H6F12O2/c1-2-4(23)24-3-6(13,14)8(17,18)10(21,22)9(19,20)7(15,16)5(11)12/h2,5H,1,3H2",QJEJDNMGOWJONG-UHFFFAOYSA-N,C10H6F12O2,386.13,386.0176174,4.9,26.3,484,0,0,14,9,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-PENTADECAFLUOROOCTYL ESTER",000307-98-2,67551,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl prop-2-enoate",C=CC(=O)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C11H5F15O2/c1-2-4(27)28-3-5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2H,1,3H2",YSQGYEYXKXGAQA-UHFFFAOYSA-N,C11H5F15O2,454.13,454.0050018,5.8,26.3,604,0,0,17,9,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
12-METHOXY-12-OXODODECANOIC ACID,003903-40-0,231998,12-methoxy-12-oxododecanoic acid,COC(=O)CCCCCCCCCCC(=O)O,"InChI=1S/C13H24O4/c1-17-13(16)11-9-7-5-3-2-4-6-8-10-12(14)15/h2-11H2,1H3,(H,14,15)",REGGDLIBDASKGE-UHFFFAOYSA-N,C13H24O4,244.33,244.1674592,3.5,63.6,213,0,1,4,12,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N,N',N'-TETRAETHYLMALONAMIDE",033931-42-9,551770,"N,N,N',N'-tetraethylpropanediamide",CCN(CC)C(=O)CC(=O)N(CC)CC,"InChI=1S/C11H22N2O2/c1-5-12(6-2)10(14)9-11(15)13(7-3)8-4/h5-9H2,1-4H3",RTHWPWJSSJEQNU-UHFFFAOYSA-N,C11H22N2O2,214.3,214.1681279,0.8,40.6,187,0,0,2,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SAMARIUM (III) BROMIDE,013517-12-9,71310123,tribromosamarium;hexahydrate,O.O.O.O.O.O.Br[Sm](Br)Br,InChI=1S/3BrH.6H2O.Sm/h3*1H;6*1H2;/q;;;;;;;;;+3/p-3,LXJDCZVUWJNXRL-UHFFFAOYSA-K,Br3H12O6Sm,498.2,498.73609,,6,8,0,6,6,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-BROMOETHYL ESTER",004823-47-6,20963,2-bromoethyl prop-2-enoate,C=CC(=O)OCCBr,"InChI=1S/C5H7BrO2/c1-2-5(7)8-4-3-6/h2H,1,3-4H2",CDZAAIHWZYWBSS-UHFFFAOYSA-N,C5H7BrO2,179.01,177.96294,1.2,26.3,90,0,0,2,4,8,,"311 to 316 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BROMO-2-IODOETHANE,000590-16-9,68531,1-bromo-2-iodoethane,C(CI)Br,InChI=1S/C2H4BrI/c3-1-2-4/h1-2H2,HKQCJJOXYWQRFN-UHFFFAOYSA-N,C2H4BrI,234.86,233.85411,2.1,0,10,0,0,0,1,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM (BROMOMETHYL)TRIFLUOROBORATE(POTASSIUM (BROMOMETHYL)TRIFLUOROBORATE),888711-44-2,23690312,potassium bromomethyl(trifluoro)boranuide,[B-](CBr)(F)(F)F.[K+],"InChI=1S/CH2BBrF3.K/c3-1-2(4,5)6;/h1H2;/q-1;+1",AZDFPIRYUOCVCJ-UHFFFAOYSA-N,CH2BBrF3K,200.84,199.90221,,0,44,0,0,4,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3'-OXYDI(PROPYLENE GLYCOL)",000627-82-7,42953,"3-(2,3-dihydroxypropoxy)propane-1,2-diol",C(C(COCC(CO)O)O)O,"InChI=1S/C6H14O5/c7-1-5(9)3-11-4-6(10)2-8/h5-10H,1-4H2",GPLRAVKSCUXZTP-UHFFFAOYSA-N,C6H14O5,166.17,166.0841235,-2.5,90.2,77,0,4,5,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CERIUM(III) ACETYLACETONATE HYDRATE,206996-61-4,16212434,cerium;tris((Z)-4-hydroxypent-3-en-2-one);hydrate,C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.O.[Ce],"InChI=1S/3C5H8O2.Ce.H2O/c3*1-4(6)3-5(2)7;;/h3*3,6H,1-2H3;;1H2/b3*4-3-;;",AHGQVCBMBCKNFG-KJVLTGTBSA-N,C15H26CeO7,458.48,458.0733,,113,380,0,4,7,3,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"2,2-BIS(2-AMINOETHOXY)PROPANE",127090-71-5,19777019,2-[2-(2-aminoethoxy)propan-2-yloxy]ethanamine,CC(C)(OCCN)OCCN,"InChI=1S/C7H18N2O2/c1-7(2,10-5-3-8)11-6-4-9/h3-6,8-9H2,1-2H3",YDMYVTCIPQGGPB-UHFFFAOYSA-N,C7H18N2O2,162.23,162.1368278,-1.2,70.5,86,0,2,4,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(HYDROXYMETHYL)ACETAMIDE,000625-51-4,69365,N-(hydroxymethyl)acetamide,CC(=O)NCO,"InChI=1S/C3H7NO2/c1-3(6)4-2-5/h5H,2H2,1H3,(H,4,6)",HWJHZLJIIWOTGZ-UHFFFAOYSA-N,C3H7NO2,89.09,89.04767847,-1,49.3,52,0,2,2,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2,2-TRIFLUORO-N-(HYDROXYMETHYL)ACETAMIDE",050667-69-1,3084931,"2,2,2-trifluoro-N-(hydroxymethyl)acetamide",C(NC(=O)C(F)(F)F)O,"InChI=1S/C3H4F3NO2/c4-3(5,6)2(9)7-1-8/h8H,1H2,(H,7,9)",URUWXKFAEKTWKG-UHFFFAOYSA-N,C3H4F3NO2,143.06,143.0194129,0.1,49.3,110,0,2,5,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GLYCINAMIDE HYDROCHLORIDE,001668-10-6,2723639,2-aminoacetamide;hydrochloride,C(C(=O)N)N.Cl,"InChI=1S/C2H6N2O.ClH/c3-1-2(4)5;/h1,3H2,(H2,4,5);1H",WKNMKGVLOWGGOU-UHFFFAOYSA-N,C2H7ClN2O,110.54,110.0246905,,69.1,42,0,3,2,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DECANE-2,9-DIONE",016538-91-3,537414,"decane-2,9-dione",CC(=O)CCCCCCC(=O)C,"InChI=1S/C10H18O2/c1-9(11)7-5-3-4-6-8-10(2)12/h3-8H2,1-2H3",YUMJAVUEKNJIQY-UHFFFAOYSA-N,C10H18O2,170.25,170.1306798,1.3,34.1,132,0,0,2,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANAMINIUM, N,N,N-TRIMETHYL-, IODIDE",000051-93-4,66125,ethyl(trimethyl)azanium iodide,CC[N+](C)(C)C.[I-],"InChI=1S/C5H14N.HI/c1-5-6(2,3)4;/h5H2,1-4H3;1H/q+1;/p-1",ZPEBBUBSCOELHI-UHFFFAOYSA-M,C5H14IN,215.08,215.0171,,0,33,0,0,1,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANAMINIUM, 2-(ACETYLOXY)-N,N,N-TRIMETHYL-, BROMIDE",000066-23-9,65551,2-acetyloxyethyl(trimethyl)azanium bromide,CC(=O)OCC[N+](C)(C)C.[Br-],"InChI=1S/C7H16NO2.BrH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1",ZEHGKSPCAMLJDC-UHFFFAOYSA-M,C7H16BrNO2,226.11,225.03644,,26.3,115,0,0,3,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"GLYCINE, N-[IMINO(PHOSPHONOAMINO)METHYL]-N-METHYL-",000067-07-2,9548602,2-[methyl-[(E)-N'-phosphonocarbamimidoyl]amino]acetic acid,CN(CC(=O)O)/C(=N/P(=O)(O)O)/N,"InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)",DRBBFCLWYRJSJZ-UHFFFAOYSA-N,C4H10N3O5P,211.11,211.0358074,-2.6,136,271,0,4,6,4,13,,449.1±47.0 °C at 760 mmHg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANEDIOIC ACID, [(CARBOXYMETHYL)THIO]-",000099-68-3,97922,2-(carboxymethylsulfanyl)butanedioic acid,C(C(C(=O)O)SCC(=O)O)C(=O)O,"InChI=1S/C6H8O6S/c7-4(8)1-3(6(11)12)13-2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",JPHVSDWIWBDHOC-UHFFFAOYSA-N,C6H8O6S,208.19,208.0041591,-0.4,137,225,0,3,7,6,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PENTANEDIOIC ACID, 3-OXO-, DIETHYL ESTER",000105-50-0,66045,diethyl 3-oxopentanedioate,CCOC(=O)CC(=O)CC(=O)OCC,"InChI=1S/C9H14O5/c1-3-13-8(11)5-7(10)6-9(12)14-4-2/h3-6H2,1-2H3",ZSANYRMTSBBUCA-UHFFFAOYSA-N,C9H14O5,202.2,202.0841235,0.7,69.7,199,0,0,5,8,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6-OCTEN-1-OL, 3,7-DIMETHYL-, FORMATE",000105-85-1,7778,"3,7-dimethyloct-6-enyl formate",CC(CCC=C(C)C)CCOC=O,"InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3",DZNVIZQPWLDQHI-UHFFFAOYSA-N,C11H20O2,184.27,184.1463299,3.8,26.3,157,0,0,2,7,13,,235.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"3,7-DIMETHYL-6-OCTEN-1-OL",000106-22-9,8842,"3,7-dimethyloct-6-en-1-ol",CC(CCC=C(C)C)CCO,"InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3",QMVPMAAFGQKVCJ-UHFFFAOYSA-N,C10H20O,156.26,156.1514153,3.2,20.2,112,0,1,1,5,11,,224 °C,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"2,6-OCTADIENAL, 3,7-DIMETHYL-, (Z)",000106-26-3,643779,"(2Z)-3,7-dimethylocta-2,6-dienal",CC(=CCC/C(=C\C=O)/C)C,"InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-",WTEVQBCEXWBHNA-YFHOEESVSA-N,C10H16O,152.23,152.1201151,3,17.1,171,0,0,1,4,11,,228.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"PENTANOIC ACID, 5-AMINO-4-OXO-",000106-60-5,137,5-amino-4-oxopentanoic acid,C(CC(=O)O)C(=O)CN,"InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)",ZGXJTSGNIOSYLO-UHFFFAOYSA-N,C5H9NO3,131.13,131.0582431,-3.8,80.4,121,0,2,4,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"10-UNDECENOIC ACID, BUTYL ESTER",000109-42-2,61027,butyl undec-10-enoate,CCCCOC(=O)CCCCCCCCC=C,"InChI=1S/C15H28O2/c1-3-5-7-8-9-10-11-12-13-15(16)17-14-6-4-2/h3H,1,4-14H2,2H3",GRAORJFMGCQWRN-UHFFFAOYSA-N,C15H28O2,240.38,240.2089301,5.5,26.3,187,0,0,2,13,17,,249.00 to 254.00 °C. @ 756.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"CARBAMIC ACID, (2-AMINOETHYL)-",000109-58-0,32412,2-aminoethylcarbamic acid,C(CNC(=O)O)N,"InChI=1S/C3H8N2O2/c4-1-2-5-3(6)7/h5H,1-2,4H2,(H,6,7)",RLRHPCKWSXWKBG-UHFFFAOYSA-N,C3H8N2O2,104.11,104.0585775,-3.6,75.4,64,0,3,3,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
2-METHYLUNDECANAL,000110-41-8,61031,2-methylundecanal,CCCCCCCCCC(C)C=O,"InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h11-12H,3-10H2,1-2H3",NFAVNWJJYQAGNB-UHFFFAOYSA-N,C12H24O,184.32,184.1827154,4.9,17.1,110,0,0,1,9,13,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"DODECANOIC ACID, 2-BROMO-",000111-56-8,66980,2-bromododecanoic acid,CCCCCCCCCCC(C(=O)O)Br,"InChI=1S/C12H23BrO2/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11H,2-10H2,1H3,(H,14,15)",HXKXBCBZXXQPPD-UHFFFAOYSA-N,C12H23BrO2,279.21,278.08814,5.7,37.3,160,0,1,2,10,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DODECANE, 1-CHLORO-",000112-52-7,8192,1-chlorododecane,CCCCCCCCCCCCCl,"InChI=1S/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3",YAYNEUUHHLGGAH-UHFFFAOYSA-N,C12H25Cl,204.78,204.1644785,6.9,0,81,0,0,0,10,13,"235 °F (NTP, 1992)","500 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"9-OCTADECENENITRILE, (Z)-",000112-91-4,6420241,(Z)-octadec-9-enenitrile,CCCCCCCC/C=C\CCCCCCCC#N,"InChI=1S/C18H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-17H2,1H3/b10-9-",UIAMCVSNZQYIQS-KTKRTIGZSA-N,C18H33N,263.5,263.2613001,7.1,23.8,233,0,0,1,14,19,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, TRISILVER(1+) SALT",000126-45-4,101599,"trisilver;2-hydroxypropane-1,2,3-tricarboxylate",C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Ag+].[Ag+].[Ag+],"InChI=1S/C6H8O7.3Ag/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3",QUTYHQJYVDNJJA-UHFFFAOYSA-K,C6H5Ag3O7,512.7,511.71847,,141,211,0,1,7,2,16,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"DECANAMIDE, N,N-BIS(2-HYDROXYETHYL)-",000136-26-5,61081,"N,N-bis(2-hydroxyethyl)decanamide",CCCCCCCCCC(=O)N(CCO)CCO,"InChI=1S/C14H29NO3/c1-2-3-4-5-6-7-8-9-14(18)15(10-12-16)11-13-17/h16-17H,2-13H2,1H3",BPXGKRUSMCVZAF-UHFFFAOYSA-N,C14H29NO3,259.38,259.2147438,2.4,60.8,191,0,2,3,12,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3,5,9-UNDECATRIEN-2-ONE, 6,10-DIMETHYL-",000141-10-6,1757003,"(3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one",CC(=CCC/C(=C/C=C/C(=O)C)/C)C,"InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3/b10-6+,12-9+",JXJIQCXXJGRKRJ-KOOBJXAQSA-N,C13H20O,192.3,192.1514153,3.9,17.1,263,0,0,1,5,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"7-OCTEN-1-OL, 3,7-DIMETHYL-, ACETATE",000141-11-7,8833,"3,7-dimethyloct-7-enyl acetate",CC(CCCC(=C)C)CCOC(=O)C,"InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h11H,1,5-9H2,2-4H3",WNXJCQNXNOOMDJ-UHFFFAOYSA-N,C12H22O2,198.3,198.1619799,4.1,26.3,185,0,0,2,8,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"CARBONODITHIOIC ACID, O-BUTYL ESTER, SODIUM SALT",000141-33-3,23667651,sodium butoxymethanedithioate,CCCCOC(=S)[S-].[Na+],"InChI=1S/C5H10OS2.Na/c1-2-3-4-6-5(7)8;/h2-4H2,1H3,(H,7,8);/q;+1/p-1",AAJRIJBGDLLRAE-UHFFFAOYSA-M,C5H9NaOS2,172.2,171.9992515,,42.3,77,0,0,3,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"OCTADECANOIC ACID, 2-BROMO-",000142-94-9,97917,2-bromooctadecanoic acid,CCCCCCCCCCCCCCCCC(C(=O)O)Br,"InChI=1S/C18H35BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17H,2-16H2,1H3,(H,20,21)",KRBFFJIZAKABSA-UHFFFAOYSA-N,C18H35BrO2,363.4,362.18204,8.9,37.3,231,0,1,2,16,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-OCTANAMINE, HYDROCHLORIDE",000142-95-0,67346,octan-1-amine;hydrochloride,CCCCCCCCN.Cl,"InChI=1S/C8H19N.ClH/c1-2-3-4-5-6-7-8-9;/h2-9H2,1H3;1H",PHFDTSRDEZEOHG-UHFFFAOYSA-N,C8H20ClN,165.7,165.1284273,,26,43,0,2,1,6,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3,7-DIMETHYL-6-OCTEN-1-OL ACETATE",000150-84-5,9017,"3,7-dimethyloct-6-enyl acetate",CC(CCC=C(C)C)CCOC(=O)C,"InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3",JOZKFWLRHCDGJA-UHFFFAOYSA-N,C12H22O2,198.3,198.1619799,3.8,26.3,190,0,0,2,7,14,,229.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHOROUS ACID, TRIS(2-ETHYLHEXYL) ESTER",000301-13-3,9320,tris(2-ethylhexyl) phosphite,CCCCC(CC)COP(OCC(CC)CCCC)OCC(CC)CCCC,"InChI=1S/C24H51O3P/c1-7-13-16-22(10-4)19-25-28(26-20-23(11-5)17-14-8-2)27-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3",ILLOBGFGKYTZRO-UHFFFAOYSA-N,C24H51O3P,418.6,418.3575825,9.5,27.7,267,0,0,3,21,28,"340 °F (NTP, 1992)","325 to 327 °F at 0.3 mmHg (NTP, 1992)",0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-OCTANOL, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-PENTADECAFLUORO-",000307-30-2,67543,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-ol",C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C8H3F15O/c9-2(10,1-24)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h24H,1H2",PJDOLCGOTSNFJM-UHFFFAOYSA-N,C8H3F15O,400.08,399.9944371,4.6,20.2,461,0,1,16,6,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TETRADECANE, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,",000307-63-1,67547,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-nonacosafluoro-14-iodotetradecane",C(C(C(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C14F29I/c15-1(16,3(19,20)5(23,24)7(27,28)9(31,32)11(35,36)13(39,40)41)2(17,18)4(21,22)6(25,26)8(29,30)10(33,34)12(37,38)14(42,43)44",MHIPPKXKESHCIO-UHFFFAOYSA-N,C14F29I,846.01,845.85816,10.8,0,1060,0,0,29,12,44,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANE, TRIBROMOFLUORO-",000353-54-8,67707,tribromo(fluoro)methane,C(F)(Br)(Br)Br,"InChI=1S/CBr3F/c2-1(3,4)5",IHZAEIHJPNTART-UHFFFAOYSA-N,CBr3F,270.72,269.75137,3,0,28,0,0,1,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,1,2,2-TETRACHLORO-1-FLUOROETHANE (HCFC-121)",000354-14-3,61105,"1,1,2,2-tetrachloro-1-fluoroethane",C(C(F)(Cl)Cl)(Cl)Cl,"InChI=1S/C2HCl4F/c3-1(4)2(5,6)7/h1H",LUBCGHUOCJOIJA-UHFFFAOYSA-N,C2HCl4F,185.8,185.878689,3.2,0,60,0,0,1,1,7,,116 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANE, 1,1,1,2,2,3,3-HEPTAFLUORO-4-IODO-",000374-98-1,67806,"1,1,1,2,2,3,3-heptafluoro-4-iodobutane",C(C(C(C(F)(F)F)(F)F)(F)F)I,"InChI=1S/C4H2F7I/c5-2(6,1-12)3(7,8)4(9,10)11/h1H2",AFHPVXVEXINDFS-UHFFFAOYSA-N,C4H2F7I,309.95,309.90894,3.8,0,159,0,0,7,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEPTANE, 1-BROMO-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-PENTADECAFLUORO-",000375-88-2,67819,"1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane",C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)Br)(F)F)(F)F)(F)F,"InChI=1S/C7BrF15/c8-6(19,20)4(15,16)2(11,12)1(9,10)3(13,14)5(17,18)7(21,22)23",VPQQZKWYZYVTMU-UHFFFAOYSA-N,C7BrF15,448.95,447.89439,6.2,0,445,0,0,15,5,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PENTADECAFLUOROOCTANOIC ACID METHYL ESTER,000376-27-2,67824,"methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate",COC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C9H3F15O2/c1-26-2(25)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h1H3",XOCNYZFAMHDXJK-UHFFFAOYSA-N,C9H3F15O2,428.09,427.9893518,5.3,26.3,546,0,0,17,7,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANEDIOIC ACID, TETRAFLUORO-, DIETHYL ESTER",000377-71-9,67834,"diethyl 2,2,3,3-tetrafluorobutanedioate",CCOC(=O)C(C(C(=O)OCC)(F)F)(F)F,"InChI=1S/C8H10F4O4/c1-3-15-5(13)7(9,10)8(11,12)6(14)16-4-2/h3-4H2,1-2H3",BLZSSBPZHBFNBN-UHFFFAOYSA-N,C8H10F4O4,246.16,246.0515214,2.1,52.6,249,0,0,8,7,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANOIC ACID, PENTAFLUORO-, SODIUM SALT",000378-77-8,2733305,"sodium 2,2,3,3,3-pentafluoropropanoate",C(=O)(C(C(F)(F)F)(F)F)[O-].[Na+],"InChI=1S/C3HF5O2.Na/c4-2(5,1(9)10)3(6,7)8;/h(H,9,10);/q;+1/p-1",SCWLIHXXYXFUFV-UHFFFAOYSA-M,C3F5NaO2,186.01,185.9716143,,40.1,152,0,0,7,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PENTANOIC ACID, 2-HYDROXY-4-METHYL-",000498-36-2,92779,2-hydroxy-4-methylpentanoic acid,CC(C)CC(C(=O)O)O,"InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)",LVRFTAZAXQPQHI-UHFFFAOYSA-N,C6H12O3,132.16,132.0786442,0.9,57.5,98,0,2,3,3,9,,249.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANEDIOIC ACID, DIETHYL-",000510-20-3,68185,"2,2-diethylpropanedioic acid",CCC(CC)(C(=O)O)C(=O)O,"InChI=1S/C7H12O4/c1-3-7(4-2,5(8)9)6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)",LTMRRSWNXVJMBA-UHFFFAOYSA-N,C7H12O4,160.17,160.0735589,1.1,74.6,153,0,2,4,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Cerium-citrate-,000512-24-3,22559880,"cerium(3+);2-hydroxypropane-1,2,3-tricarboxylate",C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Ce+3],"InChI=1S/C6H8O7.Ce/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3",DLNAGPYXDXKSDK-UHFFFAOYSA-K,C6H5CeO7,329.22,328.90898,,141,211,0,1,7,2,14,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,2-ETHANEDISULFONIC ACID, 1,2-DIHYDROXY-, DISODIUM SALT",000517-21-5,2723958,"disodium;1,2-dihydroxyethane-1,2-disulfonate",C(C(O)S(=O)(=O)[O-])(O)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C2H6O8S2.2Na/c3-1(11(5,6)7)2(4)12(8,9)10;;/h1-4H,(H,5,6,7)(H,8,9,10);;/q;2*+1/p-2",BXUKAXFDABMVND-UHFFFAOYSA-L,C2H4Na2O8S2,266.2,265.914298,,172,262,0,2,8,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM SESQUICARBONATE,000533-96-0,10791,trisodium;hydrogen carbonate;carbonate,C(=O)(O)[O-].C(=O)([O-])[O-].[Na+].[Na+].[Na+],"InChI=1S/2CH2O3.3Na/c2*2-1(3)4;;;/h2*(H2,2,3,4);;;/q;;3*+1/p-3",WCTAGTRAWPDFQO-UHFFFAOYSA-K,C2HNa3O6,189.99,189.9466206,,124,43,0,1,6,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEXANOIC ACID, PENTYL ESTER",000540-07-8,10886,pentyl hexanoate,CCCCCC(=O)OCCCCC,"InChI=1S/C11H22O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3",WRFZKAGPPQGDDQ-UHFFFAOYSA-N,C11H22O2,186.29,186.1619799,3.8,26.3,121,0,0,2,9,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-BUTANETHIOL, 3-METHYL-",000541-31-1,10925,3-methylbutane-1-thiol,CC(C)CCS,"InChI=1S/C5H12S/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3",GIJGXNFNUUFEGH-UHFFFAOYSA-N,C5H12S,104.22,104.0659716,2.2,1,25,0,1,1,2,6,,119.00 to 120.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANAMIDE, 3-METHYL-",000541-46-8,10930,3-methylbutanamide,CC(C)CC(=O)N,"InChI=1S/C5H11NO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H2,6,7)",SANOUVWGPVYVAV-UHFFFAOYSA-N,C5H11NO,101.15,101.084064,0.4,43.1,68,0,1,1,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANOIC ACID, 3-OXO-, 1-METHYLETHYL ESTER",000542-08-5,68329,propan-2-yl 3-oxobutanoate,CC(C)OC(=O)CC(=O)C,"InChI=1S/C7H12O3/c1-5(2)10-7(9)4-6(3)8/h5H,4H2,1-3H3",GVIIRWAJDFKJMJ-UHFFFAOYSA-N,C7H12O3,144.17,144.0786442,0.8,43.4,138,0,0,3,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"7-OCTEN-2-OL, 2-METHYL-6-METHYLENE-",000543-39-5,10975,2-methyl-6-methylideneoct-7-en-2-ol,CC(C)(CCCC(=C)C=C)O,"InChI=1S/C10H18O/c1-5-9(2)7-6-8-10(3,4)11/h5,11H,1-2,6-8H2,3-4H3",DUNCVNHORHNONW-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,3,20.2,145,0,1,1,5,11,,99.00 to 100.00 °C. @ 10.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"9,12-OCTADECADIENOIC ACID (Z,Z)-, ETHYL ESTER",000544-35-4,5282184,"ethyl (9Z,12Z)-octadeca-9,12-dienoate",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC,"InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8-,12-11-",FMMOOAYVCKXGMF-MURFETPASA-N,C20H36O2,308.5,308.2715304,7.3,26.3,292,0,0,2,16,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"9-TETRADECENOIC ACID, (Z)-",000544-64-9,5281119,(Z)-tetradec-9-enoic acid,CCCC/C=C\CCCCCCCC(=O)O,"InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5-",YWWVWXASSLXJHU-WAYWQWQTSA-N,C14H26O2,226.35,226.1932801,5.1,37.3,185,0,1,2,11,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"FORMIC ACID, LITHIUM SALT",000556-63-8,23680280,lithium formate,[Li+].C(=O)[O-],"InChI=1S/CH2O2.Li/c2-1-3;/h1H,(H,2,3);/q;+1/p-1",XKPJKVVZOOEMPK-UHFFFAOYSA-M,CHLiO2,52,52.0136577,,40.1,13,0,0,2,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-NONADIENAL, (E,Z)-",000557-48-2,643731,"(2E,6Z)-nona-2,6-dienal",CC/C=C\CC/C=C/C=O,"InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3/b4-3-,8-7+",HZYHMHHBBBSGHB-ODYTWBPASA-N,C9H14O,138.21,138.1044651,2.2,17.1,123,0,0,1,5,10,,94.00 to 95.00 °C. @ 18.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"CARBONIC ACID, LANTHANUM(3+) SALT (3:2)",000587-26-8,168924,bis(lanthanum(3+));tricarbonate,C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].[La+3].[La+3],"InChI=1S/3CH2O3.2La/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6",NZPIUJUFIFZSPW-UHFFFAOYSA-H,C3La2O9,457.84,457.76696,,190,18,0,0,9,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-(AMINOCARBONYL)-",000591-07-1,68956,N-carbamoylacetamide,CC(=O)NC(=O)N,"InChI=1S/C3H6N2O2/c1-2(6)5-3(4)7/h1H3,(H3,4,5,6,7)",GKRZNOGGALENQJ-UHFFFAOYSA-N,C3H6N2O2,102.09,102.0429274,-0.7,72.2,99,0,2,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANE, 2,2-DIBROMO-",000594-16-1,11658,"2,2-dibromopropane",CC(C)(Br)Br,"InChI=1S/C3H6Br2/c1-3(2,4)5/h1-2H3",ARITXYXYCOZKMU-UHFFFAOYSA-N,C3H6Br2,201.89,201.88158,2.5,0,27,0,0,0,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHORIC ACID, DIETHYL ESTER",000598-02-7,654,diethyl hydrogen phosphate,CCOP(=O)(O)OCC,"InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)",UCQFCFPECQILOL-UHFFFAOYSA-N,C4H11O4P,154.1,154.0394958,-0.3,55.8,103,0,1,4,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CARBAMODITHIOIC ACID, DIMETHYL-, COMPD. WITH N-METHYLMETHANAMINE (1:1)",000598-64-1,221511,dimethylcarbamodithioic acid;N-methylmethanamine,CNC.CN(C)C(=S)S,"InChI=1S/C3H7NS2.C2H7N/c1-4(2)3(5)6;1-3-2/h1-2H3,(H,5,6);3H,1-2H3",UVOFGKIRTCCNKG-UHFFFAOYSA-N,C5H14N2S2,166.3,166.0598408,,48.4,62,0,2,3,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"GUANIDINE, N,N-DIMETHYL-, SULFATE (2:1)",000598-65-2,69024,"bis(1,1-dimethylguanidine);sulfuric acid",CN(C)C(=N)N.CN(C)C(=N)N.OS(=O)(=O)O,"InChI=1S/2C3H9N3.H2O4S/c2*1-6(2)3(4)5;1-5(2,3)4/h2*1-2H3,(H3,4,5);(H2,1,2,3,4)",QSCHFHVDZCPIKX-UHFFFAOYSA-N,C6H20N6O4S,272.33,272.1266743,,189,138,0,6,6,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANOIC ACID, 2-ETHYL-3-OXO-, ETHYL ESTER",000607-97-6,79065,ethyl 2-ethyl-3-oxobutanoate,CCC(C(=O)C)C(=O)OCC,"InChI=1S/C8H14O3/c1-4-7(6(3)9)8(10)11-5-2/h7H,4-5H2,1-3H3",OKANYBNORCUPKZ-UHFFFAOYSA-N,C8H14O3,158.19,158.0942943,1.3,43.4,151,0,0,3,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DL-ALANINE, ETHYL ESTER, HYDROCHLORIDE",000617-27-6,102560,ethyl 2-aminopropanoate;hydrochloride,CCOC(=O)C(C)N.Cl,"InChI=1S/C5H11NO2.ClH/c1-3-8-5(7)4(2)6;/h4H,3,6H2,1-2H3;1H",JCXLZWMDXJFOOI-UHFFFAOYSA-N,C5H12ClNO2,153.61,153.0556563,,52.3,82,0,2,3,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DECANOIC ACID, 2-OCTYL-",000619-39-6,69271,2-octyldecanoic acid,CCCCCCCCC(CCCCCCCC)C(=O)O,"InChI=1S/C18H36O2/c1-3-5-7-9-11-13-15-17(18(19)20)16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,19,20)",OYYXZGFIZTYYRB-UHFFFAOYSA-N,C18H36O2,284.5,284.2715304,7.5,37.3,197,0,1,2,15,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, HYDROXY-, ETHYL ESTER",000623-50-7,12184,ethyl 2-hydroxyacetate,CCOC(=O)CO,"InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3",ZANNOFHADGWOLI-UHFFFAOYSA-N,C4H8O3,104.1,104.0473441,-0.2,46.5,60,0,1,3,3,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANOIC ACID, 3-CHLORO-, ETHYL ESTER",000623-71-2,69341,ethyl 3-chloropropanoate,CCOC(=O)CCCl,"InChI=1S/C5H9ClO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3",ZCLGVXACCAZJOX-UHFFFAOYSA-N,C5H9ClO2,136.58,136.0291072,1,26.3,72,0,0,2,4,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-ETHANEDIAMINE, DIHYDROBROMIDE",000624-59-9,164699,"ethane-1,2-diamine;dihydrobromide",C(CN)N.Br.Br,InChI=1S/C2H8N2.2BrH/c3-1-2-4;;/h1-4H2;2*1H,BCQZYUOYVLJOPE-UHFFFAOYSA-N,C2H10Br2N2,221.92,221.91902,,52,6,0,4,2,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
HYDRAZINECARBOXALDEHYDE,000624-84-0,12229,formohydrazide,C(=O)NN,"InChI=1S/CH4N2O/c2-3-1-4/h1H,2H2,(H,3,4)",XZBIXDPGRMLSTC-UHFFFAOYSA-N,CH4N2O,60.056,60.03236276,-2,55.1,20,0,2,2,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PENTANE, 1,4-DIBROMO-",000626-87-9,79082,"1,4-dibromopentane",CC(CCCBr)Br,"InChI=1S/C5H10Br2/c1-5(7)3-2-4-6/h5H,2-4H2,1H3",CNBFRBXEGGRSPL-UHFFFAOYSA-N,C5H10Br2,229.94,229.91288,2.9,0,37,0,0,0,3,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, CHROMIUM(2+) SALT",000628-52-4,120304,chromium(2+) diacetate,CC(=O)[O-].CC(=O)[O-].[Cr+2],"InChI=1S/2C2H4O2.Cr/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",LRCIYVMVWAMTKX-UHFFFAOYSA-L,C4H6CrO4,170.08,169.967113,,80.3,25,0,0,4,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OCTANAMIDE,000629-01-6,69414,octanamide,CCCCCCCC(=O)N,"InChI=1S/C8H17NO/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H2,9,10)",LTHCSWBWNVGEFE-UHFFFAOYSA-N,C8H17NO,143.23,143.1310142,2.4,43.1,91,0,1,1,6,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"DISULFIDE, DIBUTYL",000629-45-8,12386,1-(butyldisulfanyl)butane,CCCCSSCCCC,"InChI=1S/C8H18S2/c1-3-5-7-9-10-8-6-4-2/h3-8H2,1-2H3",CUDSBWGCGSUXDB-UHFFFAOYSA-N,C8H18S2,178.4,178.0849929,3.4,50.6,47,0,0,2,7,10,,229.00 to 233.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEXADECANAL,000629-80-1,984,hexadecanal,CCCCCCCCCCCCCCCC=O,"InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3",NIOYUNMRJMEDGI-UHFFFAOYSA-N,C16H32O,240.42,240.2453156,7.1,17.1,142,0,0,1,14,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OCTADECANE, 1-IODO-",000629-93-6,12402,1-iodooctadecane,CCCCCCCCCCCCCCCCCCI,"InChI=1S/C18H37I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3",ZNJOCVLVYVOUGB-UHFFFAOYSA-N,C18H37I,380.4,380.194,10.7,0,145,0,0,0,16,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRADECANAMIDE,000638-58-4,69492,tetradecanamide,CCCCCCCCCCCCCC(=O)N,"InChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H2,15,16)",QEALYLRSRQDCRA-UHFFFAOYSA-N,C14H29NO,227.39,227.2249145,4.6,43.1,157,0,1,1,12,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1
"PENTANE, 1,1,1,2,2,3,3,4,4,5,5-UNDECAFLUORO-5-IODO-",000638-79-9,69494,"1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-iodopentane",C(C(C(F)(F)F)(F)F)(C(C(F)(F)I)(F)F)(F)F,"InChI=1S/C5F11I/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17",KCEJJSGJNCSQFI-UHFFFAOYSA-N,C5F11I,395.94,395.88691,4.8,0,289,0,0,11,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PENTANE, DODECAFLUORO-",000678-26-2,12675,"1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane",C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,"InChI=1S/C5F12/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17",NJCBUSHGCBERSK-UHFFFAOYSA-N,C5F12,288.03,287.9808379,4.5,0,250,0,0,12,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANE, 1-(2-PROPENYLOXY)-2,2-BIS[(2-PROPENYLOXY)METHYL]-",000682-08-6,69628,"1-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)butane",CCC(COCC=C)(COCC=C)COCC=C,"InChI=1S/C15H26O3/c1-5-9-16-12-15(8-4,13-17-10-6-2)14-18-11-7-3/h5-7H,1-3,8-14H2,4H3",JPTSCQGFFOSLQE-UHFFFAOYSA-N,C15H26O3,254.36,254.1881947,2.7,27.7,200,0,0,3,13,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-BUTANOL, 2,2-BIS[(2-PROPENYLOXY)METHYL]-",000682-09-7,61196,"2,2-bis(prop-2-enoxymethyl)butan-1-ol",CCC(CO)(COCC=C)COCC=C,"InChI=1S/C12H22O3/c1-4-7-14-10-12(6-3,9-13)11-15-8-5-2/h4-5,13H,1-2,6-11H2,3H3",BDKDHWOPFRTWPP-UHFFFAOYSA-N,C12H22O3,214.3,214.1568946,1.5,38.7,164,0,1,3,10,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, 2,2-DICHLORO-",000683-72-7,12694,"2,2-dichloroacetamide",C(C(=O)N)(Cl)Cl,"InChI=1S/C2H3Cl2NO/c3-1(4)2(5)6/h1H,(H2,5,6)",WCGGWVOVFQNRRS-UHFFFAOYSA-N,C2H3Cl2NO,127.95,126.9591691,0.2,43.1,62,0,1,1,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-HEXADIENOIC ACID, METHYL ESTER, (E,E)-",000689-89-4,5323650,"methyl (2E,4E)-hexa-2,4-dienoate",C/C=C/C=C/C(=O)OC,"InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3/b4-3+,6-5+",KWKVAGQCDSHWFK-VNKDHWASSA-N,C7H10O2,126.15,126.0680796,1.6,26.3,134,0,0,2,3,9,,180.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"DECANEDIOIC ACID, MONOETHYL ESTER",000693-55-0,69660,10-ethoxy-10-oxodecanoic acid,CCOC(=O)CCCCCCCCC(=O)O,"InChI=1S/C12H22O4/c1-2-16-12(15)10-8-6-4-3-5-7-9-11(13)14/h2-10H2,1H3,(H,13,14)",DLZCDMPHHUODDO-UHFFFAOYSA-N,C12H22O4,230.3,230.1518092,2.8,63.6,201,0,1,4,11,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANEDIOIC ACID, METHYLOXO-, DIETHYL ESTER",000759-65-9,97750,diethyl 2-methyl-3-oxobutanedioate,CCOC(=O)C(C)C(=O)C(=O)OCC,"InChI=1S/C9H14O5/c1-4-13-8(11)6(3)7(10)9(12)14-5-2/h6H,4-5H2,1-3H3",OQOCQBJWOCRPQY-UHFFFAOYSA-N,C9H14O5,202.2,202.0841235,1.3,69.7,233,0,0,5,7,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANEDIOIC ACID, 2,3-DIHYDROXY- [R-(R*,R*)]-, TIN(2+) SALT (1:1)",000815-85-0,66545835,"(2R,3R)-2,3-dihydroxybutanedioate;tin(2+)",[C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O.[Sn+2],"InChI=1S/C4H6O6.Sn/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+2/p-2/t1-,2-;/m1./s1",YXTDAZMTQFUZHK-ZVGUSBNCSA-L,C4H4O6Sn,266.78,267.90299,,121,123,0,2,6,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PENTANEDIOIC ACID, DIETHYL ESTER",000818-38-2,13163,diethyl pentanedioate,CCOC(=O)CCCC(=O)OCC,"InChI=1S/C9H16O4/c1-3-12-8(10)6-5-7-9(11)13-4-2/h3-7H2,1-2H3",OUWSNHWQZPEFEX-UHFFFAOYSA-N,C9H16O4,188.22,188.104859,1,52.6,147,0,0,4,8,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEPTANE, 1,7-DICHLORO-",000821-76-1,69965,"1,7-dichloroheptane",C(CCCCl)CCCCl,InChI=1S/C7H14Cl2/c8-6-4-2-1-3-5-7-9/h1-7H2,PSEMXLIZFGUOGC-UHFFFAOYSA-N,C7H14Cl2,169.09,168.0472558,3.4,0,40,0,0,0,6,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"NONANE, 1,9-DICHLORO-",000821-99-8,13191,"1,9-dichlorononane",C(CCCCCl)CCCCCl,InChI=1S/C9H18Cl2/c10-8-6-4-2-1-3-5-7-9-11/h1-9H2,JMGRNJZUQCEJDB-UHFFFAOYSA-N,C9H18Cl2,197.14,196.078556,4.9,0,56,0,0,0,8,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TRIDECANE, 1-CHLORO-",000822-13-9,13193,1-chlorotridecane,CCCCCCCCCCCCCCl,"InChI=1S/C13H27Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3",ASZMYJSJEOGSBR-UHFFFAOYSA-N,C13H27Cl,218.8,218.1801286,7.4,0,91,0,0,0,11,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANAMINIUM, 2-(ACETYLOXY)-N,N,N-TRIMETHYL-, PERCHLORATE",000927-86-6,93565,2-acetyloxyethyl(trimethyl)azanium perchlorate,CC(=O)OCC[N+](C)(C)C.[O-]Cl(=O)(=O)=O,"InChI=1S/C7H16NO2.ClHO4/c1-7(9)10-6-5-8(2,3)4;2-1(3,4)5/h5-6H2,1-4H3;(H,2,3,4,5)/q+1;/p-1",SHIQLFRCVFUYEK-UHFFFAOYSA-M,C7H16ClNO6,245.66,245.0666149,,101,211,0,0,6,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DISILOXANE, HEXAETHYL-",000994-49-0,70442,triethyl(triethylsilyloxy)silane,CC[Si](CC)(CC)O[Si](CC)(CC)CC,"InChI=1S/C12H30OSi2/c1-7-14(8-2,9-3)13-15(10-4,11-5)12-6/h7-12H2,1-6H3",WILBTFWIBAOWLN-UHFFFAOYSA-N,C12H30OSi2,246.54,246.1835187,,9.2,128,0,0,1,8,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TETRASILOXANE, 1,1,3,3,5,5,7,7-OCTAMETHYL-",001000-05-1,6328651,,C[Si](C)O[Si](C)(C)O[Si](C)(C)O[Si](C)C,"InChI=1S/C8H24O3Si4/c1-12(2)9-14(5,6)11-15(7,8)10-13(3)4/h1-8H3",ILBWBNOBGCYGSU-UHFFFAOYSA-N,C8H24O3Si4,280.61,280.0802508,,27.7,174,0,0,3,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYLOLUREA,001000-82-4,13842,hydroxymethylurea,C(NC(=O)N)O,"InChI=1S/C2H6N2O2/c3-2(6)4-1-5/h5H,1H2,(H3,3,4,6)",VGGLHLAESQEWCR-UHFFFAOYSA-N,C2H6N2O2,90.08,90.04292744,-1.7,75.4,53,0,3,2,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-HEXYN-1-OL,001002-28-4,66083,hex-3-yn-1-ol,CCC#CCCO,"InChI=1S/C6H10O/c1-2-3-4-5-6-7/h7H,2,5-6H2,1H3",ODEHKVYXWLXRRR-UHFFFAOYSA-N,C6H10O,98.14,98.07316494,1.1,20.2,82,0,1,1,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SILICIC ACID (H4SIO4), TETRA-2-PROPENYL ESTER",001067-43-2,70600,tetrakis(prop-2-enyl) silicate,C=CCO[Si](OCC=C)(OCC=C)OCC=C,"InChI=1S/C12H20O4Si/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-8H,1-4,9-12H2",SQAIGLXMIMWFEQ-UHFFFAOYSA-N,C12H20O4Si,256.37,256.1130857,,36.9,199,0,0,4,12,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-CYANO-, ISOBUTYL ESTER",001069-55-2,14046,2-methylpropyl 2-cyanoprop-2-enoate,CC(C)COC(=O)C(=C)C#N,"InChI=1S/C8H11NO2/c1-6(2)5-11-8(10)7(3)4-9/h6H,3,5H2,1-2H3",QRWOVIRDHQJFDB-UHFFFAOYSA-N,C8H11NO2,153.18,153.0789786,2.2,50.1,209,0,0,3,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5,9-UNDECATRIEN-2-ONE, 3,6,10-TRIMETHYL-",001117-41-5,6436890,"(3E,5E)-3,6,10-trimethylundeca-3,5,9-trien-2-one",CC(=CCC/C(=C/C=C(\C)/C(=O)C)/C)C,"InChI=1S/C14H22O/c1-11(2)7-6-8-12(3)9-10-13(4)14(5)15/h7,9-10H,6,8H2,1-5H3/b12-9+,13-10+",PRMAVUPVLGOONQ-JOWSBRCASA-N,C14H22O,206.32,206.1670653,4.3,17.1,299,0,0,1,5,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"BUTANOIC ACID, 3-METHYL-, 1-ETHENYL-1,5-DIMETHYL-4-HEXENYL ESTER",001118-27-0,240119,"3,7-dimethylocta-1,6-dien-3-yl 3-methylbutanoate",CC(C)CC(=O)OC(C)(CCC=C(C)C)C=C,"InChI=1S/C15H26O2/c1-7-15(6,10-8-9-12(2)3)17-14(16)11-13(4)5/h7,9,13H,1,8,10-11H2,2-6H3",WCDGWAIZRYMVOW-UHFFFAOYSA-N,C15H26O2,238.37,238.1932801,4.6,26.3,285,0,0,2,8,17,,188.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, EUROPIUM(3+) SALT",001184-63-0,164792,europium(3+) triacetate,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Eu+3],"InChI=1S/3C2H4O2.Eu/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",LNYNHRRKSYMFHF-UHFFFAOYSA-K,C6H9EuO6,329.1,329.96115,,120,25,0,0,6,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-METHYL-, 1,3-PROPANEDIYL ESTER",001188-09-6,70911,3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCCOC(=O)C(=C)C,"InChI=1S/C11H16O4/c1-8(2)10(12)14-6-5-7-15-11(13)9(3)4/h1,3,5-7H2,2,4H3",HTWRFCRQSLVESJ-UHFFFAOYSA-N,C11H16O4,212.24,212.104859,2.3,52.6,250,0,0,4,8,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"L-LEUCINE, N-ACETYL-",001188-21-2,70912,(2S)-2-acetamido-4-methylpentanoic acid,CC(C)C[C@@H](C(=O)O)NC(=O)C,"InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1",WXNXCEHXYPACJF-ZETCQYMHSA-N,C8H15NO3,173.21,173.1051933,0.5,66.4,177,0,2,3,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GOLD SULFIDE (AU2S3),001303-61-3,6451223,bis(gold(3+));trisulfide,[S-2].[S-2].[S-2].[Au+3].[Au+3],InChI=1S/2Au.3S/q2*+3;3*-2,WAUKTSZWNLNUDT-UHFFFAOYSA-N,Au2S3,490.1,489.84935,,3,0,0,0,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IRON HYDROXIDE (FE(OH)3),001309-33-7,73964,iron(3+) trihydroxide,[OH-].[OH-].[OH-].[Fe+3],InChI=1S/Fe.3H2O/h;3*1H2/q+3;;;/p-3,MSNWSDPPULHLDL-UHFFFAOYSA-K,FeH3O3,106.87,106.943154,,3,0,0,3,3,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, ISODECYL ESTER",001330-61-6,14899,8-methylnonyl prop-2-enoate,CC(C)CCCCCCCOC(=O)C=C,"InChI=1S/C13H24O2/c1-4-13(14)15-11-9-7-5-6-8-10-12(2)3/h4,12H,1,5-11H2,2-3H3",LVGFPWDANALGOY-UHFFFAOYSA-N,C13H24O2,212.33,212.17763,5.3,26.3,173,0,0,2,10,15,"240 °F (USCG, 1999)",158 °C @ 50 mm Hg,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"PHOSPHONIC ACID, [1,2-ETHANEDIYLBIS[NITRILOBIS (METHYLENE)]] TETRAKIS- (EDTMPA",001429-50-1,15025,[2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid,C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CP(=O)(O)O)CP(=O)(O)O,"InChI=1S/C6H20N2O12P4/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)",NFDRPXJGHKJRLJ-UHFFFAOYSA-N,C6H20N2O12P4,436.12,435.9966721,-11.2,237,486,0,8,14,11,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHINECARBOXYLIC ACID, DIETHOXY-, ETHYL ESTER, OXIDE",001474-78-8,65081,ethyl diethoxyphosphorylformate,CCOC(=O)P(=O)(OCC)OCC,"InChI=1S/C7H15O5P/c1-4-10-7(8)13(9,11-5-2)12-6-3/h4-6H2,1-3H3",NOJFJZZMRDSOLM-UHFFFAOYSA-N,C7H15O5P,210.16,210.0657106,0.8,61.8,193,0,0,5,7,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
2-[2-[(2-ETHYLHEXYL)OXY]ETHOXY]ETHANOL,001559-36-0,94210,2-[2-(2-ethylhexoxy)ethoxy]ethanol,CCCCC(CC)COCCOCCO,"InChI=1S/C12H26O3/c1-3-5-6-12(4-2)11-15-10-9-14-8-7-13/h12-13H,3-11H2,1-2H3",OADIZUFHUPTFAG-UHFFFAOYSA-N,C12H26O3,218.33,218.1881947,2.4,38.7,117,0,1,3,11,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"DISULFIDE, DIHEXADECYL",001561-75-7,73798,1-(hexadecyldisulfanyl)hexadecane,CCCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCC,"InChI=1S/C32H66S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3",GUBWMRCVCQFLOJ-UHFFFAOYSA-N,C32H66S2,515,514.4605945,16.4,50.6,299,0,0,2,31,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N,N-DIBUTYL-",001563-90-2,73811,"N,N-dibutylacetamide",CCCCN(CCCC)C(=O)C,"InChI=1S/C10H21NO/c1-4-6-8-11(10(3)12)9-7-5-2/h4-9H2,1-3H3",MEXKFCWMWJZDMF-UHFFFAOYSA-N,C10H21NO,171.28,171.1623143,2.2,20.3,115,0,0,1,6,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PROPANAMINIUM, 3-[[(HEPTADECAFLUOROOCTYL)SULFONYL]AMINO]-N,N,N-TRIMETHYL-, I",001652-63-7,84096,"3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)propyl-trimethylazanium iodide",C[N+](C)(C)CCCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[I-],"InChI=1S/C14H16F17N2O2S.HI/c1-33(2,3)6-4-5-32-36(34,35)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29;/h32H,4-6H2,1-3H3;1H/q+1;/p-1",MLIMEVJPZQAQQE-UHFFFAOYSA-M,C14H16F17IN2O2S,726.23,725.97058,,54.6,885,0,1,21,12,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-UNDECANOL,001653-30-1,15448,undecan-2-ol,CCCCCCCCCC(C)O,"InChI=1S/C11H24O/c1-3-4-5-6-7-8-9-10-11(2)12/h11-12H,3-10H2,1-2H3",XMUJIPOFTAHSOK-UHFFFAOYSA-N,C11H24O,172.31,172.1827154,4.5,20.2,81,0,1,1,8,12,,232.00 to 233.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-HEPTEN-1-OL, (Z)-",001708-81-2,5364517,(Z)-hept-3-en-1-ol,CCC/C=C\CCO,"InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h4-5,8H,2-3,6-7H2,1H3/b5-4-",SDZQUCJFTUULJX-PLNGDYQASA-N,C7H14O,114.19,114.1044651,1.9,20.2,57,0,1,1,4,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,11,13-TETRAAZATETRADECANEDIIMIDAMIDE, N,N'-BIS(2-ETHYLHEXYL)-3,12-DIIMINO",001715-30-6,102678,1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine;dihydrochloride,CCCCC(CC)CN=C(N)NC(=NCCCCCCN=C(N)NC(=NCC(CC)CCCC)N)N.Cl.Cl,"InChI=1S/C26H56N10.2ClH/c1-5-9-15-21(7-3)19-33-25(29)35-23(27)31-17-13-11-12-14-18-32-24(28)36-26(30)34-20-22(8-4)16-10-6-2;;/h21-22H,5-20H2,1-4H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36);2*1H",BRJJFBHTDVWTCJ-UHFFFAOYSA-N,C26H58Cl2N10,581.7,580.4222973,,178,601,0,8,4,23,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANOIC ACID, 2,3-DIBROMO-, METHYL ESTER",001729-67-5,95428,"methyl 2,3-dibromopropanoate",COC(=O)C(CBr)Br,"InChI=1S/C4H6Br2O2/c1-8-4(7)3(6)2-5/h3H,2H2,1H3",ROXQOUUAPQUMLN-UHFFFAOYSA-N,C4H6Br2O2,245.9,245.87141,1.7,26.3,84,0,0,2,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-METHYL-, 2-HYDROXY-1,3-PROPANEDIYL ESTER",001830-78-0,74594,[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate,CC(=C)C(=O)OCC(COC(=O)C(=C)C)O,"InChI=1S/C11H16O5/c1-7(2)10(13)15-5-9(12)6-16-11(14)8(3)4/h9,12H,1,3,5-6H2,2,4H3",OQHMGFSAURFQAF-UHFFFAOYSA-N,C11H16O5,228.24,228.0997736,1.5,72.8,275,0,1,5,8,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-OCTADECANAMINE, HYDROCHLORIDE",001838-08-0,519552,octadecan-1-amine;hydrochloride,CCCCCCCCCCCCCCCCCCN.Cl,"InChI=1S/C18H39N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h2-19H2,1H3;1H",RNYJXPUAFDFIQJ-UHFFFAOYSA-N,C18H40ClN,306,305.284928,,26,145,0,2,1,16,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"UREA, N,N'-1,2-ETHANEDIYLBIS-",001852-14-8,74614,2-(carbamoylamino)ethylurea,C(CNC(=O)N)NC(=O)N,"InChI=1S/C4H10N4O2/c5-3(9)7-1-2-8-4(6)10/h1-2H2,(H3,5,7,9)(H3,6,8,10)",ZUTJDJAXWKOOOI-UHFFFAOYSA-N,C4H10N4O2,146.15,146.0803756,-2.3,110,119,0,4,2,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanesulfonic acid, methyl ester",001912-28-3,15952,methyl ethanesulfonate,CCS(=O)(=O)OC,"InChI=1S/C3H8O3S/c1-3-7(4,5)6-2/h3H2,1-2H3",YLJRCXSSKLWCDE-UHFFFAOYSA-N,C3H8O3S,124.16,124.0194153,0,51.8,118,0,0,3,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanesulfonic acid, ethyl ester",001912-30-7,74704,ethyl ethanesulfonate,CCOS(=O)(=O)CC,"InChI=1S/C4H10O3S/c1-3-7-8(5,6)4-2/h3-4H2,1-2H3",PPCXFTKZPBHXIW-UHFFFAOYSA-N,C4H10O3S,138.19,138.0350654,0.4,51.8,130,0,0,3,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DECANENITRILE,001975-78-6,74791,decanenitrile,CCCCCCCCCC#N,"InChI=1S/C10H19N/c1-2-3-4-5-6-7-8-9-10-11/h2-9H2,1H3",HBZDPWBWBJMYRY-UHFFFAOYSA-N,C10H19N,153.26,153.1517496,3.7,23.8,109,0,0,1,7,11,,Boiling point equals 241°C,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 2-METHYL-, 2,2-DIMETHYL-1,3-PROPANEDIYL ESTER",001985-51-9,16135,"[2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate",CC(=C)C(=O)OCC(C)(C)COC(=O)C(=C)C,"InChI=1S/C13H20O4/c1-9(2)11(14)16-7-13(5,6)8-17-12(15)10(3)4/h1,3,7-8H2,2,4-6H3",ULQMPOIOSDXIGC-UHFFFAOYSA-N,C13H20O4,240.29,240.1361591,3.1,52.6,307,0,0,4,8,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NONANE, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-PENTADECAFLUORO-9-IODO-",002043-52-9,74884,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-iodononane",C(CI)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C9H4F15I/c10-3(11,1-2-25)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h1-2H2",QVTHRDRXTVTNEK-UHFFFAOYSA-N,C9H4F15I,524.01,523.91182,6.8,0,476,0,0,15,7,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEXANE, 1,1,1,2,2,3,3,4,4-NONAFLUORO-6-IODO-",002043-55-2,74887,"1,1,1,2,2,3,3,4,4-nonafluoro-6-iodohexane",C(CI)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C6H4F9I/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h1-2H2",CXHFIVFPHDGZIS-UHFFFAOYSA-N,C6H4F9I,373.99,373.9214,4.8,0,243,0,0,9,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANEDIOIC ACID, 2,3-DIACETYL-, DIETHYL ESTER",002049-86-7,95399,"diethyl 2,3-diacetylbutanedioate",CCOC(=O)C(C(C(=O)C)C(=O)OCC)C(=O)C,"InChI=1S/C12H18O6/c1-5-17-11(15)9(7(3)13)10(8(4)14)12(16)18-6-2/h9-10H,5-6H2,1-4H3",GJEDSIHWCPPJFN-UHFFFAOYSA-N,C12H18O6,258.27,258.1103383,0.5,86.7,312,0,0,6,9,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PENTANOIC ACID, 4-OXO-, BUTYL ESTER",002052-15-5,16331,butyl 4-oxopentanoate,CCCCOC(=O)CCC(=O)C,"InChI=1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3",ISBWNEKJSSLXOD-UHFFFAOYSA-N,C9H16O3,172.22,172.1099444,1,43.4,152,0,0,3,7,12,,106.00 to 108.00 °C. @ 5.50 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHOROUS ACID, TRIOCTADECYL ESTER",002082-80-6,248442,trioctadecyl phosphite,CCCCCCCCCCCCCCCCCCOP(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C54H111O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58(56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3",CNUJLMSKURPSHE-UHFFFAOYSA-N,C54H111O3P,839.4,838.8270844,26.6,27.7,599,0,0,3,54,58,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DICHLOROACETIC ACID, SODIUM SALT",002156-56-1,517326,"sodium 2,2-dichloroacetate",C(C(=O)[O-])(Cl)Cl.[Na+],"InChI=1S/C2H2Cl2O2.Na/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1",LUPNKHXLFSSUGS-UHFFFAOYSA-M,C2HCl2NaO2,150.92,149.9251289,,40.1,64,0,0,2,1,7,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DECANE, 1,10-DICHLORO-",002162-98-3,75101,"1,10-dichlorodecane",C(CCCCCCl)CCCCCl,InChI=1S/C10H20Cl2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2,RBBNTRDPSVZESY-UHFFFAOYSA-N,C10H20Cl2,211.17,210.094206,5,0,64,0,0,0,9,12,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"OCTANE, 1,8-DICHLORO-",002162-99-4,75102,"1,8-dichlorooctane",C(CCCCCl)CCCCl,InChI=1S/C8H16Cl2/c9-7-5-3-1-2-4-6-8-10/h1-8H2,WXYMNDFVLNUAIA-UHFFFAOYSA-N,C8H16Cl2,183.12,182.0629059,3.9,0,47,0,0,0,7,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SULFONIUM, TRIMETHYL-, IODIDE",002181-42-2,75127,trimethylsulfanium iodide,C[S+](C)C.[I-],InChI=1S/C3H9S.HI/c1-4(2)3;/h1-3H3;1H/q+1;/p-1,VFJYIHQDILEQNR-UHFFFAOYSA-M,C3H9IS,204.08,203.94697,,1,8,0,0,1,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-ORNITHINE, N2-[(1,1-DIMETHYLETHOXY)CARBONYL]-N5-[IMINO(NITROAMINO)METHYL]-",002188-18-3,75141,(2S)-5-[[amino(nitramido)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid,CC(C)(C)OC(=O)N[C@@H](CCCN=C(N)N[N+](=O)[O-])C(=O)O,"InChI=1S/C11H21N5O6/c1-11(2,3)22-10(19)14-7(8(17)18)5-4-6-13-9(12)15-16(20)21/h7H,4-6H2,1-3H3,(H,14,19)(H,17,18)(H3,12,13,15)/t7-/m0/s1",OZSSOVRIEPAIMP-ZETCQYMHSA-N,C11H21N5O6,319.31,319.1491834,0.3,172,439,0,4,7,9,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SULFURIC ACID, MONOHEXYL ESTER, SODIUM SALT",002207-98-9,23678858,sodium hexyl sulfate,CCCCCCOS(=O)(=O)[O-].[Na+],"InChI=1S/C6H14O4S.Na/c1-2-3-4-5-6-10-11(7,8)9;/h2-6H2,1H3,(H,7,8,9);/q;+1/p-1",WSVLUYNDHYCZGD-UHFFFAOYSA-M,C6H13NaO4S,204.22,204.0432244,,74.8,172,0,0,4,6,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEPTAFLUOROBUTANOIC ACID, SODIUM SALT",002218-54-4,23678859,"sodium 2,2,3,3,4,4,4-heptafluorobutanoate",C(=O)(C(C(C(F)(F)F)(F)F)(F)F)[O-].[Na+],"InChI=1S/C4HF7O2.Na/c5-2(6,1(12)13)3(7,8)4(9,10)11;/h(H,12,13);/q;+1/p-1",YSHHTXWLHYSYJP-UHFFFAOYSA-M,C4F7NaO2,236.02,235.9684207,,40.1,222,0,0,9,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANEDIOIC ACID, DIAMMONIUM SALT",002226-88-2,160625,diazanium;butanedioate,C(CC(=O)[O-])C(=O)[O-].[NH4+].[NH4+],"InChI=1S/C4H6O4.2H3N/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);2*1H3",NHJPVZLSLOHJDM-UHFFFAOYSA-N,C4H12N2O4,152.15,152.0797069,,82.3,81,0,2,4,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6-NONENAL, (Z)-",002277-19-2,5362720,(Z)-non-6-enal,CC/C=C\CCCCC=O,"InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,9H,2,5-8H2,1H3/b4-3-",RTNPCOBSXBGDMO-ARJAWSKDSA-N,C9H16O,140.22,140.1201151,2.3,17.1,94,0,0,1,6,10,,87.00 °C. @ 19.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANOIC ACID, 3-ETHOXY-3-IMINO-, ETHYL ESTER, HYDROCHLORIDE",002318-25-4,75345,ethyl 3-ethoxy-3-iminopropanoate;hydrochloride,CCOC(=N)CC(=O)OCC.Cl,"InChI=1S/C7H13NO3.ClH/c1-3-10-6(8)5-7(9)11-4-2;/h8H,3-5H2,1-2H3;1H",HYMXUYQKXCHWDC-UHFFFAOYSA-N,C7H14ClNO3,195.64,195.066221,,59.4,145,0,2,4,6,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANOIC ACID, 2-METHYL-, HEPTYL ESTER",002349-13-5,61304,heptyl 2-methylpropanoate,CCCCCCCOC(=O)C(C)C,"InChI=1S/C11H22O2/c1-4-5-6-7-8-9-13-11(12)10(2)3/h10H,4-9H2,1-3H3",RFDUMBPGZUIKOG-UHFFFAOYSA-N,C11H22O2,186.29,186.1619799,4,26.3,130,0,0,2,8,13,,212.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6-OCTENAL, 3,7-DIMETHYL-, (R)-",002385-77-5,75427,"(3R)-3,7-dimethyloct-6-enal",C[C@H](CCC=C(C)C)CC=O,"InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m1/s1",NEHNMFOYXAPHSD-SNVBAGLBSA-N,C10H18O,154.25,154.1357652,3,17.1,132,0,0,1,5,11,,207.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"METHANESULFONIC ACID, POTASSIUM SALT",002386-56-3,23666501,potassium methanesulfonate,CS(=O)(=O)[O-].[K+],"InChI=1S/CH4O3S.K/c1-5(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1",XWIJIXWOZCRYEL-UHFFFAOYSA-M,CH3KO3S,134.2,133.9439966,,65.6,96,0,0,3,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CARBAMODITHIOIC ACID, DIETHYL-, COMPD. WITH N,N-DIETHYLETHANAMINE (1:1)",002391-78-8,168957,"diethylcarbamodithioic acid;N,N-diethylethanamine",CCN(CC)CC.CCN(CC)C(=S)S,"InChI=1S/C6H15N.C5H11NS2/c1-4-7(5-2)6-3;1-3-6(4-2)5(7)8/h4-6H2,1-3H3;3-4H2,1-2H3,(H,7,8)",FMXKDAXGTICXRP-UHFFFAOYSA-N,C11H26N2S2,250.5,250.1537412,,39.6,104,0,1,3,5,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BUTENEDIOIC ACID (Z)-, MONOOCTADECYL ESTER",002424-62-6,6436905,(Z)-4-octadecoxy-4-oxobut-2-enoic acid,CCCCCCCCCCCCCCCCCCOC(=O)/C=C\C(=O)O,"InChI=1S/C22H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24/h18-19H,2-17,20H2,1H3,(H,23,24)/b19-18-",MHQJUHSHQGQVTM-HNENSFHCSA-N,C22H40O4,368.5,368.2926598,8.6,63.6,363,0,1,4,20,26,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANETHIOIC ACID, 3-METHYL-, S-(1-METHYLPROPYL) ESTER",002432-91-9,102815,S-butan-2-yl 3-methylbutanethioate,CCC(C)SC(=O)CC(C)C,"InChI=1S/C9H18OS/c1-5-8(4)11-9(10)6-7(2)3/h7-8H,5-6H2,1-4H3",MQAVHZCNCJTJJP-UHFFFAOYSA-N,C9H18OS,174.31,174.1078364,3.2,42.4,121,0,0,2,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-UNDECENAL,002463-77-6,62447,undec-2-enal,CCCCCCCCC=CC=O,"InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3",PANBRUWVURLWGY-UHFFFAOYSA-N,C11H20O,168.28,168.1514153,4.2,17.1,116,0,0,1,8,12,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"NONANE, 1-CHLORO-",002473-01-0,17185,1-chlorononane,CCCCCCCCCCl,"InChI=1S/C9H19Cl/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3",RKAMCQVGHFRILV-UHFFFAOYSA-N,C9H19Cl,162.7,162.1175283,5.2,0,52,0,0,0,7,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-METHYL-, TRIDECYL ESTER",002495-25-2,17234,tridecyl 2-methylprop-2-enoate,CCCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1S/C17H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-17(18)16(2)3/h2,4-15H2,1,3H3",KEROTHRUZYBWCY-UHFFFAOYSA-N,C17H32O2,268.4,268.2402303,7.8,26.3,233,0,0,2,14,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
2-METHYL-2-PROPENOIC ACID HEXADECYL ESTER,002495-27-4,17235,hexadecyl 2-methylprop-2-enoate,CCCCCCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1S/C20H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19(2)3/h2,4-18H2,1,3H3",ZNAOFAIBVOMLPV-UHFFFAOYSA-N,C20H38O2,310.5,310.2871805,9.4,26.3,271,0,0,2,17,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"1-PENTANAMINIUM, N,N,N-TRIPENTYL-, IODIDE",002498-20-6,17248,tetrapentylazanium iodide,CCCCC[N+](CCCCC)(CCCCC)CCCCC.[I-],"InChI=1S/C20H44N.HI/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1",FBLZDUAOBOMSNZ-UHFFFAOYSA-M,C20H44IN,425.5,425.25185,,0,155,0,0,1,16,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANENITRILE, 3-(TRIMETHOXYSILYL)-",002526-62-7,75660,3-trimethoxysilylpropanenitrile,CO[Si](CCC#N)(OC)OC,"InChI=1S/C6H13NO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4,6H2,1-3H3",KVUMYOWDFZAGPN-UHFFFAOYSA-N,C6H13NO3Si,175.26,175.0664698,,51.5,141,0,0,4,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANOIC ACID, 2-NITRO-, ETHYL ESTER",002531-80-8,97978,ethyl 2-nitropropanoate,CCOC(=O)C(C)[N+](=O)[O-],"InChI=1S/C5H9NO4/c1-3-10-5(7)4(2)6(8)9/h4H,3H2,1-2H3",ZXBGJDZWJJFFQY-UHFFFAOYSA-N,C5H9NO4,147.13,147.0531578,0.9,72.1,139,0,0,4,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-METHYL-2-PROPENOIC ACID TETRADECYL ESTER,002549-53-3,17351,tetradecyl 2-methylprop-2-enoate,CCCCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1S/C18H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(2)3/h2,4-16H2,1,3H3",ATZHWSYYKQKSSY-UHFFFAOYSA-N,C18H34O2,282.5,282.2558803,8.3,26.3,246,0,0,2,15,20,,147-154 °C at 0.093 kPa,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"DECANOIC ACID, 2-BROMO-",002623-95-2,98310,2-bromodecanoic acid,CCCCCCCCC(C(=O)O)Br,"InChI=1S/C10H19BrO2/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9H,2-8H2,1H3,(H,12,13)",KNLOTZNPRIFUAR-UHFFFAOYSA-N,C10H19BrO2,251.16,250.05684,4.6,37.3,137,0,1,2,8,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PROPANAMINIUM, N,N,N-TRIMETHYL-, BROMIDE",002650-50-2,75853,trimethyl(propyl)azanium bromide,CCC[N+](C)(C)C.[Br-],"InChI=1S/C6H16N.BrH/c1-5-6-7(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1",FCGQIZKUTMUWDC-UHFFFAOYSA-M,C6H16BrN,182.1,181.04661,,0,42,0,0,1,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-BUTANAMINIUM, N,N,N-TRIMETHYL-, BROMIDE",002650-51-3,75854,butyl(trimethyl)azanium bromide,CCCC[N+](C)(C)C.[Br-],"InChI=1S/C7H18N.BrH/c1-5-6-7-8(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1",YGGIZRRNXQJOTI-UHFFFAOYSA-M,C7H18BrN,196.13,195.06226,,0,51,0,0,1,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PENTANOIC ACID, NONAFLUORO-, SODIUM SALT",002706-89-0,23678862,"sodium 2,2,3,3,4,4,5,5,5-nonafluoropentanoate",C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)[O-].[Na+],"InChI=1S/C5HF9O2.Na/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14;/h(H,15,16);/q;+1/p-1",UOOGXJXDGDKHDT-UHFFFAOYSA-M,C5F9NaO2,286.03,285.965227,,40.1,296,0,0,11,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SILANE, TRIETHOXYPENTYL-",002761-24-2,17695,triethoxy(pentyl)silane,CCCCC[Si](OCC)(OCC)OCC,"InChI=1S/C11H26O3Si/c1-5-9-10-11-15(12-6-2,13-7-3)14-8-4/h5-11H2,1-4H3",FHVAUDREWWXPRW-UHFFFAOYSA-N,C11H26O3Si,234.41,234.1651212,,27.7,125,0,0,3,10,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PENTADECANAL,002765-11-9,17697,pentadecanal,CCCCCCCCCCCCCCC=O,"InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h15H,2-14H2,1H3",XGQJZNCFDLXSIJ-UHFFFAOYSA-N,C15H30O,226.4,226.2296656,6.5,17.1,131,0,0,1,13,16,,284.00 to 286.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Guanidine, 1-amino-, hydrogen sulfate",002834-84-6,114832,2-aminoguanidine;sulfuric acid,C(=NN)(N)N.OS(=O)(=O)O,"InChI=1S/CH6N4.H2O4S/c2-1(3)5-4;1-5(2,3)4/h4H2,(H4,2,3,5);(H2,1,2,3,4)",XLONNWGCEFSFTN-UHFFFAOYSA-N,CH8N4O4S,172.17,172.0266259,,173,123,0,5,6,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
UNDECAFLUOROHEXANOIC ACID SODIUM SALT,002923-26-4,23678863,"sodium 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate",C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-].[Na+],"InChI=1S/C6HF11O2.Na/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17;/h(H,18,19);/q;+1/p-1",UIMRWXUIVFZGSD-UHFFFAOYSA-M,C6F11NaO2,336.03,335.9620333,,40.1,374,0,0,13,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BUTENEDIOIC ACID (Z)-, MONOMETHYL ESTER",003052-50-4,5354456,(Z)-4-methoxy-4-oxobut-2-enoic acid,COC(=O)/C=C\C(=O)O,"InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2-",NKHAVTQWNUWKEO-IHWYPQMZSA-N,C5H6O4,130.1,130.0266087,0.4,63.6,147,0,1,4,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHOROUS ACID, TRIDODECYL ESTER",003076-63-9,76495,tridodecyl phosphite,CCCCCCCCCCCCOP(OCCCCCCCCCCCC)OCCCCCCCCCCCC,"InChI=1S/C36H75O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40(38-35-32-29-26-23-20-17-14-11-8-5-2)39-36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3",IVIIAEVMQHEPAY-UHFFFAOYSA-N,C36H75O3P,587,586.5453833,16.8,27.7,372,0,0,3,36,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OCTANAMIDE, N,N-BIS(2-HYDROXYETHYL)-",003077-30-3,76499,"N,N-bis(2-hydroxyethyl)octanamide",CCCCCCCC(=O)N(CCO)CCO,"InChI=1S/C12H25NO3/c1-2-3-4-5-6-7-12(16)13(8-10-14)9-11-15/h14-15H,2-11H2,1H3",FZQAYFWUOCXLKJ-UHFFFAOYSA-N,C12H25NO3,231.33,231.1834437,1.3,60.8,168,0,2,3,10,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DECANE, 1-(METHYLSULFINYL)-",003079-28-5,65111,1-methylsulfinyldecane,CCCCCCCCCCS(=O)C,"InChI=1S/C11H24OS/c1-3-4-5-6-7-8-9-10-11-13(2)12/h3-11H2,1-2H3",NZJXADCEESMBPW-UHFFFAOYSA-N,C11H24OS,204.37,204.1547866,3.8,36.3,123,0,0,2,9,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SULFONIUM, TRIMETHYL-, BROMIDE",003084-53-5,2735154,trimethylsulfanium bromide,C[S+](C)C.[Br-],InChI=1S/C3H9S.BrH/c1-4(2)3;/h1-3H3;1H/q+1;/p-1,GOTIICCWNAPLMN-UHFFFAOYSA-M,C3H9BrS,157.08,155.96083,,1,8,0,0,1,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BUTENEDIOIC ACID (Z)-, BIS[3-(TRIMETHOXYSILYL)PROPYL] ESTER",003090-21-9,6436333,bis(3-trimethoxysilylpropyl) (Z)-but-2-enedioate,CO[Si](CCCOC(=O)/C=C\C(=O)OCCC[Si](OC)(OC)OC)(OC)OC,"InChI=1S/C16H32O10Si2/c1-19-27(20-2,21-3)13-7-11-25-15(17)9-10-16(18)26-12-8-14-28(22-4,23-5)24-6/h9-10H,7-8,11-14H2,1-6H3/b10-9-",GPWPWELMLCKXRP-KTKRTIGZSA-N,C16H32O10Si2,440.59,440.1534003,,108,420,0,0,10,18,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEXANOIC ACID, 5-OXO-",003128-06-1,18407,5-oxohexanoic acid,CC(=O)CCCC(=O)O,"InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)",MGTZCLMLSSAXLD-UHFFFAOYSA-N,C6H10O3,130.14,130.0629942,-0.3,54.4,117,0,1,3,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANE, 1,1,1,2,3,3-HEXAFLUORO-2-(HEPTAFLUOROPROPOXY)-3-[1,2,2-TRIFLUORO-2-(1",003330-16-3,102983,"1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane",C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F,"InChI=1S/C11HF23O3/c12-1(2(13,14)15)35-10(31,32)4(18,7(23,24)25)37-11(33,34)5(19,8(26,27)28)36-9(29,30)3(16,17)6(20,21)22/h1H",QRLOKTBZZPZAMX-UHFFFAOYSA-N,C11HF23O3,618.09,617.9558416,8.4,27.7,790,0,0,26,9,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HYDROXYLAMINE, O-ETHYL-, HYDROCHLORIDE",003332-29-4,76850,O-ethylhydroxylamine;hydrochloride,CCON.Cl,"InChI=1S/C2H7NO.ClH/c1-2-4-3;/h2-3H2,1H3;1H",NUXCOKIYARRTDC-UHFFFAOYSA-N,C2H8ClNO,97.54,97.0294416,,35.3,10,0,2,2,1,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANIMIDAMIDE, MONOACETATE",003473-63-0,160693,acetic acid;methanimidamide,CC(=O)O.C(=N)N,"InChI=1S/C2H4O2.CH4N2/c1-2(3)4;2-1-3/h1H3,(H,3,4);1H,(H3,2,3)",XPOLVIIHTDKJRY-UHFFFAOYSA-N,C3H8N2O2,104.11,104.0585775,,87.2,41,0,3,3,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"1,3-PROPANEDIOL, 2-METHYLENE-",003513-81-3,77048,"2-methylidenepropane-1,3-diol",C=C(CO)CO,"InChI=1S/C4H8O2/c1-4(2-5)3-6/h5-6H,1-3H2",JFFYKITVXPZLQS-UHFFFAOYSA-N,C4H8O2,88.11,88.05242949,-0.4,40.5,43,0,2,2,2,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,1,1,5,5,5-HEXAMETHYL-3,3-BIS[(TRIMETHYLSILYL)OXY]TRISILOXANE",003555-47-3,19086,tetrakis(trimethylsilyl) silicate,C[Si](C)(C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,"InChI=1S/C12H36O4Si5/c1-17(2,3)13-21(14-18(4,5)6,15-19(7,8)9)16-20(10,11)12/h1-12H3",VNRWTCZXQWOWIG-UHFFFAOYSA-N,C12H36O4Si5,384.84,384.1459923,,36.9,266,0,0,4,8,21,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"STANNANE, TETRAOCTYL-",003590-84-9,77145,tetraoctylstannane,CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)CCCCCCCC,"InChI=1S/4C8H17.Sn/c4*1-3-5-7-8-6-4-2;/h4*1,3-8H2,2H3;",JTGNPNLBCGBCMP-UHFFFAOYSA-N,C32H68Sn,571.6,572.434305,,0,281,0,0,0,28,33,,,1,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,1,1,1
"TRISULFIDE, DIETHYL",003600-24-6,77151,(ethyltrisulfanyl)ethane,CCSSSCC,"InChI=1S/C4H10S3/c1-3-5-7-6-4-2/h3-4H2,1-2H3",OPMRTBDRQRSNDN-UHFFFAOYSA-N,C4H10S3,154.3,153.9944638,2.1,75.9,26,0,0,3,4,7,,217.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PROPANAMINIUM, N-(2-HYDROXYETHYL)-N,N-DIMETHYL-3-[(1-OXOOCTADECYL)AMINO]-, P",003758-54-1,19573,dihydrogen phosphate;2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium,CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO.OP(=O)(O)[O-],"InChI=1S/C25H52N2O2.H3O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(29)26-21-19-22-27(2,3)23-24-28;1-5(2,3)4/h28H,4-24H2,1-3H3;(H3,1,2,3,4)",CDWDDCFBDRKNLE-UHFFFAOYSA-N,C25H55N2O6P,510.7,510.3797745,,130,409,0,4,6,22,34,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
2-NONENOIC ACID,003760-11-0,97730,non-2-enoic acid,CCCCCCC=CC(=O)O,"InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)",ADLXTJMPCFOTOO-UHFFFAOYSA-N,C9H16O2,156.22,156.1150297,3.2,37.3,128,0,1,2,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-BUTANAMINE, HYDROCHLORIDE",003858-78-4,6432400,butan-1-amine;hydrochloride,CCCCN.Cl,"InChI=1S/C4H11N.ClH/c1-2-3-4-5;/h2-5H2,1H3;1H",ICXXXLGATNSZAV-UHFFFAOYSA-N,C4H12ClN,109.6,109.0658271,,26,13,0,2,1,2,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANOIC ACID, 3-METHYL-, 3,7-DIMETHYL-2,6-OCTADIENYL ESTER, (Z)-",003915-83-1,6429039,"[(2Z)-3,7-dimethylocta-2,6-dienyl] 3-methylbutanoate",CC(C)CC(=O)OC/C=C(/C)\CCC=C(C)C,"InChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9-",SOUKTGNMIRUIQN-ZROIWOOFSA-N,C15H26O2,238.37,238.1932801,4.7,26.3,281,0,0,2,8,17,,145.00 °C. @ 15.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHINE SULFIDE, TRIS(2-METHYLPROPYL)-",003982-87-4,99410,tris(2-methylpropyl)-sulfanylidene-lambda5-phosphane,CC(C)CP(=S)(CC(C)C)CC(C)C,"InChI=1S/C12H27PS/c1-10(2)7-13(14,8-11(3)4)9-12(5)6/h10-12H,7-9H2,1-6H3",MXRLZCWBOJMFJG-UHFFFAOYSA-N,C12H27PS,234.38,234.157109,5.1,32.1,161,0,0,1,6,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"TETRADECANOIC ACID, 2-SULFO-, 1-METHYL ESTER, SODIUM SALT",004016-22-2,23691032,sodium 1-methoxy-1-oxotetradecane-2-sulfonate,CCCCCCCCCCCCC(C(=O)OC)S(=O)(=O)[O-].[Na+],"InChI=1S/C15H30O5S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14(15(16)20-2)21(17,18)19;/h14H,3-13H2,1-2H3,(H,17,18,19);/q;+1/p-1",NPNCUQAIXIQSKQ-UHFFFAOYSA-M,C15H29NaO5S,344.4,344.1633395,,91.9,365,0,0,5,14,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"OCTADECANOIC ACID, HYDRAZIDE",004130-54-5,20088,octadecanehydrazide,CCCCCCCCCCCCCCCCCC(=O)NN,"InChI=1S/C18H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)20-19/h2-17,19H2,1H3,(H,20,21)",BYTFESSQUGDMQQ-UHFFFAOYSA-N,C18H38N2O,298.5,298.2984138,6.4,55.1,219,0,2,2,16,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NONANE, 1-IODO-",004282-42-2,20275,1-iodononane,CCCCCCCCCI,"InChI=1S/C9H19I/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3",OGSJMFCWOUHXHN-UHFFFAOYSA-N,C9H19I,254.15,254.05315,5.8,0,52,0,0,0,7,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"UNDECANE, 1-IODO-",004282-44-4,20276,1-iodoundecane,CCCCCCCCCCCI,"InChI=1S/C11H23I/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3",FKUQOQPBCHJHAP-UHFFFAOYSA-N,C11H23I,282.2,282.08445,6.9,0,71,0,0,0,9,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-OCTADIENE, 1-CHLORO-3,7-DIMETHYL-",004490-10-2,6372219,"(2E)-1-chloro-3,7-dimethylocta-2,6-diene",CC(=CCC/C(=C/CCl)/C)C,"InChI=1S/C10H17Cl/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3/b10-7+",WLAUCMCTKPXDIY-JXMROGBWSA-N,C10H17Cl,172.69,172.1018782,4.2,0,150,0,0,0,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SILANE, DIAZIDODIMETHYL-",004774-73-6,78506,diazido(dimethyl)silane,C[Si](C)(N=[N+]=[N-])N=[N+]=[N-],"InChI=1S/C2H6N6Si/c1-9(2,7-5-3)8-6-4/h1-2H3",QYNWVPNBQDQHJF-UHFFFAOYSA-N,C2H6N6Si,142.2,142.0423208,,28.7,163,0,0,4,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, OCTADECYL ESTER",004813-57-4,62552,octadecyl prop-2-enoate,CCCCCCCCCCCCCCCCCCOC(=O)C=C,"InChI=1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2/h4H,2-3,5-20H2,1H3",FSAJWMJJORKPKS-UHFFFAOYSA-N,C21H40O2,324.5,324.3028305,9.4,26.3,261,0,0,2,19,23,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
2-DODECENAL,004826-62-4,5283361,(E)-dodec-2-enal,CCCCCCCCC/C=C/C=O,"InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-12H,2-9H2,1H3/b11-10+",SSNZFFBDIMUILS-ZHACJKMWSA-N,C12H22O,182.3,182.1670653,4.8,17.1,127,0,0,1,9,13,,73.00 to 74.00 °C. @ 0.50 mm Hg,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"TETRADECANEDIOIC ACID, DIMETHYL ESTER",005024-21-5,78727,dimethyl tetradecanedioate,COC(=O)CCCCCCCCCCCCC(=O)OC,"InChI=1S/C16H30O4/c1-19-15(17)13-11-9-7-5-3-4-6-8-10-12-14-16(18)20-2/h3-14H2,1-2H3",ZDJFDFNNEAPGOP-UHFFFAOYSA-N,C16H30O4,286.41,286.2144094,5.2,52.6,225,0,0,4,15,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CARBONIC ACID, DYSPROSIUM(3+) SALT (3:2)",005066-34-2,165282,bis(dysprosium(3+));tricarbonate,C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].[Dy+3].[Dy+3],"InChI=1S/3CH2O3.2Dy/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6",QGXMZGYYAAPYRV-UHFFFAOYSA-H,C3Dy2O9,505.03,505.81022,,190,18,0,0,9,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, COMPD. WITH N,N-DIETHYLETHANAMINE (1:1)",005204-74-0,165295,"acetic acid;N,N-diethylethanamine",CCN(CC)CC.CC(=O)O,"InChI=1S/C6H15N.C2H4O2/c1-4-7(5-2)6-3;1-2(3)4/h4-6H2,1-3H3;1H3,(H,3,4)",AVBGNFCMKJOFIN-UHFFFAOYSA-N,C8H19NO2,161.24,161.1415788,,40.5,56,0,1,3,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OCTANOIC ACID, ZIRCONIUM(4+) SALT",005206-47-3,6452564,tetrakis(octanoate);zirconium(4+),CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Zr+4],"InChI=1S/4C8H16O2.Zr/c4*1-2-3-4-5-6-7-8(9)10;/h4*2-7H2,1H3,(H,9,10);/q;;;;+4/p-4",BPYXFMVJXTUYRV-UHFFFAOYSA-J,C32H60O8Zr,664,662.333518,,161,83,0,0,8,20,41,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,2-ETHANEDISULFONIC ACID, DISODIUM SALT",005325-43-9,79220,"disodium;ethane-1,2-disulfonate",C(CS(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C2H6O6S2.2Na/c3-9(4,5)1-2-10(6,7)8;;/h1-2H2,(H,3,4,5)(H,6,7,8);;/q;2*+1/p-2",BJTHMUJCKBTCFR-UHFFFAOYSA-L,C2H4Na2O6S2,234.16,233.9244688,,131,212,0,0,6,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-OCTANOL, 3-METHYL-",005340-36-3,21432,3-methyloctan-3-ol,CCCCCC(C)(CC)O,"InChI=1S/C9H20O/c1-4-6-7-8-9(3,10)5-2/h10H,4-8H2,1-3H3",JEWXYDDSLPIBBO-UHFFFAOYSA-N,C9H20O,144.25,144.1514153,3,20.2,80,0,1,1,5,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TRISILOXANE, 3-ETHENYL-1,1,1,5,5,5-HEXAMETHYL-3-[(TRIMETHYLSILYL)OXY]-",005356-84-3,79316,ethenyl-tris(trimethylsilyloxy)silane,C[Si](C)(C)O[Si](C=C)(O[Si](C)(C)C)O[Si](C)(C)C,"InChI=1S/C11H30O3Si4/c1-11-18(12-15(2,3)4,13-16(5,6)7)14-17(8,9)10/h11H,1H2,2-10H3",CHEFFAKKAFRMHG-UHFFFAOYSA-N,C11H30O3Si4,322.69,322.127201,,27.7,245,0,0,3,7,18,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NONANONE, 5-ETHYL-",005440-89-1,95561,5-ethylnonan-2-one,CCCCC(CC)CCC(=O)C,"InChI=1S/C11H22O/c1-4-6-7-11(5-2)9-8-10(3)12/h11H,4-9H2,1-3H3",BUGODZVINXTXEH-UHFFFAOYSA-N,C11H22O,170.29,170.1670653,3.7,17.1,118,0,0,1,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CARBAMIMIDOTHIOIC ACID, 1,3-PROPANEDIYL ESTER, DIHYDROBROMIDE",005442-32-0,79511,3-carbamimidoylsulfanylpropyl carbamimidothioate;dihydrobromide,C(CSC(=N)N)CSC(=N)N.Br.Br,"InChI=1S/C5H12N4S2.2BrH/c6-4(7)10-2-1-3-11-5(8)9;;/h1-3H2,(H3,6,7)(H3,8,9);2*1H",VKQIPFNBHQJEQV-UHFFFAOYSA-N,C5H14Br2N4S2,354.1,353.90061,,150,131,0,6,4,6,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEPTANOIC ACID, BUTYL ESTER",005454-28-4,21596,butyl heptanoate,CCCCCCC(=O)OCCCC,"InChI=1S/C11H22O2/c1-3-5-7-8-9-11(12)13-10-6-4-2/h3-10H2,1-2H3",YPQSPODHFDGVAC-UHFFFAOYSA-N,C11H22O2,186.29,186.1619799,3.8,26.3,121,0,0,2,9,13,,226.20 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-METHYL-, HEPTYL ESTER",005459-37-0,79568,heptyl 2-methylprop-2-enoate,CCCCCCCOC(=O)C(=C)C,"InChI=1S/C11H20O2/c1-4-5-6-7-8-9-13-11(12)10(2)3/h2,4-9H2,1,3H3",MDNFYIAABKQDML-UHFFFAOYSA-N,C11H20O2,184.27,184.1463299,4.5,26.3,161,0,0,2,8,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANOIC ACID, 3-MERCAPTO-, ETHYL ESTER",005466-06-8,21625,ethyl 3-sulfanylpropanoate,CCOC(=O)CCS,"InChI=1S/C5H10O2S/c1-2-7-5(6)3-4-8/h8H,2-4H2,1H3",CJQWLNNCQIHKHP-UHFFFAOYSA-N,C5H10O2S,134.2,134.0401507,0.7,27.3,72,0,1,3,4,8,,75.00 to 76.00 °C. @ 10.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9-OCTADECENAMIDE, N,N-DIBUTYL-, (Z)-",005831-80-1,6436342,"(Z)-N,N-dibutyloctadec-9-enamide",CCCCCCCC/C=C\CCCCCCCC(=O)N(CCCC)CCCC,"InChI=1S/C26H51NO/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)27(24-8-5-2)25-9-6-3/h15-16H,4-14,17-25H2,1-3H3/b16-15-",YMGHPIVBMBXPCR-NXVVXOECSA-N,C26H51NO,393.7,393.3970653,9.7,20.3,342,0,0,1,21,28,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, (DIMETHOXYPHOSPHINYL)-, METHYL ESTER",005927-18-4,80029,methyl 2-dimethoxyphosphorylacetate,COC(=O)CP(=O)(OC)OC,"InChI=1S/C5H11O5P/c1-8-5(6)4-11(7,9-2)10-3/h4H2,1-3H3",SIGOIUCRXKUEIG-UHFFFAOYSA-N,C5H11O5P,182.11,182.0344104,-0.6,61.8,170,0,0,5,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DISULFIDE, BIS(1-METHYLPROPYL)",005943-30-6,94314,2-(butan-2-yldisulfanyl)butane,CCC(C)SSC(C)CC,"InChI=1S/C8H18S2/c1-5-7(3)9-10-8(4)6-2/h7-8H,5-6H2,1-4H3",QTWKINKGAHTPFJ-UHFFFAOYSA-N,C8H18S2,178.4,178.0849929,3.6,50.6,63,0,0,2,5,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6-OCTENAL, 3,7-DIMETHYL-, (S)-",005949-05-3,443157,"(3S)-3,7-dimethyloct-6-enal",C[C@@H](CCC=C(C)C)CC=O,"InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m0/s1",NEHNMFOYXAPHSD-JTQLQIEISA-N,C10H18O,154.25,154.1357652,3,17.1,132,0,0,1,5,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"2-PROPANOL, 1,3-BIS(DIMETHYLAMINO)-",005966-51-8,22263,"1,3-bis(dimethylamino)propan-2-ol",CN(C)CC(CN(C)C)O,"InChI=1S/C7H18N2O/c1-8(2)5-7(10)6-9(3)4/h7,10H,5-6H2,1-4H3",JGVZJRHAZOBPMW-UHFFFAOYSA-N,C7H18N2O,146.23,146.1419132,-0.3,26.7,73,0,1,3,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PROPANAMINE, N-METHYL-3-(TRIETHOXYSILYL)-",006044-50-4,80142,N-methyl-3-triethoxysilylpropan-1-amine,CCO[Si](CCCNC)(OCC)OCC,"InChI=1S/C10H25NO3Si/c1-5-12-15(13-6-2,14-7-3)10-8-9-11-4/h11H,5-10H2,1-4H3",DTPZJXALAREFEY-UHFFFAOYSA-N,C10H25NO3Si,235.4,235.1603702,,39.7,130,0,1,4,10,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-METHYL-, PENTADECYL ESTER",006140-74-5,80232,pentadecyl 2-methylprop-2-enoate,CCCCCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1S/C19H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-19(20)18(2)3/h2,4-17H2,1,3H3",YOTGRUGZMVCBLS-UHFFFAOYSA-N,C19H36O2,296.5,296.2715304,8.8,26.3,258,0,0,2,16,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"GLYCINE, N-(2-ETHOXY-2-OXOETHYL)-, ETHYL ESTER",006290-05-7,80502,ethyl 2-[(2-ethoxy-2-oxoethyl)amino]acetate,CCOC(=O)CNCC(=O)OCC,"InChI=1S/C8H15NO4/c1-3-12-7(10)5-9-6-8(11)13-4-2/h9H,3-6H2,1-2H3",LJDNMOCAQVXVKY-UHFFFAOYSA-N,C8H15NO4,189.21,189.100108,0.4,64.6,152,0,1,5,8,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PENTANOIC ACID, 2-METHYL-, BUTYL ESTER",006297-41-2,95539,butyl 2-methylpentanoate,CCCCOC(=O)C(C)CCC,"InChI=1S/C10H20O2/c1-4-6-8-12-10(11)9(3)7-5-2/h9H,4-8H2,1-3H3",FMVUGLMJUHFPSJ-UHFFFAOYSA-N,C10H20O2,172.26,172.1463299,3.3,26.3,121,0,0,2,7,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"SILICIC ACID (H4SIO4), TETRAPENTYL ESTER",006382-12-3,80798,tetrapentyl silicate,CCCCCO[Si](OCCCCC)(OCCCCC)OCCCCC,"InChI=1S/C20H44O4Si/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4/h5-20H2,1-4H3",KCTGOQZIKPDZNK-UHFFFAOYSA-N,C20H44O4Si,376.6,376.3008864,,36.9,211,0,0,4,20,25,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"NONANOIC ACID, PROPYL ESTER",006513-03-7,81006,propyl nonanoate,CCCCCCCCC(=O)OCCC,"InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-12(13)14-11-4-2/h3-11H2,1-2H3",HCMSDHYNNJTLRW-UHFFFAOYSA-N,C12H24O2,200.32,200.17763,4.5,26.3,132,0,0,2,10,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, chloride, (-)-",006645-46-1,656657,[(2R)-3-carboxy-2-hydroxypropyl]-trimethylazanium chloride,C[N+](C)(C)C[C@@H](CC(=O)O)O.[Cl-],"InChI=1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/t6-;/m1./s1",JXXCENBLGFBQJM-FYZOBXCZSA-N,C7H16ClNO3,197.66,197.0818711,,57.5,139,0,2,4,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-METHYL-, 1,10-DECANEDIYL ESTER",006701-13-9,81196,10-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCCCCCCCCCOC(=O)C(=C)C,"InChI=1S/C18H30O4/c1-15(2)17(19)21-13-11-9-7-5-6-8-10-12-14-22-18(20)16(3)4/h1,3,5-14H2,2,4H3",LRZPQLZONWIQOJ-UHFFFAOYSA-N,C18H30O4,310.4,310.2144094,5.5,52.6,335,0,0,4,15,22,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"ACETIC ACID, HYDROXY[(1-OXO-2-PROPENYL)AMINO]-",006737-24-2,92230,2-hydroxy-2-(prop-2-enoylamino)acetic acid,C=CC(=O)NC(C(=O)O)O,"InChI=1S/C5H7NO4/c1-2-3(7)6-4(8)5(9)10/h2,4,8H,1H2,(H,6,7)(H,9,10)",NEYTXADIGVEHQD-UHFFFAOYSA-N,C5H7NO4,145.11,145.0375077,-0.8,86.6,165,0,3,4,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-METHYL-, POTASSIUM SALT",006900-35-2,23667354,potassium 2-methylprop-2-enoate,CC(=C)C(=O)[O-].[K+],"InChI=1S/C4H6O2.K/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);/q;+1/p-1",LLLCSBYSPJHDJX-UHFFFAOYSA-M,C4H5KO2,124.18,123.9926609,,40.1,87,0,0,2,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEXANEDIOIC ACID, BIS(1-METHYLETHYL) ESTER",006938-94-9,23368,dipropan-2-yl hexanedioate,CC(C)OC(=O)CCCCC(=O)OC(C)C,"InChI=1S/C12H22O4/c1-9(2)15-11(13)7-5-6-8-12(14)16-10(3)4/h9-10H,5-8H2,1-4H3",ZDQWESQEGGJUCH-UHFFFAOYSA-N,C12H22O4,230.3,230.1518092,2.2,52.6,197,0,0,4,9,16,,251.00 to 253.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANENITRILE, 3-BUTOXY-",006959-71-3,23395,3-butoxypropanenitrile,CCCCOCCC#N,"InChI=1S/C7H13NO/c1-2-3-6-9-7-4-5-8/h2-4,6-7H2,1H3",AWVNJBFNHGQUQU-UHFFFAOYSA-N,C7H13NO,127.18,127.099714,1,33,92,0,0,2,5,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-DODECANAMINIUM, N,N-DIDODECYL-N-METHYL-, CHLORIDE",007173-54-8,81601,tridodecyl(methyl)azanium chloride,CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC.[Cl-],"InChI=1S/C37H78N.ClH/c1-5-8-11-14-17-20-23-26-29-32-35-38(4,36-33-30-27-24-21-18-15-12-9-6-2)37-34-31-28-25-22-19-16-13-10-7-3;/h5-37H2,1-4H3;1H/q+1;/p-1",SBHRWOBHKASWGU-UHFFFAOYSA-M,C37H78ClN,572.5,571.5822792,,0,357,0,0,1,33,39,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-CYANO-, 2-PROPENYL ESTER",007324-02-9,81757,prop-2-enyl 2-cyanoprop-2-enoate,C=CCOC(=O)C(=C)C#N,"InChI=1S/C7H7NO2/c1-3-4-10-7(9)6(2)5-8/h3H,1-2,4H2",ITCZEZQMUWEPQP-UHFFFAOYSA-N,C7H7NO2,137.14,137.0476785,1.3,50.1,209,0,0,3,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 2-METHYL-, 1,2,3-PROPANETRIYL ESTER",007401-88-9,81892,"2,3-bis(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate",CC(=C)C(=O)OCC(COC(=O)C(=C)C)OC(=O)C(=C)C,"InChI=1S/C15H20O6/c1-9(2)13(16)19-7-12(21-15(18)11(5)6)8-20-14(17)10(3)4/h12H,1,3,5,7-8H2,2,4,6H3",NEBBLNDVSSWJLL-UHFFFAOYSA-N,C15H20O6,296.31,296.1259884,2.9,78.9,445,0,0,6,11,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,5-PENTANEDISULFONIC ACID, 1,5-DIHYDROXY-, DISODIUM SALT",007420-89-5,110991,"disodium;1,5-dihydroxypentane-1,5-disulfonate",C(CC(O)S(=O)(=O)[O-])CC(O)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C5H12O8S2.2Na/c6-4(14(8,9)10)2-1-3-5(7)15(11,12)13;;/h4-7H,1-3H2,(H,8,9,10)(H,11,12,13);;/q;2*+1/p-2",YGZZDQOCTFVBFC-UHFFFAOYSA-L,C5H10Na2O8S2,308.2,307.9612482,,172,306,0,2,8,4,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"2,4-HEXADIENOIC ACID, 2-PROPENYL ESTER, (E,E)-",007493-75-6,6435833,"prop-2-enyl (2E,4E)-hexa-2,4-dienoate",C/C=C/C=C/C(=O)OCC=C,"InChI=1S/C9H12O2/c1-3-5-6-7-9(10)11-8-4-2/h3-7H,2,8H2,1H3/b5-3+,7-6+",CVNZYQJBZIJLCL-TWTPFVCWSA-N,C9H12O2,152.19,152.0837296,2.2,26.3,178,0,0,2,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BUTENEDIOIC ACID (Z)-, DIOCTADECYL ESTER",007516-70-3,5463501,dioctadecyl (Z)-but-2-enedioate,CCCCCCCCCCCCCCCCCCOC(=O)/C=C\C(=O)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C40H76O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-43-39(41)35-36-40(42)44-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-34,37-38H2,1-2H3/b36-35-",XHSDDKAGJYJAQM-KXYMVQBMSA-N,C40H76O4,621,620.5743609,17.9,52.6,562,0,0,4,38,44,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"L-ASPARAGINE, N2-[(1,1-DIMETHYLETHOXY)CARBONYL]-",007536-55-2,82035,(2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid,CC(C)(C)OC(=O)N[C@@H](CC(=O)N)C(=O)O,"InChI=1S/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(13)14)4-6(10)12/h5H,4H2,1-3H3,(H2,10,12)(H,11,15)(H,13,14)/t5-/m0/s1",FYYSQDHBALBGHX-YFKPBYRVSA-N,C9H16N2O5,232.23,232.1059216,-0.6,119,295,0,3,5,6,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PENTANOIC ACID, 3,7-DIMETHYL-6-OCTENYL ESTER",007540-53-6,61416,"3,7-dimethyloct-6-enyl pentanoate",CCCCC(=O)OCCC(C)CCC=C(C)C,"InChI=1S/C15H28O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,14H,5-7,9-12H2,1-4H3",PFOJEJPZUVQHEH-UHFFFAOYSA-N,C15H28O2,240.38,240.2089301,5.1,26.3,227,0,0,2,10,17,,237.00 to 240.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,16-HEXADECANEDIOL",007735-42-4,82184,"hexadecane-1,16-diol",C(CCCCCCCCO)CCCCCCCO,"InChI=1S/C16H34O2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h17-18H,1-16H2",GJBXIPOYHVMPQJ-UHFFFAOYSA-N,C16H34O2,258.44,258.2558803,5.7,40.5,121,0,2,2,15,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"DECANE, 1,1-DIMETHOXY-",007779-41-1,24513,"1,1-dimethoxydecane",CCCCCCCCCC(OC)OC,"InChI=1S/C12H26O2/c1-4-5-6-7-8-9-10-11-12(13-2)14-3/h12H,4-11H2,1-3H3",NCRNCSZWOOYBQF-UHFFFAOYSA-N,C12H26O2,202.33,202.1932801,4.6,18.5,100,0,0,2,10,14,,218.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANOIC ACID, 3-OXO-, 2-METHYLPROPYL ESTER",007779-75-1,522677,2-methylpropyl 3-oxobutanoate,CC(C)COC(=O)CC(=O)C,"InChI=1S/C8H14O3/c1-6(2)5-11-8(10)4-7(3)9/h6H,4-5H2,1-3H3",ZYXNLVMBIHVDRH-UHFFFAOYSA-N,C8H14O3,158.19,158.0942943,1.2,43.4,149,0,0,3,5,11,,196.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, AMMONIUM MAGNESIUM SALT (1:1:1)",007785-21-9,178727,azanium;magnesium;phosphate,[NH4+].[O-]P(=O)([O-])[O-].[Mg+2],"InChI=1S/Mg.H3N.H3O4P/c;;1-5(2,3)4/h;1H3;(H3,1,2,3,4)/q+2;;/p-2",MXZRMHIULZDAKC-UHFFFAOYSA-L,H4MgNO4P,137.32,136.9728363,,87.3,36,0,1,4,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OCTANAL, 2-METHYL-",007786-29-0,24583,2-methyloctanal,CCCCCCC(C)C=O,"InChI=1S/C9H18O/c1-3-4-5-6-7-9(2)8-10/h8-9H,3-7H2,1-2H3",ZKPFRIDJMMOODR-UHFFFAOYSA-N,C9H18O,142.24,142.1357652,3.3,17.1,78,0,0,1,6,10,,82.00 to 83.00 °C. @ 20.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
IRIDIUM BROMIDE (IRBR4),007789-64-2,14029372,tetrabromoiridium,Br[Ir](Br)(Br)Br,InChI=1S/4BrH.Ir/h4*1H;/q;;;;+4/p-4,IYWTUWKWQJIZPO-UHFFFAOYSA-J,Br4Ir,511.83,512.63218,,0,19,0,0,0,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PALLADIUM IODIDE (PDI2),007790-38-7,424947,diiodopalladium,[Pd](I)I,InChI=1S/2HI.Pd/h2*1H;/q;;+2/p-2,HNNUTDROYPGBMR-UHFFFAOYSA-L,I2Pd,360.23,359.71243,,0,2,0,0,0,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9-OCTADECENOIC ACID (Z)-, 2-METHYLPROPYL ESTER",010024-47-2,6436361,2-methylpropyl (Z)-octadec-9-enoate,CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C)C,"InChI=1S/C22H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23)24-20-21(2)3/h11-12,21H,4-10,13-20H2,1-3H3/b12-11-",GXJLQJFVFMCVHG-QXMHVHEDSA-N,C22H42O2,338.6,338.3184806,8.9,26.3,294,0,0,2,18,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NONYNOIC ACID, ETHYL ESTER",010031-92-2,61451,ethyl non-2-ynoate,CCCCCCC#CC(=O)OCC,"InChI=1S/C11H18O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-8H2,1-2H3",BFZNMUGAZYAMTG-UHFFFAOYSA-N,C11H18O2,182.26,182.1306798,4.1,26.3,195,0,0,2,6,13,,121.00 to 122.00 °C. @ 13.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IRIDIUM BROMIDE (IRBR3),010049-24-8,82324,tribromoiridium,Br[Ir](Br)Br,InChI=1S/3BrH.Ir/h3*1H;/q;;;+3/p-3,HTFVQFACYFEXPR-UHFFFAOYSA-K,Br3Ir,431.93,431.71589,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"13-DOCOSENAMIDE, N-OCTADECYL-, (Z)-",010094-45-8,6436363,(Z)-N-octadecyldocos-13-enamide,CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC/C=C\CCCCCCCC,"InChI=1S/C40H79NO/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(42)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-39H2,1-2H3,(H,41,42)/b19-17-",FUSNPOOETKRESL-ZPHPHTNESA-N,C40H79NO,590.1,589.6161661,18,29.1,528,0,1,1,36,42,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHOROTHIOIC ACID, TRISODIUM SALT",010101-88-9,9877537,trisodium;thiophosphate,[O-]P(=S)([O-])[O-].[Na+].[Na+].[Na+],"InChI=1S/3Na.H3O3PS/c;;;1-4(2,3)5/h;;;(H3,1,2,3,5)/q3*+1;/p-3",RIFYBBXGYKFBFC-UHFFFAOYSA-K,Na3O3PS,180.01,179.8998849,,101,53,0,0,4,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SULFURIC ACID, NEODYMIUM(3+) SALT (3:2)",010101-95-8,165814,bis(neodymium(3+));trisulfate,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Nd+3].[Nd+3],"InChI=1S/2Nd.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",OJSWEKSDNUORPG-UHFFFAOYSA-H,Nd2O12S3,576.7,573.67301,,266,62,0,0,12,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"THIOSULFURIC ACID (H2S2O3), MAGNESIUM SALT (1:1)",010124-53-5,160917,magnesium dioxido-oxo-sulfanylidene-lambda6-sulfane,[O-]S(=O)(=S)[O-].[Mg+2],"InChI=1S/Mg.H2O3S2/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",TZKHCTCLSRVZEY-UHFFFAOYSA-L,MgO3S2,136.44,135.9139279,,104,82,0,0,4,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SULFURIC ACID, CHROMIUM(3+) POTASSIUM SALT (2:1:1)",010141-00-1,61489,potassium;chromium(3+);disulfate,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[K+].[Cr+3],"InChI=1S/Cr.K.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4",OIDPCXKPHYRNKH-UHFFFAOYSA-J,CrKO8S2,283.22,282.80767,,177,62,0,0,8,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-HEPTANOL, 7-BROMO-",010160-24-4,66284,7-bromoheptan-1-ol,C(CCCO)CCCBr,"InChI=1S/C7H15BrO/c8-6-4-2-1-3-5-7-9/h9H,1-7H2",MMXRRNUXCHUHOE-UHFFFAOYSA-N,C7H15BrO,195.1,194.03063,2.3,20.2,48,0,1,1,6,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, POTASSIUM SALT",010192-85-5,4429391,potassium prop-2-enoate,C=CC(=O)[O-].[K+],"InChI=1S/C3H4O2.K/c1-2-3(4)5;/h2H,1H2,(H,4,5);/q;+1/p-1",ZUBIJGNKOJGGCI-UHFFFAOYSA-M,C3H3KO2,110.15,109.9770108,,40.1,59,0,0,2,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANENITRILE, 3-[(2-ETHYLHEXYL)OXY]-",010213-75-9,25053,3-(2-ethylhexoxy)propanenitrile,CCCCC(CC)COCCC#N,"InChI=1S/C11H21NO/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-7,9-10H2,1-2H3",HXBFULVLSKAGSQ-UHFFFAOYSA-N,C11H21NO,183.29,183.1623143,2.9,33,147,0,0,2,8,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OCTADECANOIC ACID, 2-[BIS(2-HYDROXYETHYL)AMINO]ETHYL ESTER",010248-74-5,87054,2-[bis(2-hydroxyethyl)amino]ethyl octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OCCN(CCO)CCO,"InChI=1S/C24H49NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)29-23-20-25(18-21-26)19-22-27/h26-27H,2-23H2,1H3",FVIMRJIDRHUTQP-UHFFFAOYSA-N,C24H49NO4,415.6,415.366159,7.2,70,333,0,2,5,24,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, CYANO-, 2-METHOXYETHYL ESTER",010258-54-5,25106,2-methoxyethyl 2-cyanoacetate,COCCOC(=O)CC#N,"InChI=1S/C6H9NO3/c1-9-4-5-10-6(8)2-3-7/h2,4-5H2,1H3",SGLKIEOMYXTGBH-UHFFFAOYSA-N,C6H9NO3,143.14,143.0582431,-0.1,59.3,146,0,0,4,5,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9-OCTADECENOIC ACID (Z)-, 2-[BIS(2-HYDROXYETHYL)AMINO]ETHYL ESTER",010277-04-0,6436365,2-[bis(2-hydroxyethyl)amino]ethyl (Z)-octadec-9-enoate,CCCCCCCC/C=C\CCCCCCCC(=O)OCCN(CCO)CCO,"InChI=1S/C24H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)29-23-20-25(18-21-26)19-22-27/h9-10,26-27H,2-8,11-23H2,1H3/b10-9-",FTJUZCBLWZLXFR-KTKRTIGZSA-N,C24H47NO4,413.6,413.350509,6.3,70,368,0,2,5,23,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"9-OCTADECENAMIDE, N-HYDROXY-, (Z)-",010335-69-0,6436367,(Z)-N-hydroxyoctadec-9-enamide,CCCCCCCC/C=C\CCCCCCCC(=O)NO,"InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19-21/h9-10,21H,2-8,11-17H2,1H3,(H,19,20)/b10-9-",LTXHELLMCCEDJG-KTKRTIGZSA-N,C18H35NO2,297.5,297.2667794,6.5,49.3,252,0,2,2,15,21,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-AMINO-, MONOESTER WITH BORIC ACID (H3BO3)",010377-81-8,82594,2-aminoethoxyboronic acid,B(O)(O)OCCN,"InChI=1S/C2H8BNO3/c4-1-2-7-3(5)6/h5-6H,1-2,4H2",JCAYXDKNUSEQRT-UHFFFAOYSA-N,C2H8BNO3,104.9,105.0597233,,75.7,41,0,3,4,3,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CUPRIC SULFATE, AMMONIATED",010380-29-7,61513,copper;azane;sulfate;hydrate,N.N.N.N.O.[O-]S(=O)(=O)[O-].[Cu+2],"InChI=1S/Cu.4H3N.H2O4S.H2O/c;;;;;1-5(2,3)4;/h;4*1H3;(H2,1,2,3,4);1H2/q+2;;;;;;/p-2",ABAHXVHZPFQSDZ-UHFFFAOYSA-L,CuH14N4O5S,245.75,244.998088,,93.6,62,0,5,9,0,11,,"Hydrate loses H 2 O and 2NH 3 at 120 and remaining 2NH 3 at 160 Decomposes at 150\'b0C. (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FERRIC NITRATE,010421-48-4,25251,iron(3+) trinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Fe+3],InChI=1S/Fe.3NO3/c;3*2-1(3)4/q+3;3*-1,VCJMYUPGQJHHFU-UHFFFAOYSA-N,FeN3O9,241.86,241.898389,,189,18,0,0,9,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, SAMARIUM(3+) SALT",010465-27-7,25297,samarium(3+) triacetate,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Sm+3],"InChI=1S/3C2H4O2.Sm/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",JPDBEEUPLFWHAJ-UHFFFAOYSA-K,C6H9O6Sm,327.5,328.95965,,120,25,0,0,6,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TETRADECANOIC ACID, 2-BROMO-",010520-81-7,66340,2-bromotetradecanoic acid,CCCCCCCCCCCCC(C(=O)O)Br,"InChI=1S/C14H27BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13H,2-12H2,1H3,(H,16,17)",GBBKJNDQLLKTCX-UHFFFAOYSA-N,C14H27BrO2,307.27,306.11944,6.7,37.3,183,0,1,2,12,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SILICIC ACID (H4SIO4), ALUMINUM SODIUM SALT (1:1:1)",012003-51-9,61537,aluminum;sodium;silicate,[O-][Si]([O-])([O-])[O-].[Na+].[Al+3],"InChI=1S/Al.Na.O4Si/c;;1-5(2,3)4/q+3;+1;-4",OKSRBEMKUSZPOX-UHFFFAOYSA-N,AlNaO4Si,142.05,141.9278927,,92.2,19,0,0,4,0,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ZIRCONIUM ALUMINUM,012004-83-0,159389,alumane;zirconium,[AlH3].[AlH3].[AlH3].[Zr],InChI=1S/3Al.Zr.9H,AIAICXHQAYJBKK-UHFFFAOYSA-N,Al3H9Zr,181.24,179.919739,,0,0,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DODECABORATE(2-), DODECAHYDRO-, DISODIUM",012008-78-5,123133415,borate,B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-],InChI=1S/12BO3/c12*2-1(3)4/q12*-3,TVBISCWBJBKUDP-UHFFFAOYSA-N,B12O36-36,705.7,705.935852,,830,8,-36,0,36,0,48,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PLATINATE(1-), TRICHLORO(.ETA.2-ETHENE)-, POTASSIUM",012012-50-9,197135,potassium;ethene;platinum(2+);trichloride,C=C.[Cl-].[Cl-].[Cl-].[K+].[Pt+2],InChI=1S/C2H4.3ClH.K.Pt/c1-2;;;;;/h1-2H2;3*1H;;/q;;;;+1;+2/p-3,OCUWJUARCXXPTH-UHFFFAOYSA-K,C2H4Cl3KPt,368.6,366.866359,,0,0,0,0,3,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
STRONTIUM NITRIDE (SR3N2),012033-82-8,92028826,strontium azanidylidenestrontium,[N-]=[Sr].[N-]=[Sr].[Sr+2],InChI=1S/2N.3Sr/q2*-1;;;+2,ITBUYAOHGLSIJY-UHFFFAOYSA-N,N2Sr3,290.9,291.7229848,,2,6,0,0,2,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TANTALUM PHOSPHIDE (TAP),012037-63-7,82854,phosphanylidynetantalum,P#[Ta],InChI=1S/P.Ta,AUOAQYMBESBNJR-UHFFFAOYSA-N,PTa,211.9216,211.92176,,0,10,0,0,0,0,2,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-BUTANAMINE, N-BUTYL-, TETRAFLUOROBORATE(1-)",012107-76-5,25510,dibutylazanium tetrafluoroborate,[B-](F)(F)(F)F.CCCC[NH2+]CCCC,"InChI=1S/C8H19N.BF4/c1-3-5-7-9-8-6-4-2;2-1(3,4)5/h9H,3-8H2,1-2H3;/q;-1/p+1",CAZKFGXFAVXKIF-UHFFFAOYSA-O,C8H20BF4N,217.06,217.1624925,,16.6,57,0,1,5,6,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PALLADIUM SULFIDE (PDS),012125-22-3,82926,sulfanylidenepalladium,S=[Pd],InChI=1S/Pd.S,NRUVOKMCGYWODZ-UHFFFAOYSA-N,PdS,138.49,137.87555,,32.1,2,0,0,1,0,2,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
STRONTIUM TIN OXIDE (SRSNO3),012143-34-9,82944,strontium dioxido(oxo)tin,[O-][Sn](=O)[O-].[Sr+2],InChI=1S/3O.Sn.Sr/q;2*-1;;+2,HEMRNJFVXQXUPK-UHFFFAOYSA-N,O3SnSr,254.33,255.792559,,63.2,18,0,0,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TITANATE (TIO32-), DICESIUM",012158-57-5,166634,dicesium;tris(oxygen(2-));titanium(4+),[O-2].[O-2].[O-2].[Ti+4].[Cs+].[Cs+],InChI=1S/2Cs.3O.Ti/q2*+1;3*-2;+4,UKGZHELIUYCPTO-UHFFFAOYSA-N,Cs2O3Ti,361.676,361.7435885,,3,0,0,0,3,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GADOLINIUM TELLURIDE (GD2TE3),012160-99-5,6336990,,[Te].[Te].[Te].[Gd].[Gd],InChI=1S/2Gd.3Te,XALRLIVCVHDVGE-UHFFFAOYSA-N,Gd2Te3,697.3,705.56808,,0,0,0,0,0,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
RUTHENIUM SULFIDE (RUS2),012166-20-0,82958,bis(sulfanylidene)ruthenium,S=[Ru]=S,InChI=1S/Ru.2S,XNQLQKWNBPVVGB-UHFFFAOYSA-N,RuS2,165.2,165.848483,,64.2,18,0,0,2,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CUPRATE(3-), [N,N-BIS[2-[BIS(CARBOXYMETHYL)AMINO]ETHYL]GLYCINATO(5-)]-, TRISOD",012189-76-3,82965,copper;trisodium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate,C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Cu+2],"InChI=1S/C14H23N3O10.Cu.3Na/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;/q;+2;3*+1/p-5",HCTYKKYNCVSXEC-UHFFFAOYSA-I,C14H18CuN3Na3O10,520.82,519.998124,,210,454,0,0,13,11,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, (ethylenedinitrilo)tetra-, calcium (II) complex",012264-18-5,25544,calcium 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate,C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Ca+2],"InChI=1S/C10H16N2O8.Ca/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);/q;+2/p-2",NVTRPRFAWJGJAJ-UHFFFAOYSA-L,C10H14CaN2O8,330.3,330.0376063,,161,336,0,2,10,9,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"D-GLYCERO-D-GULO-HEPTONIC ACID, MONOSODIUM SALT",013007-85-7,23664054,"sodium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate",C([C@H]([C@H]([C@@H]([C@H]([C@H](C(=O)[O-])O)O)O)O)O)O.[Na+],"InChI=1S/C7H14O8.Na/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/q;+1/p-1/t2-,3-,4+,5-,6-;/m1./s1",FMYOMWCQJXWGEN-WYRLRVFGSA-M,C7H13NaO8,248.16,248.0508117,,162,213,0,6,8,6,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANAMIDE, 2-HYDROXY-2-METHYL-",013027-88-8,83059,2-hydroxy-2-methylpropanamide,CC(C)(C(=O)N)O,"InChI=1S/C4H9NO2/c1-4(2,7)3(5)6/h7H,1-2H3,(H2,5,6)",DRYMMXUBDRJPDS-UHFFFAOYSA-N,C4H9NO2,103.12,103.0633285,-0.9,63.3,87,0,2,2,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"GLYCINE, BUTYL ESTER, HYDROCHLORIDE",013048-99-2,83080,butyl 2-aminoacetate;hydrochloride,CCCCOC(=O)CN.Cl,"InChI=1S/C6H13NO2.ClH/c1-2-3-4-9-6(8)5-7;/h2-5,7H2,1H3;1H",ZPWHHLDCVYWJJO-UHFFFAOYSA-N,C6H14ClNO2,167.63,167.0713064,,52.3,83,0,2,3,5,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-ISOLEUCINE, N-[(1,1-DIMETHYLETHOXY)CARBONYL]-",013139-16-7,2724762,"(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid",CC[C@H](C)[C@@H](C(=O)O)NC(=O)OC(C)(C)C,"InChI=1S/C11H21NO4/c1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t7-,8-/m0/s1",QJCNLJWUIOIMMF-YUMQZZPRSA-N,C11H21NO4,231.29,231.1470582,1.6,75.6,257,0,2,4,6,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, HEXADECYL ESTER",013402-02-3,83410,hexadecyl prop-2-enoate,CCCCCCCCCCCCCCCCOC(=O)C=C,"InChI=1S/C19H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(20)4-2/h4H,2-3,5-18H2,1H3",PZDUWXKXFAIFOR-UHFFFAOYSA-N,C19H36O2,296.5,296.2715304,8.3,26.3,236,0,0,2,17,21,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"HYDRAZINECARBOTHIOAMIDE, N-ETHYL-",013431-34-0,1551780,1-amino-3-ethylthiourea,CCNC(=S)NN,"InChI=1S/C3H9N3S/c1-2-5-3(7)6-4/h2,4H2,1H3,(H2,5,6,7)",SKYYTGUCWARUCL-UHFFFAOYSA-N,C3H9N3S,119.19,119.0517185,-0.4,82.2,63,0,3,2,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TUNGSTATE (WO42-), STRONTIUM (1:1), (T-4)-",013451-05-3,6101760,strontium dioxido(dioxo)tungsten,[O-][W](=O)(=O)[O-].[Sr+2],InChI=1S/4O.Sr.W/q;;2*-1;+2;,KXELQHMRKFESFN-UHFFFAOYSA-N,O4SrW,335.46,335.836204,,80.3,62,0,0,4,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHACRYLIC ACID, 3,5,5-TRIMETHYLHEXYL ESTER",013453-03-7,114526,"3,5,5-trimethylhexyl 2-methylprop-2-enoate",CC(CCOC(=O)C(=C)C)CC(C)(C)C,"InChI=1S/C13H24O2/c1-10(2)12(14)15-8-7-11(3)9-13(4,5)6/h11H,1,7-9H2,2-6H3",BBPSWYWJFWHIHC-UHFFFAOYSA-N,C13H24O2,212.33,212.17763,5,26.3,223,0,0,2,7,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SULFURIC ACID, ERBIUM(3+) SALT (3:2)",013478-49-4,166829,bis(erbium(3+));trisulfate,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Er+3].[Er+3],"InChI=1S/2Er.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",SYDXSHCNMKOQFW-UHFFFAOYSA-H,Er2O12S3,622.7,621.717868,,266,62,0,0,12,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"UNDECANOIC ACID, 1,2,3-PROPANETRIYL ESTER",013552-80-2,83574,"2,3-di(undecanoyloxy)propyl undecanoate",CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCC,"InChI=1S/C36H68O6/c1-4-7-10-13-16-19-22-25-28-34(37)40-31-33(42-36(39)30-27-24-21-18-15-12-9-6-3)32-41-35(38)29-26-23-20-17-14-11-8-5-2/h33H,4-32H2,1-3H3",MBXVIRZWSHICAV-UHFFFAOYSA-N,C36H68O6,596.9,596.5015899,13.8,78.9,584,0,0,6,35,42,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANOIC ACID, 3-OXO-, HEXYL ESTER",013562-84-0,83577,hexyl 3-oxobutanoate,CCCCCCOC(=O)CC(=O)C,"InChI=1S/C10H18O3/c1-3-4-5-6-7-13-10(12)8-9(2)11/h3-8H2,1-2H3",QNZLAXONNWOLJY-UHFFFAOYSA-N,C10H18O3,186.25,186.1255944,2.2,43.4,164,0,0,3,8,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"SULFURIC ACID, SAMARIUM(3+) SALT (3:2)",013692-98-3,166884,bis(samarium(3+));trisulfate,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Sm+3].[Sm+3],"InChI=1S/3H2O4S.2Sm/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+3/p-6",LVSITDBROURTQX-UHFFFAOYSA-H,O12S3Sm2,588.9,593.69714,,266,62,0,0,12,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SULFURIC ACID, TERBIUM(3+) SALT (3:2)",013692-99-4,166885,bis(terbium(3+));trisulfate,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Tb+3].[Tb+3],"InChI=1S/3H2O4S.2Tb/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+3/p-6",UFPWIQQSPQSOKM-UHFFFAOYSA-H,O12S3Tb2,606,605.7059,,266,62,0,0,12,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SAMARIUM IODIDE (SMI3),013813-25-7,83746,triiodosamarium,I[Sm](I)I,InChI=1S/3HI.Sm/h3*1H;/q;;;+3/p-3,XQKBFQXWZCFNFF-UHFFFAOYSA-K,I3Sm,531.1,532.6332,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PALLADIUM(2+), TETRAAMMINE-, (SP-4-1)-, (SP-4-1)-TETRACHLOROPALLADATE(2-) (1:1",013820-44-5,16213090,azane;palladium(2+);tetrachloropalladium(2-),N.N.N.N.Cl[Pd-2](Cl)(Cl)Cl.[Pd+2],InChI=1S/4ClH.4H3N.2Pd/h4*1H;4*1H3;;/q;;;;;;;;2*+2/p-4,SAZHJAFUUQUXRW-UHFFFAOYSA-J,Cl4H12N4Pd2,422.8,423.78603,,4,19,0,4,5,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SULFAMIC ACID, MONOPOTASSIUM SALT",013823-50-2,23687442,potassium sulfamate,NS(=O)(=O)[O-].[K+],"InChI=1S/K.H3NO3S/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1",BTAAXEFROUUDIL-UHFFFAOYSA-M,H2KNO3S,135.19,134.9392456,,91.6,96,0,1,4,0,6,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
HOLMIUM BROMIDE (HOBR3),013825-76-8,83760,tribromoholmium,Br[Ho](Br)Br,InChI=1S/3BrH.Ho/h3*1H;/q;;;+3/p-3,MZNSYJWLQLXLHE-UHFFFAOYSA-K,Br3Ho,404.64,403.68329,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"RHODATE(3-), HEXACHLORO-, TRIPOTASSIUM, (OC-6-11)-",013845-07-3,56923611,tripotassium;hexachlororhodium(3-),Cl[Rh-3](Cl)(Cl)(Cl)(Cl)Cl.[K+].[K+].[K+],InChI=1S/6ClH.3K.Rh/h6*1H;;;;/q;;;;;;3*+1;+3/p-6,OTOHACXAQUCHJO-UHFFFAOYSA-H,Cl6K3Rh,432.9,431.60678,,0,62,0,0,1,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
YTTERBIUM CHLORIDE (YBCL2),013874-77-6,83785,ytterbium(2+) dichloride,[Cl-].[Cl-].[Yb+2],InChI=1S/2ClH.Yb/h2*1H;/q;;+2/p-2,LINIOGPXIKIICR-UHFFFAOYSA-L,Cl2Yb,243.95,243.8765729,,0,0,0,0,2,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BUTENOIC ACID, 3-AMINO-, 1,4-BUTANEDIYL ESTER",014205-47-1,84256,4-(3-aminobut-2-enoyloxy)butyl 3-aminobut-2-enoate,CC(=CC(=O)OCCCCOC(=O)C=C(C)N)N,"InChI=1S/C12H20N2O4/c1-9(13)7-11(15)17-5-3-4-6-18-12(16)8-10(2)14/h7-8H,3-6,13-14H2,1-2H3",DFUXQARZEWMFLQ-UHFFFAOYSA-N,C12H20N2O4,256.3,256.1423071,1.7,105,314,0,2,6,9,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BUTENEDIOIC ACID (Z)-, BIS(2-METHYLPROPYL) ESTER",014234-82-3,5369200,bis(2-methylpropyl) (Z)-but-2-enedioate,CC(C)COC(=O)/C=C\C(=O)OCC(C)C,"InChI=1S/C12H20O4/c1-9(2)7-15-11(13)5-6-12(14)16-8-10(3)4/h5-6,9-10H,7-8H2,1-4H3/b6-5-",RSRICHZMFPHXLE-WAYWQWQTSA-N,C12H20O4,228.28,228.1361591,2.9,52.6,228,0,0,4,8,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"SULFURIC ACID, ALUMINUM CESIUM SALT (2:1:1)",014284-36-7,167056,aluminum;cesium;disulfate,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Cs+],"InChI=1S/Al.Cs.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4",YRAMACNQEYDINL-UHFFFAOYSA-J,AlCsO8S2,352.02,351.7904497,,177,62,0,0,8,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SULFURIC ACID, DYSPROSIUM(3+) SALT (3:2)",014373-91-2,167079,bis(dysprosium(3+));trisulfate,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Dy+3].[Dy+3],"InChI=1S/2Dy.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",FLWXWKDFOLALOB-UHFFFAOYSA-H,Dy2O12S3,613.2,613.71117,,266,62,0,0,12,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIMETHYL-DECANAMIDE",014433-76-2,26690,"N,N-dimethyldecanamide",CCCCCCCCCC(=O)N(C)C,"InChI=1S/C12H25NO/c1-4-5-6-7-8-9-10-11-12(14)13(2)3/h4-11H2,1-3H3",HNXNKTMIVROLTK-UHFFFAOYSA-N,C12H25NO,199.33,199.1936144,4,20.3,143,0,0,1,8,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"SILANAMINE, 1-(CHLOROMETHYL)-N-[(CHLOROMETHYL)DIMETHYLSILYL]-1,1-DIMETHYL-",014579-91-0,26740,chloro-[[[chloromethyl(dimethyl)silyl]amino]-dimethylsilyl]methane,C[Si](C)(CCl)N[Si](C)(C)CCl,"InChI=1S/C6H17Cl2NSi2/c1-10(2,5-7)9-11(3,4)6-8/h9H,5-6H2,1-4H3",SXSNZRHGAMVNJE-UHFFFAOYSA-N,C6H17Cl2NSi2,230.28,229.027658,,12,114,0,1,1,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"THIOPEROXYDICARBONIMIDIC DIAMIDE ([(H2N)C(NH)]2S2), DIHYDROCHLORIDE",014807-75-1,24802135,carbamimidoylsulfanyl carbamimidothioate;dihydrochloride,C(=N)(N)SSC(=N)N.Cl.Cl,"InChI=1S/C2H6N4S2.2ClH/c3-1(4)7-8-2(5)6;;/h(H3,3,4)(H3,5,6);2*1H",BFJQSCVWXZOXGK-UHFFFAOYSA-N,C2H8Cl2N4S2,223.2,221.956744,,150,96,0,6,4,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-OCTYN-1-OL,014916-80-4,84694,oct-3-yn-1-ol,CCCCC#CCCO,"InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h9H,2-4,7-8H2,1H3",LRZGRGVRZSDRTK-UHFFFAOYSA-N,C8H14O,126.2,126.1044651,2.1,20.2,104,0,1,1,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMOTETRADECANOIC ACID ETHYL ESTER,014980-92-8,85791,ethyl 2-bromotetradecanoate,CCCCCCCCCCCCC(C(=O)OCC)Br,"InChI=1S/C16H31BrO2/c1-3-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19-4-2/h15H,3-14H2,1-2H3",JQQZIRFEGUUJBP-UHFFFAOYSA-N,C16H31BrO2,335.32,334.15074,7.4,26.3,207,0,0,2,14,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-METHOXY-, TRIESTER WITH BORIC ACID (H3BO3)",014983-42-7,84742,tris(2-methoxyethyl) borate,B(OCCOC)(OCCOC)OCCOC,"InChI=1S/C9H21BO6/c1-11-4-7-14-10(15-8-5-12-2)16-9-6-13-3/h4-9H2,1-3H3",IYGPXXORQKFXCZ-UHFFFAOYSA-N,C9H21BO6,236.07,236.1431186,,55.4,113,0,0,6,12,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SULFURIC ACID, LUTETIUM(3+) SALT (3:2)",014986-89-1,167223,bis(lutetium(3+));trisulfate,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Lu+3].[Lu+3],"InChI=1S/2Lu.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",GJENVQFRSQOLAE-UHFFFAOYSA-H,Lu2O12S3,638.1,637.73674,,266,62,0,0,12,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SULFURIC ACID, HOLMIUM(3+) SALT (3:2)",015622-40-9,167320,bis(holmium(3+));trisulfate,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ho+3].[Ho+3],"InChI=1S/2Ho.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",MKPJADFELTTXAV-UHFFFAOYSA-H,Ho2O12S3,618.1,617.71585,,266,62,0,0,12,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-BUTANAMINIUM, N,N,N-TRIBUTYL-, TETRACHLOROIODATE(1-)",015625-59-9,73555556,,CCCC[N+](CCCC)(CCCC)CCCC.Cl[I-](Cl)(Cl)Cl,"InChI=1S/C16H36N.Cl4I/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;/q+1;-1",HBZJAVINJZUOEH-UHFFFAOYSA-N,C16H36Cl4IN,511.2,511.06171,,0,135,0,0,1,12,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BUTANEDITHIOL",016128-68-0,61829,"butane-1,2-dithiol",CCC(CS)S,"InChI=1S/C4H10S2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3",LFTMJBWNOFFSRW-UHFFFAOYSA-N,C4H10S2,122.3,122.0223927,1.8,2,28,0,2,2,2,6,,77.00 °C. @ 28.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 2-METHYL-, UNDECYL ESTER",016493-35-9,85455,undecyl 2-methylprop-2-enoate,CCCCCCCCCCCOC(=O)C(=C)C,"InChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-11-12-13-17-15(16)14(2)3/h2,4-13H2,1,3H3",KRLHYNPADOCLAJ-UHFFFAOYSA-N,C15H28O2,240.38,240.2089301,6.7,26.3,209,0,0,2,12,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, ACETATE, (R)-",016509-46-9,442474,"[(3R)-3,7-dimethylocta-1,6-dien-3-yl] acetate",CC(=CCC[C@](C)(C=C)OC(=O)C)C,"InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3/t12-/m0/s1",UWKAYLJWKGQEPM-LBPRGKRZSA-N,C12H20O2,196.29,196.1463299,3.3,26.3,237,0,0,2,6,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"TETRADECANOIC ACID, 2-BROMO-, METHYL ESTER",016631-25-7,86045,methyl 2-bromotetradecanoate,CCCCCCCCCCCCC(C(=O)OC)Br,"InChI=1S/C15H29BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18-2/h14H,3-13H2,1-2H3",NTDPLPAGWMERRU-UHFFFAOYSA-N,C15H29BrO2,321.29,320.13509,7.1,26.3,195,0,0,2,13,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPANOL, 1,3-BIS(2-PROPENYLOXY)-",017018-07-4,86908,"1,3-bis(prop-2-enoxy)propan-2-ol",C=CCOCC(COCC=C)O,"InChI=1S/C9H16O3/c1-3-5-11-7-9(10)8-12-6-4-2/h3-4,9-10H,1-2,5-8H2",OFLGYLDXUIXHQY-UHFFFAOYSA-N,C9H16O3,172.22,172.1099444,0.6,38.7,109,0,1,3,8,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PENTANEDIOIC ACID, 2-OXO-, SODIUM SALT",017091-15-5,23670750,"sodium 5-hydroxy-2,5-dioxopentanoate",C(CC(=O)O)C(=O)C(=O)[O-].[Na+],"InChI=1S/C5H6O5.Na/c6-3(5(9)10)1-2-4(7)8;/h1-2H2,(H,7,8)(H,9,10);/q;+1/p-1",MOTOGHHLNTXPTI-UHFFFAOYSA-M,C5H5NaO5,168.08,168.0034675,,94.5,176,0,1,5,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-TRIDECANAMINE, N,N-DIMETHYL-",017373-29-4,87084,"N,N-dimethyltridecan-1-amine",CCCCCCCCCCCCCN(C)C,"InChI=1S/C15H33N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)3/h4-15H2,1-3H3",ADXNPXDFKKWVGE-UHFFFAOYSA-N,C15H33N,227.43,227.2613001,6.4,3.2,121,0,0,1,12,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"SILICIC ACID (H4SIO4), TETRAKIS(2-HYDROXYETHYL) ESTER",017622-94-5,28650,tetrakis(2-hydroxyethyl) silicate,C(CO[Si](OCCO)(OCCO)OCCO)O,"InChI=1S/C8H20O8Si/c9-1-5-13-17(14-6-2-10,15-7-3-11)16-8-4-12/h9-12H,1-8H2",URFIZJRFOOZIBS-UHFFFAOYSA-N,C8H20O8Si,272.32,272.0927441,,118,132,0,4,8,12,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-AMINO-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (SALT)",017863-38-6,167679,"2-aminoethanol;2-hydroxypropane-1,2,3-tricarboxylic acid",C(CO)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,"InChI=1S/C6H8O7.C2H7NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;3-1-2-4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);4H,1-3H2",WSAWCZQGMIRDJL-UHFFFAOYSA-N,C8H15NO8,253.21,253.0797664,,178,237,0,6,9,6,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"9-OCTADECENOIC ACID (Z)-, COMPD. WITH N-(2-AMINOETHYL)-1,2-ETHANEDIAMINE",018016-43-8,6441410,"N'-(2-aminoethyl)ethane-1,2-diamine;(Z)-octadec-9-enoic acid",CCCCCCCC/C=C\CCCCCCCC(=O)O.C(CNCCN)N,"InChI=1S/C18H34O2.C4H13N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;5-1-3-7-4-2-6/h9-10H,2-8,11-17H2,1H3,(H,19,20);7H,1-6H2/b10-9-;",PYBPYUAKCDQFCS-KVVVOXFISA-N,C22H47N3O2,385.6,385.3668278,,101,260,0,4,5,19,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"DISILOXANE, 1,3-BIS(3-CHLOROPROPYL)-1,1,3,3-TETRAMETHYL-",018132-72-4,87463,3-chloropropyl-[3-chloropropyl(dimethyl)silyl]oxy-dimethylsilane,C[Si](C)(CCCCl)O[Si](C)(C)CCCCl,"InChI=1S/C10H24Cl2OSi2/c1-14(2,9-5-7-11)13-15(3,4)10-6-8-12/h5-10H2,1-4H3",OILWIZSTLQQEBD-UHFFFAOYSA-N,C10H24Cl2OSi2,287.37,286.0742738,,9.2,157,0,0,1,8,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(2-PROPENOIC ACID, DOCOSYL ESTER",018299-85-9,87565,docosyl prop-2-enoate,CCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C,"InChI=1S/C25H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-25(26)4-2/h4H,2-3,5-24H2,1H3",KHAYCTOSKLIHEP-UHFFFAOYSA-N,C25H48O2,380.6,380.3654308,11.6,26.3,311,0,0,2,23,27,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DECADIEN-1-OL, (E,E)-",018409-21-7,5362696,"(2E,4E)-deca-2,4-dien-1-ol",CCCCC/C=C/C=C/CO,"InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h6-9,11H,2-5,10H2,1H3/b7-6+,9-8+",NUBWFSDCZULDCI-BLHCBFLLSA-N,C10H18O,154.25,154.1357652,3.1,20.2,114,0,1,1,6,11,,112.00 °C. @ 10.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"SILANE, TRIOCTYL-",018765-09-8,6327367,,CCCCCCCC[Si](CCCCCCCC)CCCCCCCC,"InChI=1S/C24H51Si/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3",QTKHQYWRGFZFHG-UHFFFAOYSA-N,C24H51Si,367.7,367.3760032,,0,188,0,0,0,21,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"SILICIC ACID (H4SIO4), TETRAKIS(2-BUTOXYETHYL) ESTER",018765-38-3,87781,tetrakis(2-butoxyethyl) silicate,CCCCOCCO[Si](OCCOCCCC)(OCCOCCCC)OCCOCCCC,"InChI=1S/C24H52O8Si/c1-5-9-13-25-17-21-29-33(30-22-18-26-14-10-6-2,31-23-19-27-15-11-7-3)32-24-20-28-16-12-8-4/h5-24H2,1-4H3",KWBZWRZCDGHBIQ-UHFFFAOYSA-N,C24H52O8Si,496.7,496.3431452,,73.8,307,0,0,8,28,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"ACETIC ACID, DYSPROSIUM(3+) SALT",018779-07-2,167746,dysprosium(3+) triacetate,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Dy+3],"InChI=1S/3C2H4O2.Dy/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",HKCSKROOVZMKSO-UHFFFAOYSA-K,C6H9DyO6,339.63,340.969094,,120,25,0,0,6,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, LUTETIUM(3+) SALT",018779-08-3,167747,lutetium(3+) triacetate,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Lu+3],"InChI=1S/3C2H4O2.Lu/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",YMPHWTSLMNFNFB-UHFFFAOYSA-K,C6H9LuO6,352.1,351.98069,,120,25,0,0,6,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-PROPANEDIOL, 2-(BROMOMETHYL)-2-(HYDROXYMETHYL)-",019184-65-7,87954,"2-(bromomethyl)-2-(hydroxymethyl)propane-1,3-diol",C(C(CO)(CO)CBr)O,"InChI=1S/C5H11BrO3/c6-1-5(2-7,3-8)4-9/h7-9H,1-4H2",MMHHBAUIJVTLFZ-UHFFFAOYSA-N,C5H11BrO3,199.04,197.98916,-1,60.7,64,0,3,3,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BUTENEDIOIC ACID (Z), MONO(2-((1-OXO-PROPENYLOXY)ETHYL) ESTER",019201-36-6,6436501,(Z)-4-oxo-4-(2-prop-2-enoyloxyethoxy)but-2-enoic acid,C=CC(=O)OCCOC(=O)/C=C\C(=O)O,"InChI=1S/C9H10O6/c1-2-8(12)14-5-6-15-9(13)4-3-7(10)11/h2-4H,1,5-6H2,(H,10,11)/b4-3-",ROZDMUUELHCVQC-ARJAWSKDSA-N,C9H10O6,214.17,214.047738,0.4,89.9,291,0,1,6,8,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,6,10-DODECATRIENAL, 3,7,11-TRIMETHYL-",019317-11-4,68150,"3,7,11-trimethyldodeca-2,6,10-trienal",CC(=CCCC(=CCCC(=CC=O)C)C)C,"InChI=1S/C15H24O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11-12H,5-6,8,10H2,1-4H3",YHRUHBBTQZKMEX-UHFFFAOYSA-N,C15H24O,220.35,220.1827154,4.9,17.1,289,0,0,1,7,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"PENTANE, 2,4-DIBROMO-",019398-53-9,137228,"2,4-dibromopentane",CC(CC(C)Br)Br,"InChI=1S/C5H10Br2/c1-4(6)3-5(2)7/h4-5H,3H2,1-2H3",KUZOHDYKJXNCSI-UHFFFAOYSA-N,C5H10Br2,229.94,229.91288,3,0,39,0,0,0,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 2,3-DIBROMOPROPYL ESTER",019660-16-3,29728,"2,3-dibromopropyl prop-2-enoate",C=CC(=O)OCC(CBr)Br,"InChI=1S/C6H8Br2O2/c1-2-6(9)10-4-5(8)3-7/h2,5H,1,3-4H2",MUKJDVAYJDKPAG-UHFFFAOYSA-N,C6H8Br2O2,271.93,271.88706,2.3,26.3,125,0,0,2,5,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-METHYL-, 2,2-BIS[(2-PROPENYLOXY)METHYL]BUTYL ESTER",020241-99-0,88432,"2,2-bis(prop-2-enoxymethyl)butyl 2-methylprop-2-enoate",CCC(COCC=C)(COCC=C)COC(=O)C(=C)C,"InChI=1S/C16H26O4/c1-6-9-18-11-16(8-3,12-19-10-7-2)13-20-15(17)14(4)5/h6-7H,1-2,4,8-13H2,3,5H3",DDZCXKJJOQTKQP-UHFFFAOYSA-N,C16H26O4,282.37,282.1831093,3.1,44.8,319,0,0,4,13,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANEDIOIC ACID, SULFO-, SODIUM SALT",020526-58-3,5463927,sodium 2-sulfobutanedioate,C(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-].[Na+],"InChI=1S/C4H6O7S.Na/c5-3(6)1-2(4(7)8)12(9,10)11;/h2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);/q;+1/p-2",WQQPDTLGLVLNOH-UHFFFAOYSA-L,C4H4NaO7S-,219.13,218.9575429,,143,272,-1,1,7,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANEDIOIC ACID, BIS(HYDROXYMETHYL)-, DIETHYL ESTER",020605-01-0,311844,"diethyl 2,2-bis(hydroxymethyl)propanedioate",CCOC(=O)C(CO)(CO)C(=O)OCC,"InChI=1S/C9H16O6/c1-3-14-7(12)9(5-10,6-11)8(13)15-4-2/h10-11H,3-6H2,1-2H3",WIOHBOKEUIHYIC-UHFFFAOYSA-N,C9H16O6,220.22,220.0946882,-0.6,93.1,201,0,2,6,8,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"11-TETRADECEN-1-OL, ACETATE, (Z)-",020711-10-8,5367692,[(Z)-tetradec-11-enyl] acetate,CC/C=C\CCCCCCCCCCOC(=O)C,"InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-5H,3,6-15H2,1-2H3/b5-4-",YJINQJFQLQIYHX-PLNGDYQASA-N,C16H30O2,254.41,254.2245802,5.9,26.3,209,0,0,2,13,18,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"SULFURIC ACID, THULIUM(3+) SALT (3:2)",020731-62-8,167926,bis(thulium(3+));trisulfate,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Tm+3].[Tm+3],"InChI=1S/3H2O4S.2Tm/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+3/p-6",NEEAOWXTIOQDFM-UHFFFAOYSA-H,O12S3Tm2,626.1,625.72363,,266,62,0,0,12,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-OCTANOL, 3,7-DIMETHYL-, ACETATE",020780-48-7,89385,"3,7-dimethyloctan-3-yl acetate",CCC(C)(CCCC(C)C)OC(=O)C,"InChI=1S/C12H24O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h10H,6-9H2,1-5H3",RBKRCARRXLFUGJ-UHFFFAOYSA-N,C12H24O2,200.32,200.17763,3.8,26.3,175,0,0,2,7,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"1-OCTANOL, 3,7-DIMETHYL-, ACETATE",020780-49-8,30249,"3,7-dimethyloctyl acetate",CC(C)CCCC(C)CCOC(=O)C,"InChI=1S/C12H24O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h10-11H,5-9H2,1-4H3",XFPXWDJICXBWRU-UHFFFAOYSA-N,C12H24O2,200.32,200.17763,4.2,26.3,152,0,0,2,8,14,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
(OC-6-11)HEXAKIS(CYANO-KAPPAC)IRIDATE(3-) TRIPOTASSIUM,020792-41-0,167933,tripotassium;iridium(3+);hexacyanide,[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[K+].[K+].[Ir+3],InChI=1S/6CN.Ir.3K/c6*1-2;;;;/q6*-1;+3;3*+1,ABSXHGQRDNGJJQ-UHFFFAOYSA-N,C6IrK3N6,465.62,465.87249,,143,10,0,0,12,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANEDIOIC ACID, 2,3-DIHYDROXY- [R-(R*,R*)]-, DISILVER(1+) SALT",020963-87-5,167950,"disilver;(2R,3R)-2,3-dihydroxybutanedioate",[C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O.[Ag+].[Ag+],"InChI=1S/C4H6O6.2Ag/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2/t1-,2-;;/m1../s1",ZUVOYUDQAUHLLG-OLXYHTOASA-L,C4H4Ag2O6,363.81,363.81064,,121,123,0,2,6,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEPTANENITRILE, 7-BROMO-",020965-27-9,88737,7-bromoheptanenitrile,C(CCCBr)CCC#N,InChI=1S/C7H12BrN/c8-6-4-2-1-3-5-7-9/h1-6H2,HVVQSKCGHAPHMV-UHFFFAOYSA-N,C7H12BrN,190.08,189.01531,2.3,23.8,92,0,0,1,5,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, YTTERBIUM(3+) SALT",020981-49-1,167952,ytterbium(3+) triacetate,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Yb+3],"InChI=1S/3C2H4O2.Yb/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",OSCVBYCJUSOYPN-UHFFFAOYSA-K,C6H9O6Yb,350.18,350.9787805,,120,25,0,0,6,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHONIC ACID, CALCIUM SALT (1:1)",021056-98-4,15531084,,[O-]P(=O)=O.[Ca+2],"InChI=1S/Ca.HO3P/c;1-4(2)3/h;(H,1,2,3)/q+2;/p-1",XTQCTYCLKSNIDH-UHFFFAOYSA-M,CaO3P+,119.05,118.9210967,,57.2,36,1,0,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 2-METHYL-, 2-[2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHOXY]ETHYL ESTE",021217-75-4,88829,2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCOCCOCCOCCO,"InChI=1S/C12H22O6/c1-11(2)12(14)18-10-9-17-8-7-16-6-5-15-4-3-13/h13H,1,3-10H2,2H3",MCWMYICYUGCRDY-UHFFFAOYSA-N,C12H22O6,262.3,262.1416384,0,74.2,229,0,1,6,13,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"RHODIUM(2+), PENTAAMMINECHLORO-, (OC-6-22)-, SULFATE (1:1)",021360-80-5,161354,azane;rhodium(3+);chloride;sulfate,N.N.N.N.N.[O-]S(=O)(=O)[O-].[Cl-].[Rh+3],"InChI=1S/ClH.5H3N.H2O4S.Rh/c;;;;;;1-5(2,3)4;/h1H;5*1H3;(H2,1,2,3,4);/q;;;;;;;+3/p-3",OOSRUSVOEZAAGX-UHFFFAOYSA-K,ClH15N5O4RhS,319.58,318.95882,,93.6,62,0,5,10,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, TETRADECYL ESTER",021643-42-5,88984,tetradecyl prop-2-enoate,CCCCCCCCCCCCCCOC(=O)C=C,"InChI=1S/C17H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2/h4H,2-3,5-16H2,1H3",XZHNPVKXBNDGJD-UHFFFAOYSA-N,C17H32O2,268.4,268.2402303,7.3,26.3,211,0,0,2,15,19,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"2,4-DODECADIENAL, (E,E)-",021662-16-8,5367530,"(2E,4E)-dodeca-2,4-dienal",CCCCCCC/C=C/C=C/C=O,"InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-12H,2-7H2,1H3/b9-8+,11-10+",QKTZBZWNADPFOL-BNFZFUHLSA-N,C12H20O,180.29,180.1514153,4.3,17.1,157,0,0,1,8,13,,130.00 °C. @ 6.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"UNDECANAL, 2-METHYLENE-",022414-68-2,89705,2-methylideneundecanal,CCCCCCCCCC(=C)C=O,"InChI=1S/C12H22O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h11H,2-10H2,1H3",PVDIIWUJHVIZTK-UHFFFAOYSA-N,C12H22O,182.3,182.1670653,4.9,17.1,138,0,0,1,9,13,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"DECANAL, 2-METHYLENE-",022418-65-1,89706,2-methylidenedecanal,CCCCCCCCC(=C)C=O,"InChI=1S/C11H20O/c1-3-4-5-6-7-8-9-11(2)10-12/h10H,2-9H2,1H3",JXBPQQPESPAUPO-UHFFFAOYSA-N,C11H20O,168.28,168.1514153,4.4,17.1,127,0,0,1,8,12,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"7-OCTENE-1,6-DIOL, 3,7-DIMETHYL-",022460-95-3,90790,"3,7-dimethyloct-7-ene-1,6-diol",CC(CCC(C(=C)C)O)CCO,"InChI=1S/C10H20O2/c1-8(2)10(12)5-4-9(3)6-7-11/h9-12H,1,4-7H2,2-3H3",HWNJNAUJFVQJRV-UHFFFAOYSA-N,C10H20O2,172.26,172.1463299,2,40.5,132,0,2,2,6,12,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"GUANIDINE, N,N-DIMETHYL-, MONOHYDROCHLORIDE",022583-29-5,15621627,"1,1-dimethylguanidine;hydrochloride",CN(C)C(=N)N.Cl,"InChI=1S/C3H9N3.ClH/c1-6(2)3(4)5;/h1-2H3,(H3,4,5);1H",NQQVLNFSVPLPII-UHFFFAOYSA-N,C3H10ClN3,123.58,123.056325,,53.1,57,0,3,1,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-OCTANOL, 8-CHLORO-",023144-52-7,90012,8-chlorooctan-1-ol,C(CCCCCl)CCCO,"InChI=1S/C8H17ClO/c9-7-5-3-1-2-4-6-8-10/h10H,1-8H2",YDFAJMDFCCJZSI-UHFFFAOYSA-N,C8H17ClO,164.67,164.0967929,2.6,20.2,57,0,1,1,7,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"NONANOIC ACID, POTASSIUM SALT",023282-34-0,23681740,potassium nonanoate,CCCCCCCCC(=O)[O-].[K+],"InChI=1S/C9H18O2.K/c1-2-3-4-5-6-7-8-9(10)11;/h2-8H2,1H3,(H,10,11);/q;+1/p-1",WQEDQSDEIXNCCI-UHFFFAOYSA-M,C9H17KO2,196.33,196.0865613,,40.1,105,0,0,2,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHONIC ACID, [1,6-HEXANEDIYLBIS[NITRILOBIS(METHYLENE)]]TETRAKIS-",023605-74-5,90209,[6-[bis(phosphonomethyl)amino]hexyl-(phosphonomethyl)amino]methylphosphonic acid,C(CCCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)O,"InChI=1S/C10H28N2O12P4/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)",KIDJHPQACZGFTI-UHFFFAOYSA-N,C10H28N2O12P4,492.23,492.0592723,-9.7,237,547,0,8,14,15,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"UNDECANOIC ACID, 2-METHYL-",024323-25-9,91168,2-methylundecanoic acid,CCCCCCCCCC(C)C(=O)O,"InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11(2)12(13)14/h11H,3-10H2,1-2H3,(H,13,14)",PFFITEZSYJIHHR-UHFFFAOYSA-N,C12H24O2,200.32,200.17763,5,37.3,143,0,1,2,9,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 1,3-PROPANEDIYL ESTER",024493-53-6,62784,3-prop-2-enoyloxypropyl prop-2-enoate,C=CC(=O)OCCCOC(=O)C=C,"InChI=1S/C9H12O4/c1-3-8(10)12-6-5-7-13-9(11)4-2/h3-4H,1-2,5-7H2",GFLJTEHFZZNCTR-UHFFFAOYSA-N,C9H12O4,184.19,184.0735589,1.5,52.6,186,0,0,4,8,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"HEXANE, 2,5-DIBROMO-",024774-58-1,91232,"2,5-dibromohexane",CC(CCC(C)Br)Br,"InChI=1S/C6H12Br2/c1-5(7)3-4-6(2)8/h5-6H,3-4H2,1-2H3",MQYLGFBWOZXHHF-UHFFFAOYSA-N,C6H12Br2,243.97,243.92853,3.3,0,46,0,0,0,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"9-OCTADECENOIC ACID (Z)-, ANHYDRIDE",024909-72-6,5369123,[(Z)-octadec-9-enoyl] (Z)-octadec-9-enoate,CCCCCCCC/C=C\CCCCCCCC(=O)OC(=O)CCCCCCC/C=C\CCCCCCCC,"InChI=1S/C36H66O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-34H2,1-2H3/b19-17-,20-18-",OCNZHGHKKQOQCZ-CLFAGFIQSA-N,C36H66O3,546.9,546.501196,14.9,43.4,528,0,0,3,32,39,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHOROUS ACID, TRIISOOCTYL ESTER",025103-12-2,90714,tris(6-methylheptyl) phosphite,CC(C)CCCCCOP(OCCCCCC(C)C)OCCCCCC(C)C,"InChI=1S/C24H51O3P/c1-22(2)16-10-7-13-19-25-28(26-20-14-8-11-17-23(3)4)27-21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3",DECPGQLXYYCNEZ-UHFFFAOYSA-N,C24H51O3P,418.6,418.3575825,9.5,27.7,261,0,0,3,21,28,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,5-Hexanedione, 3,4-dimethyl-",025234-79-1,32851,"3,4-dimethylhexane-2,5-dione",CC(C(C)C(=O)C)C(=O)C,"InChI=1S/C8H14O2/c1-5(7(3)9)6(2)8(4)10/h5-6H,1-4H3",GECZPGNLQXZLFU-UHFFFAOYSA-N,C8H14O2,142.2,142.0993797,0.7,34.1,131,0,0,2,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHORIC ACID, DIBUTYL ESTER, POTASSIUM SALT",025238-98-6,23672341,potassium dibutyl phosphate,CCCCOP(=O)([O-])OCCCC.[K+],"InChI=1S/C8H19O4P.K/c1-3-5-7-11-13(9,10)12-8-6-4-2;/h3-8H2,1-2H3,(H,9,10);/q;+1/p-1",DAIJJJOANAXVGC-UHFFFAOYSA-M,C8H18KO4P,248.3,248.0579775,,58.6,151,0,0,4,8,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"7-OCTEN-2-OL, 2,6-DIMETHYL-, FORMATE",025279-09-8,91375,"2,6-dimethyloct-7-en-2-yl formate",CC(CCCC(C)(C)OC=O)C=C,"InChI=1S/C11H20O2/c1-5-10(2)7-6-8-11(3,4)13-9-12/h5,9-10H,1,6-8H2,2-4H3",ONXALCWZXZZQSG-UHFFFAOYSA-N,C11H20O2,184.27,184.1463299,3.4,26.3,161,0,0,2,7,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-PROPANAMINE, 3-[3,3,3-TRIMETHYL-1,1-BIS[(TRIMETHYLSILYL)OXY]DISILOXANYL]-",025357-81-7,2756547,3-tris(trimethylsilyloxy)silylpropan-1-amine,C[Si](C)(C)O[Si](CCCN)(O[Si](C)(C)C)O[Si](C)(C)C,"InChI=1S/C12H35NO3Si4/c1-17(2,3)14-20(12-10-11-13,15-18(4,5)6)16-19(7,8)9/h10-13H2,1-9H3",KCJAIHQXOQUWTI-UHFFFAOYSA-N,C12H35NO3Si4,353.75,353.1694001,,53.7,254,0,1,4,9,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, ERBIUM(3+) SALT",025519-10-2,168385,erbium(3+) triacetate,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Er+3],"InChI=1S/3C2H4O2.Er/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",DBUHPIKTDUMWTR-UHFFFAOYSA-K,C6H9ErO6,344.39,342.970214,,120,25,0,0,6,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-DECYL-.OMEGA.-HYDROXY-",026183-52-8,62806,2-decoxyethanol,CCCCCCCCCCOCCO,"InChI=1S/C12H26O2/c1-2-3-4-5-6-7-8-9-11-14-12-10-13/h13H,2-12H2,1H3",CBVDPTYIDMQDEO-UHFFFAOYSA-N,C12H26O2,202.33,202.1932801,4,29.5,94,0,1,2,11,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
OCTADECEN-1-OL,026446-12-8,5367665,(E)-octadec-9-en-1-ol,CCCCCCCC/C=C/CCCCCCCCO,"InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,19H,2-8,11-18H2,1H3/b10-9+",ALSTYHKOOCGGFT-MDZDMXLPSA-N,C18H36O,268.5,268.2766158,7.4,20.2,175,0,1,1,15,19,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-[2-[(1-OXODODECYL)AMINO]ETHYL]-.OMEGA.-HYDRO",026635-75-6,168575,N-[2-(2-hydroxyethoxy)ethyl]dodecanamide,CCCCCCCCCCCC(=O)NCCOCCO,"InChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(19)17-12-14-20-15-13-18/h18H,2-15H2,1H3,(H,17,19)",SIFSGJHNINUHSG-UHFFFAOYSA-N,C16H33NO3,287.44,287.2460439,3.9,58.6,210,0,2,3,15,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4,6,10-DODECATRIEN-3-ONE, 7,11-DIMETHYL-",026651-96-7,94373,"7,11-dimethyldodeca-4,6,10-trien-3-one",CCC(=O)C=CC=C(C)CCC=C(C)C,"InChI=1S/C14H22O/c1-5-14(15)11-7-10-13(4)9-6-8-12(2)3/h7-8,10-11H,5-6,9H2,1-4H3",SPHLZZZXIWUZNM-UHFFFAOYSA-N,C14H22O,206.32,206.1670653,4.4,17.1,276,0,0,1,6,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"2-PROPENOIC ACID, 2-METHYL-, 2,2-BIS(HYDROXYMETHYL)-1,3-PROPANEDIYLESTER",026846-58-2,117876,"[2,2-bis(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate",CC(=C)C(=O)OCC(CO)(CO)COC(=O)C(=C)C,"InChI=1S/C13H20O6/c1-9(2)11(16)18-7-13(5-14,6-15)8-19-12(17)10(3)4/h14-15H,1,3,5-8H2,2,4H3",GQPVFBDWIUVLHG-UHFFFAOYSA-N,C13H20O6,272.29,272.1259884,0.7,93.1,335,0,2,6,10,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANAMIDE, 3-[(2-HYDROXYETHYL)AMINO]-",027076-30-8,117919,3-(2-hydroxyethylamino)propanamide,C(CNCCO)C(=O)N,"InChI=1S/C5H12N2O2/c6-5(9)1-2-7-3-4-8/h7-8H,1-4H2,(H2,6,9)",WRLAXUYIDLSRHV-UHFFFAOYSA-N,C5H12N2O2,132.16,132.0898776,-2,75.4,85,0,3,3,5,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ISOOCTADECANOL,027458-93-1,62825,16-methylheptadecan-1-ol,CC(C)CCCCCCCCCCCCCCCO,"InChI=1S/C18H38O/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h18-19H,3-17H2,1-2H3",WNWHHMBRJJOGFJ-UHFFFAOYSA-N,C18H38O,270.5,270.2922658,8.1,20.2,154,0,1,1,15,19,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-SULFO-.OMEGA.-(TETRADECYLOXY)-, AMMONIUM SAL",027731-61-9,5463960,azanium;1-tetradecoxytetradecane;sulfate,CCCCCCCCCCCCCCOCCCCCCCCCCCCCC.[NH4+].[O-]S(=O)(=O)[O-],"InChI=1S/C28H58O.H3N.H2O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;1-5(2,3)4/h3-28H2,1-2H3;1H3;(H2,1,2,3,4)/p-1",VDHGNXAHADQLKO-UHFFFAOYSA-M,C28H62NO5S-,524.9,524.4348703,,98.9,299,-1,1,5,26,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHONIC ACID, [NITRILOTRIS(METHYLENE)]TRIS-, POTASSIUM SALT",027794-93-0,161581,"hexapotassium;1-phosphonato-N,N-bis(phosphonatomethyl)methanamine",C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)([O-])[O-].[K+].[K+].[K+].[K+].[K+].[K+],"InChI=1S/C3H12NO9P3.6K/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;;;;;/q;6*+1/p-6",DKPHLYCEFBDQKM-UHFFFAOYSA-H,C3H6K6NO9P3,527.59,526.7077807,,193,271,0,0,10,3,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,6-NONADIEN-1-OL, (E,Z)-",028069-72-9,5362833,"(2E,6Z)-nona-2,6-dien-1-ol",CC/C=C\CC/C=C/CO,"InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-8,10H,2,5-6,9H2,1H3/b4-3-,8-7+",AMXYRHBJZOVHOL-ODYTWBPASA-N,C9H16O,140.22,140.1201151,2.1,20.2,103,0,1,1,5,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"IRIDATE(2-), AQUAPENTACHLORO-, DIPOTASSIUM, (OC-6-21)-",028235-15-6,168777,dipotassium;iridium(3+);pentachloride;hydrate,O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[K+].[K+].[Ir+3],InChI=1S/5ClH.Ir.2K.H2O/h5*1H;;;;1H2/q;;;;;+3;2*+1;/p-5,SHXXOSBLSMPKKB-UHFFFAOYSA-I,Cl5H2IrK2O,465.7,465.74221,,1,0,0,1,6,0,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"Ether, fluoromethyl 2,2,2-trifluoro-1-(trifluoromethyl)ethyl-",028523-86-6,5206,"1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane",C(OC(C(F)(F)F)C(F)(F)F)F,"InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2",DFEYYRMXOJXZRJ-UHFFFAOYSA-N,C4H3F7O,200.05,200.0072119,2.8,9.2,121,0,0,8,2,12,,58.1-58.2 °C at 751 mm Hg; 585.5 °C at 760 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"2-PROPEN-1-AMINIUM, N,N,N-TRIETHYL-, BROMIDE",029443-23-0,122377,triethyl(prop-2-enyl)azanium bromide,CC[N+](CC)(CC)CC=C.[Br-],"InChI=1S/C9H20N.BrH/c1-5-9-10(6-2,7-3)8-4;/h5H,1,6-9H2,2-4H3;1H/q+1;/p-1",BDRVEARQBLPFIP-UHFFFAOYSA-M,C9H20BrN,222.17,221.07791,,0,84,0,0,1,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 1,1'-(2-((3-((1-OXO-2-PROPEN-1-YL)OXY)-2,2-BIS(((1-OXO-2-PROPEN-1-YL)OXY)METHYL)PROPOXY)METHYL)-2-(((1-OXO-2-PROPEN-1-YL)OXY)METHYL)-1,3-PROPANEDIYL) ESTER",029570-58-9,122409,"[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate",C=CC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,"InChI=1S/C28H34O13/c1-7-21(29)36-15-27(16-37-22(30)8-2,17-38-23(31)9-3)13-35-14-28(18-39-24(32)10-4,19-40-25(33)11-5)20-41-26(34)12-6/h7-12H,1-6,13-20H2",MPIAGWXWVAHQBB-UHFFFAOYSA-N,C28H34O13,578.6,578.1999411,3.2,167,824,0,0,13,28,41,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"ETHANOL, 2-(DIMETHYLAMINO)-, [R-(R*,R*)]-2,3-DIHYDROXYBUTANEDIOATE (SALT)",029870-28-8,16212495,"(2R,3R)-2,3-dihydroxybutanedioic acid;2-(dimethylamino)ethanol",CN(C)CCO.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C4H11NO.C4H6O6/c1-5(2)3-4-6;5-1(3(7)8)2(6)4(9)10/h6H,3-4H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1",UIEGYKVRCKDVKQ-LREBCSMRSA-N,C8H17NO7,239.22,239.1005019,,139,163,0,5,8,5,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-GLUTAMIC ACID, N-(1-OXODODECYL)-, MONOSODIUM SALT",029923-31-7,23668603,sodium (2S)-2-(dodecanoylamino)-5-hydroxy-5-oxopentanoate,CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)[O-].[Na+],"InChI=1S/C17H31NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-15(19)18-14(17(22)23)12-13-16(20)21;/h14H,2-13H2,1H3,(H,18,19)(H,20,21)(H,22,23);/q;+1/p-1/t14-;/m0./s1",IWIUXJGIDSGWDN-UQKRIMTDSA-M,C17H30NNaO5,351.4,351.2021673,,107,363,0,2,5,15,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 2-METHYL-, ISODECYL ESTER",029964-84-9,34763,8-methylnonyl 2-methylprop-2-enoate,CC(C)CCCCCCCOC(=O)C(=C)C,"InChI=1S/C14H26O2/c1-12(2)10-8-6-5-7-9-11-16-14(15)13(3)4/h12H,3,5-11H2,1-2,4H3",COCLLEMEIJQBAG-UHFFFAOYSA-N,C14H26O2,226.35,226.1932801,5.8,26.3,207,0,0,2,10,16,"249.8 °F (NTP, 1992)","259 °F at 10 mmHg (NTP, 1992)",0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
BROMOTRIFLUOROETHANE (C2 H2 F3 BR),030283-91-1,67898,"2-bromo-1,1,1-trifluoroethane",C(C(F)(F)F)Br,"InChI=1S/C2H2BrF3/c3-1-2(4,5)6/h1H2",TZNJHEHAYZJBHR-UHFFFAOYSA-N,C2H2BrF3,162.94,161.9292,2.1,0,38,0,0,3,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-OCTADIENAL, (E,E)-",030361-28-5,5283329,"(2E,4E)-octa-2,4-dienal",CCC/C=C/C=C/C=O,"InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h4-8H,2-3H2,1H3/b5-4+,7-6+",DVVATNQISMINCX-YTXTXJHMSA-N,C8H12O,124.18,124.088815,2.2,17.1,112,0,0,1,4,9,,67.00 °C. @ 0.40 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,4-UNDECADIENAL, (E,E)-",030361-29-6,5367531,"(2E,4E)-undeca-2,4-dienal",CCCCCC/C=C/C=C/C=O,"InChI=1S/C11H18O/c1-2-3-4-5-6-7-8-9-10-11-12/h7-11H,2-6H2,1H3/b8-7+,10-9+",UVIUIIFPIWRILL-XBLVEGMJSA-N,C11H18O,166.26,166.1357652,3.8,17.1,145,0,0,1,7,12,,129.00 °C. @ 13.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"9,12-TETRADECADIEN-1-OL, ACETATE, (E,Z)-",030507-70-1,5365642,"[(9Z,12E)-tetradeca-9,12-dienyl] acetate",C/C=C/C/C=C\CCCCCCCCOC(=O)C,"InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-4,6-7H,5,8-15H2,1-2H3/b4-3+,7-6-",ZZGJZGSVLNSDPG-FDTUMDBZSA-N,C16H28O2,252.39,252.2089301,5.3,26.3,241,0,0,2,12,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"9,11-TETRADECADIEN-1-OL, ACETATE, (Z,E)-",030562-09-5,6436668,"[(9E,11Z)-tetradeca-9,11-dienyl] acetate",CC/C=C\C=C\CCCCCCCCOC(=O)C,"InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-7H,3,8-15H2,1-2H3/b5-4-,7-6+",RFEQLTBBKNKGGJ-SCFJQAPRSA-N,C16H28O2,252.39,252.2089301,5.4,26.3,241,0,0,2,12,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPEN-1-AMINE, N-[3-(TRIMETHOXYSILYL)PROPYL]-",031024-46-1,169237,N-prop-2-enyl-3-trimethoxysilylpropan-1-amine,CO[Si](CCCNCC=C)(OC)OC,"InChI=1S/C9H21NO3Si/c1-5-7-10-8-6-9-14(11-2,12-3)13-4/h5,10H,1,6-9H2,2-4H3",UBVMBXTYMSRUDX-UHFFFAOYSA-N,C9H21NO3Si,219.35,219.1290701,,39.7,143,0,1,4,9,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, MONO(2-ETHYLHEXYL) ESTER, SODIUM SALT",031044-12-9,23681165,sodium 2-ethylhexyl hydrogen phosphate,CCCCC(CC)COP(=O)(O)[O-].[Na+],"InChI=1S/C8H19O4P.Na/c1-3-5-6-8(4-2)7-12-13(9,10)11;/h8H,3-7H2,1-2H3,(H2,9,10,11);/q;+1/p-1",FFXZJJYYSMVVIQ-UHFFFAOYSA-M,C8H18NaO4P,232.19,232.0840403,,69.6,177,0,1,4,7,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"D-GLUCO-HEPTONIC ACID, MONOSODIUM SALT, (2.XI.)-",031138-65-5,23707505,"sodium (3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate",C([C@H]([C@H]([C@@H]([C@H](C(C(=O)[O-])O)O)O)O)O)O.[Na+],"InChI=1S/C7H14O8.Na/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/q;+1/p-1/t2-,3-,4+,5-,6?;/m1./s1",FMYOMWCQJXWGEN-BMZZJELJSA-M,C7H13NaO8,248.16,248.0508117,,162,213,0,6,8,6,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"HEXANOIC ACID, 3-HEXENYL ESTER, (Z)-",031501-11-8,5352543,[(Z)-hex-3-enyl] hexanoate,CCCCCC(=O)OCC/C=C\CC,"InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3/b7-5-",RGACQXBDYBCJCY-ALCCZGGFSA-N,C12H22O2,198.3,198.1619799,3.8,26.3,162,0,0,2,9,14,,115.00 °C. @ 15.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NEODECANOIC ACID, SODIUM SALT",031548-27-3,23689130,"sodium 7,7-dimethyloctanoate",CC(C)(C)CCCCCC(=O)[O-].[Na+],"InChI=1S/C10H20O2.Na/c1-10(2,3)8-6-4-5-7-9(11)12;/h4-8H2,1-3H3,(H,11,12);/q;+1/p-1",CASCCINXYVTVRI-UHFFFAOYSA-M,C10H19NaO2,194.25,194.1282741,,40.1,138,0,0,2,6,13,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-(3-CARBOXY-1-OXOPROPYL)-.OMEGA.-METHOXY-",031961-02-1,245422,4-(2-methoxyethoxy)-4-oxobutanoic acid,COCCOC(=O)CCC(=O)O,"InChI=1S/C7H12O5/c1-11-4-5-12-7(10)3-2-6(8)9/h2-5H2,1H3,(H,8,9)",CKCOHXVHUGFEHI-UHFFFAOYSA-N,C7H12O5,176.17,176.0684735,-0.6,72.8,154,0,1,5,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CARBONIC ACID, BARIUM STRONTIUM SALT",032915-78-9,169480,strontium;barium(2+);dicarbonate,C(=O)([O-])[O-].C(=O)([O-])[O-].[Sr+2].[Ba+2],"InChI=1S/2CH2O3.Ba.Sr/c2*2-1(3)4;;/h2*(H2,2,3,4);;/q;;2*+2/p-4",NEDFZELJKGZAQF-UHFFFAOYSA-J,C2BaO6Sr,344.96,345.780347,,126,18,0,0,6,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEPTADECANOYL CHLORIDE, 16-METHYL-",033144-09-1,118402,16-methylheptadecanoyl chloride,CC(C)CCCCCCCCCCCCCCC(=O)Cl,"InChI=1S/C18H35ClO/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3",LFDKQJVNMJFNGG-UHFFFAOYSA-N,C18H35ClO,302.9,302.2376434,8.9,17.1,213,0,0,1,15,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"3-HEXEN-1-OL, PROPANOATE, (Z)-",033467-74-2,5365049,[(Z)-hex-3-enyl] propanoate,CC/C=C\CCOC(=O)CC,"InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-",LGTLDEUQCOJGFP-WAYWQWQTSA-N,C9H16O2,156.22,156.1150297,2.4,26.3,128,0,0,2,6,11,,180.00 to 182.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BUTENOIC ACID, 4-OXO-4-[[3-(TRIETHOXYSILYL)PROPYL]AMINO]-, (Z)-",033525-68-7,5706563,(Z)-4-oxo-4-(3-triethoxysilylpropylamino)but-2-enoic acid,CCO[Si](CCCNC(=O)/C=C\C(=O)O)(OCC)OCC,"InChI=1S/C13H25NO6Si/c1-4-18-21(19-5-2,20-6-3)11-7-10-14-12(15)8-9-13(16)17/h8-9H,4-7,10-11H2,1-3H3,(H,14,15)(H,16,17)/b9-8-",YSIBYEBNVMDAPN-HJWRWDBZSA-N,C13H25NO6Si,319.43,319.1451141,,94.1,331,0,2,6,12,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"11-HEXADECEN-1-OL, ACETATE, (Z)-",034010-21-4,5364711,[(Z)-hexadec-11-enyl] acetate,CCCC/C=C\CCCCCCCCCCOC(=O)C,"InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h6-7H,3-5,8-17H2,1-2H3/b7-6-",BTKXLQSCEOHKTF-SREVYHEPSA-N,C18H34O2,282.5,282.2558803,6.9,26.3,234,0,0,2,15,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-BUTENETHIOIC ACID, 3-METHYL-, S-(1-METHYLETHYL) ESTER",034365-79-2,118658,S-propan-2-yl 3-methylbut-2-enethioate,CC(C)SC(=O)C=C(C)C,"InChI=1S/C8H14OS/c1-6(2)5-8(9)10-7(3)4/h5,7H,1-4H3",IZVXTRDVESJRTA-UHFFFAOYSA-N,C8H14OS,158.26,158.0765362,2.9,42.4,143,0,0,2,3,10,,236.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-HEXANESULFONAMIDE, N-ETHYL-1,1,2,2,3,3,4,4,5,5,6,6,6-TRIDECAFLUORO-N-(2-HYDR",034455-03-3,118690,"N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(2-hydroxyethyl)hexane-1-sulfonamide",CCN(CCO)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C10H10F13NO3S/c1-2-24(3-4-25)28(26,27)10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21/h25H,2-4H2,1H3",SSGYCIQAXNQIBC-UHFFFAOYSA-N,C10H10F13NO3S,471.24,471.0173805,3.8,66,652,0,1,17,9,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEXANE, 1-CHLORO-6-IODO-",034683-73-3,118713,1-chloro-6-iodohexane,C(CCCI)CCCl,InChI=1S/C6H12ClI/c7-5-3-1-2-4-6-8/h1-6H2,QTJHNJCILMMRIQ-UHFFFAOYSA-N,C6H12ClI,246.52,245.96723,4.4,0,39,0,0,0,5,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N,N-TRIMETHYL-3-(TRIMETHOXYSILYL)PROPANAMINIUM CHLORIDE",035141-36-7,94462,trimethyl(3-trimethoxysilylpropyl)azanium chloride,C[N+](C)(C)CCC[Si](OC)(OC)OC.[Cl-],"InChI=1S/C9H24NO3Si.ClH/c1-10(2,3)8-7-9-14(11-4,12-5)13-6;/h7-9H2,1-6H3;1H/q+1;/p-1",FYZFRYWTMMVDLR-UHFFFAOYSA-M,C9H24ClNO3Si,257.83,257.1213979,,27.7,146,0,0,4,7,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-HEXENAL, 5-METHYL-2-(1-METHYLETHYL)-",035158-25-9,37066,5-methyl-2-propan-2-ylhex-2-enal,CC(C)CC=C(C=O)C(C)C,"InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h6-9H,5H2,1-4H3",IOLQAHFPDADCHJ-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,2.9,17.1,143,0,0,1,4,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, HYDROXY-, MONOAMMONIUM SALT",035249-89-9,169677,azanium 2-hydroxyacetate,C(C(=O)[O-])O.[NH4+],"InChI=1S/C2H4O3.H3N/c3-1-2(4)5;/h3H,1H2,(H,4,5);1H3",UBKBVPONTPMQQW-UHFFFAOYSA-N,C2H7NO3,93.08,93.04259309,,61.4,34,0,2,3,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"OCTADECANAMIDE, N-(2-HYDROXYPROPYL)-",035627-96-4,118247,N-(2-hydroxypropyl)octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCC(C)O,"InChI=1S/C21H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)22-19-20(2)23/h20,23H,3-19H2,1-2H3,(H,22,24)",QCTVGFNUKWXQNN-UHFFFAOYSA-N,C21H43NO2,341.6,341.3293796,7.7,49.3,269,0,2,2,18,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHONIC ACID, [[(PHOSPHONOMETHYL)IMINO]BIS[6,1-HEXANEDIYLNITRILOBIS(METHYLE",035657-77-3,161882,sodium [bis[6-[bis(phosphonomethyl)amino]hexyl]amino]methylphosphonic acid,C(CCCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O.[Na+],"InChI=1S/C17H44N3O15P5.Na/c21-36(22,23)13-18(9-5-1-3-7-11-19(14-37(24,25)26)15-38(27,28)29)10-6-2-4-8-12-20(16-39(30,31)32)17-40(33,34)35;/h1-17H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35);/q;+1",JVSATRWQUPAOHA-UHFFFAOYSA-N,C17H44N3NaO15P5+,708.4,708.135822,,297,846,1,10,18,24,41,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"TETRADECANE, 1,14-DIBROMO-",037688-96-3,169955,"1,14-dibromotetradecane",C(CCCCCCCBr)CCCCCCBr,InChI=1S/C14H28Br2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h1-14H2,SDENLXLNLFKRAR-UHFFFAOYSA-N,C14H28Br2,356.18,356.05373,7.5,0,101,0,0,0,13,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"8-DODECEN-1-OL, ACETATE, (E)-",038363-29-0,5363237,[(E)-dodec-8-enyl] acetate,CCC/C=C/CCCCCCCOC(=O)C,"InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h5-6H,3-4,7-13H2,1-2H3/b6-5+",SUCYDSJQVVGOIW-AATRIKPKSA-N,C14H26O2,226.35,226.1932801,4.8,26.3,185,0,0,2,11,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"5-DECEN-1-OL, ACETATE, (E)-",038421-90-8,5363095,[(E)-dec-5-enyl] acetate,CCCC/C=C/CCCCOC(=O)C,"InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h6-7H,3-5,8-11H2,1-2H3/b7-6+",VTUFOIHYMMMNOM-VOTSOKGWSA-N,C12H22O2,198.3,198.1619799,3.7,26.3,162,0,0,2,9,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-HEXANEDIONE, 2,5-DIBROMO-",039081-91-9,162361,"2,5-dibromohexane-3,4-dione",CC(C(=O)C(=O)C(C)Br)Br,"InChI=1S/C6H8Br2O2/c1-3(7)5(9)6(10)4(2)8/h3-4H,1-2H3",QISBUOBKMZFWRW-UHFFFAOYSA-N,C6H8Br2O2,271.93,271.88706,2,34.1,138,0,0,2,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-PENTACOSAFLUORO-1-TETRADECANOL",039239-77-5,162368,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecan-1-ol",C(CO)C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C14H5F25O/c15-3(16,1-2-40)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h40H,1-2H2",QBBJBWKVSJWYQK-UHFFFAOYSA-N,C14H5F25O,664.15,663.9941188,8.4,20.2,909,0,1,26,12,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SILANAMINE, N-[DIMETHYL(3,3,3-TRIFLUOROPROPYL)SILYL]-1,1-DIMETHYL-1-(3,3,3-TRI",039482-87-6,170213,"3-[[[dimethyl(3,3,3-trifluoropropyl)silyl]amino]-dimethylsilyl]-1,1,1-trifluoropropane",C[Si](C)(CCC(F)(F)F)N[Si](C)(C)CCC(F)(F)F,"InChI=1S/C10H21F6NSi2/c1-18(2,7-5-9(11,12)13)17-19(3,4)8-6-10(14,15)16/h17H,5-8H2,1-4H3",ITRFWRDOAWGZFV-UHFFFAOYSA-N,C10H21F6NSi2,325.44,325.1116717,,12,257,0,1,7,6,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANEDIOIC ACID, (2-METHYLPROPYL)-, DIMETHYL ESTER",039520-24-6,170218,dimethyl 2-(2-methylpropyl)propanedioate,CC(C)CC(C(=O)OC)C(=O)OC,"InChI=1S/C9H16O4/c1-6(2)5-7(8(10)12-3)9(11)13-4/h6-7H,5H2,1-4H3",GAZFDPSEEIVCEX-UHFFFAOYSA-N,C9H16O4,188.22,188.104859,1.9,52.6,170,0,0,4,6,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
9-DECENAL,039770-05-3,162392,dec-9-enal,C=CCCCCCCCC=O,"InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h2,10H,1,3-9H2",AKMSQWLDTSOVME-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,3.3,17.1,97,0,0,1,8,11,,211.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"OCTANENITRILE, 3,7-DIMETHYL-",040188-41-8,170284,"3,7-dimethyloctanenitrile",CC(C)CCCC(C)CC#N,"InChI=1S/C10H19N/c1-9(2)5-4-6-10(3)7-8-11/h9-10H,4-7H2,1-3H3",SAPMLSXAXRULJB-UHFFFAOYSA-N,C10H19N,153.26,153.1517496,3.7,23.8,129,0,0,1,5,11,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"ACETIC ACID, ISONONYL ESTER",040379-24-6,42745,"3,5,5-trimethylhexyl acetate",CC(CCOC(=O)C)CC(C)(C)C,"InChI=1S/C11H22O2/c1-9(8-11(3,4)5)6-7-13-10(2)12/h9H,6-8H2,1-5H3",DGKXDLCVQSQVBC-UHFFFAOYSA-N,C11H22O2,186.29,186.1619799,3.5,26.3,156,0,0,2,6,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"8-DODECEN-1-OL, (Z)-",040642-40-8,5283295,(Z)-dodec-8-en-1-ol,CCC/C=C\CCCCCCCO,"InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h4-5,13H,2-3,6-12H2,1H3/b5-4-",YEQONIQGGSENJQ-PLNGDYQASA-N,C12H24O,184.32,184.1827154,4.2,20.2,108,0,1,1,9,13,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANOIC ACID, 4-METHOXY-3-OXO-, METHYL ESTER",041051-15-4,123500,methyl 4-methoxy-3-oxobutanoate,COCC(=O)CC(=O)OC,"InChI=1S/C6H10O4/c1-9-4-5(7)3-6(8)10-2/h3-4H2,1-2H3",QGBPKJFJAVDUNC-UHFFFAOYSA-N,C6H10O4,146.14,146.0579088,-0.1,52.6,130,0,0,4,5,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-NONADIENAL, 3,7-DIMETHYL-",041448-29-7,5364526,"(2E,6E)-3,7-dimethylnona-2,6-dienal",CC/C(=C/CC/C(=C/C=O)/C)/C,"InChI=1S/C11H18O/c1-4-10(2)6-5-7-11(3)8-9-12/h6,8-9H,4-5,7H2,1-3H3/b10-6+,11-8+",BCEQJZNLIKMDEU-NSJFVGFPSA-N,C11H18O,166.26,166.1357652,3.5,17.1,187,0,0,1,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PALLADATE(2-), TETRABROMO-, DISODIUM, (SP-4-1)-",050495-13-1,170845,disodium;palladium(2+);tetrabromide,[Na+].[Na+].[Br-].[Br-].[Br-].[Br-].[Pd+2],InChI=1S/4BrH.2Na.Pd/h4*1H;;;/q;;;;2*+1;+2/p-4,MPLXAXBUDPGDHC-UHFFFAOYSA-J,Br4Na2Pd,472.02,471.55227,,0,0,0,0,4,0,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"9,11-TETRADECADIEN-1-OL, ACETATE, (E,Z)-",050767-79-8,6441057,"[(9Z,11E)-tetradeca-9,11-dienyl] acetate",CC/C=C/C=C\CCCCCCCCOC(=O)C,"InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-7H,3,8-15H2,1-2H3/b5-4+,7-6-",RFEQLTBBKNKGGJ-DEQVHDEQSA-N,C16H28O2,252.39,252.2089301,5.4,26.3,241,0,0,2,12,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CARBONIC ACID, 1-CHLOROETHYL ETHYL ESTER",050893-36-2,162095,1-chloroethyl ethyl carbonate,CCOC(=O)OC(C)Cl,"InChI=1S/C5H9ClO3/c1-3-8-5(7)9-4(2)6/h4H,3H2,1-2H3",YVRGKFXJZCTTRB-UHFFFAOYSA-N,C5H9ClO3,152.57,152.0240218,2,35.5,94,0,0,3,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"7,11-HEXADECADIEN-1-OL, ACETATE",050933-33-0,5363265,"[(7Z,11Z)-hexadeca-7,11-dienyl] acetate",CCCC/C=C\CC/C=C\CCCCCCOC(=O)C,"InChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h6-7,10-11H,3-5,8-9,12-17H2,1-2H3/b7-6-,11-10-",BXJHOKLLMOYSRQ-QOXWLJPHSA-N,C18H32O2,280.4,280.2402303,6,26.3,267,0,0,2,14,20,,130-132 °C,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N,N-TRIMETHYL-3-((2-METHYL-1-OXO-2-PROPENYL)AMINO)-1-PROPANAMINIUM CHLORI",051410-72-1,106428,trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride,CC(=C)C(=O)NCCC[N+](C)(C)C.[Cl-],"InChI=1S/C10H20N2O.ClH/c1-9(2)10(13)11-7-6-8-12(3,4)5;/h1,6-8H2,2-5H3;1H",UZNHKBFIBYXPDV-UHFFFAOYSA-N,C10H21ClN2O,220.74,220.134241,,29.1,192,0,1,2,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-DECYL-.OMEGA.-HYDROXY-, PHOSPHATE",052019-36-0,104057,2-decoxyethanol;phosphoric acid,CCCCCCCCCCOCCO.OP(=O)(O)O,"InChI=1S/C12H26O2.H3O4P/c1-2-3-4-5-6-7-8-9-11-14-12-10-13;1-5(2,3)4/h13H,2-12H2,1H3;(H3,1,2,3,4)",DKELNUBFYRNPMB-UHFFFAOYSA-N,C12H29O6P,300.33,300.1701756,,107,144,0,4,6,11,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"AURATE(1-), TETRABROMO-, SODIUM, (SP-4-1)-",052495-41-7,25137889,sodium tetrabromogold(1-),[Na+].Br[Au-](Br)(Br)Br,InChI=1S/Au.4BrH.Na/h;4*1H;/q+3;;;;;+1/p-4,PMPPMRNISYJZFW-UHFFFAOYSA-J,AuBr4Na,539.57,539.62559,,0,19,0,0,1,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DODECADIENOIC ACID, 11-METHOXY-3,7,11-TRIMETHYL-, (E,E)-(.+-.)-",053092-52-7,5353760,"(2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid",CC(CCCC(C)(C)OC)C/C=C/C(=C/C(=O)O)/C,"InChI=1S/C16H28O3/c1-13(10-7-11-16(3,4)19-5)8-6-9-14(2)12-15(17)18/h6,9,12-13H,7-8,10-11H2,1-5H3,(H,17,18)/b9-6+,14-12+",MNYBEULOKRVZKY-TZOAMJEDSA-N,C16H28O3,268.39,268.2038448,4.4,46.5,327,0,1,3,9,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,13-OCTADECADIEN-1-OL, ACETATE, (E,Z)-",053120-26-6,5363259,"[(3E,13Z)-octadeca-3,13-dienyl] acetate",CCCC/C=C\CCCCCCCC/C=C/CCOC(=O)C,"InChI=1S/C20H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h6-7,16-17H,3-5,8-15,18-19H2,1-2H3/b7-6-,17-16+",VVJPJXKHBZNADP-ZSTZHTMOSA-N,C20H36O2,308.5,308.2715304,7.5,26.3,292,0,0,2,16,22,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"3,13-OCTADECADIEN-1-OL, ACETATE, (Z,Z)-",053120-27-7,5363260,"[(3Z,13Z)-octadeca-3,13-dienyl] acetate",CCCC/C=C\CCCCCCCC/C=C\CCOC(=O)C,"InChI=1S/C20H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h6-7,16-17H,3-5,8-15,18-19H2,1-2H3/b7-6-,17-16-",VVJPJXKHBZNADP-DNNFRFAMSA-N,C20H36O2,308.5,308.2715304,7.5,26.3,292,0,0,2,16,22,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANOIC ACID, 2-HEXENYL ESTER, (E)-",053398-83-7,5352461,[(E)-hex-2-enyl] butanoate,CCC/C=C/COC(=O)CCC,"InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+",PCGACKLJNBBQGM-VOTSOKGWSA-N,C10H18O2,170.25,170.1306798,2.8,26.3,139,0,0,2,7,12,,191.00 to 193.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-METHYL-, 2-(SULFOOXY)ETHYL ESTER, AMMONIUM SALT",053621-34-4,104548,azane;2-sulfooxyethyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCOS(=O)(=O)O.N,"InChI=1S/C6H10O6S.H3N/c1-5(2)6(7)11-3-4-12-13(8,9)10;/h1,3-4H2,2H3,(H,8,9,10);1H3",WCDLJSPFRWZKPF-UHFFFAOYSA-N,C6H13NO6S,227.24,227.0463583,,99.3,285,0,2,7,6,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"8,10-DODECADIEN-1-OL, ACETATE, (E,E)-",053880-51-6,1747818,"[(8E,10E)-dodeca-8,10-dienyl] acetate",C/C=C/C=C/CCCCCCCOC(=O)C,"InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-6H,7-13H2,1-2H3/b4-3+,6-5+",NTKDSWPSEFZZOZ-VNKDHWASSA-N,C14H24O2,224.34,224.17763,4.4,26.3,217,0,0,2,10,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
".BETA.-ALANINE, N-(3-CHLOROPROPYL)-N-(3-ETHOXY-3-OXOPROPYL)-, ETHYLESTER",053935-67-4,104651,ethyl 3-[3-chloropropyl-(3-ethoxy-3-oxopropyl)amino]propanoate,CCOC(=O)CCN(CCCCl)CCC(=O)OCC,"InChI=1S/C13H24ClNO4/c1-3-18-12(16)6-10-15(9-5-8-14)11-7-13(17)19-4-2/h3-11H2,1-2H3",RQSSPYOYPHMNPB-UHFFFAOYSA-N,C13H24ClNO4,293.79,293.1393859,1.6,55.8,239,0,0,5,13,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"7,9-DODECADIEN-1-OL, ACETATE, (Z,E)-",054364-62-4,1794807,"[(7E,9Z)-dodeca-7,9-dienyl] acetate",CC/C=C\C=C\CCCCCCOC(=O)C,"InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h4-7H,3,8-13H2,1-2H3/b5-4-,7-6+",LLRZUAWETKPZJO-SCFJQAPRSA-N,C14H24O2,224.34,224.17763,4.3,26.3,217,0,0,2,10,16,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"9,11-TETRADECADIEN-1-OL, ACETATE, (E,E)-",054664-98-1,6115849,"[(9E,11E)-tetradeca-9,11-dienyl] acetate",CC/C=C/C=C/CCCCCCCCOC(=O)C,"InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-7H,3,8-15H2,1-2H3/b5-4+,7-6+",RFEQLTBBKNKGGJ-YTXTXJHMSA-N,C16H28O2,252.39,252.2089301,5.4,26.3,241,0,0,2,12,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"DODECANAMIDE, N,N-BIS(2-HYDROXYPROPYL)-",054914-38-4,108266,"N,N-bis(2-hydroxypropyl)dodecanamide",CCCCCCCCCCCC(=O)N(CC(C)O)CC(C)O,"InChI=1S/C18H37NO3/c1-4-5-6-7-8-9-10-11-12-13-18(22)19(14-16(2)20)15-17(3)21/h16-17,20-21H,4-15H2,1-3H3",ITQLLPIWYFCLTO-UHFFFAOYSA-N,C18H37NO3,315.5,315.277344,4.4,60.8,261,0,2,3,14,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PENTANOIC ACID, 4,4-DIMETHYL-3-OXO-, METHYL ESTER",055107-14-7,99597,"methyl 4,4-dimethyl-3-oxopentanoate",CC(C)(C)C(=O)CC(=O)OC,"InChI=1S/C8H14O3/c1-8(2,3)6(9)5-7(10)11-4/h5H2,1-4H3",XTXCFTMJPRXBBC-UHFFFAOYSA-N,C8H14O3,158.19,158.0942943,1.4,43.4,165,0,0,3,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANOIC ACID, 2,4-DIHYDROXY-3,3-DIMETHYL-, MONOLITHIUM SALT, (.+-.)-",055289-50-4,23668631,"lithium 2,4-dihydroxy-3,3-dimethylbutanoate",[Li+].CC(C)(CO)C(C(=O)[O-])O,"InChI=1S/C6H12O4.Li/c1-6(2,3-7)4(8)5(9)10;/h4,7-8H,3H2,1-2H3,(H,9,10);/q;+1/p-1",SHALEYHZRCFWGT-UHFFFAOYSA-M,C6H11LiO4,154.1,154.0817373,,80.6,135,0,2,4,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-DECEN-1-OL, (E)-",056578-18-8,5283292,(E)-dec-5-en-1-ol,CCCC/C=C/CCCCO,"InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h5-6,11H,2-4,7-10H2,1H3/b6-5+",WYPQHXVMNVEVEB-AATRIKPKSA-N,C10H20O,156.26,156.1514153,3.1,20.2,86,0,1,1,7,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANOL, 2-AMINO-, SULFATE (SALT)",056633-27-3,162801,2-aminoethanol;sulfuric acid,C(CO)N.OS(=O)(=O)O,"InChI=1S/C2H7NO.H2O4S/c3-1-2-4;1-5(2,3)4/h4H,1-3H2;(H2,1,2,3,4)",IQGWPPQNIZBTBM-UHFFFAOYSA-N,C2H9NO5S,159.16,159.0201436,,129,91,0,4,6,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,6-OCTADIENAL, (E,E)-",056767-18-1,6365761,"(2E,6E)-octa-2,6-dienal",C/C=C/CC/C=C/C=O,"InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h2-3,6-8H,4-5H2,1H3/b3-2+,7-6+",CBXNRMOWVZUZQA-BLWKUPHCSA-N,C8H12O,124.18,124.088815,1.8,17.1,112,0,0,1,4,9,,97.00 to 99.00 °C. @ 4.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"4-DECEN-1-OL, (Z)-",057074-37-0,5362798,(Z)-dec-4-en-1-ol,CCCCC/C=C\CCCO,"InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h6-7,11H,2-5,8-10H2,1H3/b7-6-",VUNFOJWKJSYIDH-SREVYHEPSA-N,C10H20O,156.26,156.1514153,3.3,20.2,86,0,1,1,7,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
8-UNDECENAL,058296-81-4,94014,undec-8-enal,CCC=CCCCCCCC=O,"InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h3-4,11H,2,5-10H2,1H3",DWQXOILNGUCNSH-UHFFFAOYSA-N,C11H20O,168.28,168.1514153,3.4,17.1,116,0,0,1,8,12,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"SILANE, DODECYLDIETHOXYMETHYL-",060317-40-0,108922,dodecyl-diethoxy-methylsilane,CCCCCCCCCCCC[Si](C)(OCC)OCC,"InChI=1S/C17H38O2Si/c1-5-8-9-10-11-12-13-14-15-16-17-20(4,18-6-2)19-7-3/h5-17H2,1-4H3",AILBOMWJRYLVFG-UHFFFAOYSA-N,C17H38O2Si,302.6,302.264107,,18.5,191,0,0,2,15,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Hexenoic acid, 4-amino-",060643-86-9,5665,4-aminohex-5-enoic acid,C=CC(CCC(=O)O)N,"InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)",PJDFLNIOAUIZSL-UHFFFAOYSA-N,C6H11NO2,129.16,129.0789786,-2.2,63.3,112,0,2,3,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TRISILOXANE, 3-METHYL-1,1,1,5,5,5-HEXAKIS(1-METHYLPROPOXY)-3-[[TRIS(1-METHYLPR",060711-47-9,108495,tributan-2-yl [methyl-bis[tri(butan-2-yloxy)silyloxy]silyl] silicate,CCC(C)O[Si](OC(C)CC)(OC(C)CC)O[Si](C)(O[Si](OC(C)CC)(OC(C)CC)OC(C)CC)O[Si](OC(C)CC)(OC(C)CC)OC(C)CC,"InChI=1S/C37H84O12Si4/c1-20-29(10)38-51(39-30(11)21-2,40-31(12)22-3)47-50(19,48-52(41-32(13)23-4,42-33(14)24-5)43-34(15)25-6)49-53(44-35(16)26-7,45-36(17)27-8)46-37(18)28-9/h29-37H,20-28H2,1-19H3",JTMGSJWZRADOSX-UHFFFAOYSA-N,C37H84O12Si4,833.4,832.5039843,,111,734,0,0,12,33,53,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NONENAL, (Z)-",060784-31-8,5354833,(Z)-non-2-enal,CCCCCC/C=C\C=O,"InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7-",BSAIUMLZVGUGKX-FPLPWBNLSA-N,C9H16O,140.22,140.1201151,3.1,17.1,94,0,0,1,6,10,,188.00 to 190.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"TITANIUM, TRIS(DIOCTYL PHOSPHATO-O')(2-PROPANOLATO)-, (T-4)-",061436-47-3,14513237,tris(dioctyl phosphate);propan-2-olate;titanium(4+),CCCCCCCCOP(=O)([O-])OCCCCCCCC.CCCCCCCCOP(=O)([O-])OCCCCCCCC.CCCCCCCCOP(=O)([O-])OCCCCCCCC.CC(C)[O-].[Ti+4],"InChI=1S/3C16H35O4P.C3H7O.Ti/c3*1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2;1-3(2)4;/h3*3-16H2,1-2H3,(H,17,18);3H,1-2H3;/q;;;-1;+4/p-3",OGNLKFGIUIQTNN-UHFFFAOYSA-K,C51H109O13P3Ti,1071.2,1070.656045,,199,239,0,0,13,48,68,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANOIC ACID, 2-HYDROXY-, 3-HEXENYL ESTER, (Z)-",061931-81-5,5364231,[(Z)-hex-3-enyl] 2-hydroxypropanoate,CC/C=C\CCOC(=O)C(C)O,"InChI=1S/C9H16O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5,8,10H,3,6-7H2,1-2H3/b5-4-",NNLLMULULOBXBY-PLNGDYQASA-N,C9H16O3,172.22,172.1099444,1.6,46.5,152,0,1,3,6,12,,71.00 °C. @ 0.70 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TITANATE(2-), TETRAKIS[2,2-BIS[(2-PROPENYLOXY)METHYL]-1-BUTANOLATO-O1]BIS(DITR",064157-14-8,168006380,"tetrakis(2,2-bis(prop-2-enoxymethyl)butan-1-olate);bis(ditridecyl phosphite);hydron;titanium(4+)",[H+].CCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCCC.CCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCCC.CCC(C[O-])(COCC=C)COCC=C.CCC(C[O-])(COCC=C)COCC=C.CCC(C[O-])(COCC=C)COCC=C.CCC(C[O-])(COCC=C)COCC=C.[Ti+4],"InChI=1S/2C26H54O3P.4C12H21O3.Ti/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-28-30(27)29-26-24-22-20-18-16-14-12-10-8-6-4-2;4*1-4-7-14-10-12(6-3,9-13)11-15-8-5-2;/h2*3-26H2,1-2H3;4*4-5H,1-2,6-11H2,3H3;/q6*-1;+4/p+1",WJPBTXHXCOCGAW-UHFFFAOYSA-O,C100H193O18P2Ti-,1793.4,1793.317514,,249,1700,-1,1,18,98,121,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TITANATE(2-), BIS(DIDODECYL PHOSPHITO-O')TETRAKIS(2-PROPANOLATO)-,DIHYDROGEN",064157-15-9,116558,bis(ditridecyl phosphite);hydron;tetrakis(propan-2-olate);titanium(4+),[H+].[H+].CCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCCC.CCCCCCCCCCCCCOP([O-])OCCCCCCCCCCCCC.CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4],"InChI=1S/2C26H54O3P.4C3H7O.Ti/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-28-30(27)29-26-24-22-20-18-16-14-12-10-8-6-4-2;4*1-3(2)4;/h2*3-26H2,1-2H3;4*3H,1-2H3;/q6*-1;+4/p+2",BGPFWYLWWRUMAE-UHFFFAOYSA-P,C64H138O10P2Ti,1177.6,1176.924465,,175,775,0,2,10,58,77,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-TETRADECENAL,064461-99-0,116625,tetradec-2-enal,CCCCCCCCCCCC=CC=O,"InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h12-14H,2-11H2,1H3",WHOZNOZYMBRCBL-UHFFFAOYSA-N,C14H26O,210.36,210.1983654,5.9,17.1,149,0,0,1,11,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"L-CYSTINE, DISODIUM SALT",064704-23-0,21119610,disodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxylatoethyl]disulfanyl]propanoate,C([C@@H](C(=O)[O-])N)SSC[C@@H](C(=O)[O-])N.[Na+].[Na+],"InChI=1S/C6H12N2O4S2.2Na/c7-3(5(9)10)1-13-14-2-4(8)6(11)12;;/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);;/q;2*+1/p-2/t3-,4-;;/m0../s1",PLVPMKWGXOOSKL-RGVONZFCSA-L,C6H10N2Na2O4S2,284.3,283.9877377,,183,181,0,2,8,5,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DECANAL, 2-ETHYLIDENE-",064825-20-3,103460,2-ethylidenedecanal,CCCCCCCCC(=CC)C=O,"InChI=1S/C12H22O/c1-3-5-6-7-8-9-10-12(4-2)11-13/h4,11H,3,5-10H2,1-2H3",PGYTZFGVMAOYMQ-UHFFFAOYSA-N,C12H22O,182.3,182.1670653,4.6,17.1,147,0,0,1,8,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANEDIOIC ACID, SULFO-, 1-[2-[(12-HYDROXY-1-OXO-9-OCTADECENYL)AMINO]ETHYL] E",065277-54-5,6436984,disodium;4-[2-[[(E)-12-hydroxyoctadec-9-enoyl]amino]ethoxy]-4-oxo-3-sulfonatobutanoate,CCCCCCC(C/C=C/CCCCCCCC(=O)NCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+],"InChI=1S/C24H43NO9S.2Na/c1-2-3-4-11-14-20(26)15-12-9-7-5-6-8-10-13-16-22(27)25-17-18-34-24(30)21(19-23(28)29)35(31,32)33;;/h9,12,20-21,26H,2-8,10-11,13-19H2,1H3,(H,25,27)(H,28,29)(H,31,32,33);;/q;2*+1/p-2/b12-9+;;",LRBYMRRGKYPBDR-ANOGCNOSSA-L,C24H41NNa2O9S,565.6,565.2297416,,181,713,0,2,9,21,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"6-OCTEN-1-OL, 3,7-DIMETHYL-, ACETATE, (S)-",067601-05-2,6999975,"[(3S)-3,7-dimethyloct-6-enyl] acetate",C[C@@H](CCC=C(C)C)CCOC(=O)C,"InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3/t11-/m0/s1",JOZKFWLRHCDGJA-NSHDSACASA-N,C12H22O2,198.3,198.1619799,3.8,26.3,190,0,0,2,7,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"3-DECANONE, 1-HYDROXY-",067633-95-8,105510,1-hydroxydecan-3-one,CCCCCCCC(=O)CCO,"InChI=1S/C10H20O2/c1-2-3-4-5-6-7-10(12)8-9-11/h11H,2-9H2,1H3",XDFCZUMLNOYOCH-UHFFFAOYSA-N,C10H20O2,172.26,172.1463299,2.4,37.3,110,0,1,2,8,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PENTANONE, 3-MERCAPTO-",067633-97-0,62237,3-sulfanylpentan-2-one,CCC(C(=O)C)S,"InChI=1S/C5H10OS/c1-3-5(7)4(2)6/h5,7H,3H2,1-2H3",SZECUQRKLXRGSJ-UHFFFAOYSA-N,C5H10OS,118.2,118.0452361,1.2,18.1,70,0,1,2,2,7,,160.00 to 165.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-NONADIENE, 1,1-DIETHOXY-, (E,Z)-",067674-36-6,6364671,"(2E,6Z)-1,1-diethoxynona-2,6-diene",CC/C=C\CC/C=C/C(OCC)OCC,"InChI=1S/C13H24O2/c1-4-7-8-9-10-11-12-13(14-5-2)15-6-3/h7-8,11-13H,4-6,9-10H2,1-3H3/b8-7-,12-11+",GCIRJCKOUVCUBZ-OFALOCIGSA-N,C13H24O2,212.33,212.17763,3.3,18.5,167,0,0,2,9,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"PHOSPHORIC ACID, MONO(2-ETHYLHEXYL) ESTER, COMPD. WITH TERT-DODECANAMINE",067763-14-8,106783,"9,9-dimethyldecan-1-amine;2-ethylhexyl dihydrogen phosphate",CCCCC(CC)COP(=O)(O)O.CC(C)(C)CCCCCCCCN,"InChI=1S/C12H27N.C8H19O4P/c1-12(2,3)10-8-6-4-5-7-9-11-13;1-3-5-6-8(4-2)7-12-13(9,10)11/h4-11,13H2,1-3H3;8H,3-7H2,1-2H3,(H2,9,10,11)",HXIYQRSWUCAMDF-UHFFFAOYSA-N,C20H46NO4P,395.6,395.316446,,92.8,268,0,3,5,15,26,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-NONANONE, 3-(HYDROXYMETHYL)-",067801-33-6,106823,3-(hydroxymethyl)nonan-2-one,CCCCCCC(CO)C(=O)C,"InChI=1S/C10H20O2/c1-3-4-5-6-7-10(8-11)9(2)12/h10-11H,3-8H2,1-2H3",DIZUHEORFPDTIQ-UHFFFAOYSA-N,C10H20O2,172.26,172.1463299,2.3,37.3,121,0,1,2,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANAMINIUM, N,N-DIMETHYL-2-[(1-OXOOCTADECYL)OXY]-N-[2-[(1-OXOOCTADECYL)OXY]E",067846-68-8,105818,dimethyl-bis(2-octadecanoyloxyethyl)azanium chloride,CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCCCCCC.[Cl-],"InChI=1S/C42H84NO4.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(44)46-39-37-43(3,4)38-40-47-42(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-40H2,1-4H3;1H/q+1;/p-1",NUCJYHHDSCEKQN-UHFFFAOYSA-M,C42H84ClNO4,702.6,701.6088879,,52.6,611,0,0,5,40,48,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 2-METHYL-, ZIRCONIUM(4+) SALT",067893-01-0,171967,tetrakis(2-methylprop-2-enoate);zirconium(4+),CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].[Zr+4],"InChI=1S/4C4H6O2.Zr/c4*1-3(2)4(5)6;/h4*1H2,2H3,(H,5,6);/q;;;;+4/p-4",TUPMGGHTDIFOMI-UHFFFAOYSA-J,C16H20O8Zr,431.55,430.020516,,161,78,0,0,8,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PENTANE, 3,3-BIS(BROMOMETHYL)-",067969-84-0,106258,"3,3-bis(bromomethyl)pentane",CCC(CC)(CBr)CBr,"InChI=1S/C7H14Br2/c1-3-7(4-2,5-8)6-9/h3-6H2,1-2H3",ZIQNZEFIQWBNHV-UHFFFAOYSA-N,C7H14Br2,257.99,257.94418,3.6,0,61,0,0,0,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-DODECENAL,068083-57-8,106523,dodec-3-enal,CCCCCCCCC=CCC=O,"InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h9-10,12H,2-8,11H2,1H3",HBBONAOKVLYWBI-UHFFFAOYSA-N,C12H22O,182.3,182.1670653,4.4,17.1,127,0,0,1,9,13,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"ETHANAMINE, N-ETHYL-, PHOSPHATE (1:1)",068109-72-8,176222,N-ethylethanamine;phosphoric acid,CCNCC.OP(=O)(O)O,"InChI=1S/C4H11N.H3O4P/c1-3-5-4-2;1-5(2,3)4/h5H,3-4H2,1-2H3;(H3,1,2,3,4)",ASLNLSYDVOWAFS-UHFFFAOYSA-N,C4H14NO4P,171.13,171.0660449,,89.8,60,0,4,5,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CARBONIC ACID, COMPD. WITH 2-AMINO-2-(HYDROXYMETHYL)-1,3-PROPANEDIOL (1:2)",068123-29-5,106647,"bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);carbonic acid",C(C(CO)(CO)N)O.C(C(CO)(CO)N)O.C(=O)(O)O,"InChI=1S/2C4H11NO3.CH2O3/c2*5-4(1-6,2-7)3-8;2-1(3)4/h2*6-8H,1-3,5H2;(H2,2,3,4)",GYQWVHROHDZXRS-UHFFFAOYSA-N,C9H24N2O9,304.3,304.1481804,,231,80,0,10,11,6,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ISOOCTADECANAMIDE, N-[2-[(2-AMINOETHYL)AMINO]ETHYL]-",068133-06-2,109516,N-[2-(2-aminoethylamino)ethyl]-16-methylheptadecanamide,CC(C)CCCCCCCCCCCCCCC(=O)NCCNCCN,"InChI=1S/C22H47N3O/c1-21(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22(26)25-20-19-24-18-17-23/h21,24H,3-20,23H2,1-2H3,(H,25,26)",RKMFMBSBWOHLPQ-UHFFFAOYSA-N,C22H47N3O,369.6,369.3719131,6.3,67.2,295,0,3,3,20,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, BIS(2-ETHYLHEXYL) ESTER, COMPD. WITH TERT-DODECANAMINE (1:1)",068155-99-7,22833399,"bis(2-ethylhexyl) hydrogen phosphate;9,9-dimethyldecan-1-amine",CCCCC(CC)COP(=O)(O)OCC(CC)CCCC.CC(C)(C)CCCCCCCCN,"InChI=1S/C16H35O4P.C12H27N/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;1-12(2,3)10-8-6-4-5-7-9-11-13/h15-16H,5-14H2,1-4H3,(H,17,18);4-11,13H2,1-3H3",HBZGWNIYRGIOLH-UHFFFAOYSA-N,C28H62NO4P,507.8,507.4416465,,81.8,362,0,2,5,22,34,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-DECYL-.OMEGA.-HYDROXY-, PHOSPHATE, SODIUM SA",068186-37-8,23674315,sodium;2-decoxyethanol;dihydrogen phosphate,CCCCCCCCCCOCCO.OP(=O)(O)[O-].[Na+],"InChI=1S/C12H26O2.Na.H3O4P/c1-2-3-4-5-6-7-8-9-11-14-12-10-13;;1-5(2,3)4/h13H,2-12H2,1H3;;(H3,1,2,3,4)/q;+1;/p-1",IPOPMWIDSZCBEN-UHFFFAOYSA-M,C12H28NaO6P,322.31,322.1521199,,110,156,0,3,6,11,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, ISOOCTYL ESTER, SODIUM SALT",068186-56-1,176302,sodium;hydrogen phosphate;6-methylheptan-1-ol,CC(C)CCCCCO.OP(=O)([O-])[O-].[Na+],"InChI=1S/C8H18O.Na.H3O4P/c1-8(2)6-4-3-5-7-9;;1-5(2,3)4/h8-9H,3-7H2,1-2H3;;(H3,1,2,3,4)/q;+1;/p-2",BGDGYNIAISBJHX-UHFFFAOYSA-L,C8H19NaO5P-,249.2,249.08678,,104,97,-1,2,5,5,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
5-DECYN-1-OL,068274-97-5,109957,dec-5-yn-1-ol,CCCCC#CCCCCO,"InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-4,7-10H2,1H3",RNTNGQCWAKHVKO-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,2.9,20.2,126,0,1,1,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SULFUROUS ACID, PALLADIUM(2+) POTASSIUM SALT (2:1:2)",068310-13-4,11963218,dipotassium;palladium(2+);disulfite,[O-]S(=O)[O-].[O-]S(=O)[O-].[K+].[K+].[Pd+2],"InChI=1S/2K.2H2O3S.Pd/c;;2*1-4(2)3;/h;;2*(H2,1,2,3);/q2*+1;;;+2/p-4",DQANBGFHSMNUGH-UHFFFAOYSA-J,K2O6PdS2,344.7,343.74452,,165,18,0,0,8,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9-OCTADECENAMIDE, N-[2-[(2-HYDROXYETHYL)AMINO]ETHYL]-, (Z)-, MONOACETATE (SALT",068310-43-0,6437526,acetic acid;(Z)-N-[2-(2-hydroxyethylamino)ethyl]octadec-9-enamide,CCCCCCCC/C=C\CCCCCCCC(=O)NCCNCCO.CC(=O)O,"InChI=1S/C22H44N2O2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25;1-2(3)4/h9-10,23,25H,2-8,11-21H2,1H3,(H,24,26);1H3,(H,3,4)/b10-9-;",JRYIVRMKRNIHLE-KVVVOXFISA-N,C24H48N2O4,428.6,428.361408,,98.7,350,0,4,5,20,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, ISODECYL ESTER, POTASSIUM SALT",068389-40-2,111569,dipotassium;8-methylnonyl phosphate,CC(C)CCCCCCCOP(=O)([O-])[O-].[K+].[K+],"InChI=1S/C10H23O4P.2K/c1-10(2)8-6-4-3-5-7-9-14-15(11,12)13;;/h10H,3-9H2,1-2H3,(H2,11,12,13);;/q;2*+1/p-2",NCZSRRBODSIEAI-UHFFFAOYSA-L,C10H21K2O4P,314.44,314.0451591,,72.4,176,0,0,4,8,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, MONODECYL ESTER, POTASSIUM SALT",068427-32-7,23668693,potassium decyl hydrogen phosphate,CCCCCCCCCCOP(=O)(O)[O-].[K+],"InChI=1S/C10H23O4P.K/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H2,11,12,13);/q;+1/p-1",DSQQMDYFAZUMFS-UHFFFAOYSA-M,C10H22KO4P,276.35,276.0892777,,69.6,190,0,1,4,10,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"TITANIUM, TRIS(OCTADECANOATO-O)(2-PROPANOLATO)-, (T-4)-",068443-53-8,172133,tris(octadecanoic acid);propan-2-ol;titanium,CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CC(C)O.[Ti],"InChI=1S/3C18H36O2.C3H8O.Ti/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3(2)4;/h3*2-17H2,1H3,(H,19,20);3-4H,1-2H3;",CAQIWIAAHXOQOS-UHFFFAOYSA-N,C57H116O7Ti,961.4,960.8200467,,132,764,0,4,7,48,65,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9-DECEN-1-OL, PROPANOATE",068480-06-8,110365,dec-9-enyl propanoate,CCC(=O)OCCCCCCCCC=C,"InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h3H,1,4-12H2,2H3",HAZMLFDAVHDYKJ-UHFFFAOYSA-N,C13H24O2,212.33,212.17763,4.6,26.3,164,0,0,2,11,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
2-TRIDECEN-1-OL,068480-25-1,110370,tridec-2-en-1-ol,CCCCCCCCCCC=CCO,"InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-12,14H,2-10,13H2,1H3",VPYJHNADOJDSGU-UHFFFAOYSA-N,C13H26O,198.34,198.1983654,5.2,20.2,118,0,1,1,10,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NEODECANOIC ACID, CHROMIUM(3+) SALT",068683-16-9,111513,"chromium(3+);tris(3,3,5,5-tetramethylhexanoate)",CC(C)(C)CC(C)(C)CC(=O)[O-].CC(C)(C)CC(C)(C)CC(=O)[O-].CC(C)(C)CC(C)(C)CC(=O)[O-].[Cr+3],"InChI=1S/3C10H20O2.Cr/c3*1-9(2,3)7-10(4,5)6-8(11)12;/h3*6-7H2,1-5H3,(H,11,12);/q;;;+3/p-3",ZJUZSYOZFGLOCJ-UHFFFAOYSA-K,C30H57CrO6,565.8,565.356019,,120,158,0,0,6,9,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"1,6,10,14-HEXADECATETRAEN-3-OL, 3,7,11,15-TETRAMETHYL-",068931-30-6,92862,"3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol",CC(=CCCC(=CCCC(=CCCC(C)(C=C)O)C)C)C,"InChI=1S/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3",IQDXAJNQKSIPGB-UHFFFAOYSA-N,C20H34O,290.5,290.2609657,6.4,20.2,394,0,1,1,10,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1-TETRADECANOL, PHOSPHATE",069029-24-9,112233,phosphoric acid;tetradecan-1-ol,CCCCCCCCCCCCCCO.OP(=O)(O)O,"InChI=1S/C14H30O.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-5(2,3)4/h15H,2-14H2,1H3;(H3,1,2,3,4)",AHYMGPOCPISKEG-UHFFFAOYSA-N,C14H33O5P,312.38,312.2065612,,98,151,0,4,5,12,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANESULFONIC ACID, 2-[[2-HYDROXY-1,1-BIS(HYDROXYMETHYL)ETHYL]AMINO]-, MONOSO",070331-82-7,23702152,"sodium 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]ethanesulfonate",C(CS(=O)(=O)[O-])NC(CO)(CO)CO.[Na+],"InChI=1S/C6H15NO6S.Na/c8-3-6(4-9,5-10)7-1-2-14(11,12)13;/h7-10H,1-5H2,(H,11,12,13);/q;+1/p-1",GUXMFAHOYNRHBI-UHFFFAOYSA-M,C6H14NNaO6S,251.24,251.0439526,,138,239,0,4,7,7,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SILANE, DIMETHOXYMETHYLOCTADECYL-",070851-50-2,116906,dimethoxy-methyl-octadecylsilane,CCCCCCCCCCCCCCCCCC[Si](C)(OC)OC,"InChI=1S/C21H46O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(4,22-2)23-3/h5-21H2,1-4H3",UBCPEZPOCJYHPM-UHFFFAOYSA-N,C21H46O2Si,358.7,358.3267072,,18.5,242,0,0,2,19,24,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"4,8-DIMETHYL-4,9-DECADIENAL",071077-31-1,116736,"4,8-dimethyldeca-4,9-dienal",CC(CCC=C(C)CCC=O)C=C,"InChI=1S/C12H20O/c1-4-11(2)7-5-8-12(3)9-6-10-13/h4,8,10-11H,1,5-7,9H2,2-3H3",QVEOSYKPYFNQAZ-UHFFFAOYSA-N,C12H20O,180.29,180.1514153,3.5,17.1,180,0,0,1,7,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"5,7-OCTADIEN-2-OL, 2,6-DIMETHYL-, ACETATE",072214-23-4,6112709,"[(5E)-2,6-dimethylocta-5,7-dien-2-yl] acetate",C/C(=C\CCC(C)(C)OC(=O)C)/C=C,"InChI=1S/C12H20O2/c1-6-10(2)8-7-9-12(4,5)14-11(3)13/h6,8H,1,7,9H2,2-5H3/b10-8+",JAVBVYXSVDXAQK-CSKARUKUSA-N,C12H20O2,196.29,196.1463299,3.5,26.3,237,0,0,2,6,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 2-METHYL-, 1,12-DODECANEDIYL ESTER",072829-09-5,175191,12-(2-methylprop-2-enoyloxy)dodecyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1S/C20H34O4/c1-17(2)19(21)23-15-13-11-9-7-5-6-8-10-12-14-16-24-20(22)18(3)4/h1,3,5-16H2,2,4H3",HYQASEVIBPSPMK-UHFFFAOYSA-N,C20H34O4,338.5,338.2457096,6.6,52.6,360,0,0,4,17,24,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"10-UNDECENAL, 2-ETHYLIDENE-",072894-14-5,6441357,(2E)-2-ethylideneundec-10-enal,C/C=C(\CCCCCCCC=C)/C=O,"InChI=1S/C13H22O/c1-3-5-6-7-8-9-10-11-13(4-2)12-14/h3-4,12H,1,5-11H2,2H3/b13-4+",BGAYGLVXLJBTTR-YIXHJXPBSA-N,C13H22O,194.31,194.1670653,4.6,17.1,180,0,0,1,9,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"HEXANOIC ACID, 2-ETHYL-, NEODYMIUM(3+) SALT",073227-23-3,175417,tris(2-ethylhexanoate);neodymium(3+),CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Nd+3],"InChI=1S/3C8H16O2.Nd/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3",QBKTXRLYEHZACW-UHFFFAOYSA-K,C24H45NdO6,573.9,571.22934,,120,93,0,0,6,12,31,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM POLYACRYLATE,076774-25-9,156594549,,CCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C.C=CC(=O)O.C=CC(=O)O.[Na],"InChI=1S/C15H20O6.2C3H4O2.Na/c1-5-12(16)19-9-15(8-4,10-20-13(17)6-2)11-21-14(18)7-3;2*1-2-3(4)5;/h5-7H,1-3,8-11H2,4H3;2*2H,1H2,(H,4,5);",IGXOQBDSESNDFR-UHFFFAOYSA-N,C21H28NaO10,463.4,463.1580164,,154,420,0,2,10,15,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"8-OXA-3,5-DITHIA-4-PHOSPHATETRADECANOIC ACID, 10-ETHYL-4-[[2-[(2-ETHYLHEXYL)OX",083547-95-9,93477,2-ethylhexyl 2-bis[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl]phosphorylsulfanylacetate,CCCCC(CC)COC(=O)CSP(=O)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC,"InChI=1S/C30H57O7PS3/c1-7-13-16-25(10-4)19-35-28(31)22-39-38(34,40-23-29(32)36-20-26(11-5)17-14-8-2)41-24-30(33)37-21-27(12-6)18-15-9-3/h25-27H,7-24H2,1-6H3",VCEOZBZYQYAEMK-UHFFFAOYSA-N,C30H57O7PS3,656.9,656.3004047,9.8,172,658,0,0,10,30,41,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"Butanoic acid, 2-amino-4-(S-butylsulfonimidoyl)-, (2S)-",083730-53-4,119565,(2S)-2-amino-4-(butylsulfonimidoyl)butanoic acid,CCCCS(=N)(=O)CC[C@@H](C(=O)O)N,"InChI=1S/C8H18N2O3S/c1-2-3-5-14(10,13)6-4-7(9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)/t7-,14?/m0/s1",KJQFBVYMGADDTQ-CVSPRKDYSA-N,C8H18N2O3S,222.31,222.1038136,-0.6,113,284,0,3,5,7,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, HYDROXYPHOSPHONO-, DISODIUM SALT",128192-25-6,44146446,disodium;2-hydroxy-2-[hydroxy(oxido)phosphoryl]acetate,C(C(=O)[O-])(O)P(=O)(O)[O-].[Na+].[Na+],"InChI=1S/C2H5O6P.2Na/c3-1(4)2(5)9(6,7)8;;/h2,5H,(H,3,4)(H2,6,7,8);;/q;2*+1/p-2",GVSZDFZHFPPZNV-UHFFFAOYSA-L,C2H3Na2O6P,199.99,199.9462634,,121,149,0,2,6,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
HYDROXYPROPYL ETHYLENEDIAMINE,000102-60-3,7615,1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol,CC(CN(CCN(CC(C)O)CC(C)O)CC(C)O)O,"InChI=1S/C14H32N2O4/c1-11(17)7-15(8-12(2)18)5-6-16(9-13(3)19)10-14(4)20/h11-14,17-20H,5-10H2,1-4H3",NSOXQYCFHDMMGV-UHFFFAOYSA-N,C14H32N2O4,292.41,292.2362075,-0.7,87.4,199,0,4,6,11,20,,190 °C @ 1.0 MM HG,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DIISOBUTYL FUMARATE,007283-69-4,5373437,bis(2-methylpropyl) (E)-but-2-enedioate,CC(C)COC(=O)/C=C/C(=O)OCC(C)C,"InChI=1S/C12H20O4/c1-9(2)7-15-11(13)5-6-12(14)16-8-10(3)4/h5-6,9-10H,7-8H2,1-4H3/b6-5+",RSRICHZMFPHXLE-AATRIKPKSA-N,C12H20O4,228.28,228.1361591,2.9,52.6,228,0,0,4,8,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
HEPTAKIS(DIPROPYLENEGLYCOL)-TRIPHOSPHATE,013474-96-9,73357743,bis[1-[2-[bis[1-(2-hydroxypropoxy)propan-2-yloxy]phosphanyloxy]propoxy]propan-2-yl] 1-(2-hydroxypropoxy)propan-2-yl phosphite,CC(COCC(C)OP(OC(C)COCC(C)O)OC(C)COCC(C)OP(OC(C)COCC(C)O)OC(C)COCC(C)OP(OC(C)COCC(C)O)OC(C)COCC(C)O)O,"InChI=1S/C42H89O21P3/c1-29(43)15-48-20-34(6)55-64(56-35(7)21-49-16-30(2)44)60-39(11)25-53-27-41(13)62-66(59-38(10)24-52-19-33(5)47)63-42(14)28-54-26-40(12)61-65(57-36(8)22-50-17-31(3)45)58-37(9)23-51-18-32(4)46/h29-47H,15-28H2,1-14H3",YUQUMZODFSNECB-UHFFFAOYSA-N,C42H89O21P3,1023.1,1022.510921,1.4,249,989,0,5,21,46,66,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TRIOCTYL CITRATE,007147-34-4,95243,"tris(2-ethylhexyl) 2-hydroxypropane-1,2,3-tricarboxylate",CCCCC(CC)COC(=O)CC(CC(=O)OCC(CC)CCCC)(C(=O)OCC(CC)CCCC)O,"InChI=1S/C30H56O7/c1-7-13-16-24(10-4)21-35-27(31)19-30(34,29(33)37-23-26(12-6)18-15-9-3)20-28(32)36-22-25(11-5)17-14-8-2/h24-26,34H,7-23H2,1-6H3",DUHIKWRPAQIIBL-UHFFFAOYSA-N,C30H56O7,528.8,528.4026041,8.4,99.1,585,0,1,7,26,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
COLESTIPOL HYDROCHLORIDE,037296-80-3,3084661,"N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;hydrochloride",C(CNCCNCCNCCN)N.Cl,"InChI=1S/C8H23N5.ClH/c9-1-3-11-5-7-13-8-6-12-4-2-10;/h11-13H,1-10H2;1H",GACQNVJDWUAPFY-UHFFFAOYSA-N,C8H24ClN5,225.76,225.1720235,,88.1,78,0,6,5,10,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM METHYL METHYLPHOSPHONATE,073750-69-3,21062327,sodium methoxy(methyl)phosphinate,COP(=O)(C)[O-].[Na+],"InChI=1S/C2H7O3P.Na/c1-5-6(2,3)4;/h1-2H3,(H,3,4);/q;+1/p-1",QXYBOLJMIMSFLE-UHFFFAOYSA-M,C2H6NaO3P,132.03,131.9952253,,49.4,83,0,0,3,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LYS-LYS DIHYDROCHLORIDE [N(2)-L-LYSYL-L-LYSINE DIHYDROCHLORIDE],052123-30-5,19031621,"6-amino-2-(2,6-diaminohexanoylamino)hexanoic acid;dihydrochloride",C(CCN)CC(C(=O)NC(CCCCN)C(=O)O)N.Cl.Cl,"InChI=1S/C12H26N4O3.2ClH/c13-7-3-1-5-9(15)11(17)16-10(12(18)19)6-2-4-8-14;;/h9-10H,1-8,13-15H2,(H,16,17)(H,18,19);2*1H",LXQFWEBCTJENGB-UHFFFAOYSA-N,C12H28Cl2N4O3,347.28,346.1538462,,144,274,0,7,6,11,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DEITHOXY DI(EHTYLMETHYLKETOXIME) SILANE,093917-75-0,94704,bis(butan-2-ylideneamino) diethyl silicate,CCC(=NO[Si](OCC)(OCC)ON=C(C)CC)C,"InChI=1S/C12H26N2O4Si/c1-7-11(5)13-17-19(15-9-3,16-10-4)18-14-12(6)8-2/h7-10H2,1-6H3",HEZFQVMOIROEFN-UHFFFAOYSA-N,C12H26N2O4Si,290.43,290.1661839,,61.6,278,0,0,6,10,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
FLUOROAPATITE,001306-05-4,10207414,pentacalcium;fluoride;triphosphate,[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[F-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2],"InChI=1S/5Ca.FH.3H3O4P/c;;;;;;3*1-5(2,3)4/h;;;;;1H;3*(H3,1,2,3,4)/q5*+2;;;;/p-10",VSIIXMUUUJUKCM-UHFFFAOYSA-D,Ca5FO12P3,504.3,503.671619,,259,36,0,0,13,0,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LITHIUM FORMATE MONOHYDRATE,006108-23-2,23702287,lithium;formate;hydrate,[Li+].C(=O)[O-].O,"InChI=1S/CH2O2.Li.H2O/c2-1-3;;/h1H,(H,2,3);;1H2/q;+1;/p-1",RDAKCPVJSPEDON-UHFFFAOYSA-M,CH3LiO3,70,70.02422239,,41.1,13,0,1,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CHOLINE DIHYDROGEN PHOSPHATE,083846-92-8,150067,dihydrogen phosphate;2-hydroxyethyl(trimethyl)azanium,C[N+](C)(C)CCO.OP(=O)(O)[O-],"InChI=1S/C5H14NO.H3O4P/c1-6(2,3)4-5-7;1-5(2,3)4/h7H,4-5H2,1-3H3;(H3,1,2,3,4)/q+1;/p-1",LPPJNZJBKFSQGA-UHFFFAOYSA-M,C5H16NO5P,201.16,201.0766096,,101,96,0,3,5,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYLAMMONIUM NITRATE,022113-86-6,193581,ethanamine;nitric acid,CCN.[N+](=O)(O)[O-],"InChI=1S/C2H7N.HNO3/c1-2-3;2-1(3)4/h2-3H2,1H3;(H,2,3,4)",NWMKOQWBSZQAMG-UHFFFAOYSA-N,C2H8N2O3,108.1,108.0534921,,92.1,27,0,2,4,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(2,2-DIMETHYL-1,3-POLY(OXY(METHYL-1,2-ETHANEDIYL)), ALPHA,ALPHA'",084170-74-1,174364,"3-[2,2-dimethyl-3-(3-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate",CC(C)(COCCCOC(=O)C=C)COCCCOC(=O)C=C,"InChI=1S/C17H28O6/c1-5-15(18)22-11-7-9-20-13-17(3,4)14-21-10-8-12-23-16(19)6-2/h5-6H,1-2,7-14H2,3-4H3",NQGDHQASSFDDLD-UHFFFAOYSA-N,C17H28O6,328.4,328.1885886,2.8,71.1,341,0,0,6,16,23,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
AMMONIUM HEXAFLUOROSTANNATE,016919-24-7,126456180,,N.N.[F-].[F-].[F-].[F-].[F-].[F-].[Sn],InChI=1S/6FH.2H3N.Sn/h6*1H;2*1H3;/p-6,KAEXQPDUSTVKME-UHFFFAOYSA-H,F6H6N2Sn-6,266.76,267.94572,,2,0,-6,2,8,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-DIBROMO-1-FLUOROETHANE (C2H3BR2F)",000358-97-4,78985,"1,2-dibromo-1-fluoroethane",C(C(F)Br)Br,"InChI=1S/C2H3Br2F/c3-1-2(4)5/h2H,1H2",MZYSDQJCGXPRJB-UHFFFAOYSA-N,C2H3Br2F,205.85,205.8565,2.3,0,23,0,0,1,1,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MET-ALA-SER,017351-33-6,444641,(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-3-hydroxypropanoic acid,C[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCSC)N,"InChI=1S/C11H21N3O5S/c1-6(9(16)14-8(5-15)11(18)19)13-10(17)7(12)3-4-20-2/h6-8,15H,3-5,12H2,1-2H3,(H,13,17)(H,14,16)(H,18,19)/t6-,7-,8-/m0/s1",WXHHTBVYQOSYSL-FXQIFTODSA-N,C11H21N3O5S,307.37,307.120192,-4.4,167,353,0,5,7,9,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(3-TRIETHOXYSILYLPROPYL)-4-HYDROXYBUTYRAMIDE,156214-80-1,2760693,4-hydroxy-N-(3-triethoxysilylpropyl)butanamide,CCO[Si](CCCNC(=O)CCCO)(OCC)OCC,"InChI=1S/C13H29NO5Si/c1-4-17-20(18-5-2,19-6-3)12-8-10-14-13(16)9-7-11-15/h15H,4-12H2,1-3H3,(H,14,16)",QKDAMFXBOUOVMF-UHFFFAOYSA-N,C13H29NO5Si,307.46,307.1814996,,77,236,0,2,5,13,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SUCCINALDEHYDIC ACID,000692-29-5,1112,4-oxobutanoic acid,C(CC(=O)O)C=O,"InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)",UIUJIQZEACWQSV-UHFFFAOYSA-N,C4H6O3,102.09,102.031694,-0.8,54.4,77,0,1,3,3,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
5-(DITHYLAMINO)-2-PENTANONE,000105-14-6,7739,5-(diethylamino)pentan-2-one,CCN(CC)CCCC(=O)C,"InChI=1S/C9H19NO/c1-4-10(5-2)8-6-7-9(3)11/h4-8H2,1-3H3",GRGNJBKJCVOFEO-UHFFFAOYSA-N,C9H19NO,157.25,157.1466642,1,20.3,108,0,0,2,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2-DIMETHYLBUTYRIC ACID",000595-37-9,11684,"2,2-dimethylbutanoic acid",CCC(C)(C)C(=O)O,"InChI=1S/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8)",VUAXHMVRKOTJKP-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,1.5,37.3,94,0,1,2,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIETHYLUREA",000623-76-7,12194,"1,3-diethylurea",CCNC(=O)NCC,"InChI=1S/C5H12N2O/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)",ZWAVGZYKJNOTPX-UHFFFAOYSA-N,C5H12N2O,116.16,116.094963,0.1,41.1,64,0,2,1,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
VINYL SULFOXIDE,001115-15-7,14217,1-ethenylsulfinylethene,C=CS(=O)C=C,"InChI=1S/C4H6OS/c1-3-6(5)4-2/h3-4H,1-2H2",HQSMEHLVLOGBCK-UHFFFAOYSA-N,C4H6OS,102.16,102.013936,0.6,36.3,75,0,0,2,2,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(BIS(2-CHLOROETHYL)SULFOXIDE),005819-08-9,22070,1-chloro-2-(2-chloroethylsulfinyl)ethane,C(CCl)S(=O)CCCl,InChI=1S/C4H8Cl2OS/c5-1-3-8(7)4-2-6/h1-4H2,NOMHBBFEJSVGSC-UHFFFAOYSA-N,C4H8Cl2OS,175.08,173.9672914,0.4,36.3,68,0,0,2,4,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SULFURIC ACID, ZIRCONIUM(4+) SALT (2:1), TETRAHYDRATE",007446-31-3,23219663,zirconium(4+);disulfate;tetrahydrate,O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Zr+4],"InChI=1S/2H2O4S.4H2O.Zr/c2*1-5(2,3)4;;;;;/h2*(H2,1,2,3,4);4*1H2;/q;;;;;;+4/p-4",NLOQZPHAWQDLQW-UHFFFAOYSA-J,H8O12S2Zr,355.4,353.850417,,181,62,0,4,12,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
AMMONIUM PHOSPHOMOLYBDATE,012026-66-3,90479084,triazanium;dodecakis(trioxomolybdenum);phosphate,[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])[O-].O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O,"InChI=1S/12Mo.3H3N.H3O4P.36O/c;;;;;;;;;;;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;3*1H3;(H3,1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;",RIAJLMJRHLGNMZ-UHFFFAOYSA-N,H12Mo12N3O40P,1876.5,1874.742887,,704,98,0,3,40,0,56,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHYL [(METHYLTHIO)METHYL]PHOSPHONATE,028460-01-7,520377,1-[ethoxy(methylsulfanylmethyl)phosphoryl]oxyethane,CCOP(=O)(CSC)OCC,"InChI=1S/C6H15O3PS/c1-4-8-10(7,6-11-3)9-5-2/h4-6H2,1-3H3",RAABCCZMKIIGJW-UHFFFAOYSA-N,C6H15O3PS,198.22,198.0479525,1,60.8,130,0,0,4,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-HEPTADECAFLUORODEC-1-ENE",021652-58-4,88990,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-ene",C=CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C10H3F17/c1-2-3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h2H,1H2",NKAMGQZDVMQEJL-UHFFFAOYSA-N,C10H3F17,446.1,445.9963289,6.7,0,565,0,0,17,7,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N'-1,2-ETHANEDIYLIDENEBIS(2-METHYL-2-PROPANAMINE)",030834-74-3,141141,"N,N'-ditert-butylethane-1,2-diimine",CC(C)(C)N=CC=NC(C)(C)C,"InChI=1S/C10H20N2/c1-9(2,3)11-7-8-12-10(4,5)6/h7-8H,1-6H3",HACCVLBYBQLWMC-UHFFFAOYSA-N,C10H20N2,168.28,168.1626486,1.8,24.7,155,0,0,2,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
YTTRIUM CHLORIDE HEXAHYDRATE,010025-94-2,202254,yttrium(3+);trichloride;hexahydrate,O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Y+3],InChI=1S/3ClH.6H2O.Y/h3*1H;6*1H2;/q;;;;;;;;;+3/p-3,IINACGXCEZNYTF-UHFFFAOYSA-K,Cl3H12O6Y,303.35,301.875784,,6,0,0,6,9,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HOLMIUM CARBONATE,052275-84-0,57350480,bis(holmium(3+));tricarbonate;hydrate,C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].O.[Ho+3].[Ho+3],"InChI=1S/3CH2O3.2Ho.H2O/c3*2-1(3)4;;;/h3*(H2,2,3,4);;;1H2/q;;;2*+3;/p-6",XXHLSAONJAUANQ-UHFFFAOYSA-H,C3H2Ho2O10,527.9,527.82545,,191,18,0,1,10,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POLY(OXYMETHYLENE) ACETATE,025231-38-3,12345,acetyloxymethyl acetate,CC(=O)OCOC(=O)C,"InChI=1S/C5H8O4/c1-4(6)8-3-9-5(2)7/h3H2,1-2H3",BPGDAMSIGCZZLK-UHFFFAOYSA-N,C5H8O4,132.11,132.0422587,0.1,52.6,104,0,0,4,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CALCIUM BROMIDE HYDRATE,071626-99-8,17749113,calcium;dibromide;hydrate,O.[Ca+2].[Br-].[Br-],InChI=1S/2BrH.Ca.H2O/h2*1H;;1H2/q;;+2;/p-2,NQMKEZBQFUTOQC-UHFFFAOYSA-L,Br2CaH2O,217.9,217.80778,,1,0,0,1,3,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM TETRABROMOAURATE(III),014323-32-1,167064,potassium;gold(3+);tetrabromide,[K+].[Br-].[Br-].[Br-].[Br-].[Au+3],InChI=1S/Au.4BrH.K/h;4*1H;/q+3;;;;;+1/p-4,GVZKACIZKAONNB-UHFFFAOYSA-J,AuBr4K,555.68,555.59953,,0,0,0,0,4,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PRASEODYMIUM(III) CHLORIDE HYDRATE,019423-77-9,16211501,trichloropraseodymium;hydrate,O.Cl[Pr](Cl)Cl,InChI=1S/3ClH.H2O.Pr/h3*1H;1H2;/q;;;;+3/p-3,BQRCNEKQNZWNCY-UHFFFAOYSA-K,Cl3H2OPr,265.28,263.82478,,1,8,0,1,1,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYLTRI-N-BUTYLAMMONIUM BROMIDE,037026-88-3,10062191,tributyl(methyl)azanium bromide,CCCC[N+](C)(CCCC)CCCC.[Br-],"InChI=1S/C13H30N.BrH/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1",DHAWHVVWUNNONG-UHFFFAOYSA-M,C13H30BrN,280.29,279.15616,,0,98,0,0,1,9,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SULFURIC ACID, PRASEODYMIUM(3+) SALT (3:2)",010277-44-8,165851,bis(praseodymium(3+));trisulfate,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Pr+3].[Pr+3],"InChI=1S/3H2O4S.2Pr/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+3/p-6",HWZAHTVZMSRSJE-UHFFFAOYSA-H,O12Pr2S3,570,569.67051,,266,62,0,0,12,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PLATINATE (PT(OH)62-), DISODIUM, (OC-6-11)-",012325-31-4,166688,disodium;platinum(4+);hexahydroxide,[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Na+].[Na+].[Pt+4],InChI=1S/2Na.6H2O.Pt/h;;6*1H2;/q2*+1;;;;;;;+4/p-6,LDMNYTKHBHFXNG-UHFFFAOYSA-H,H6Na2O6Pt,343.11,342.960771,,6,0,0,6,6,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"RHODIUM(2+), PENTAAMMINECHLORO-, DICHLORIDE, (OC-6-22)-",013820-95-6,159699,azane;rhodium(3+);trichloride,N.N.N.N.N.[Cl-].[Cl-].[Cl-].[Rh+3],InChI=1S/3ClH.5H3N.Rh/h3*1H;5*1H3;/q;;;;;;;;+3/p-3,ICJGGTVWZZBROS-UHFFFAOYSA-K,Cl3H15N5Rh,294.41,292.9448,,5,0,0,5,8,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-A-PHOSPHATIDYL-L-SERINE,,9547096,"(2S)-2-amino-3-[[(2R)-2,3-di(octadecanoyloxy)propoxy]-hydroxyphosphoryl]oxypropanoic acid",CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C42H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39H,3-37,43H2,1-2H3,(H,46,47)(H,48,49)/t38-,39+/m1/s1",TZCPCKNHXULUIY-RGULYWFUSA-N,C42H82NO10P,792.1,791.5676348,12.1,172,937,0,3,11,44,54,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
O-T-BUTYL-L-THREONINE,,6951357,"(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid",C[C@H]([C@@H](C(=O)O)N)OC(C)(C)C,"InChI=1S/C8H17NO3/c1-5(6(9)7(10)11)12-8(2,3)4/h5-6H,9H2,1-4H3,(H,10,11)/t5-,6+/m1/s1",NMJINEMBBQVPGY-RITPCOANSA-N,C8H17NO3,175.23,175.1208434,-2.1,72.6,162,0,2,4,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DL-GLYCERIC ACID, CALCIUM SALT HYDRATE",,752,"2,3-dihydroxypropanoic acid",C(C(C(=O)O)O)O,"InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)",RBNPOMFGQQGHHO-UHFFFAOYSA-N,C3H6O4,106.08,106.0266087,-1.5,77.8,69,0,3,4,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRI(N-HEXYL) PHOSPHATE,,75666,trihexyl phosphate,CCCCCCOP(=O)(OCCCCCC)OCCCCCC,"InChI=1S/C18H39O4P/c1-4-7-10-13-16-20-23(19,21-17-14-11-8-5-2)22-18-15-12-9-6-3/h4-18H2,1-3H3",SFENPMLASUEABX-UHFFFAOYSA-N,C18H39O4P,350.5,350.2585967,6.5,44.8,241,0,0,4,18,23,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
O-(PROPARGYLOXY)-N-(TRIETHOXYSILYLPROPYL)URETHANE,,59324374,prop-2-ynyl N-(3-triethoxysilylpropyl)carbamate,CCO[Si](CCCNC(=O)OCC#C)(OCC)OCC,"InChI=1S/C13H25NO5Si/c1-5-11-16-13(15)14-10-9-12-20(17-6-2,18-7-3)19-8-4/h1H,6-12H2,2-4H3,(H,14,15)",ZMASSMHNNATIBZ-UHFFFAOYSA-N,C13H25NO5Si,303.43,303.1501994,,66,298,0,1,5,12,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL 11-OCTADECENOATE,,5364432,methyl (E)-octadec-11-enoate,CCCCCC/C=C/CCCCCCCCCC(=O)OC,"InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h8-9H,3-7,10-18H2,1-2H3/b9-8+",PVVODBCDJBGMJL-CMDGGOBGSA-N,C19H36O2,296.5,296.2715304,7.6,26.3,246,0,0,2,16,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GADOLINIUM ISOPROPOXIDE,,10882218,gadolinium;tris(propan-2-ol),CC(C)O.CC(C)O.CC(C)O.[Gd],"InChI=1S/3C3H8O.Gd/c3*1-3(2)4;/h3*3-4H,1-2H3;",AGUOFJVRZOIUFG-UHFFFAOYSA-N,C9H24GdO3,337.53,338.09666,,60.7,51,0,3,3,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N-DODECYL-N,N-(DIMETHYLAMMONIO)BUTYRATE",,11536737,4-[dodecyl(dimethyl)azaniumyl]butanoate,CCCCCCCCCCCC[N+](C)(C)CCCC(=O)[O-],"InChI=1S/C18H37NO2/c1-4-5-6-7-8-9-10-11-12-13-16-19(2,3)17-14-15-18(20)21/h4-17H2,1-3H3",ZFVNBVQBIZJUEY-UHFFFAOYSA-N,C18H37NO2,299.5,299.2824294,6.4,40.1,246,0,0,2,14,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-ETHOXYACRYLONITRILE,061310-53-0,5324714,(E)-3-ethoxyprop-2-enenitrile,CCO/C=C/C#N,"InChI=1S/C5H7NO/c1-2-7-5-3-4-6/h3,5H,2H2,1H3/b5-3+",HUPVIAINOSTNBJ-HWKANZROSA-N,C5H7NO,97.12,97.05276385,0.6,33,97,0,0,2,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-HEXENAL, 2-ETHYL-",000645-62-5,5354264,(E)-2-ethylhex-2-enal,CCC/C=C(\CC)/C=O,"InChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3/b8-6+",PYLMCYQHBRSDND-SOFGYWHQSA-N,C8H14O,126.2,126.1044651,2.3,17.1,103,0,0,1,4,9,"155 °F (NTP, 1992)","347 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
N-BUTYL LACTATE,000138-22-7,8738,butyl 2-hydroxypropanoate,CCCCOC(=O)C(C)O,"InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3",MRABAEUHTLLEML-UHFFFAOYSA-N,C7H14O3,146.18,146.0942943,1.1,46.5,101,0,1,3,5,10,"160 °F (USCG, 1999)","370 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ACETONYLACETONE,000110-13-4,8035,"hexane-2,5-dione",CC(=O)CCC(=O)C,"InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3",OJVAMHKKJGICOG-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,-0.3,34.1,91,0,0,2,3,8,"174 °F (NTP, 1992)","376 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,0
OCTYL MERCAPTAN,000111-88-6,8144,octane-1-thiol,CCCCCCCCS,"InChI=1S/C8H18S/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",KZCOBXFFBQJQHH-UHFFFAOYSA-N,C8H18S,146.3,146.1129218,4.4,1,43,0,1,1,6,9,"115 °F (NIOSH, 2024)","390 °F at 760 mmHg (NIOSH, 2024)",1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
CITRONELLAL,000106-23-0,7794,"3,7-dimethyloct-6-enal",CC(CCC=C(C)C)CC=O,"InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3",NEHNMFOYXAPHSD-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,3,17.1,132,0,0,1,5,11,165 °F (74 °C) (CLOSED CUP),205 °C,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
DIETHYLENE GLYCOL DIETHYL ETHER,000112-36-7,8179,1-ethoxy-2-(2-ethoxyethoxy)ethane,CCOCCOCCOCC,"InChI=1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3",RRQYJINTUHWNHW-UHFFFAOYSA-N,C8H18O3,162.23,162.1255944,0.4,27.7,58,0,0,3,8,11,"130 °F (NTP, 1992)","372 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ETHYL 2-CYANOACRYLATE,007085-85-0,81530,ethyl 2-cyanoprop-2-enoate,CCOC(=O)C(=C)C#N,"InChI=1S/C6H7NO2/c1-3-9-6(8)5(2)4-7/h2-3H2,1H3",FGBJXOREULPLGL-UHFFFAOYSA-N,C6H7NO2,125.13,125.0476785,1,50.1,175,0,0,3,3,9,82.78 °C (closed cup),55 °C at 3 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,7-DIMETHYL-3-OCTANOL",000078-69-3,6548,"3,7-dimethyloctan-3-ol",CCC(C)(CCCC(C)C)O,"InChI=1S/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3",DLHQZZUEERVIGQ-UHFFFAOYSA-N,C10H22O,158.28,158.1670653,3.3,20.2,99,0,1,1,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
DODECAMETHYLPENTASILOXANE,000141-63-9,8853,bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-dimethylsilane,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,"InChI=1S/C12H36O4Si5/c1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h1-12H3",FBZANXDWQAVSTQ-UHFFFAOYSA-N,C12H36O4Si5,384.84,384.1459923,,36.9,313,0,0,4,8,21,,230 °C,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-ETHYLHEXYL ESTER",000103-11-7,7636,2-ethylhexyl prop-2-enoate,CCCCC(CC)COC(=O)C=C,"InChI=1S/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3",GOXQRTZXKQZDDN-UHFFFAOYSA-N,C11H20O2,184.27,184.1463299,3.8,26.3,152,0,0,2,8,13,"180 °F (NTP, 1992)","417 to 424 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,1
2-ETHYLHEXYL METHACRYLATE,000688-84-6,12713,2-ethylhexyl 2-methylprop-2-enoate,CCCCC(CC)COC(=O)C(=C)C,"InChI=1S/C12H22O2/c1-5-7-8-11(6-2)9-14-12(13)10(3)4/h11H,3,5-9H2,1-2,4H3",WDQMWEYDKDCEHT-UHFFFAOYSA-N,C12H22O2,198.3,198.1619799,4.5,26.3,185,0,0,2,8,14,92 °C,110 °C @ 14 mm Hg,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"3,7-DIMETHYL-1,6-OCTADIEN-3-OL ACETATE",000115-95-7,8294,"3,7-dimethylocta-1,6-dien-3-yl acetate",CC(=CCCC(C)(C=C)OC(=O)C)C,"InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3",UWKAYLJWKGQEPM-UHFFFAOYSA-N,C12H20O2,196.29,196.1463299,3.3,26.3,237,0,0,2,6,14,94 °C (201 °F) - closed cup,221 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"2-Propenoic acid, isooctyl ester",029590-42-9,165746,6-methylheptyl prop-2-enoate,CC(C)CCCCCOC(=O)C=C,"InChI=1S/C11H20O2/c1-4-11(12)13-9-7-5-6-8-10(2)3/h4,10H,1,5-9H2,2-3H3",DXPPIEDUBFUSEZ-UHFFFAOYSA-N,C11H20O2,184.27,184.1463299,4.2,26.3,150,0,0,2,8,13,91 °C,196.8 °C,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"SULFUR (POWDER, CRYSTALS, FLAKES, PIECES)",007704-34-9,5362487,sulfane,S,InChI=1S/S,NINIDFKCEFEMDL-UHFFFAOYSA-N,S,32.07,31.97207117,0.5,1,0,0,0,1,0,1,405 °F (207 °C) (Closed cup),444.61 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
1-METHYL-3-NITRO-1-NITROSOGUANIDINE,000070-25-7,135436526,1-methyl-3-nitro-1-nitrosoguanidine,CN(C(=N)N[N+](=O)[O-])N=O,"InChI=1S/C2H5N5O3/c1-6(5-8)2(3)4-7(9)10/h1H3,(H2,3,4)",VZUNGTLZRAYYDE-UHFFFAOYSA-N,C2H5N5O3,147.09,147.039239,0.1,114,161,0,2,5,2,10,,BP: 89-97 °C at 225 °C,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0,0
TETRAMETHYLAMMONIUM IODIDE,000075-58-1,6381,tetramethylazanium iodide,C[N+](C)(C)C.[I-],"InChI=1S/C4H12N.HI/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1",RXMRGBVLCSYIBO-UHFFFAOYSA-M,C4H12IN,201.05,201.00145,,0,19,0,0,1,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM MOLYBDATE,007631-95-0,61424,disodium;dioxido(dioxo)molybdenum,[O-][Mo](=O)(=O)[O-].[Na+].[Na+],InChI=1S/Mo.2Na.4O/q;2*+1;;;2*-1,TVXXNOYZHKPKGW-UHFFFAOYSA-N,MoNa2O4,205.93,207.864601,,80.3,62,0,0,4,0,7,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,1,2,2,3,3,4,4,5,5,6,6,6-TRIDECAFLUORO-1-HEXANESULFONIC ACID POTASSIUM SALT",003871-99-6,23678874,"potassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate",C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F.[K+],"InChI=1S/C6HF13O3S.K/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22;/h(H,20,21,22);/q;+1/p-1",RSCGQEBKFSGWJT-UHFFFAOYSA-M,C6F13KO3S,438.21,437.8997626,,65.6,559,0,0,16,5,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NONANOIC ACID, 2-PROPENYL ESTER",007493-72-3,61410,prop-2-enyl nonanoate,CCCCCCCCC(=O)OCC=C,"InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-12(13)14-11-4-2/h4H,2-3,5-11H2,1H3",MFLWLDDOGSNSKO-UHFFFAOYSA-N,C12H22O2,198.3,198.1619799,4.3,26.3,152,0,0,2,10,14,"84 °F (NTP, 1992)","189 to 196 °F at 3 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SILICON TETRACHLORIDE,010026-04-7,24816,tetrachlorosilane,[Si](Cl)(Cl)(Cl)Cl,"InChI=1S/Cl4Si/c1-5(2,3)4",FDNAPBUWERUEDA-UHFFFAOYSA-N,Cl4Si,169.9,169.849387,,0,19,0,0,0,0,5,,"135.7 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIPOTASSIUM CHROMATE,007789-00-6,24597,dipotassium;dioxido(dioxo)chromium,[O-][Cr](=O)(=O)[O-].[K+].[K+],InChI=1S/Cr.2K.4O/q;2*+1;;;2*-1,XMXNVYPJWBTAHN-UHFFFAOYSA-N,CrK2O4,194.19,193.847576,,80.3,62,0,0,4,0,7,,1000 °C,1,0,0,0,0,1,1,1,0,0,1,0,0,0,0,0,1,1,0,1
POTASSIUM METABISULFITE,016731-55-8,28019,,[O-]S(=O)S(=O)(=O)[O-].[K+].[K+],"InChI=1S/2K.H2O5S2/c;;1-6(2)7(3,4)5/h;;(H,1,2)(H,3,4,5)/q2*+1;/p-2",RWPGFSMJFRPDDP-UHFFFAOYSA-L,K2O5S2,222.33,221.8461284,,125,136,0,0,6,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEXAMETHYLENE DIISOCYANATE,000822-06-0,13192,"1,6-diisocyanatohexane",C(CCCN=C=O)CCN=C=O,InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2,RRAMGCGOFNQTLD-UHFFFAOYSA-N,C8H12N2O2,168.19,168.0898776,3.2,58.9,169,0,0,4,7,12,"284 °F (NTP, 1992)","491 °F at 760 mmHg (NTP, 1992)",0,0,1,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
DIBUTYL OXALATE,002050-60-4,16306,dibutyl oxalate,CCCCOC(=O)C(=O)OCCCC,"InChI=1S/C10H18O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h3-8H2,1-2H3",JKRZOJADNVOXPM-UHFFFAOYSA-N,C10H18O4,202.25,202.1205091,2.3,52.6,157,0,0,4,9,14,,241.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"POLYETHYLENE GLYCOL LAURYL ETHER SULFATE, AMMONIUM SALT",032612-48-9,61913,azane;2-dodecoxyethyl hydrogen sulfate,CCCCCCCCCCCCOCCOS(=O)(=O)O.N,"InChI=1S/C14H30O5S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;/h2-14H2,1H3,(H,15,16,17);1H3",OPVLOHUACNWTQT-UHFFFAOYSA-N,C14H33NO5S,327.48,327.2079443,,82.2,284,0,2,6,15,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3,6,9,12,15-PENTAOXAHEPTACOSAN-1-OL",003055-95-6,18281,2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol,CCCCCCCCCCCCOCCOCCOCCOCCOCCO,"InChI=1S/C22H46O6/c1-2-3-4-5-6-7-8-9-10-11-13-24-15-17-26-19-21-28-22-20-27-18-16-25-14-12-23/h23H,2-22H2,1H3",LAPRIVJANDLWOK-UHFFFAOYSA-N,C22H46O6,406.6,406.3294392,4.5,66.4,265,0,1,6,25,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-[2-(DODECYLOXY)ETHOXY]ETHANOL HYDROGEN SULFATE, SODIUM SALT",003088-31-1,23682204,sodium 2-(2-dodecoxyethoxy)ethyl sulfate,CCCCCCCCCCCCOCCOCCOS(=O)(=O)[O-].[Na+],"InChI=1S/C16H34O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-20-13-14-21-15-16-22-23(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1/p-1",GUQPDKHHVFLXHS-UHFFFAOYSA-M,C16H33NaO6S,376.5,376.1895542,,93.3,332,0,0,6,18,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
POTASSIUM SULFITE,010117-38-1,24958,dipotassium;sulfite,[O-]S(=O)[O-].[K+].[K+],"InChI=1S/2K.H2O3S/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2",BHZRJJOHZFYXTO-UHFFFAOYSA-L,K2O3S,158.26,157.884228,,82.4,18,0,0,4,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-METHYLGLUTARIC ACID,018069-17-5,12046,2-methylpentanedioic acid,CC(CCC(=O)O)C(=O)O,"InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)",AQYCMVICBNBXNA-UHFFFAOYSA-N,C6H10O4,146.14,146.0579088,0.1,74.6,141,0,2,4,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-CYSTEINE HYDROCHLORIDE MONOHYDRATE,007048-04-6,23462,(2R)-2-amino-3-sulfanylpropanoic acid;hydrate;hydrochloride,C([C@@H](C(=O)O)N)S.O.Cl,"InChI=1S/C3H7NO2S.ClH.H2O/c4-2(1-7)3(5)6;;/h2,7H,1,4H2,(H,5,6);1H;1H2/t2-;;/m0../s1",QIJRTFXNRTXDIP-JIZZDEOASA-N,C3H10ClNO3S,175.64,175.006992,,65.3,75,0,5,5,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5,5,5-TRIFLUORO-DL-LEUCINE",002792-72-5,259832,"2-amino-5,5,5-trifluoro-4-methylpentanoic acid",CC(CC(C(=O)O)N)C(F)(F)F,"InChI=1S/C6H10F3NO2/c1-3(6(7,8)9)2-4(10)5(11)12/h3-4H,2,10H2,1H3,(H,11,12)",XFGVJLGVINCWDP-UHFFFAOYSA-N,C6H10F3NO2,185.14,185.0663631,-0.9,63.3,169,0,2,6,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MANGANESE(II) ACETATE TETRAHYDRATE,006156-78-1,93021,manganese(2+);diacetate;tetrahydrate,CC(=O)[O-].CC(=O)[O-].O.O.O.O.[Mn+2],"InChI=1S/2C2H4O2.Mn.4H2O/c2*1-2(3)4;;;;;/h2*1H3,(H,3,4);;4*1H2/q;;+2;;;;/p-2",CESXSDZNZGSWSP-UHFFFAOYSA-L,C4H14MnO8,245.09,245.00691,,84.3,25,0,4,8,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BRIJ 58,009004-95-9,2724259,2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol,CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1S/C56H114O21/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-58-19-21-60-23-25-62-27-29-64-31-33-66-35-37-68-39-41-70-43-45-72-47-49-74-51-53-76-55-56-77-54-52-75-50-48-73-46-44-71-42-40-69-38-36-67-34-32-65-30-28-63-26-24-61-22-20-59-18-16-57/h57H,2-56H2,1H3",NLMKTBGFQGKQEV-UHFFFAOYSA-N,C56H114O21,1123.5,1122.785261,4.5,205,999,0,1,21,74,77,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TETRABUTYLAMMONIUM CHLORIDE,001112-67-0,70681,tetrabutylazanium chloride,CCCC[N+](CCCC)(CCCC)CCCC.[Cl-],"InChI=1S/C16H36N.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1",NHGXDBSUJJNIRV-UHFFFAOYSA-M,C16H36ClN,277.9,277.2536278,,0,116,0,0,1,12,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRABUTYLAMMONIUM DIHYDROGEN PHOSPHATE,005574-97-0,2735142,dihydrogen phosphate;tetrabutylazanium,CCCC[N+](CCCC)(CCCC)CCCC.OP(=O)(O)[O-],"InChI=1S/C16H36N.H3O4P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H3,1,2,3,4)/q+1;/p-1",ARRNBPCNZJXHRJ-UHFFFAOYSA-M,C16H38NO4P,339.45,339.2538457,,80.6,166,0,2,4,12,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TETRADECANAMINE,002016-42-4,16217,tetradecan-1-amine,CCCCCCCCCCCCCCN,"InChI=1S/C14H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-15H2,1H3",PLZVEHJLHYMBBY-UHFFFAOYSA-N,C14H31N,213.4,213.24565,6.4,26,102,0,1,1,12,15,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MANGANESE(II) ACETATE,000638-38-0,12525,manganese(2+) diacetate,CC(=O)[O-].CC(=O)[O-].[Mn+2],"InChI=1S/2C2H4O2.Mn/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",UOGMEBQRZBEZQT-UHFFFAOYSA-L,C4H6MnO4,173.03,172.964652,,80.3,25,0,0,4,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-((2-METHYL-1-OXOALLYL)OXY)ETHYL ACETOACETATE,021282-97-3,88855,2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate,CC(=C)C(=O)OCCOC(=O)CC(=O)C,"InChI=1S/C10H14O5/c1-7(2)10(13)15-5-4-14-9(12)6-8(3)11/h1,4-6H2,2-3H3",IBDVWXAVKPRHCU-UHFFFAOYSA-N,C10H14O5,214.21,214.0841235,0.8,69.7,280,0,0,5,8,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"GLYCINE, N,N-DIMETHYL-, HYDRAZIDE, MONOHYDROCHLORIDE",000539-64-0,68318,2-(dimethylamino)acetohydrazide;hydrochloride,CN(C)CC(=O)NN.Cl,"InChI=1S/C4H11N3O.ClH/c1-7(2)3-4(8)6-5;/h3,5H2,1-2H3,(H,6,8);1H",OBXBQDQBTXIDCA-UHFFFAOYSA-N,C4H12ClN3O,153.61,153.0668897,,58.4,81,0,3,3,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,6,9,12-TETRAOXATETRACOSAN-1-OL",005274-68-0,78933,2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethanol,CCCCCCCCCCCCOCCOCCOCCOCCO,"InChI=1S/C20H42O5/c1-2-3-4-5-6-7-8-9-10-11-13-22-15-17-24-19-20-25-18-16-23-14-12-21/h21H,2-20H2,1H3",WPMWEFXCIYCJSA-UHFFFAOYSA-N,C20H42O5,362.5,362.3032244,4.7,57.2,226,0,1,5,22,25,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
AMMONIUM BISULFITE,010192-30-0,10441651,azanium hydrogen sulfite,[NH4+].OS(=O)[O-],"InChI=1S/H3N.H2O3S/c;1-4(2)3/h1H3;(H2,1,2,3)",ZETCGWYACBNPIH-UHFFFAOYSA-N,H5NO3S,99.11,98.9990142,,80.6,24,0,2,4,0,5,,"Sublimates at 302.0 °F (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BIS(TETRABUTYLAMMONIUM)SULPHATE,002472-88-0,11433187,bis(tetrabutylazanium);sulfate,CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.[O-]S(=O)(=O)[O-],"InChI=1S/2C16H36N.H2O4S/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h2*5-16H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2",ZXUCBXRTRRIBSO-UHFFFAOYSA-L,C32H72N2O4S,581,580.52128,,88.6,178,0,0,4,24,39,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GLYOXAL,000107-22-2,7860,oxaldehyde,C(=O)C=O,InChI=1S/C2H2O2/c3-1-2-4/h1-2H,LEQAOMBKQFMDFZ-UHFFFAOYSA-N,C2H2O2,58.04,58.0054793,-0.4,34.1,25,0,0,2,1,4,"428 °F (NTP, 1992)","124 °F at 776 mmHg (NTP, 1992)",0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,1,1,0,0
2-(DIETHYLAMINO)ETHYL METHACRYLATE,000105-16-8,61012,2-(diethylamino)ethyl 2-methylprop-2-enoate,CCN(CC)CCOC(=O)C(=C)C,"InChI=1S/C10H19NO2/c1-5-11(6-2)7-8-13-10(12)9(3)4/h3,5-8H2,1-2,4H3",SJIXRGNQPBQWMK-UHFFFAOYSA-N,C10H19NO2,185.26,185.1415788,1.9,29.5,174,0,0,3,7,13,,BP: 80 °C at 10 mm Hg,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"2,2-DICHLOROPROPIONIC ACID",000075-99-0,6418,"2,2-dichloropropanoic acid",CC(C(=O)O)(Cl)Cl,"InChI=1S/C3H4Cl2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)",NDUPDOJHUQKPAG-UHFFFAOYSA-N,C3H4Cl2O2,142.97,141.9588348,1.3,37.3,88,0,1,2,1,7,,"374 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
TRICHLOROETHYLENE,000079-01-6,6575,"1,1,2-trichloroethene",C(=C(Cl)Cl)Cl,InChI=1S/C2HCl3/c3-1-2(4)5/h1H,XSTXAVWGXDQKEL-UHFFFAOYSA-N,C2HCl3,131.38,129.914383,2.6,0,42,0,0,0,0,5,"greater than 200 °F (NTP, 1992)","189 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,1,1,0,0,1,0,0,0,0,0,1,0,0,1
DIBUTYL PHOSPHITE,001809-19-4,6327349,dibutoxy(oxo)phosphanium,CCCCO[P+](=O)OCCCC,"InChI=1S/C8H18O3P/c1-3-5-7-10-12(9)11-8-6-4-2/h3-8H2,1-2H3/q+1",OSPSWZSRKYCQPF-UHFFFAOYSA-N,C8H18O3P+,193.2,193.0993564,2.5,35.5,105,1,0,3,8,12,"120 °F (NFPA, 2010)",95 °C at 1 mm Hg,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
OLEOYL SARCOSINE,000110-25-8,6912870,2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid,CCCCCCCC/C=C\CCCCCCCC(=O)N(C)CC(=O)O,"InChI=1S/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25/h10-11H,3-9,12-19H2,1-2H3,(H,24,25)/b11-10-",DIOYAVUHUXAUPX-KHPPLWFESA-N,C21H39NO3,353.5,353.2929941,6.8,57.6,366,0,1,3,17,25,,,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
CLOSTRIPAIN,009028-00-6,168010009,"hexakis(2,7-dimethyloctan-4-ol);hexakis(2,7-dimethyloct-4-ene);molecular hydrogen;propane",[HH].[HH].[HH].[HH].[HH].[HH].CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CC(C)CCC(CC(C)C)O.CC(C)CCC(CC(C)C)O.CC(C)CCC(CC(C)C)O.CC(C)CCC(CC(C)C)O.CC(C)CCC(CC(C)C)O.CC(C)CCC(CC(C)C)O.CC(C)CC=CCC(C)C.CC(C)CC=CCC(C)C.CC(C)CC=CCC(C)C.CC(C)CC=CCC(C)C.CC(C)CC=CCC(C)C.CC(C)CC=CCC(C)C,"InChI=1S/6C10H22O.6C10H20.24C3H8.6H2/c6*1-8(2)5-6-10(11)7-9(3)4;6*1-9(2)7-5-6-8-10(3)4;24*1-3-2;;;;;;/h6*8-11H,5-7H2,1-4H3;6*5-6,9-10H,7-8H2,1-4H3;24*3H2,1-2H3;6*1H",SRMJIROQHUCOER-UHFFFAOYSA-N,C192H456O6,2862,2861.544412,,121,163,0,6,6,54,198,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"9-OCTADECENAMIDE, N-[3-(DIMETHYLAMINO)PROPYL]-12-HYDROXY-, [R-(Z)]-",020457-75-4,6436523,"(Z,12R)-N-[3-(dimethylamino)propyl]-12-hydroxyoctadec-9-enamide",CCCCCC[C@H](C/C=C\CCCCCCCC(=O)NCCCN(C)C)O,"InChI=1S/C23H46N2O2/c1-4-5-6-13-17-22(26)18-14-11-9-7-8-10-12-15-19-23(27)24-20-16-21-25(2)3/h11,14,22,26H,4-10,12-13,15-21H2,1-3H3,(H,24,27)/b14-11-/t22-/m1/s1",DWIUBTKCNCCGOO-QOYCNBSOSA-N,C23H46N2O2,382.6,382.3559287,5.9,52.6,356,0,2,3,19,27,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"HEXADECANAMIDE, N-[3-(DIMETHYLAMINO)PROPYL]-",039669-97-1,38313,N-[3-(dimethylamino)propyl]hexadecanamide,CCCCCCCCCCCCCCCC(=O)NCCCN(C)C,"InChI=1S/C21H44N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)22-19-17-20-23(2)3/h4-20H2,1-3H3,(H,22,24)",BDHJUCZXTYXGCZ-UHFFFAOYSA-N,C21H44N2O,340.6,340.345364,7.3,32.3,267,0,1,2,18,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"TETRADECANAMIDE, N-[3-(DIMETHYLAMINO)PROPYL]-",045267-19-4,170759,N-[3-(dimethylamino)propyl]tetradecanamide,CCCCCCCCCCCCCC(=O)NCCCN(C)C,"InChI=1S/C19H40N2O/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(22)20-17-15-18-21(2)3/h4-18H2,1-3H3,(H,20,22)",IFYDWYVPVAMGRO-UHFFFAOYSA-N,C19H40N2O,312.5,312.3140639,6.2,32.3,242,0,1,2,16,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
NONANOIC ACID,000112-05-0,8158,nonanoic acid,CCCCCCCCC(=O)O,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",FBUKVWPVBMHYJY-UHFFFAOYSA-N,C9H18O2,158.24,158.1306798,3.5,37.3,99,0,1,2,7,11,133 °C (open cup),254.5 °C,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"SODIUM PHOSPHATE, TRIBASIC",007601-54-9,24243,trisodium;phosphate,[O-]P(=O)([O-])[O-].[Na+].[Na+].[Na+],"InChI=1S/3Na.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q3*+1;/p-3",RYFMWSXOAZQYPI-UHFFFAOYSA-K,Na3O4P,163.941,163.9227283,,86.3,36,0,0,4,0,8,,"The hydrate loses 11 moles of water at 212 °F. (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(E)-4-(TERT-BUTOXY)-4-OXOBUT-2-ENOIC ACID,135355-96-3,5797551,(E)-4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enoic acid,CC(C)(C)OC(=O)/C=C/C(=O)O,"InChI=1S/C8H12O4/c1-8(2,3)12-7(11)5-4-6(9)10/h4-5H,1-3H3,(H,9,10)/b5-4+",BAXKSCVINAKVNE-SNAWJCMRSA-N,C8H12O4,172.18,172.0735589,0.9,63.6,210,0,1,4,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SILANE, TRIETHOXY(2-METHYLPROPYL)-",017980-47-1,87391,triethoxy(2-methylpropyl)silane,CCO[Si](CC(C)C)(OCC)OCC,"InChI=1S/C10H24O3Si/c1-6-11-14(12-7-2,13-8-3)9-10(4)5/h10H,6-9H2,1-5H3",ALVYUZIFSCKIFP-UHFFFAOYSA-N,C10H24O3Si,220.38,220.1494712,,27.7,122,0,0,3,8,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANAMINE, N,N-DIETHYL-, SULFATE",054272-29-6,171330,"N,N-diethylethanamine;sulfuric acid",CCN(CC)CC.OS(=O)(=O)O,"InChI=1S/C6H15N.H2O4S/c1-4-7(5-2)6-3;1-5(2,3)4/h4-6H2,1-3H3;(H2,1,2,3,4)",JNONJXMVMJSMTC-UHFFFAOYSA-N,C6H17NO4S,199.27,199.0878292,,86.2,107,0,2,5,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DECENOIC ACID,072881-27-7,5282724,(E)-dec-2-enoic acid,CCCCCCC/C=C/C(=O)O,"InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)/b9-8+",WXBXVVIUZANZAU-CMDGGOBGSA-N,C10H18O2,170.25,170.1306798,3.8,37.3,139,0,1,2,7,12,,161.00 to 162.00 °C. @ 15.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DIBUTYL MALEATE,000105-76-0,5271569,dibutyl (Z)-but-2-enedioate,CCCCOC(=O)/C=C\C(=O)OCCCC,"InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7-",JBSLOWBPDRZSMB-FPLPWBNLSA-N,C12H20O4,228.28,228.1361591,2.7,52.6,209,0,0,4,10,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,1,1
2-HYDROXYETHYL METHACRYLATE,000868-77-9,13360,2-hydroxyethyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCO,"InChI=1S/C6H10O3/c1-5(2)6(8)9-4-3-7/h7H,1,3-4H2,2H3",WOBHKFSMXKNTIM-UHFFFAOYSA-N,C6H10O3,130.14,130.0629942,0.5,46.5,117,0,1,3,4,9,97 °C (closed cup),67 °C @ 3.5 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
FARNESOL,004602-84-0,445070,"(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol",CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C,"InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+",CRDAMVZIKSXKFV-YFVJMOTDSA-N,C15H26O,222.37,222.1983654,4.8,20.2,265,0,1,1,7,16,,"230 to 235 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
TRIPROPYLENEGLYCOL DIACRYLATE,042978-66-5,4128060,2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate,CC(COC(C)COC(=O)C=C)OCC(C)OC(=O)C=C,"InChI=1S/C15H24O6/c1-6-14(16)20-9-12(4)18-8-11(3)19-10-13(5)21-15(17)7-2/h6-7,11-13H,1-2,8-10H2,3-5H3",LJRSZGKUUZPHEB-UHFFFAOYSA-N,C15H24O6,300.35,300.1572885,2.2,71.1,352,0,0,6,13,21,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
ZINC DI-N-BUTYLDITHIOCARBAMATE,000136-23-2,5284483,"zinc bis(N,N-dibutylcarbamodithioate)",CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Zn+2],"InChI=1S/2C9H19NS2.Zn/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2",BOXSVZNGTQTENJ-UHFFFAOYSA-L,C18H36N2S4Zn,474.1,472.105276,,72.7,112,0,0,4,12,25,,Decomposes at 296 °C,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
METHYL 2-CYANOACRYLATE,000137-05-3,8711,methyl 2-cyanoprop-2-enoate,COC(=O)C(=C)C#N,"InChI=1S/C5H5NO2/c1-4(3-6)5(7)8-2/h1H2,2H3",MWCLLHOVUTZFKS-UHFFFAOYSA-N,C5H5NO2,111.1,111.0320284,0.6,50.1,163,0,0,3,2,8,"174 °F (NIOSH, 2024)","117 to 120 °F at 1.8 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TIN 2-ETHYLHEXANOATE,000301-10-0,9318,bis(2-ethylhexanoate);tin(2+),CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Sn+2],"InChI=1S/2C8H16O2.Sn/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",KSBAEPSJVUENNK-UHFFFAOYSA-L,C16H30O4Sn,405.1,406.116612,,80.3,93,0,0,4,8,21,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,1,0,0
CESIUM CARBONATE,000534-17-8,10796,dicesium;carbonate,C(=O)([O-])[O-].[Cs+].[Cs+],"InChI=1S/CH2O3.2Cs/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",FJDQFPXHSGXQBY-UHFFFAOYSA-L,CCs2O3,325.82,325.7956478,,63.2,18,0,0,3,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,1
ITACONIC ACID,000097-65-4,811,2-methylidenebutanedioic acid,C=C(CC(=O)O)C(=O)O,"InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)",LVHBHZANLOWSRM-UHFFFAOYSA-N,C5H6O4,130.1,130.0266087,-0.1,74.6,158,0,2,4,3,9,,"268 °C, SUBLIMES",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NEOPENTYL GLYCOL,000126-30-7,31344,"2,2-dimethylpropane-1,3-diol",CC(C)(CO)CO,"InChI=1S/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3",SLCVBVWXLSEKPL-UHFFFAOYSA-N,C5H12O2,104.15,104.0837296,0,40.5,44,0,2,2,2,7,"225 °F (USCG, 1999)","406.4 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, MONOBUTYL ESTER, MONOPOTASSIUM SALT",025238-99-7,23672342,potassium butyl hydrogen phosphate,CCCCOP(=O)(O)[O-].[K+],"InChI=1S/C4H11O4P.K/c1-2-3-4-8-9(5,6)7;/h2-4H2,1H3,(H2,5,6,7);/q;+1/p-1",XAACWXXRFIOVSG-UHFFFAOYSA-M,C4H10KO4P,192.19,191.9953773,,69.6,118,0,1,4,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM BROMIDE,007758-02-3,253877,potassium bromide,[K+].[Br-],InChI=1S/BrH.K/h1H;/q;+1/p-1,IOLCXVTUBQKXJR-UHFFFAOYSA-M,BrK,119,117.88204,,0,2,0,0,1,0,2,,"2615 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CITRIC ACID MONOHYDRATE,005949-29-1,22230,"2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate",C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O,"InChI=1S/C6H8O7.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2",YASYEJJMZJALEJ-UHFFFAOYSA-N,C6H10O8,210.14,210.0375673,,133,227,0,5,8,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TIN(II) PYROPHOSPHATE,015578-26-4,66379,phosphonato phosphate;bis(tin(2+)),[O-]P(=O)([O-])OP(=O)([O-])[O-].[Sn+2].[Sn+2],"InChI=1S/H4O7P2.2Sn/c1-8(2,3)7-9(4,5)6;;/h(H2,1,2,3)(H2,4,5,6);;/q;2*+2/p-4",GEZAUFNYMZVOFV-UHFFFAOYSA-J,O7P2Sn2,411.36,411.71574,,136,124,0,0,7,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POLYETHYLENE GLYCOL MONOSTEARATE,009004-99-3,24762,2-hydroxyethyl octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OCCO,"InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h21H,2-19H2,1H3",RFVNOJDQRGSOEL-UHFFFAOYSA-N,C20H40O3,328.5,328.2977451,7.8,46.5,241,0,1,3,19,23,MYRJ 45: 500 °F OC,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM TETRAFLUOROBORATE,014075-53-7,518872,potassium tetrafluoroborate,[B-](F)(F)(F)F.[K+],"InChI=1S/BF4.K/c2-1(3,4)5;/q-1;+1",AKEBROIVCDHVSD-UHFFFAOYSA-N,BF4K,125.91,125.9666243,,0,23,0,0,5,0,6,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANOIC ACID, 2-HYDROXY-, MONOAMMONIUM SALT",000515-98-0,62358,azanium 2-hydroxypropanoate,CC(C(=O)[O-])O.[NH4+],"InChI=1S/C3H6O3.H3N/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);1H3",RZOBLYBZQXQGFY-UHFFFAOYSA-N,C3H9NO3,107.11,107.0582431,,61.4,53,0,2,3,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SULFURIC ACID, INDIUM(3+) SALT (3:2)",013464-82-9,26044,bis(indium(3+));trisulfate,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[In+3].[In+3],"InChI=1S/2In.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",XGCKLPDYTQRDTR-UHFFFAOYSA-H,In2O12S3,517.8,517.6629465,,266,62,0,0,12,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(OC-6-11)-HEXAFLUOROALUMINATE(3-) TRIPOTASSIUM,013775-52-5,160989,aluminum;tripotassium;hexafluoride,[F-].[F-].[F-].[F-].[F-].[F-].[Al+3].[K+].[K+].[K+],InChI=1S/Al.6FH.3K/h;6*1H;;;/q+3;;;;;;;3*+1/p-6,ZIZQEDPMQXFXTE-UHFFFAOYSA-H,AlF6K3,258.267,257.8630768,,0,0,0,0,6,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ISODECANOL,025339-17-7,32898,8-methylnonan-1-ol,CC(C)CCCCCCCO,"InChI=1S/C10H22O/c1-10(2)8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3",PLLBRTOLHQQAQQ-UHFFFAOYSA-N,C10H22O,158.28,158.1670653,3.8,20.2,69,0,1,1,7,11,"220 °F (USCG, 1999)","428 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"6-OCTEN-1-YN-3-OL, 3,7-DIMETHYL-",029171-20-8,62842,"3,7-dimethyloct-6-en-1-yn-3-ol",CC(=CCCC(C)(C#C)O)C,"InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h1,7,11H,6,8H2,2-4H3",YWTIDNZYLFTNQQ-UHFFFAOYSA-N,C10H16O,152.23,152.1201151,2.2,20.2,190,0,1,1,4,11,85 °C,198.00 to 199.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
OLEAMIDE,000301-02-0,5283387,(Z)-octadec-9-enamide,CCCCCCCC/C=C\CCCCCCCC(=O)N,"InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9-",FATBGEAMYMYZAF-KTKRTIGZSA-N,C18H35NO,281.5,281.2718647,6.6,43.1,236,0,1,1,15,20,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-HEXADECEN-3-OL, 3,7,11,15-TETRAMETHYL-",000505-32-8,10453,"3,7,11,15-tetramethylhexadec-1-en-3-ol",CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O,"InChI=1S/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3",KEVYVLWNCKMXJX-UHFFFAOYSA-N,C20H40O,296.5,296.3079159,7.8,20.2,259,0,1,1,13,21,,107-110 °C at 0.01 mm Hg; 125-128 °C at 0.06 mm Hg,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
INDIUM OXIDE,001312-43-2,150905,bis(indium(3+));tris(oxygen(2-)),[O-2].[O-2].[O-2].[In+3].[In+3],InChI=1S/2In.3O/q2*+3;3*-2,PJXISJQVUVHSOJ-UHFFFAOYSA-N,In2O3,277.63,277.7925014,,3,0,0,0,3,0,5,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
VANADIUM TRIOXIDE,001314-34-7,518710,oxo(oxovanadiooxy)vanadium,O=[V]O[V]=O,InChI=1S/3O.2V,KFAFTZQGYMGWLU-UHFFFAOYSA-N,O3V2,149.881,149.872659,,43.4,34,0,0,3,0,5,,Approximately 3000 °C,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEXACHLOROETHANE,000067-72-1,6214,"1,1,1,2,2,2-hexachloroethane",C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl,"InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8",VHHHONWQHHHLTI-UHFFFAOYSA-N,C2Cl6,236.7,235.810166,4.1,0,61,0,0,0,0,8,,"368.2 °F at 760 mmHg (Sublimes) (NTP, 1992)",1,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAKIS(2-METHOXYETHOXY)SILANE,002157-45-1,75087,tetrakis(2-methoxyethyl) silicate,COCCO[Si](OCCOC)(OCCOC)OCCOC,"InChI=1S/C12H28O8Si/c1-13-5-9-17-21(18-10-6-14-2,19-11-7-15-3)20-12-8-16-4/h5-12H2,1-4H3",JSECNWXDEZOMPD-UHFFFAOYSA-N,C12H28O8Si,328.43,328.1553444,,73.8,174,0,0,8,16,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
"BORIC ACID, POTASSIUM SALT",012712-38-8,12816516,tripotassium;borate,B([O-])([O-])[O-].[K+].[K+].[K+],InChI=1S/BO3.3K/c2-1(3)4;;;/q-3;3*+1,WUUHFRRPHJEEKV-UHFFFAOYSA-N,BK3O3,176.11,175.8851685,,69.2,8,0,0,3,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"BORIC ACID (HBO2), CALCIUM SALT",013701-64-9,10290800,calcium oxido(oxo)borane,B(=O)[O-].B(=O)[O-].[Ca+2],InChI=1S/2BO2.Ca/c2*2-1-3;/q2*-1;+2,ILOKQJWLMPPMQU-UHFFFAOYSA-N,B2CaO4,125.7,125.9608597,,80.3,7,0,0,4,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BORIC ACID (HBO2), SODIUM SALT",007775-19-1,145326,sodium oxido(oxo)borane,B(=O)[O-].[Na+],InChI=1S/BO2.Na/c2-1-3;/q-1;+1,NVIFVTYDZMXWGX-UHFFFAOYSA-N,BNaO2,65.8,65.9889037,,40.1,13,0,0,2,0,4,,1434 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
YTTRIUM 2-ETHYLHEXANOATE,103470-68-4,15607674,tris(2-ethylhexanoate);yttrium(3+),CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Y+3],"InChI=1S/3C8H16O2.Y/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3",AGOMHFKGCMKLDA-UHFFFAOYSA-K,C24H45O6Y,518.5,518.227452,,120,93,0,0,6,12,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
AMMONIUM PENTABORATE TETRAHYDRATE,012229-12-8,16204493,azanium pentaborate,B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].[NH4+],InChI=1S/5BO3.H3N/c5*2-1(3)4;/h;;;;;1H3/q5*-3;/p+1,KYFDJSOTPVQVTQ-UHFFFAOYSA-O,B5H4NO15-14,312.1,312.0082509,,347,8,-14,1,15,0,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5,7,12-TRIOXA-6-STANNAOCTADECA-2,9-DIENOIC ACID, 14-ETHYL-6,6-DIOCTYL-4,8,11-T",010039-33-5,16684161,4-O-[[(E)-4-(2-ethylhexoxy)-4-oxobut-2-enoyl]oxy-dioctylstannyl] 1-O-(2-ethylhexyl) (E)-but-2-enedioate,CCCCCCCC[Sn](OC(=O)/C=C/C(=O)OCC(CCCC)CC)(OC(=O)/C=C/C(=O)OCC(CCCC)CC)CCCCCCCC,"InChI=1S/2C12H20O4.2C8H17.Sn/c2*1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14;2*1-3-5-7-8-6-4-2;/h2*7-8,10H,3-6,9H2,1-2H3,(H,13,14);2*1,3-8H2,2H3;/q;;;;+2/p-2/b2*8-7+;;;",LUHRVCWDUSUHMP-FTHVFMQUSA-L,C40H72O8Sn,799.7,800.424922,,105,857,0,0,8,36,49,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
INDIUM TIN OXIDE,050926-11-9,57350325,,O=[Sn].[In],InChI=1S/In.O.Sn,AMGQUBHHOARCQH-UHFFFAOYSA-N,InOSn,249.53,250.800996,,17.1,2,0,0,1,0,3,,Sublimes at 982 °C,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,1,1
DI(2-ETHYLHEXYL) MALEATE,000142-16-5,5365125,bis(2-ethylhexyl) (Z)-but-2-enedioate,CCCCC(CC)COC(=O)/C=C\C(=O)OCC(CC)CCCC,"InChI=1S/C20H36O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3/b14-13-",ROPXFXOUUANXRR-YPKPFQOOSA-N,C20H36O4,340.5,340.2613596,6.5,52.6,329,0,0,4,16,24,185 °C CC,164 °C @ 10 MM HG,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
TRIOCTYLAMINE,001116-76-3,14227,"N,N-dioctyloctan-1-amine",CCCCCCCCN(CCCCCCCC)CCCCCCCC,"InChI=1S/C24H51N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3",XTAZYLNFDRKIHJ-UHFFFAOYSA-N,C24H51N,353.7,353.4021506,10.5,3.2,188,0,0,1,21,25,,,1,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,1
"PENTADECAFLUOROOCTANOIC ACID, SILVER(1+) SALT",000335-93-3,71079,"silver 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate",C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-].[Ag+],"InChI=1S/C8HF15O2.Ag/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1",HXWHIGAHMKKVBV-UHFFFAOYSA-M,C8AgF15O2,520.93,519.87097,,40.1,525,0,0,17,5,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
UNDECENAL,001337-83-3,5283356,(E)-undec-2-enal,CCCCCCCC/C=C/C=O,"InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3/b10-9+",PANBRUWVURLWGY-MDZDMXLPSA-N,C11H20O,168.28,168.1514153,4.2,17.1,116,0,0,1,8,12,,115.00 °C. @ 10.00 mm Hg,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
SODIUM STEARATE,000822-16-2,2724691,sodium octadecanoate,CCCCCCCCCCCCCCCCCC(=O)[O-].[Na+],"InChI=1S/C18H36O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1",RYYKJJJTJZKILX-UHFFFAOYSA-M,C18H35NaO2,306.5,306.2534746,,40.1,207,0,0,2,16,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,1,1,2,3,4,4,5,5,5-DECAFLUOROPENTANE",138495-42-8,86240,"1,1,1,2,2,3,4,5,5,5-decafluoropentane",C(C(C(F)(F)F)F)(C(C(F)(F)F)(F)F)F,"InChI=1S/C5H2F10/c6-1(2(7)4(10,11)12)3(8,9)5(13,14)15/h1-2H",RIQRGMUSBYGDBL-UHFFFAOYSA-N,C5H2F10,252.05,251.9996817,3.9,0,211,0,0,10,2,15,">125.00 °C /1,1,1,2,3,4,4,5,5,5-Decafluoropentane/",55 °C,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
2-ETHYL-1-HEXANOL,000104-76-7,7720,2-ethylhexan-1-ol,CCCCC(CC)CO,"InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3",YIWUKEYIRIRTPP-UHFFFAOYSA-N,C8H18O,130.23,130.1357652,3.1,20.2,52,0,1,1,5,9,"178 °F (NTP, 1992)","363 to 365 °F at 760 mmHg (NTP, 1992)",0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, ZIRCONIUM(4+) SALT",004229-34-9,24237,zirconium(4+) tetraacetate,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Zr+4],"InChI=1S/4C2H4O2.Zr/c4*1-2(3)4;/h4*1H3,(H,3,4);/q;;;;+4/p-4",MFFVROSEPLMJAP-UHFFFAOYSA-J,C8H12O8Zr,327.4,325.957916,,161,25,0,0,8,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PERFLUOROOCTYL IODIDE,000507-63-1,10491,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodooctane",C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C8F17I/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26",KWXGJTSJUKTDQU-UHFFFAOYSA-N,C8F17I,545.96,545.87733,6.8,0,527,0,0,17,6,26,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-HEXANESULFONAMIDE, 1,1,2,2,3,3,4,4,5,5,6,6,6-TRIDECAFLUORO-N-METHYL-",068259-15-4,109952,"1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-methylhexane-1-sulfonamide",CNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C7H4F13NO2S/c1-21-24(22,23)7(19,20)5(14,15)3(10,11)2(8,9)4(12,13)6(16,17)18/h21H,1H3",HPPDPHZGXWMRHN-UHFFFAOYSA-N,C7H4F13NO2S,413.16,412.9755157,3.9,54.6,572,0,1,16,6,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIYTTRIUM TRIOXIDE,001314-36-9,159374,tris(oxygen(2-));bis(yttrium(3+)),[O-2].[O-2].[O-2].[Y+3].[Y+3],InChI=1S/3O.2Y/q3*-2;2*+3,RUDFQVOCFDJEEF-UHFFFAOYSA-N,O3Y2,225.81,225.79642,,3,0,0,0,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CHORIONIC GONADOTROPIN,009002-61-3,4369448,(2S)-2-amino-6-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-6-oxohexanoic acid,C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CS)C(=O)NCC(=O)O,"InChI=1S/C11H19N3O6S/c12-6(11(19)20)2-1-3-8(15)14-7(5-21)10(18)13-4-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1",XFOOPZIJVVDYHI-BQBZGAKWSA-N,C11H19N3O6S,321.35,321.0994565,-4.1,160,403,0,6,8,10,21,,,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0,0,1,1,0
CHROMIUM(6+) DIBORIDE,012007-16-8,6336856,,[B].[B].[Cr],InChI=1S/2B.Cr,UHPOHYZTPBGPKO-UHFFFAOYSA-N,B2Cr,73.62,73.959115,,0,0,0,0,0,0,3,,,1,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0
NEODYMIUM IODIDE,013813-24-6,83745,triiodoneodymium,I[Nd](I)I,InChI=1S/3HI.Nd/h3*1H;/q;;;+3/p-3,DKSXWSAKLYQPQE-UHFFFAOYSA-K,I3Nd,524.96,522.6211,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0
IRON SULFIDE,012068-85-8,123110,,[S-][S-].[Fe+2],InChI=1S/Fe.S2/c;1-2/q+2;-2,NIFIFKQPDTWWGU-UHFFFAOYSA-N,FeS2,119.98,119.879078,,2,2,0,0,2,0,3,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1,0,0
NICKEL CYANIDE,000557-19-7,6093189,nickel(2+) dicyanide,[C-]#N.[C-]#N.[Ni+2],InChI=1S/2CN.Ni/c2*1-2;/q2*-1;+2,NLEUXPOVZGDKJI-UHFFFAOYSA-N,C2N2Ni,110.73,109.94149,,47.6,10,0,0,4,0,5,"Not Applicable. Not flammable. (USCG, 1999)","Decomposes. (USCG, 1999)",1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1,1,0
TRANS-PLATINUM-II-DIAMINE DICHLORIDE,014913-33-8,441203,azane;dichloroplatinum(2+),N.N.Cl[Pt+2]Cl,InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+4/p-2,BSJGASKRWFKGMV-UHFFFAOYSA-L,Cl2H6N2Pt+2,300.05,298.955598,,2,7,2,2,2,0,5,,,0,0,0,0,0,1,0,1,0,0,1,0,0,1,1,0,0,1,0,0
COBALT IRON OXIDE,012052-28-7,44602546,cobalt(2+);bis(iron(3+));tetrakis(oxygen(2-)),[O-2].[O-2].[O-2].[O-2].[Fe+3].[Fe+3].[Co+2],InChI=1S/Co.2Fe.4O/q+2;2*+3;4*-2,MMOVVVBHLUGHGW-UHFFFAOYSA-N,CoFe2O4,234.62,234.782723,,4,0,0,0,4,0,7,,,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0,0,1,1,0
"COPPER CHROMITE, BARIUM PROMOTED",099328-50-4,168006805,,N.N.[N+](=O)(O)[O-].[N+](=O)(O)[O-].O[Cr](=O)(=O)O.[Cu].[Ba],"InChI=1S/Ba.Cr.Cu.2HNO3.2H3N.2H2O.2O/c;;;2*2-1(3)4;;;;;;/h;;;2*(H,2,3,4);2*1H3;2*1H2;;/q;+2;;;;;;;;;/p-2",WJJZLLHSHLVOJE-UHFFFAOYSA-L,BaCrCuH10N4O10,478.97,478.815041,,209,106,0,6,12,0,17,,,0,0,0,0,0,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0
NICKEL BORIDE,012007-00-0,82791,boranylidynenickel,B#[Ni],InChI=1S/B.Ni,QDWJUBJKEHXSMT-UHFFFAOYSA-N,BNi,69.51,68.944647,,0,10,0,0,0,0,2,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,1,0
"HYDRAZINECARBOXIMIDAMIDE, SULFATE (2:1)",000996-19-0,2734952,bis(2-aminoguanidine);sulfuric acid,C(=NN)(N)N.C(=NN)(N)N.OS(=O)(=O)O,"InChI=1S/2CH6N4.H2O4S/c2*2-1(3)5-4;1-5(2,3)4/h2*4H2,(H4,2,3,5);(H2,1,2,3,4)",VKGQPUZNCZPZKI-UHFFFAOYSA-N,C2H14N8O4S,246.25,246.0858721,,264,123,0,8,8,0,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,1,0,0
NICKEL(II) PHOSPHATE HYDRATE,027176-17-6,71317428,tris(nickel(2+));diphosphate;hydrate,O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ni+2].[Ni+2].[Ni+2],"InChI=1S/3Ni.2H3O4P.H2O/c;;;2*1-5(2,3)4;/h;;;2*(H3,1,2,3,4);1H2/q3*+2;;;/p-6",PZLMPZGLQBNCKC-UHFFFAOYSA-H,H2Ni3O9P2,384.04,383.718874,,174,36,0,1,9,0,14,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1,1,0
"POLY(1,4-BUTYLENE SUCCINATE), EXTENDED WITH 1,6- DIISOCYANATOHEXANE",143606-53-5,156593869,"butanedioic acid;butane-1,4-diol;1,6-diisocyanatohexane",C(CCCN=C=O)CCN=C=O.C(CCO)CO.C(CC(=O)O)C(=O)O,"InChI=1S/C8H12N2O2.C4H6O4.C4H10O2/c11-7-9-5-3-1-2-4-6-10-8-12;5-3(6)1-2-4(7)8;5-3-1-2-4-6/h1-6H2;1-2H2,(H,5,6)(H,7,8);5-6H,1-4H2",ZZJQLLHZQMYHEA-UHFFFAOYSA-N,C16H28N2O8,376.4,376.1845659,,174,279,0,4,10,13,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
1-IODO-2-(2-IODOETHOXY)ETHANE,034270-90-1,3430779,1-iodo-2-(2-iodoethoxy)ethane,C(CI)OCCI,InChI=1S/C4H8I2O/c5-1-3-7-4-2-6/h1-4H2,XWYDQETVMJZUOJ-UHFFFAOYSA-N,C4H8I2O,325.91,325.86646,2.3,9.2,28,0,0,1,4,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"2,4,7,9-TETRAMETHYL-5-DECYNE-4,7-DIOL",000126-86-3,31362,"2,4,7,9-tetramethyldec-5-yne-4,7-diol",CC(C)CC(C)(C#CC(C)(CC(C)C)O)O,"InChI=1S/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3",LXOFYPKXCSULTL-UHFFFAOYSA-N,C14H26O2,226.35,226.1932801,2.7,40.5,256,0,2,2,6,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"3-HEXYNE-2,5-DIOL, 2,5-DIMETHYL-",000142-30-3,8883,"2,5-dimethylhex-3-yne-2,5-diol",CC(C)(C#CC(C)(C)O)O,"InChI=1S/C8H14O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,1-4H3",IHJUECRFYCQBMW-UHFFFAOYSA-N,C8H14O2,142.2,142.0993797,0.1,40.5,160,0,2,2,2,10,,205 °C @ 759 MM HG,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
"ACETIC ACID, COBALT(3+) SALT",000917-69-1,61231,cobalt(3+) triacetate,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Co+3],"InChI=1S/3C2H4O2.Co/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",ZUKDFIXDKRLHRB-UHFFFAOYSA-K,C6H9CoO6,236.06,235.973107,,120,25,0,0,6,0,13,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,1,0,0,1,1,1
ALUMINUM COBALT OXIDE (AL2COO4),001333-88-6,71816266,dialuminum;cobalt(2+);tetrakis(oxygen(2-)),[O-2].[O-2].[O-2].[O-2].[Al+3].[Al+3].[Co+2],InChI=1S/2Al.Co.4O/q2*+3;+2;4*-2,LTXHKPDRHPMBKA-UHFFFAOYSA-N,Al2CoO4,176.894,176.875929,,4,0,0,0,4,0,7,,,0,0,0,0,0,1,0,1,0,0,1,0,0,1,1,0,0,1,0,0
ALUMINUM NICKEL OXIDE (AL2NIO4),012004-35-2,44149031,dialuminum;nickel(2+);tetrakis(oxygen(2-)),[O-2].[O-2].[O-2].[O-2].[Al+3].[Al+3].[Ni+2],InChI=1S/2Al.Ni.4O/q2*+3;+2;4*-2,OADDCINVIUHXGF-UHFFFAOYSA-N,Al2NiO4,176.654,175.878077,,4,0,0,0,4,0,7,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1,0
"COBALT, BIS[CARBONATO(2-)]HEXAHYDROXYPENTA-",012602-23-2,14274759,pentakis(cobalt(2+));dicarbonate;hexahydroxide,C(=O)([O-])[O-].C(=O)([O-])[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Co+2].[Co+2].[Co+2].[Co+2].[Co+2],"InChI=1S/2CH2O3.5Co.6H2O/c2*2-1(3)4;;;;;;;;;;;/h2*(H2,2,3,4);;;;;;6*1H2/q;;5*+2;;;;;;/p-10",HIYNGBUQYVBFLA-UHFFFAOYSA-D,C2H6Co5O12,516.73,516.65189,,132,18,0,6,12,0,19,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0
MOLYBDENUM NICKEL OXIDE,012673-58-4,44149518,molybdenum;nickel(2+);tetrakis(oxygen(2-)),[O-2].[O-2].[O-2].[O-2].[Ni+2].[Mo],InChI=1S/Mo.Ni.4O/q;+2;4*-2,NMOQDZSTICHOQM-UHFFFAOYSA-N,MoNiO4-6,218.64,219.820404,,4,0,-6,0,4,0,6,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1,0
"PHOSPHINODITHIOIC ACID, BIS(2-METHYLPROPYL)-, SODIUM SALT",013360-78-6,23672293,sodium bis(2-methylpropyl)-sulfanylidene-sulfido-lambda5-phosphane,CC(C)CP(=S)(CC(C)C)[S-].[Na+],"InChI=1S/C8H19PS2.Na/c1-7(2)5-9(10,11)6-8(3)4;/h7-8H,5-6H2,1-4H3,(H,10,11);/q;+1/p-1",OJNSBQOHIIYIQN-UHFFFAOYSA-M,C8H18NaPS2,232.3,232.0485242,,33.1,143,0,0,2,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
PRASEODYMIUM IODIDE (PRI3),013813-23-5,83744,triiodopraseodymium,I[Pr](I)I,InChI=1S/3HI.Pr/h3*1H;/q;;;+3/p-3,PVEVRIVGNKNWML-UHFFFAOYSA-K,I3Pr,521.6211,521.6211,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0
"DIPHOSPHORIC ACID, COBALT(2+) SALT (1:2)",014640-56-3,167130,bis(cobalt(2+));phosphonato phosphate,[O-]P(=O)([O-])OP(=O)([O-])[O-].[Co+2].[Co+2],"InChI=1S/2Co.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+2;/p-4",JECJVZVHLPZRNM-UHFFFAOYSA-J,Co2O7P2,291.81,291.778313,,136,124,0,0,7,0,11,,,1,0,0,0,0,1,1,0,0,0,1,0,0,1,0,0,0,1,0,0
DYSPROSIUM IODIDE (DYI3),015474-63-2,84931,dysprosium(3+) triiodide,[I-].[I-].[I-].[Dy+3],InChI=1S/Dy.3HI/h;3*1H/q+3;;;/p-3,RZQFCZYXPRKMTP-UHFFFAOYSA-K,DyI3,543.213,544.6426,,0,0,0,0,3,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0
"CHROMIC ACID (H2CR2O7), NICKEL(2+) SALT (1:1)",015586-38-6,85002,nickel(2+);oxido-(oxido(dioxo)chromio)oxy-dioxochromium,[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].[Ni+2],InChI=1S/2Cr.Ni.7O/q;;+2;;;;;;2*-1,PLHASFSAGNOMLM-UHFFFAOYSA-N,Cr2NiO7,274.68,273.780753,,124,194,0,0,7,0,10,,,1,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,0,1,1,0
NICKEL URANIUM OXIDE (NIU3O10),015780-33-3,85096,,[O-][U](=O)(=O)O[U](=O)(=O)O[U](=O)(=O)[O-].[Ni+2],InChI=1S/Ni.10O.3U/q+2;;;;;;;;;2*-1;;;,WTMASFUHFYWMEU-UHFFFAOYSA-N,NiO10U3,932.77,932.03685,,167,371,0,0,10,2,14,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1,0
"TELLURIC ACID (H2TEO3), NICKEL(2+) SALT (1:1)",015851-52-2,167478,nickel(2+) tellurite,[O-][Te](=O)[O-].[Ni+2],"InChI=1S/Ni.H2O3Te/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-2",CMLGVHIYOLIDTE-UHFFFAOYSA-L,NiO3Te,234.3,235.826308,,63.2,18,0,0,3,0,5,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1,1,0
"TELLURIC ACID (H2TEO4), NICKEL(2+) SALT (1:1)",015852-21-8,167483,nickel(2+) tellurate,[O-][Te](=O)(=O)[O-].[Ni+2],"InChI=1S/Ni.H2O4Te/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2",JWTUERYYWTZBJA-UHFFFAOYSA-L,NiO4Te,250.3,251.821223,,80.3,62,0,0,4,0,6,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1,1,0
"SILICATE(2-), HEXAFLUORO-, NICKEL(2+) (1:1)",026043-11-8,13955720,hexafluorosilicon(2-);nickel(2+),F[Si-2](F)(F)(F)(F)F.[Ni+2],"InChI=1S/F6Si.Ni/c1-7(2,3,4,5)6;/q-2;+2",DTEGYNSFDBDJNH-UHFFFAOYSA-N,F6NiSi,200.769,199.902687,,0,62,0,0,7,0,8,,,1,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,0,1,1,0
"1-OCTANESULFONYL CHLORIDE, 3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUORO-",027619-89-2,119685,"3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonyl chloride",C(CS(=O)(=O)Cl)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C8H4ClF13O2S/c9-25(23,24)2-1-3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h1-2H2",NDBZVZPOTNLWLU-UHFFFAOYSA-N,C8H4ClF13O2S,446.61,445.9412943,5.2,42.5,588,0,0,15,7,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"SILICIC ACID (H2SIO3), NICKEL(2+) SALT (4:3)",031748-25-1,169355,tetrakis(dioxido(oxo)silane);tris(nickel(2+)),[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[Ni+2].[Ni+2].[Ni+2],InChI=1S/3Ni.4O3Si/c;;;4*1-4(2)3/q3*+2;4*-2,ASXBPHUHJDRIAA-UHFFFAOYSA-N,Ni3O12Si4-2,480.41,479.64815,,253,18,-2,0,12,0,19,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,1,0
"SILICIC ACID, NICKEL SALT",037321-15-6,169908,dioxido(oxo)silane;nickel(2+),[O-][Si](=O)[O-].[Ni+2],InChI=1S/Ni.O3Si/c;1-4(2)3/q+2;-2,FMQXRRZIHURSLR-UHFFFAOYSA-N,NiO3Si,134.777,133.897012,,63.2,18,0,0,3,0,5,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,1,0
"HEXANEDIOIC ACID, ESTER WITH 2,2-BIS(HYDROXYMETHYL)-1,3-PROPANEDIOL",052627-55-1,104264,"2,2-bis(hydroxymethyl)propane-1,3-diol;hexanedioic acid",C(CCC(=O)O)CC(=O)O.C(C(CO)(CO)CO)O,"InChI=1S/C6H10O4.C5H12O4/c7-5(8)3-1-2-4-6(9)10;6-1-5(2-7,3-8)4-9/h1-4H2,(H,7,8)(H,9,10);6-9H,1-4H2",NAEDWKNFXVUORY-UHFFFAOYSA-N,C11H22O8,282.29,282.1314677,,156,166,0,6,8,9,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
CHROMIUM COBALT IRON OXIDE,063497-09-6,6454624,chromium(3+);cobalt(2+);iron(3+);tetrakis(oxygen(2-)),[O-2].[O-2].[O-2].[O-2].[Cr+3].[Fe+3].[Co+2],InChI=1S/Co.Cr.Fe.4O/q+2;2*+3;4*-2,JGKGEXCILSDQBF-UHFFFAOYSA-N,CoCrFeO4,230.77,230.788292,,4,0,0,0,4,0,7,,,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0,0,1,1,0
"CHLORIC ACID, NICKEL(2+) SALT",067952-43-6,162212,nickel(2+) dichlorate,[O-]Cl(=O)=O.[O-]Cl(=O)=O.[Ni+2],"InChI=1S/2ClHO3.Ni/c2*2-1(3)4;/h2*(H,2,3,4);/q;;+2/p-2",RZLUIDROFNIMHF-UHFFFAOYSA-L,Cl2NiO6,225.59,223.842535,,114,36,0,0,6,0,9,,,1,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,0,1,1,0
"1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, AMMONIUM NICKEL(2+) SALT (2:2:1)",068025-13-8,172101,"azanium;2-hydroxypropane-1,2,3-tricarboxylate;nickel(2+)",C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[NH4+].[Ni+2],"InChI=1S/C6H8O7.H3N.Ni/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3;/q;;+2/p-2",QVIDGJRVLOQYJX-UHFFFAOYSA-L,C6H9NNiO7,265.83,264.973243,,142,211,0,2,7,2,15,,,1,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,0,1,1,0
MOLYBDENUM NICKEL HYDROXIDE OXIDE PHOSPHATE,068130-36-9,176236,molybdenum;nickel(2+);oxygen(2-);hydroxide;phosphate,[OH-].[O-2].[O-]P(=O)([O-])[O-].[Ni+2].[Mo],"InChI=1S/Mo.Ni.H3O4P.H2O.O/c;;1-5(2,3)4;;/h;;(H3,1,2,3,4);1H2;/q;+2;;;-2/p-4",KNQDGGOTQNRXGB-UHFFFAOYSA-J,HMoNiO6P-4,282.62,283.79182,,88.3,36,-4,1,6,0,9,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1,1,0
C.I. PIGMENT GREEN 50,068186-85-6,162786626,calcium;lithium;magnesium;zinc;cobalt(2+);iron(3+);nickel(2+);oxygen(2-);titanium(4+),[Li+].[O-2].[Mg+2].[Ca+2].[Ti+4].[Fe+3].[Co+2].[Ni+2].[Zn+2],InChI=1S/Ca.Co.Fe.Li.Mg.Ni.O.Ti.Zn/q2*+2;+3;+1;2*+2;-2;+4;+2,JOZKGELABZLNCA-UHFFFAOYSA-N,CaCoFeLiMgNiOTiZn+16,374.1,371.639104,,1,0,16,0,1,0,9,,,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0,0,1,1,0
NICKEL ZIRCONIUM OXIDE (NIZRO3),070692-93-2,172568,nickel(2+);tris(oxygen(2-));zirconium(4+),[O-2].[O-2].[O-2].[Ni+2].[Zr+4],InChI=1S/Ni.3O.Zr/q+2;3*-2;+4,IOKPLNQRQWZPGF-UHFFFAOYSA-N,NiO3Zr,197.91,195.824784,,3,0,0,0,3,0,5,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1,0
"PHOSPHINODITHIOIC ACID, DIBUTYL-, SODIUM SALT",071550-48-6,23710478,sodium dibutyl-sulfanylidene-sulfido-lambda5-phosphane,CCCCP(=S)(CCCC)[S-].[Na+],"InChI=1S/C8H19PS2.Na/c1-3-5-7-9(10,11)8-6-4-2;/h3-8H2,1-2H3,(H,10,11);/q;+1/p-1",VVYDGZBJOATDQQ-UHFFFAOYSA-M,C8H18NaPS2,232.3,232.0485242,,33.1,127,0,0,2,6,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"ISONONANOIC ACID, NICKEL(2+) SALT",084852-37-9,174395,bis(7-methyloctanoate);nickel(2+),CC(C)CCCCCC(=O)[O-].CC(C)CCCCCC(=O)[O-].[Ni+2],"InChI=1S/2C9H18O2.Ni/c2*1-8(2)6-4-3-5-7-9(10)11;/h2*8H,3-7H2,1-2H3,(H,10,11);/q;;+2/p-2",MQECQEPRKLPYHX-UHFFFAOYSA-L,C18H34NiO4,373.2,372.181051,,80.3,103,0,0,4,10,23,,,1,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,0,1,1,0
3-((bis(2-methylpropoxy)phosphinothioyl)thio)-2-methylpropanoic acid,268567-32-4,57357853,3-[bis(2-methylpropoxy)phosphinothioylsulfanyl]-2-methylpropanoic acid,CC(C)COP(=S)(OCC(C)C)SCC(C)C(=O)O,"InChI=1S/C12H25O4PS2/c1-9(2)6-15-17(18,16-7-10(3)4)19-8-11(5)12(13)14/h9-11H,6-8H2,1-5H3,(H,13,14)",NPRQLWMILWHEDI-UHFFFAOYSA-N,C12H25O4PS2,328.4,328.0931886,4.4,113,305,0,1,6,10,19,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
COBALT LITHIUM MANGANESE NICKEL OXIDE,179802-95-0,169407970,dilithium;bis(cobalt(2+));bis(manganese(2+));bis(nickel(2+));heptakis(oxygen(2-)),[Li+].[Li+].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Mn+2].[Mn+2].[Co+2].[Co+2].[Ni+2].[Ni+2],InChI=1S/2Co.2Li.2Mn.2Ni.7O/q2*+2;2*+1;4*+2;7*-2,FGGMMDCONZKOHF-UHFFFAOYSA-N,Co2Li2Mn2Ni2O7,471.1,469.60957,,7,0,0,0,7,0,15,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1,1,0
NICKEL IODIDE,013462-90-3,26038,diiodonickel,[Ni](I)I,InChI=1S/2HI.Ni/h2*1H;/q;;+2/p-2,BFSQJYRFLQUZKX-UHFFFAOYSA-L,I2Ni,312.502,311.74429,,0,2,0,0,0,0,3,,,1,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,0,1,1,0
MAGNESIUM CHROMATE HYDRATE,016569-85-0,516851,magnesium;dioxido(dioxo)chromium;hydrate,O.[O-][Cr](=O)(=O)[O-].[Mg+2],InChI=1S/Cr.Mg.H2O.4O/h;;1H2;;;;/q;+2;;;;2*-1,BWDANDPWLRGULC-UHFFFAOYSA-N,CrH2MgO5,158.31,157.91577,,81.3,62,0,1,5,0,7,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
ACETYL TRIETHYL CITRATE,000077-89-4,6504,"triethyl 2-acetyloxypropane-1,2,3-tricarboxylate",CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)OC(=O)C,"InChI=1S/C14H22O8/c1-5-19-11(16)8-14(22-10(4)15,13(18)21-7-3)9-12(17)20-6-2/h5-9H2,1-4H3",WEAPVABOECTMGR-UHFFFAOYSA-N,C14H22O8,318.32,318.1314677,0.6,105,395,0,0,8,13,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
DIBUTYL FUMARATE,000105-75-9,5271570,dibutyl (E)-but-2-enedioate,CCCCOC(=O)/C=C/C(=O)OCCCC,"InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+",JBSLOWBPDRZSMB-BQYQJAHWSA-N,C12H20O4,228.28,228.1361591,2.7,52.6,209,0,0,4,10,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
MERCURIC SULFIDE,001344-48-5,62402,sulfanylidenemercury,S=[Hg],InChI=1S/Hg.S,QXKXDIKCIPXUPL-UHFFFAOYSA-N,HgS,232.66,233.942715,,32.1,2,0,0,1,0,2,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
SUCCINAMIDE,000110-14-5,8036,butanediamide,C(CC(=O)N)C(=O)N,"InChI=1S/C4H8N2O2/c5-3(7)1-2-4(6)8/h1-2H2,(H2,5,7)(H2,6,8)",SNCZNSNPXMPCGN-UHFFFAOYSA-N,C4H8N2O2,116.12,116.0585775,-2.1,86.2,96,0,2,2,3,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
ETHYLENE DIMETHACRYLATE,000097-90-5,7355,2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCOC(=O)C(=C)C,"InChI=1S/C10H14O4/c1-7(2)9(11)13-5-6-14-10(12)8(3)4/h1,3,5-6H2,2,4H3",STVZJERGLQHEKB-UHFFFAOYSA-N,C10H14O4,198.22,198.0892089,1.9,52.6,237,0,0,4,7,14,101 °C c.c.,260,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1
POTASSIUM NIOBATE,012030-85-2,166177182,octapotassium;hexakis(niobium(5+));nonadecakis(oxygen(2-)),[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[Nb+5].[Nb+5].[Nb+5].[Nb+5].[Nb+5].[Nb+5],InChI=1S/8K.6Nb.19O/q8*+1;6*+5;19*-2,GCDFIJPZDKYCQY-UHFFFAOYSA-N,K8Nb6O19,1174.21,1173.05127,,19,0,0,0,19,0,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
HYDROXYPROPYL METHACRYLATE,027813-02-1,34023,1-hydroxypropan-2-yl 2-methylprop-2-enoate,CC(CO)OC(=O)C(=C)C,"InChI=1S/C7H12O3/c1-5(2)7(9)10-6(3)4-8/h6,8H,1,4H2,2-3H3",ZMARGGQEAJXRFP-UHFFFAOYSA-N,C7H12O3,144.17,144.0786442,1.2,46.5,140,0,1,3,4,10,"250 °F (USCG, 1999)",Boiling point: 87 °C @ 0.67 kPa; Specific gravity: 1.028 @ 25 °C /2-Hydroxypropyl methacrylate/,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
PYRUVIC ACID SODIUM,000113-24-6,23662274,sodium 2-oxopropanoate,CC(=O)C(=O)[O-].[Na+],"InChI=1S/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1",DAEPDZWVDSPTHF-UHFFFAOYSA-M,C3H3NaO3,110.04,109.9979882,,57.2,88,0,0,3,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
GALLIUM NITRIDE,025617-97-4,117559,azanylidynegallane,N#[Ga],InChI=1S/Ga.N,JMASRVWKEDWRBT-UHFFFAOYSA-N,GaN,83.73,82.92865,,23.8,10,0,0,1,0,2,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
CERIUM TUNGSTEN OXIDE,013454-74-5,166812,bis(cerium(3+));nonakis(oxygen(2-));tungsten,[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Ce+3].[Ce+3].[W].[W],InChI=1S/2Ce.9O.2W/q2*+3;9*-2;;,PMMOMAJHUNGVIB-UHFFFAOYSA-N,Ce2O9W2-12,791.9,793.67043,,9,0,-12,0,9,0,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
ACETALDEHYDE SODIUM BISULFITE,000918-04-7,23683752,sodium 1-hydroxyethanesulfonate,CC(O)S(=O)(=O)[O-].[Na+],"InChI=1S/C2H6O4S.Na/c1-2(3)7(4,5)6;/h2-3H,1H3,(H,4,5,6);/q;+1/p-1",CZDZQGXAHZVGPL-UHFFFAOYSA-M,C2H5NaO4S,148.12,147.9806241,,85.8,133,0,1,4,1,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
LINOLENIC ACID,000463-40-1,5280934,"(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-",DTOSIQBPPRVQHS-PDBXOOCHSA-N,C18H30O2,278.4,278.2245802,5.9,37.3,301,0,1,2,13,20,"greater than 235 °F (NTP, 1992)","446 °F at 17 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
TRIISOBUTYL PHOSPHATE,000126-71-6,31355,tris(2-methylpropyl) phosphate,CC(C)COP(=O)(OCC(C)C)OCC(C)C,"InChI=1S/C12H27O4P/c1-10(2)7-14-17(13,15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3",HRKAMJBPFPHCSD-UHFFFAOYSA-N,C12H27O4P,266.31,266.1646963,3.5,44.8,201,0,0,4,9,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
DL-2-AMINOCAPRYLIC ACID,000644-90-6,69522,2-aminooctanoic acid,CCCCCCC(C(=O)O)N,"InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)",AKVBCGQVQXPRLD-UHFFFAOYSA-N,C8H17NO2,159.23,159.1259288,-0.5,63.3,115,0,2,3,6,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
L-NORLEUCINE,000327-57-1,21236,(2S)-2-aminohexanoic acid,CCCC[C@@H](C(=O)O)N,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1",LRQKBLKVPFOOQJ-YFKPBYRVSA-N,C6H13NO2,131.17,131.0946287,-1.5,63.3,93,0,2,3,4,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
L-A-AMINO-N-BUTYRIC ACID,001492-24-6,80283,(2S)-2-aminobutanoic acid,CC[C@@H](C(=O)O)N,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",QWCKQJZIFLGMSD-VKHMYHEASA-N,C4H9NO2,103.12,103.0633285,-2.5,63.3,72,0,2,3,2,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
N-A-ACETYL-L-ARGININE,000155-84-0,67427,(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoic acid,CC(=O)N[C@@H](CCCN=C(N)N)C(=O)O,"InChI=1S/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)/t6-/m0/s1",SNEIUMQYRCDYCH-LURJTMIESA-N,C8H16N4O3,216.24,216.1222404,-1.7,131,261,0,4,4,6,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
3-OXO-PENTANEDIOIC ACID DIMETHYL ESTER,001830-54-2,74591,dimethyl 3-oxopentanedioate,COC(=O)CC(=O)CC(=O)OC,"InChI=1S/C7H10O5/c1-11-6(9)3-5(8)4-7(10)12-2/h3-4H2,1-2H3",RNJOKCPFLQMDEC-UHFFFAOYSA-N,C7H10O5,174.15,174.0528234,0,69.7,176,0,0,5,6,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-((3-HYDROXY-2,2-BIS(((1-OXO-2-PROPENYL)OXY)METHYL0PROPOXY)METHYL)-2-(((1-OXO-2-PROPENYL)OXY)METHYL)-1,3-PROPANEDIYL ESTER 2-PROPENOIC ACID",060506-81-2,108956,"[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]propyl] prop-2-enoate",C=CC(=O)OCC(CO)(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)COC(=O)C=C,"InChI=1S/C25H32O12/c1-6-19(27)33-14-24(11-26,15-34-20(28)7-2)12-32-13-25(16-35-21(29)8-3,17-36-22(30)9-4)18-37-23(31)10-5/h6-10,26H,1-5,11-18H2",INXWLSDYDXPENO-UHFFFAOYSA-N,C25H32O12,524.5,524.1893765,2,161,789,0,1,12,25,37,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
ETHYLENEDIAMINETETRAACETIC ACID DISODIUM NICKEL SALT,011079-07-5,149739,disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;nickel(2+),C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Ni+2],"InChI=1S/C10H16N2O8.2Na.Ni/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;2*+1;+2/p-4",AOBXSTDXJGPLRC-UHFFFAOYSA-J,C10H12N2Na2NiO8,392.88,391.974246,,167,293,0,0,10,7,23,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"POLY(DIMETHYLSILOXANE), MONOMETHACRYLOXYPROPYL TERMINATED",146632-07-7,121233057,3-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)OC,"InChI=1S/C12H26O4Si2/c1-11(2)12(13)15-9-8-10-17(4,5)16-18(6,7)14-3/h1,8-10H2,2-7H3",XKRNOHIEWSINLH-UHFFFAOYSA-N,C12H26O4Si2,290.5,290.1369624,,44.8,300,0,0,4,9,18,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
2-(METHACRYLOYLOXYETHYL)-2'-((TRIMETHYLAMMONIUM)ETHYL)PHOSPHATE,067881-98-5,128934,2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylazaniumyl)ethyl phosphate,CC(=C)C(=O)OCCOP(=O)([O-])OCC[N+](C)(C)C,"InChI=1S/C11H22NO6P/c1-10(2)11(13)16-8-9-18-19(14,15)17-7-6-12(3,4)5/h1,6-9H2,2-5H3",ZSZRUEAFVQITHH-UHFFFAOYSA-N,C11H22NO6P,295.27,295.1184744,-0.2,84.9,354,0,0,6,10,19,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"(2,2'-AZOBIS(2-METHYL-N-(2-HYDROXYETHYL)PROPIONAMIDE))",061551-69-7,381605,N-(2-hydroxyethyl)-2-[[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide,CC(C)(C(=O)NCCO)N=NC(C)(C)C(=O)NCCO,"InChI=1S/C12H24N4O4/c1-11(2,9(19)13-5-7-17)15-16-12(3,4)10(20)14-6-8-18/h17-18H,5-8H2,1-4H3,(H,13,19)(H,14,20)",WVFLGSMUPMVNTQ-UHFFFAOYSA-N,C12H24N4O4,288.34,288.1797553,-0.9,123,332,0,4,6,8,20,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
DIVINYL ADIPATE (STABILIZED WITH MEHQ),004074-90-2,19997,bis(ethenyl) hexanedioate,C=COC(=O)CCCCC(=O)OC=C,"InChI=1S/C10H14O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-4H,1-2,5-8H2",JZQAAQZDDMEFGZ-UHFFFAOYSA-N,C10H14O4,198.22,198.0892089,1.6,52.6,196,0,0,4,9,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"SILICIC ACID (H4SIO4), TETRAKIS(2-ETHYLBUTYL) ESTER",000078-13-7,6520,tetrakis(2-ethylbutyl) silicate,CCC(CC)CO[Si](OCC(CC)CC)(OCC(CC)CC)OCC(CC)CC,"InChI=1S/C24H52O4Si/c1-9-21(10-2)17-25-29(26-18-22(11-3)12-4,27-19-23(13-5)14-6)28-20-24(15-7)16-8/h21-24H,9-20H2,1-8H3",SWQWONXMUXCEDF-UHFFFAOYSA-N,C24H52O4Si,432.8,432.3634867,,36.9,281,0,0,4,20,29,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"HEXANOIC ACID, 2-ETHYL-, ETHENYL ESTER",000094-04-2,62343,ethenyl 2-ethylhexanoate,CCCCC(CC)C(=O)OC=C,"InChI=1S/C10H18O2/c1-4-7-8-9(5-2)10(11)12-6-3/h6,9H,3-5,7-8H2,1-2H3",IGBZOHMCHDADGY-UHFFFAOYSA-N,C10H18O2,170.25,170.1306798,3.5,26.3,141,0,0,2,7,12,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,1,0,0
"2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, FORMATE, (E)-",000105-86-2,5282109,"[(2E)-3,7-dimethylocta-2,6-dienyl] formate",CC(=CCC/C(=C/COC=O)/C)C,"InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7+",FQMZVFJYMPNUCT-YRNVUSSQSA-N,C11H18O2,182.26,182.1306798,3.5,26.3,198,0,0,2,6,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"3,7-DIMETHYL-7-HYDROXY-1-OCTANAL,",000107-75-5,7888,"7-hydroxy-3,7-dimethyloctanal",CC(CCCC(C)(C)O)CC=O,"InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3",WPFVBOQKRVRMJB-UHFFFAOYSA-N,C10H20O2,172.26,172.1463299,1.6,37.3,130,0,1,2,6,12,,241.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"7-OCTEN-1-OL, 3,7-DIMETHYL-, FORMATE",000141-09-3,61092,"3,7-dimethyloct-7-enyl formate",CC(CCCC(=C)C)CCOC=O,"InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h9,11H,1,4-8H2,2-3H3",VMBKZHMLQXCNCP-UHFFFAOYSA-N,C11H20O2,184.27,184.1463299,4.1,26.3,152,0,0,2,8,13,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"9-UNDECENAL, 2,6,10-TRIMETHYL-",000141-13-9,98403,"2,6,10-trimethylundec-9-enal",CC(CCCC(C)C=O)CCC=C(C)C,"InChI=1S/C14H26O/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h7,11,13-14H,5-6,8-10H2,1-4H3",UEGBWDUVDAKUGA-UHFFFAOYSA-N,C14H26O,210.36,210.1983654,5,17.1,190,0,0,1,8,15,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"L-LEUCINE, METHYL ESTER",002666-93-5,65105,methyl (2S)-2-amino-4-methylpentanoate,CC(C)C[C@@H](C(=O)OC)N,"InChI=1S/C7H15NO2/c1-5(2)4-6(8)7(9)10-3/h5-6H,4,8H2,1-3H3/t6-/m0/s1",QVDXUKJJGUSGLS-LURJTMIESA-N,C7H15NO2,145.2,145.1102787,0.9,52.3,112,0,1,3,4,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,4-NONADIENAL, (E,E)-",005910-87-2,5283339,"(2E,4E)-nona-2,4-dienal",CCCC/C=C/C=C/C=O,"InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3/b6-5+,8-7+",ZHHYXNZJDGDGPJ-BSWSSELBSA-N,C9H14O,138.21,138.1044651,2.7,17.1,123,0,0,1,5,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,4-NONADIENAL",006750-03-4,23203,"nona-2,4-dienal",CCCCC=CC=CC=O,"InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3",ZHHYXNZJDGDGPJ-UHFFFAOYSA-N,C9H14O,138.21,138.1044651,2.7,17.1,123,0,0,1,5,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BUTANOIC ACID, 2,4-DIAMINO-, DIHYDROCHLORIDE",006970-28-1,470,"2,4-diaminobutanoic acid",C(CN)C(C(=O)O)N,"InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)",OGNSCSPNOLGXSM-UHFFFAOYSA-N,C4H10N2O2,118.13,118.0742276,-4.6,89.3,84,0,3,4,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"1-PROPENE, 3-(METHYLTHIO)-",010152-76-8,66282,3-methylsulfanylprop-1-ene,CSCC=C,"InChI=1S/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3",NVLPQIPTCCLBEU-UHFFFAOYSA-N,C4H8S,88.17,88.03467143,1.5,25.3,24,0,0,1,2,5,,92.00 to 93.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-OCTYNOIC ACID, ETHYL ESTER",010519-20-7,66338,ethyl oct-2-ynoate,CCCCCC#CC(=O)OCC,"InChI=1S/C10H16O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-7H2,1-2H3",QPMDWYXUSMRVKT-UHFFFAOYSA-N,C10H16O2,168.23,168.1150297,3.5,26.3,183,0,0,2,5,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"ETHANAMINIUM, N-ETHYL-N,N-DIMETHYL-2-[(2-METHYL-1-OXO-2-PROPENYL)OXY]-, ETHYL",013223-03-5,83244,ethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;ethyl sulfate,CC[N+](C)(C)CCOC(=O)C(=C)C.CCOS(=O)(=O)[O-],"InChI=1S/C10H20NO2.C2H6O4S/c1-6-11(4,5)7-8-13-10(12)9(2)3;1-2-6-7(3,4)5/h2,6-8H2,1,3-5H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",QUUVXPUXYIWGHA-UHFFFAOYSA-M,C12H25NO6S,311.4,311.1402587,,101,301,0,0,6,7,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-NONYNE, 1,1-DIMETHOXY-",013257-44-8,25812,"1,1-dimethoxynon-2-yne",CCCCCCC#CC(OC)OC,"InChI=1S/C11H20O2/c1-4-5-6-7-8-9-10-11(12-2)13-3/h11H,4-8H2,1-3H3",RPJGIPAAHSGBEZ-UHFFFAOYSA-N,C11H20O2,184.27,184.1463299,3.3,18.5,159,0,0,2,6,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,3-HEXANEDIONE, 5-METHYL-",013706-86-0,26204,"5-methylhexane-2,3-dione",CC(C)CC(=O)C(=O)C,"InChI=1S/C7H12O2/c1-5(2)4-7(9)6(3)8/h5H,4H2,1-3H3",PQCLJXVUAWLNSV-UHFFFAOYSA-N,C7H12O2,128.17,128.0837296,0.9,34.1,125,0,0,2,3,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"9-OCTADECENOIC ACID (Z)-, COBALT SALT",014666-94-5,6440850,cobalt(2+);(Z)-octadec-9-enoic acid,CCCCCCCC/C=C\CCCCCCCC(=O)O.[Co+2],"InChI=1S/C18H34O2.Co/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+2/b10-9-;",IWNMVERPBFAOPL-KVVVOXFISA-N,C18H34CoO2+2,341.4,341.189074,,37.3,234,2,1,2,15,21,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,2-ETHANEDIAMINE, PHOSPHATE",014852-17-6,161093,"ethane-1,2-diamine;phosphoric acid",C(CN)N.OP(=O)(O)O,"InChI=1S/C2H8N2.H3O4P/c3-1-2-4;1-5(2,3)4/h1-4H2;(H3,1,2,3,4)",ZSFDBVJMDCMTBM-UHFFFAOYSA-N,C2H11N2O4P,158.09,158.0456438,,130,55,0,5,6,1,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"ETHANESULFONYL FLUORIDE, 2-[1-[DIFLUORO[(TRIFLUOROETHENYL)OXY]METHYL]-1,2,2,2-",016090-14-5,85958,"1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethanesulfonyl fluoride",C(=C(F)F)(OC(C(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)F)(F)F)F)(F)F)F,"InChI=1S/C7F14O4S/c8-1(9)2(10)24-5(15,16)3(11,4(12,13)14)25-6(17,18)7(19,20)26(21,22)23",KTCQQCLZUOZFEI-UHFFFAOYSA-N,C7F14O4S,446.12,445.9293739,4.7,61,656,0,0,18,7,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1
"PHOSPHONIC ACID, [3-[(HYDROXYMETHYL)AMINO]-3-OXOPROPYL]-, DIMETHYL ESTER",020120-33-6,29959,3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamide,COP(=O)(CCC(=O)NCO)OC,"InChI=1S/C6H14NO5P/c1-11-13(10,12-2)4-3-6(9)7-5-8/h8H,3-5H2,1-2H3,(H,7,9)",MCONGYNHPPCHSD-UHFFFAOYSA-N,C6H14NO5P,211.15,211.0609595,-1.9,84.9,199,0,2,5,6,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"5-OCTEN-1-OL, 6-ETHYL-3-METHYL-",026330-64-3,117305,6-ethyl-3-methyloct-5-en-1-ol,CCC(=CCC(C)CCO)CC,"InChI=1S/C11H22O/c1-4-11(5-2)7-6-10(3)8-9-12/h7,10,12H,4-6,8-9H2,1-3H3",XSFCJNDQFKISFC-UHFFFAOYSA-N,C11H22O,170.29,170.1670653,3.5,20.2,121,0,1,1,6,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"6-OCTEN-1-OL, 6-ETHYL-3-METHYL-",026330-65-4,117306,6-ethyl-3-methyloct-6-en-1-ol,CCC(=CC)CCC(C)CCO,"InChI=1S/C11H22O/c1-4-11(5-2)7-6-10(3)8-9-12/h4,10,12H,5-9H2,1-3H3",GTLKSTALFRGBQG-UHFFFAOYSA-N,C11H22O,170.29,170.1670653,3.6,20.2,127,0,1,1,6,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"FORMIC ACID, CHROMIUM(3+) SALT",027115-36-2,117932,chromium(3+) triformate,C(=O)[O-].C(=O)[O-].C(=O)[O-].[Cr+3],"InChI=1S/3CH2O2.Cr/c3*2-1-3;/h3*1H,(H,2,3);/q;;;+3/p-3",QOWZHEWZFLTYQP-UHFFFAOYSA-K,C3H3CrO6,187.05,186.933468,,120,7,0,0,6,0,10,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"2-PROPENOIC ACID, 3-[2,2-DIMETHYL-1-OXO-3-[(1-OXO-2-PROPENYL)OXY]PROPOXY]-2,2-",030145-51-8,121642,"(2,2-dimethyl-3-prop-2-enoyloxypropyl) 2,2-dimethyl-3-prop-2-enoyloxypropanoate",CC(C)(COC(=O)C=C)COC(=O)C(C)(C)COC(=O)C=C,"InChI=1S/C16H24O6/c1-7-12(17)20-9-15(3,4)10-22-14(19)16(5,6)11-21-13(18)8-2/h7-8H,1-2,9-11H2,3-6H3",ICCCRCJXHNMZPJ-UHFFFAOYSA-N,C16H24O6,312.36,312.1572885,3.1,78.9,448,0,0,6,12,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"6-METHOXY-2,6-DIMETHYL-HEPTANAL",062439-41-2,112491,"6-methoxy-2,6-dimethylheptanal",CC(CCCC(C)(C)OC)C=O,"InChI=1S/C10H20O2/c1-9(8-11)6-5-7-10(2,3)12-4/h8-9H,5-7H2,1-4H3",QMXBURPYNWBMJR-UHFFFAOYSA-N,C10H20O2,172.26,172.1463299,1.8,26.3,130,0,0,2,6,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"ZINC, HYDROXY(2-METHYL-2-PROPENOATO-O)-",063451-47-8,113239,2-methylprop-2-enoic acid;zinc;hydrate,CC(=C)C(=O)O.O.[Zn],"InChI=1S/C4H6O2.H2O.Zn/c1-3(2)4(5)6;;/h1H2,2H3,(H,5,6);1H2;",CJSCLERRDWRJGA-UHFFFAOYSA-N,C4H8O3Zn,169.5,167.976486,,38.3,89,0,2,3,1,8,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
".BETA.-ALANINE, N-(2-HYDROXYETHYL)-N-[2-[(1-OXOOCTYL)AMINO]ETHYL]-",064265-45-8,116569,3-[2-hydroxyethyl-[2-(octanoylamino)ethyl]amino]propanoic acid,CCCCCCCC(=O)NCCN(CCC(=O)O)CCO,"InChI=1S/C15H30N2O4/c1-2-3-4-5-6-7-14(19)16-9-11-17(12-13-18)10-8-15(20)21/h18H,2-13H2,1H3,(H,16,19)(H,20,21)",OKFFNIVTSMRGQI-UHFFFAOYSA-N,C15H30N2O4,302.41,302.2205574,-0.9,89.9,285,0,3,5,14,21,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"2-PROPANOL, 1-(TERT-DODECYLTHIO)-",067124-09-8,106704,"1-(9,9-dimethyldecylsulfanyl)propan-2-ol",CC(CSCCCCCCCCC(C)(C)C)O,"InChI=1S/C15H32OS/c1-14(16)13-17-12-10-8-6-5-7-9-11-15(2,3)4/h14,16H,5-13H2,1-4H3",XROXSXGRRMHJFJ-UHFFFAOYSA-N,C15H32OS,260.5,260.2173868,5.8,45.5,163,0,1,2,11,17,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-PROPENOIC ACID, 2-[METHYL[(NONAFLUOROBUTYL)SULFONYL]AMINO]ETHYL ESTER",067584-55-8,105447,"2-[methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethyl prop-2-enoate",CN(CCOC(=O)C=C)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C10H10F9NO4S/c1-3-6(21)24-5-4-20(2)25(22,23)10(18,19)8(13,14)7(11,12)9(15,16)17/h3H,1,4-5H2,2H3",KEMCLRGAIUJRAN-UHFFFAOYSA-N,C10H10F9NO4S,411.24,411.0186824,3.2,72.1,609,0,0,14,9,25,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-PROPENOIC ACID, 2-METHYL-, 2-[METHYL[(NONAFLUOROBUTYL)SULFONYL]AMINO]ETHYL E",067584-59-2,105452,"2-[methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethyl 2-methylprop-2-enoate",CC(=C)C(=O)OCCN(C)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C11H12F9NO4S/c1-6(2)7(22)25-5-4-21(3)26(23,24)11(19,20)9(14,15)8(12,13)10(16,17)18/h1,4-5H2,2-3H3",BEIWUHUHJDEMQO-UHFFFAOYSA-N,C11H12F9NO4S,425.27,425.0343325,3.6,72.1,652,0,0,14,9,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1-PROPENE, 3-[2-(2-METHOXYPROPOXY)PROPOXY]-",068039-31-6,107063,2-(2-methoxypropoxy)-1-prop-2-enoxypropane,CC(COCC=C)OCC(C)OC,"InChI=1S/C10H20O3/c1-5-6-12-7-10(3)13-8-9(2)11-4/h5,9-10H,1,6-8H2,2-4H3",ZSHQZORCSTVWLF-UHFFFAOYSA-N,C10H20O3,188.26,188.1412445,1.3,27.7,125,0,0,3,8,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-UNDECEN-2-ONE, 10-HYDROXY-3,6,10-TRIMETHYL-",068141-19-5,109185,"10-hydroxy-3,6,10-trimethylundec-3-en-2-one",CC(CCCC(C)(C)O)CC=C(C)C(=O)C,"InChI=1S/C14H26O2/c1-11(7-6-10-14(4,5)16)8-9-12(2)13(3)15/h9,11,16H,6-8,10H2,1-5H3",ZYZZYMDGACMDKZ-UHFFFAOYSA-N,C14H26O2,226.35,226.1932801,3,37.3,251,0,1,2,7,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"BUTANEDIOIC ACID, [(DIPROPOXYPHOSPHINOTHIOYL)THIO]-, DIBUTYL ESTER",068413-47-8,109346,dibutyl 2-dipropoxyphosphinothioylsulfanylbutanedioate,CCCCOC(=O)CC(C(=O)OCCCC)SP(=S)(OCCC)OCCC,"InChI=1S/C18H35O6PS2/c1-5-9-13-21-17(19)15-16(18(20)22-14-10-6-2)27-25(26,23-11-7-3)24-12-8-4/h16H,5-15H2,1-4H3",HSVNXSQHXKNAOX-UHFFFAOYSA-N,C18H35O6PS2,442.6,442.1612682,5.9,128,449,0,0,8,19,27,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BUTANEDIOIC ACID, [[BIS[(2-ETHYLHEXYL)OXY]PHOSPHINOTHIOYL]THIO]-, DIBUTYL ESTE",068413-48-9,109347,dibutyl 2-[bis(2-ethylhexoxy)phosphinothioylsulfanyl]butanedioate,CCCCC(CC)COP(=S)(OCC(CC)CCCC)SC(CC(=O)OCCCC)C(=O)OCCCC,"InChI=1S/C28H55O6PS2/c1-7-13-17-24(11-5)22-33-35(36,34-23-25(12-6)18-14-8-2)37-26(28(30)32-20-16-10-4)21-27(29)31-19-15-9-3/h24-26H,7-23H2,1-6H3",DHEMFBSSQAFTOU-UHFFFAOYSA-N,C28H55O6PS2,582.8,582.3177688,10.2,128,610,0,0,8,27,37,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"5-OCTEN-4-ONE, 2,7-DIMETHYL-",068419-46-5,1738173,"(E)-2,7-dimethyloct-5-en-4-one",CC(C)CC(=O)/C=C/C(C)C,"InChI=1S/C10H18O/c1-8(2)5-6-10(11)7-9(3)4/h5-6,8-9H,7H2,1-4H3/b6-5+",CZOUKEVZSCNCAE-AATRIKPKSA-N,C10H18O,154.25,154.1357652,2.8,17.1,143,0,0,1,4,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-OCTYNOIC ACID, 3-METHYLBUTYL ESTER",068555-60-2,110542,3-methylbutyl oct-2-ynoate,CCCCCC#CC(=O)OCCC(C)C,"InChI=1S/C13H22O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-7,10-11H2,1-3H3",OTJSOSMJTUKXJR-UHFFFAOYSA-N,C13H22O2,210.31,210.1619799,4.9,26.3,229,0,0,2,7,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"MOLYBDATE (MO7O246-), COBALT(3+) (2:1)",068647-47-2,173030,cobalt(3+);bis(dioxido(dioxo)molybdenum),[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-].[Co+3],InChI=1S/Co.2Mo.8O/q+3;;;;;;;4*-1,MYWRFEYRJSBDKP-UHFFFAOYSA-N,CoMo2O8-,378.8,380.702589,,161,62,-1,0,8,0,11,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,1,1
"PROPANENITRILE, 3-[1-[DIFLUORO[(TRIFLUOROETHENYL)OXY]METHYL]-1,2,2,2-TETRAFLUO",069804-19-9,112160,"2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropanenitrile",C(#N)C(C(OC(C(OC(=C(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F,"InChI=1S/C8F13NO2/c9-2(10)3(11)23-8(20,21)5(14,6(15,16)17)24-7(18,19)4(12,13)1-22",LYIPDZSLYLDLCU-UHFFFAOYSA-N,C8F13NO2,389.07,388.9721443,4.5,42.3,554,0,0,16,6,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"PHOSPHONIC ACID, DIISOTRIDECYL ESTER",070955-74-7,6335864,bis(11-methyldodecoxy)-oxophosphanium,CC(C)CCCCCCCCCCO[P+](=O)OCCCCCCCCCCC(C)C,"InChI=1S/C26H54O3P/c1-25(2)21-17-13-9-5-7-11-15-19-23-28-30(27)29-24-20-16-12-8-6-10-14-18-22-26(3)4/h25-26H,5-24H2,1-4H3/q+1",XBDBIQSNODOCIR-UHFFFAOYSA-N,C26H54O3P+,445.7,445.3810576,11.6,35.5,326,1,0,3,24,30,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-HEPTEN-2-ONE, 5-ETHYL-",071648-42-5,98145,5-ethylhept-3-en-2-one,CCC(CC)C=CC(=O)C,"InChI=1S/C9H16O/c1-4-9(5-2)7-6-8(3)10/h6-7,9H,4-5H2,1-3H3",MTNXTOAQNAWJRM-UHFFFAOYSA-N,C9H16O,140.22,140.1201151,2.6,17.1,121,0,0,1,4,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"HEXANE, 1,1-DIMETHOXY-3,5,5-TRIMETHYL-",072894-13-4,166344,"1,1-dimethoxy-3,5,5-trimethylhexane",CC(CC(OC)OC)CC(C)(C)C,"InChI=1S/C11H24O2/c1-9(8-11(2,3)4)7-10(12-5)13-6/h9-10H,7-8H2,1-6H3",OKMANJUJOSTZGX-UHFFFAOYSA-N,C11H24O2,188.31,188.17763,3.5,18.5,123,0,0,2,6,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
CHROMIUM (+3),016065-83-1,27668,chromium(3+),[Cr+3],InChI=1S/Cr/q+3,BFGKITSFLPAWGI-UHFFFAOYSA-N,Cr+3,51.996,51.940505,,0,0,3,0,0,0,1,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
CHLORIDE,016887-00-6,312,chloride,[Cl-],InChI=1S/ClH/h1H/p-1,VEXZGXHMUGYJMC-UHFFFAOYSA-M,Cl-,35.45,34.9688527,0.8,0,0,-1,0,1,0,1,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
TRIS(2-HYDROXYETHYL)AMMONIUM HYDROGEN MALEATE,041397-50-6,6451725,2-[bis(2-hydroxyethyl)amino]ethanol;(Z)-but-2-enedioic acid,C(CO)N(CCO)CCO.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C6H15NO3.C4H4O4/c8-4-1-7(2-5-9)3-6-10;5-3(6)1-2-4(7)8/h8-10H,1-6H2;1-2H,(H,5,6)(H,7,8)/b;2-1-",AFNWOEJOULWFIS-BTJKTKAUSA-N,C10H19NO7,265.26,265.116152,,139,175,0,5,8,8,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
ZIRCONIUM(IV) HYDROGENPHOSPHATE,013772-29-7,166903,zirconium(4+) diphosphate,[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Zr+4],"InChI=1S/2H3O4P.Zr/c2*1-5(2,3)4;/h2*(H3,1,2,3,4);/q;;+4/p-6",QOKYJGZIKILTCY-UHFFFAOYSA-H,O8P2Zr-2,281.16,279.81154,,173,36,-2,0,8,0,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
TRIMETHOXYVINYLSILANE,002768-02-7,76004,ethenyl(trimethoxy)silane,CO[Si](C=C)(OC)OC,"InChI=1S/C5H12O3Si/c1-5-9(6-2,7-3)8-4/h5H,1H2,2-4H3",NKSJNEHGWDZZQF-UHFFFAOYSA-N,C5H12O3Si,148.23,148.0555708,,27.7,81,0,0,3,4,9,25.5°C,123°C at 1013 hPa (converted to 101.3 kPa) (760 mm Hg),0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
ETHYL MALEATE,000141-05-9,5271566,diethyl (Z)-but-2-enedioate,CCOC(=O)/C=C\C(=O)OCC,"InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5-",IEPRKVQEAMIZSS-WAYWQWQTSA-N,C8H12O4,172.18,172.0735589,0.9,52.6,163,0,0,4,6,12,,218.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
METHYL CAPRYLATE,000111-11-5,8091,methyl octanoate,CCCCCCCC(=O)OC,"InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3",JGHZJRVDZXSNKQ-UHFFFAOYSA-N,C9H18O2,158.24,158.1306798,3.6,26.3,99,0,0,2,7,11,,192.9 °C @ 760 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"HEXANEPEROXOIC ACID, 2-ETHYL-, 1,1-DIMETHYLETHYL ESTER",003006-82-4,102924,tert-butyl 2-ethylhexaneperoxoate,CCCCC(CC)C(=O)OOC(C)(C)C,"InChI=1S/C12H24O3/c1-6-8-9-10(7-2)11(13)14-15-12(3,4)5/h10H,6-9H2,1-5H3",WYKYCHHWIJXDAO-UHFFFAOYSA-N,C12H24O3,216.32,216.1725446,4,35.5,182,0,0,3,8,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0
MANEB,012427-38-2,3032581,manganese(2+);N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate,C(CNC(=S)[S-])NC(=S)[S-].[Mn+2],"InChI=1S/C4H8N2S4.Mn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2",YKSNLCVSTHTHJA-UHFFFAOYSA-L,C4H6MnN2S4,265.3,264.879426,,90.2,108,0,2,4,3,11,,,1,0,1,0,0,0,1,1,0,0,0,0,0,1,0,0,0,1,0,0
COBALT(II) NITRATE,010141-05-6,25000,cobalt(2+) dinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Co+2],InChI=1S/Co.2NO3/c;2*2-1(3)4/q+2;2*-1,UFMZWBIQTDUYBN-UHFFFAOYSA-N,CoN2O6,182.94,182.908829,,126,18,0,0,6,0,9,,,1,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,0,1,0,0
"GLYOXYLIC ACID, 50 WT. % SOLUTION IN WATER",,760,oxaldehydic acid,C(=O)C(=O)O,"InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)",HHLFWLYXYJOTON-UHFFFAOYSA-N,C2H2O3,74.04,74.00039392,-0.3,54.4,55,0,1,3,1,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
SODIUM DICHROMATE DIHYDRATE,007789-12-0,108005,disodium;oxido-(oxido(dioxo)chromio)oxy-dioxochromium;dihydrate,O.O.[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].[Na+].[Na+],InChI=1S/2Cr.2Na.2H2O.7O/h;;;;2*1H2;;;;;;;/q;;2*+1;;;;;;;;2*-1,JYDRNIYTFCBIFC-UHFFFAOYSA-N,Cr2H4Na2O9,298,297.84608,,126,194,0,2,9,0,13,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
NICKEL 2-ETHYLHEXANOATE,004454-16-4,107553,bis(2-ethylhexanoate);nickel(2+),CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ni+2],"InChI=1S/2C8H16O2.Ni/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",UVPKUTPZWFHAHY-UHFFFAOYSA-L,C16H30NiO4,345.1,344.149751,,80.3,93,0,0,4,8,21,,,1,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,0,1,1,0
COBALT(II) ACETATE,000071-48-7,6277,cobalt(2+) diacetate,CC(=O)[O-].CC(=O)[O-].[Co+2],"InChI=1S/2C2H4O2.Co/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",QAHREYKOYSIQPH-UHFFFAOYSA-L,C4H6CoO4,177.02,176.959802,,80.3,25,0,0,4,0,9,,,1,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,0,1,0,0
"OCTADECANOIC ACID, NICKEL(2+) SALT",002223-95-2,160624,nickel(2+);bis(octadecanoate),CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ni+2],"InChI=1S/2C18H36O2.Ni/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",JMWUYEFBFUCSAK-UHFFFAOYSA-L,C36H70NiO4,625.6,624.462752,,80.3,196,0,0,4,30,41,,,1,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,0,1,1,0
"HEXANOIC ACID, 2-ETHYL-, NICKEL SALT",007580-31-6,24231,2-ethylhexanoic acid;nickel,CCCCC(CC)C(=O)O.[Ni],"InChI=1S/C8H16O2.Ni/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);",XRBQEYWBWZFUIJ-UHFFFAOYSA-N,C8H16NiO2,202.9,202.050371,,37.3,99,0,1,2,5,11,,,1,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,0,1,1,0
TETRAFLUOROBORATE(1-) NICKEL(2+) (2:1),014708-14-6,61765,nickel(2+) ditetrafluoroborate,[B-](F)(F)(F)F.[B-](F)(F)(F)F.[Ni+2],"InChI=1S/2BF4.Ni/c2*2-1(3,4)5;/q2*-1;+2",UTWSZAKRMXIKQI-UHFFFAOYSA-N,B2F8Ni,232.31,231.941177,,0,19,0,0,10,0,11,,,1,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,0,1,1,0
"OCTANOIC ACID, COBALT SALT",006700-85-2,62617,cobalt;octanoate,CCCCCCCC(=O)[O-].[Co],"InChI=1S/C8H16O2.Co/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/p-1",IJRCPFFFTCYQMF-UHFFFAOYSA-M,C8H15CoO2-,202.14,202.040398,,40.1,83,-1,0,2,5,11,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
NICKEL PHOSPHIDE,012035-64-2,166013,tris(nickel(2+));bis(phosphorus(3-)),[P-3].[P-3].[Ni+2].[Ni+2].[Ni+2],InChI=1S/3Ni.2P/q3*+2;2*-3,JCZGSHVDNCPPKK-UHFFFAOYSA-N,Ni3P2,238.028,237.748992,,0,0,0,0,2,0,5,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,1,0
COBALT METAL,007440-48-4,104730,cobalt,[Co],InChI=1S/Co,GUTLYIVDDKVIGB-UHFFFAOYSA-N,Co,58.93319,58.933194,,0,0,0,0,0,0,1,,"5198 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,0,1,0,0
CHROMIC ACID (CRVI),013530-68-2,26090,hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium,O[Cr](=O)(=O)O[Cr](=O)(=O)O,InChI=1S/2Cr.2H2O.5O/h;;2*1H2;;;;;/q2*+1;;;;;;;/p-2,CMMUKUYEPRGBFB-UHFFFAOYSA-L,Cr2H2O7,218,217.861062,,118,221,0,2,7,2,9,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,4-BUTANEDIOL DIMETHACRYLATE",002082-81-7,16387,4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCCCOC(=O)C(=C)C,"InChI=1S/C12H18O4/c1-9(2)11(13)15-7-5-6-8-16-12(14)10(3)4/h1,3,5-8H2,2,4H3",XOJWAAUYNWGQAU-UHFFFAOYSA-N,C12H18O4,226.27,226.1205091,3.2,52.6,261,0,0,4,9,16,,110 °C @ 3 MM HG,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (S)-",000126-90-9,67179,"(3S)-3,7-dimethylocta-1,6-dien-3-ol",CC(=CCC[C@@](C)(C=C)O)C,"InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m1/s1",CDOSHBSSFJOMGT-SNVBAGLBSA-N,C10H18O,154.25,154.1357652,2.7,20.2,154,0,1,1,4,11,,187.00 to 199.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
ADIPIC ACID DIHYDRAZIDE,001071-93-8,66117,hexanedihydrazide,C(CCC(=O)NN)CC(=O)NN,"InChI=1S/C6H14N4O2/c7-9-5(11)3-1-2-4-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12)",IBVAQQYNSHJXBV-UHFFFAOYSA-N,C6H14N4O2,174.2,174.1116757,-2.1,110,142,0,4,4,5,12,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
LITHIUM COBALTITE,012190-79-3,23670860,lithium oxido(oxo)cobalt,[Li+].[O-][Co]=O,InChI=1S/Co.Li.2O/q;+1;;-1,BFZPBUKRYWOWDV-UHFFFAOYSA-N,CoLiO2,97.9,97.939026,,40.1,13,0,0,2,0,4,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,1,0,0
COBALT MOLYBDATE,013762-14-6,61675,cobalt(2+);dioxido(dioxo)molybdenum,[O-][Mo](=O)(=O)[O-].[Co+2],InChI=1S/Co.Mo.4O/q+2;;;;2*-1,KYYSIVCCYWZZLR-UHFFFAOYSA-N,CoMoO4,218.88,220.818256,,80.3,62,0,0,4,0,6,,,0,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,0,1,0,0
NICKEL MONOSULFIDE,016812-54-7,28094,sulfanylidenenickel,S=[Ni],InChI=1S/Ni.S,WWNBZGLDODTKEM-UHFFFAOYSA-N,NiS,90.76,89.907413,,32.1,2,0,0,1,0,2,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,1,0
C.I. PIGMENT YELLOW 34,001344-37-2,138394846,dioxido(dioxo)chromium;bis(lead(2+));sulfate,[O-]S(=O)(=O)[O-].[O-][Cr](=O)(=O)[O-].[Pb+2].[Pb+2],"InChI=1S/Cr.H2O4S.4O.2Pb/c;1-5(2,3)4;;;;;;/h;(H2,1,2,3,4);;;;;;/q;;;;2*-1;2*+2/p-2",APAIXFDPIJWPBF-UHFFFAOYSA-L,CrO8Pb2S,630,627.8252,,169,124,0,0,8,0,12,,,0,0,0,0,0,1,0,0,0,0,1,0,0,1,1,0,0,1,1,1
COBALTOUS ACETATE TETRAHYDRATE,006147-53-1,61372,cobalt(2+);diacetate;tetrahydrate,CC(=O)[O-].CC(=O)[O-].O.O.O.O.[Co+2],"InChI=1S/2C2H4O2.Co.4H2O/c2*1-2(3)4;;;;;/h2*1H3,(H,3,4);;4*1H2/q;;+2;;;;/p-2",ZBYYWKJVSFHYJL-UHFFFAOYSA-L,C4H14CoO8,249.08,249.002061,,84.3,25,0,4,8,0,13,,,1,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,0,1,0,0
MANCOZEB,008018-01-7,3034368,zinc;manganese(2+);bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate),C(CNC(=S)[S-])NC(=S)[S-].C(CNC(=S)[S-])NC(=S)[S-].[Mn+2].[Zn+2],"InChI=1S/2C4H8N2S4.Mn.Zn/c2*7-3(8)5-1-2-6-4(9)10;;/h2*1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;;2*+2/p-4",CHNQZRKUZPNOOH-UHFFFAOYSA-J,C8H12MnN4S8Zn,541.1,538.749951,,180,108,0,4,8,6,22,138 °C (280 °F),,1,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,1,1,0
CHROMIUM METAL (SOLID),007440-47-3,23976,chromium,[Cr],InChI=1S/Cr,VYZAMTAEIAYCRO-UHFFFAOYSA-N,Cr,51.996,51.940505,,0,0,0,0,0,0,1,,"4788 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
"11,14-DIOXA-2,9-DIAZAHEPTADEC-16-ENOIC ACID, 4,4,6,16-TETRAMETHYL-10,15-DIOXO-",041137-60-4,170472,"2-[[3,5,5-trimethyl-6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate",CC(CCNC(=O)OCCOC(=O)C(=C)C)CC(C)(C)CNC(=O)OCCOC(=O)C(=C)C,"InChI=1S/C23H38N2O8/c1-16(2)19(26)30-10-12-32-21(28)24-9-8-18(5)14-23(6,7)15-25-22(29)33-13-11-31-20(27)17(3)4/h18H,1,3,8-15H2,2,4-7H3,(H,24,28)(H,25,29)",UEKHZPDUBLCUHN-UHFFFAOYSA-N,C23H38N2O8,470.6,470.2628162,4.1,129,703,0,2,8,19,33,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
SUCCINIC ACID,000110-15-6,1110,butanedioic acid,C(CC(=O)O)C(=O)O,"InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)",KDYFGRWQOYBRFD-UHFFFAOYSA-N,C4H6O4,118.09,118.0266087,-0.6,74.6,92,0,2,4,3,8,160 °C (open cup),"455 °F at 760 mmHg (Decomposes) (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
GLYCINE ETHYL ESTER HYDROCHLORIDE,000623-33-6,2723640,ethyl 2-aminoacetate;hydrochloride,CCOC(=O)CN.Cl,"InChI=1S/C4H9NO2.ClH/c1-2-7-4(6)3-5;/h2-3,5H2,1H3;1H",TXTWXQXDMWILOF-UHFFFAOYSA-N,C4H10ClNO2,139.58,139.0400063,,52.3,62,0,2,3,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
MAGNESIUM SILICATE,001343-88-0,72941442,magnesium;tris(oxygen(2-));silicon(4+),[O-2].[O-2].[O-2].[Mg+2].[Si+4],InChI=1S/Mg.3O.Si/q+2;3*-2;+4,ZADYMNAVLSWLEQ-UHFFFAOYSA-N,MgO3Si,100.39,99.9467121,,3,0,0,0,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM SULFATE,007778-80-5,24507,dipotassium;sulfate,[O-]S(=O)(=O)[O-].[K+].[K+],"InChI=1S/2K.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",OTYBMLCTZGSZBG-UHFFFAOYSA-L,K2O4S,174.26,173.8791426,,88.6,62,0,0,4,0,7,,1689 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
METHYL PENTADECANOATE,007132-64-1,23518,methyl pentadecanoate,CCCCCCCCCCCCCCC(=O)OC,"InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18-2/h3-15H2,1-2H3",XIUXKAZJZFLLDQ-UHFFFAOYSA-N,C16H32O2,256.42,256.2402303,7.4,26.3,178,0,0,2,14,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
METHYL TETRACOSANOATE,002442-49-1,75546,methyl tetracosanoate,CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC,"InChI=1S/C25H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h3-24H2,1-2H3",XUDJZDNUVZHSKZ-UHFFFAOYSA-N,C25H50O2,382.7,382.3810808,12.3,26.3,288,0,0,2,23,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
LAURIC ACID MONOETHANOLAMIDE,000142-78-9,8899,N-(2-hydroxyethyl)dodecanamide,CCCCCCCCCCCC(=O)NCCO,"InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)15-12-13-16/h16H,2-13H2,1H3,(H,15,17)",QZXSMBBFBXPQHI-UHFFFAOYSA-N,C14H29NO2,243.39,243.2198292,4,49.3,172,0,2,2,12,17,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
ACETYLTHIOCHOLINE CHLORIDE,006050-81-3,22411,2-acetylsulfanylethyl(trimethyl)azanium chloride,CC(=O)SCC[N+](C)(C)C.[Cl-],"InChI=1S/C7H16NOS.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1",GZYVLKKMMDFCKR-UHFFFAOYSA-M,C7H16ClNOS,197.73,197.064113,,42.4,117,0,0,3,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"POLY(PHENYLMETHYLSILOXANE), VINYL TERMINATED",225927-21-9,87390,bis[[ethenyl(dimethyl)silyl]oxy]-dimethylsilane,C[Si](C)(C=C)O[Si](C)(C)O[Si](C)(C)C=C,"InChI=1S/C10H24O2Si3/c1-9-13(3,4)11-15(7,8)12-14(5,6)10-2/h9-10H,1-2H2,3-8H3",MFWYAJVOUCTAQI-UHFFFAOYSA-N,C10H24O2Si3,260.55,260.1084096,,18.5,223,0,0,2,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
N-CARBAMYL-A-AMINO-ISOBUTYRIC ACID,038605-63-9,4155322,2-(carbamoylamino)-2-methylpropanoic acid,CC(C)(C(=O)O)NC(=O)N,"InChI=1S/C5H10N2O3/c1-5(2,3(8)9)7-4(6)10/h1-2H3,(H,8,9)(H3,6,7,10)",FMXWPTBQTITILA-UHFFFAOYSA-N,C5H10N2O3,146.14,146.0691422,-0.8,92.4,164,0,3,3,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
CALCIUM FORMATE,000544-17-2,10997,calcium diformate,C(=O)[O-].C(=O)[O-].[Ca+2],"InChI=1S/2CH2O2.Ca/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2",CBOCVOKPQGJKKJ-UHFFFAOYSA-L,C2H2CaO4,130.11,129.9578994,,80.3,7,0,0,4,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
HEPTAFLUOROBUTANOIC ACID SILVER(1+) SALT,003794-64-7,19628,"silver 2,2,3,3,4,4,4-heptafluorobutanoate",C(=O)(C(C(C(F)(F)F)(F)F)(F)F)[O-].[Ag+],"InChI=1S/C4HF7O2.Ag/c5-2(6,1(12)13)3(7,8)4(9,10)11;/h(H,12,13);/q;+1/p-1",GPNIJXACCBKBEP-UHFFFAOYSA-M,C4AgF7O2,320.9,319.88374,,40.1,212,0,0,9,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ALPHA.-[3,5-DIMETHYL-1-(2-METHYLPROPYL)HEXYL]-OMEGA-HYDROXYPOLY(OXY-1,2-ETHANEDIYL) [TERGITOL TMN-6]",060828-78-6,24982,"2-(2,6,8-trimethylnonan-4-yloxy)ethanol",CC(C)CC(C)CC(CC(C)C)OCCO,"InChI=1S/C14H30O2/c1-11(2)8-13(5)10-14(9-12(3)4)16-7-6-15/h11-15H,6-10H2,1-5H3",VKKFWRYCMZBXIG-UHFFFAOYSA-N,C14H30O2,230.39,230.2245802,4.2,29.5,155,0,1,2,9,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM BISULFATE MONOHYDRATE,010034-88-5,23673662,sodium;hydrogen sulfate;hydrate,O.OS(=O)(=O)[O-].[Na+],"InChI=1S/Na.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+1;;/p-1",JXHZRQHZVYDRGX-UHFFFAOYSA-M,H3NaO5S,138.08,137.9598887,,86.8,93,0,2,5,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
N-(2-HYDROXYETHYL)PROP-2-ENAMIDE,007646-67-5,193628,N-(2-hydroxyethyl)prop-2-enamide,C=CC(=O)NCCO,"InChI=1S/C5H9NO2/c1-2-5(8)6-3-4-7/h2,7H,1,3-4H2,(H,6,8)",UUORTJUPDJJXST-UHFFFAOYSA-N,C5H9NO2,115.13,115.0633285,-0.6,49.3,90,0,2,2,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0
3-ETHYLMALIC ACID,016048-76-3,439619,2-ethyl-3-hydroxybutanedioic acid,CCC(C(C(=O)O)O)C(=O)O,"InChI=1S/C6H10O5/c1-2-3(5(8)9)4(7)6(10)11/h3-4,7H,2H2,1H3,(H,8,9)(H,10,11)",JUCRENBZZQKFGK-UHFFFAOYSA-N,C6H10O5,162.14,162.0528234,-0.4,94.8,164,0,3,5,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
2-HYDROXY-3-METHYLBUTANEDIOIC ACID,000608-41-3,558882,2-hydroxy-3-methylbutanedioic acid,CC(C(C(=O)O)O)C(=O)O,"InChI=1S/C5H8O5/c1-2(4(7)8)3(6)5(9)10/h2-3,6H,1H3,(H,7,8)(H,9,10)",NPYQJIHHTGFBLN-UHFFFAOYSA-N,C5H8O5,148.11,148.0371734,-0.8,94.8,152,0,3,5,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
3-((AMINOCARBONYL)AMINO)-2-METHYLPROPANOIC ACID,002905-86-4,160663,3-(carbamoylamino)-2-methylpropanoic acid,CC(CNC(=O)N)C(=O)O,"InChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)",PHENTZNALBMCQD-UHFFFAOYSA-N,C5H10N2O3,146.14,146.0691422,-1,92.4,146,0,3,3,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,2'-(OXYBIS(2,1-ETHANEDIYLOXY))BISACETIC ACID",013887-98-4,83793,2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]acetic acid,C(COCC(=O)O)OCCOCC(=O)O,"InChI=1S/C8H14O7/c9-7(10)5-14-3-1-13-2-4-15-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)",HJZZQNLKBWJYPD-UHFFFAOYSA-N,C8H14O7,222.19,222.0739528,-1,102,171,0,2,7,10,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ALUMINUM FUMARATE,132041-53-3,169407959,dialuminum;(Z)-but-2-enedioate;bis((E)-but-2-enedioate),C(=C/C(=O)[O-])\C(=O)[O-].C(=C/C(=O)[O-])\C(=O)[O-].C(=C\C(=O)[O-])\C(=O)[O-].[Al+3].[Al+3],"InChI=1S/3C4H4O4.2Al/c3*5-3(6)1-2-4(7)8;;/h3*1-2H,(H,5,6)(H,7,8);;/q;;;2*+3/p-6/b2*2-1+;2-1-;;",MTEWCUZXTGXLQX-FHMZRGQISA-H,C12H6Al2O12,396.13,395.949002,,241,108,0,0,12,0,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-PROPANEDIOL, 2-AMINO-2-ETHYL-",000115-70-8,8282,"2-amino-2-ethylpropane-1,3-diol",CCC(CO)(CO)N,"InChI=1S/C5H13NO2/c1-2-5(6,3-7)4-8/h7-8H,2-4,6H2,1H3",IOAOAKDONABGPZ-UHFFFAOYSA-N,C5H13NO2,119.16,119.0946287,-1.3,66.5,61,0,3,3,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-HEPTENE, 2,2,4,6,6-PENTAMETHYL-",000123-48-8,31259,"2,2,4,6,6-pentamethylhept-3-ene",CC(=CC(C)(C)C)CC(C)(C)C,"InChI=1S/C12H24/c1-10(8-11(2,3)4)9-12(5,6)7/h8H,9H2,1-7H3",NBUMCEJRJRRLCA-UHFFFAOYSA-N,C12H24,168.32,168.1878008,5.2,0,159,0,0,0,3,12,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, SODIUM SALT (2:1)",000126-96-5,23662384,sodium;acetic acid;acetate,CC(=O)O.CC(=O)[O-].[Na+],"InChI=1S/2C2H4O2.Na/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+1/p-1",BHZOKUMUHVTPBX-UHFFFAOYSA-M,C4H7NaO4,142.09,142.024203,,77.4,65,0,1,4,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"TETRADECANAMIDE, N-(2-HYDROXYETHYL)-",000142-58-5,8890,N-(2-hydroxyethyl)tetradecanamide,CCCCCCCCCCCCCC(=O)NCCO,"InChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)17-14-15-18/h18H,2-15H2,1H3,(H,17,19)",JHIXEZNTXMFXEK-UHFFFAOYSA-N,C16H33NO2,271.44,271.2511293,5.1,49.3,195,0,2,2,14,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-PROPANEDIOL, 2-METHYL-2-(1-METHYLPROPYL)-",000813-60-5,98076,"2-butan-2-yl-2-methylpropane-1,3-diol",CCC(C)C(C)(CO)CO,"InChI=1S/C8H18O2/c1-4-7(2)8(3,5-9)6-10/h7,9-10H,4-6H2,1-3H3",MSRXHJALEMAKGB-UHFFFAOYSA-N,C8H18O2,146.23,146.1306798,1.4,40.5,87,0,2,2,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0
"PROPANOIC ACID, 3-HYDROXY-2,2-DIMETHYL-, 3-HYDROXY-2,2-DIMETHYLPROPYL ESTER",001115-20-4,14218,"(3-hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate",CC(C)(CO)COC(=O)C(C)(C)CO,"InChI=1S/C10H20O4/c1-9(2,5-11)7-14-8(13)10(3,4)6-12/h11-12H,5-7H2,1-4H3",SZCWBURCISJFEZ-UHFFFAOYSA-N,C10H20O4,204.26,204.1361591,0.8,66.8,196,0,2,4,6,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ALUMINUM HYDROXIDE SULFATE (AL(OH)(SO4)),001332-73-6,159381,aluminum;hydroxide;sulfate,[OH-].[O-]S(=O)(=O)[O-].[Al+3],"InChI=1S/Al.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+3;;/p-3",STNCDALPBBWSTC-UHFFFAOYSA-K,AlHO5S,140.05,139.9360077,,89.6,62,0,1,5,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"NONANEDIOIC ACID, DIMETHYL ESTER",001732-10-1,15612,dimethyl nonanedioate,COC(=O)CCCCCCCC(=O)OC,"InChI=1S/C11H20O4/c1-14-10(12)8-6-4-3-5-7-9-11(13)15-2/h3-9H2,1-2H3",DRUKNYVQGHETPO-UHFFFAOYSA-N,C11H20O4,216.27,216.1361591,2.5,52.6,169,0,0,4,10,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"SILICIC ACID (H4SIO4), TETRAKIS(1-METHYLETHYL) ESTER",001992-48-9,74813,tetrapropan-2-yl silicate,CC(C)O[Si](OC(C)C)(OC(C)C)OC(C)C,"InChI=1S/C12H28O4Si/c1-9(2)13-17(14-10(3)4,15-11(5)6)16-12(7)8/h9-12H,1-8H3",ZUEKXCXHTXJYAR-UHFFFAOYSA-N,C12H28O4Si,264.43,264.1756859,,36.9,159,0,0,4,8,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-PROPENE-1-SULFONIC ACID, SODIUM SALT",002495-39-8,23690996,sodium prop-2-ene-1-sulfonate,C=CCS(=O)(=O)[O-].[Na+],"InChI=1S/C3H6O3S.Na/c1-2-3-7(4,5)6;/h2H,1,3H2,(H,4,5,6);/q;+1/p-1",DIKJULDDNQFCJG-UHFFFAOYSA-M,C3H5NaO3S,144.13,143.9857095,,65.6,142,0,0,3,2,8,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"HEXANEDIOIC ACID, 2,2,4-TRIMETHYL-",003586-39-8,103783,"2,2,4-trimethylhexanedioic acid",CC(CC(=O)O)CC(C)(C)C(=O)O,"InChI=1S/C9H16O4/c1-6(4-7(10)11)5-9(2,3)8(12)13/h6H,4-5H2,1-3H3,(H,10,11)(H,12,13)",DWFUTNJGNBYHNN-UHFFFAOYSA-N,C9H16O4,188.22,188.104859,1.3,74.6,208,0,2,4,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"DODECANOIC ACID, 2-SULFO-, 1-METHYL ESTER, SODIUM SALT",004016-21-1,87064044,,CCCCCCCCCCC(C(=O)OC)S(=O)(=O)O.[Na],"InChI=1S/C13H26O5S.Na/c1-3-4-5-6-7-8-9-10-11-12(13(14)18-2)19(15,16)17;/h12H,3-11H2,1-2H3,(H,15,16,17);",QJNQZLCZCZEFAW-UHFFFAOYSA-N,C13H26NaO5S,317.4,317.1398644,,89.1,331,0,1,5,12,20,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 2-MERCAPTO-2-METHYL-",004695-31-2,78421,2-methyl-2-sulfanylpropanoic acid,CC(C)(C(=O)O)S,"InChI=1S/C4H8O2S/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)",JTMBCYAUSCBSEY-UHFFFAOYSA-N,C4H8O2S,120.17,120.0245007,0.7,38.3,87,0,2,3,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHORIC ACID, BIS(2-ETHYLHEXYL) ESTER, AMMONIUM SALT",004971-47-5,160772,azanium bis(2-ethylhexyl) phosphate,CCCCC(CC)COP(=O)([O-])OCC(CC)CCCC.[NH4+],"InChI=1S/C16H35O4P.H3N/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;/h15-16H,5-14H2,1-4H3,(H,17,18);1H3",AIJDCDQXDPERNG-UHFFFAOYSA-N,C16H38NO4P,339.45,339.2538457,,59.6,251,0,1,4,14,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"FORMIC ACID, ALUMINUM SALT",007360-53-4,62632,aluminum triformate,C(=O)[O-].C(=O)[O-].C(=O)[O-].[Al+3],"InChI=1S/3CH2O2.Al/c3*2-1-3;/h3*1H,(H,2,3);/q;;;+3/p-3",MJWPFSQVORELDX-UHFFFAOYSA-K,C3H3AlO6,162.03,161.9745012,,120,7,0,0,6,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHORIC ACID, MAGNESIUM SALT (2:1)",013092-66-5,6096959,magnesium bis(dihydrogen phosphate),OP(=O)(O)[O-].OP(=O)(O)[O-].[Mg+2],"InChI=1S/Mg.2H3O4P/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2",QQFLQYOOQVLGTQ-UHFFFAOYSA-L,H4MgO8P2,218.28,217.9231828,,161,49,0,4,8,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"(OC-6-11)-HEXAKIS(CYANO-KAPPAC)-COBALTATE(3-), ZINC (2:3)",014049-79-7,161020,dizinc;tris(cobalt(3+));octadecacyanide,[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Co+3].[Co+3].[Co+3].[Zn+2].[Zn+2],InChI=1S/18CN.3Co.2Zn/c18*1-2;;;;;/q18*-1;3*+3;2*+2,BZTFNYWVAOTQFT-UHFFFAOYSA-N,C18Co3N18Zn2-5,775.9,774.71009,,428,10,-5,0,36,0,41,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-OCTEN-3-OL, 3,7-DIMETHYL-",018479-49-7,86748,"3,7-dimethyloct-1-en-3-ol",CC(C)CCCC(C)(C=C)O,"InChI=1S/C10H20O/c1-5-10(4,11)8-6-7-9(2)3/h5,9,11H,1,6-8H2,2-4H3",IUDWWFNDSJRYRV-UHFFFAOYSA-N,C10H20O,156.26,156.1514153,3,20.2,118,0,1,1,5,11,,,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-HEXADECANOL, DIHYDROGEN PHOSPHATE, MONOPOTASSIUM SALT",019035-79-1,23672321,potassium hexadecyl hydrogen phosphate,CCCCCCCCCCCCCCCCOP(=O)(O)[O-].[K+],"InChI=1S/C16H35O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H2,17,18,19);/q;+1/p-1",RMGVATURDVPNOZ-UHFFFAOYSA-M,C16H34KO4P,360.51,360.183178,,69.6,265,0,1,4,16,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"HEXANOIC ACID, 3-HYDROXY-, METHYL ESTER",021188-58-9,519845,methyl 3-hydroxyhexanoate,CCCC(CC(=O)OC)O,"InChI=1S/C7H14O3/c1-3-4-6(8)5-7(9)10-2/h6,8H,3-5H2,1-2H3",ACCRBMDJCPPJDX-UHFFFAOYSA-N,C7H14O3,146.18,146.0942943,0.7,46.5,101,0,1,3,5,10,,220.00 to 221.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANAMINIUM, N-(2-HYDROXYETHYL)-N-METHYL-2-[(1-OXOOCTADECYL)OXY]-N-[2-[(1-OXO",032208-04-1,21124016,2-hydroxyethyl-methyl-bis(2-octadecanoyloxyethyl)azanium;methyl sulfate,CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCO)CCOC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-],"InChI=1S/C43H86NO5.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-42(46)48-40-37-44(3,36-39-45)38-41-49-43(47)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h45H,4-41H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",FPKBRMRMNGYJLA-UHFFFAOYSA-M,C44H89NO9S,808.2,807.6258046,,148,738,0,1,9,42,55,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANESULFONIC ACID, 2-[(2-AMINOETHYL)AMINO]-, MONOSODIUM SALT",034730-59-1,23686675,sodium 2-(2-aminoethylamino)ethanesulfonate,C(CNCCS(=O)(=O)[O-])N.[Na+],"InChI=1S/C4H12N2O3S.Na/c5-1-2-6-3-4-10(7,8)9;/h6H,1-5H2,(H,7,8,9);/q;+1/p-1",VRRABDXZDGRGPC-UHFFFAOYSA-M,C4H11N2NaO3S,190.2,190.0388077,,104,165,0,2,5,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
".BETA.-ALANINE, CALCIUM SALT (2:1)",036321-40-1,161901,calcium bis(3-aminopropanoate),C(CN)C(=O)[O-].C(CN)C(=O)[O-].[Ca+2],"InChI=1S/2C3H7NO2.Ca/c2*4-2-1-3(5)6;/h2*1-2,4H2,(H,5,6);/q;;+2/p-2",QRTVQUYKMVAQBJ-UHFFFAOYSA-L,C6H12CaN2O4,216.25,216.0422977,,132,47,0,2,6,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANEDIOIC ACID, SULFO-, C-[2-[2-[(1-OXO-9-OCTADECENYL)AMINO]ETHOXY]ETHYL] ES",056388-43-3,6436608,disodium;4-[2-[2-[[(Z)-octadec-9-enoyl]amino]ethoxy]ethoxy]-4-oxo-3-sulfonatobutanoate,CCCCCCCC/C=C\CCCCCCCC(=O)NCCOCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C26H47NO9S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)27-18-19-35-20-21-36-26(31)23(22-25(29)30)37(32,33)34;;/h9-10,23H,2-8,11-22H2,1H3,(H,27,28)(H,29,30)(H,32,33,34);;/q;2*+1/p-2/b10-9-;;",PCDVINMRZHPVSF-XXAVUKJNSA-L,C26H45NNa2O9S,593.7,593.2610418,,170,729,0,1,9,24,39,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANEDIOIC ACID, SULFO-, 4-[1-METHYL-2-[(1-OXO-9-OCTADECENYL)AMINO]ETHYL] EST",067815-88-7,106836,disodium;4-[1-(octadec-9-enoylamino)propan-2-yloxy]-4-oxo-2-sulfonatobutanoate,CCCCCCCCC=CCCCCCCCC(=O)NCC(C)OC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C25H45NO8S.2Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)26-20-21(2)34-24(28)19-22(25(29)30)35(31,32)33;;/h10-11,21-22H,3-9,12-20H2,1-2H3,(H,26,27)(H,29,30)(H,31,32,33);;/q;2*+1/p-2",XMZNGOXSJASRSI-UHFFFAOYSA-L,C25H43NNa2O8S,563.7,563.2504771,,161,711,0,1,8,21,37,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"OCTADECANOIC ACID, 9(OR 10)-SULFO-, POTASSIUM SALT",067968-63-2,172055,dipotassium;9-sulfonatooctadecanoate,CCCCCCCCCC(CCCCCCCC(=O)[O-])S(=O)(=O)[O-].[K+].[K+],"InChI=1S/C18H36O5S.2K/c1-2-3-4-5-6-8-11-14-17(24(21,22)23)15-12-9-7-10-13-16-18(19)20;;/h17H,2-16H2,1H3,(H,19,20)(H,21,22,23);;/q;2*+1/p-2",BWZXEKWABSTKSN-UHFFFAOYSA-L,C18H34K2O5S,440.7,440.1401083,,106,381,0,0,5,15,26,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
"ACETIC ACID, (2-BUTOXYETHOXY)-, SODIUM SALT",067990-17-4,23675884,sodium 2-(2-butoxyethoxy)acetate,CCCCOCCOCC(=O)[O-].[Na+],"InChI=1S/C8H16O4.Na/c1-2-3-4-11-5-6-12-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+1/p-1",JOWTZKYGHSPYKA-UHFFFAOYSA-M,C8H15NaO4,198.19,198.0868032,,58.6,119,0,0,4,8,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"OCTADECANOIC ACID, SULFO-, SODIUM SALT",067998-94-1,23675887,sodium 18-hydroxy-18-oxooctadecane-1-sulfonate,C(CCCCCCCCC(=O)O)CCCCCCCCS(=O)(=O)[O-].[Na+],"InChI=1S/C18H36O5S.Na/c19-18(20)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-24(21,22)23;/h1-17H2,(H,19,20)(H,21,22,23);/q;+1/p-1",PMCRAALPHHXOIX-UHFFFAOYSA-M,C18H35NaO5S,386.5,386.2102897,,103,393,0,1,5,18,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"GLYCINE, N-METHYL-N-(1-OXODODECYL)-, AMMONIUM SALT",068003-46-3,106358,azane;2-[dodecanoyl(methyl)amino]acetic acid,CCCCCCCCCCCC(=O)N(C)CC(=O)O.N,"InChI=1S/C15H29NO3.H3N/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19;/h3-13H2,1-2H3,(H,18,19);1H3",OCSIXPGPUXCISD-UHFFFAOYSA-N,C15H32N2O3,288.43,288.2412929,,58.6,254,0,2,4,12,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PENTANOIC ACID, NONAFLUORO-, AMMONIUM SALT",068259-11-0,73556410,"azanium 2,2,3,3,4,4,5,5,5-nonafluoropentanoate",C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)[O-].[NH4+],"InChI=1S/C5HF9O2.H3N/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14;/h(H,15,16);1H3",QGKJZVRFHDAXTC-UHFFFAOYSA-N,C5H4F9NO2,281.08,281.0098318,,41.1,285,0,1,11,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
"OCTADECANOIC ACID, 9,10-DIHYDROXY-, MONOAMMONIUM SALT",084753-04-8,174384,"azanium 9,10-dihydroxyoctadecanoate",CCCCCCCCC(C(CCCCCCCC(=O)[O-])O)O.[NH4+],"InChI=1S/C18H36O4.H3N/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22;/h16-17,19-20H,2-15H2,1H3,(H,21,22);1H3",VYYNBCZACIOXPU-UHFFFAOYSA-N,C18H39NO4,333.5,333.2879087,,81.6,250,0,3,4,15,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-TETRADECANAMINIUM, N,N-DIMETHYL-N-TETRADECYL-, HEXA-.MU.-OXOTETRA-.MU.3-OXOD",117342-25-3,73557177,dimethyl-di(tetradecyl)azanium;molybdenum;nonacosahydrate,CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo],"InChI=1S/C30H64N.8Mo.29H2O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5-30H2,1-4H3;;;;;;;;;29*1H2/q+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;",JPBRYOZODMONPW-UHFFFAOYSA-N,C30H122Mo8NO29+,1728.9,1730.056947,,29,320,1,29,29,26,68,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ZINC DIALKYLDITHIOPHOSPHATE,004259-15-8,61339,zinc bis(bis(2-ethylhexoxy)-sulfanylidene-sulfido-lambda5-phosphane),CCCCC(CC)COP(=S)(OCC(CC)CCCC)[S-].CCCCC(CC)COP(=S)(OCC(CC)CCCC)[S-].[Zn+2],"InChI=1S/2C16H35O2PS2.Zn/c2*1-5-9-11-15(7-3)13-17-19(20,21)18-14-16(8-4)12-10-6-2;/h2*15-16H,5-14H2,1-4H3,(H,20,21);/q;;+2/p-2",OECQDNKCDGGPFY-UHFFFAOYSA-L,C32H68O4P2S4Zn,772.5,770.276711,,103,255,0,0,8,28,43,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
DEA-CETYL PHOSPHATE,069331-39-1,6365571,hexadecyl phosphate;2-(2-hydroxyethylamino)ethanol,CCCCCCCCCCCCCCCCOP(=O)([O-])[O-].C(CO)NCCO,"InChI=1S/C16H35O4P.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;6-3-1-5-2-4-7/h2-16H2,1H3,(H2,17,18,19);5-7H,1-4H2/p-2",GKKMCECQQIKAHA-UHFFFAOYSA-L,C20H44NO6P-2,425.5,425.2906251,,125,270,-2,3,7,19,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
2-(METHYL(1-OXO-9-OCTADECENYL)AMINOMETHANESULFONIC ACID POTASSIUM SALT,130976-49-7,87445014,potassium 2-[methyl-[(Z)-octadec-9-enoyl]amino]ethanesulfonate,CCCCCCCC/C=C\CCCCCCCC(=O)N(C)CCS(=O)(=O)[O-].[K+],"InChI=1S/C21H41NO4S.K/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22(2)19-20-27(24,25)26;/h10-11H,3-9,12-20H2,1-2H3,(H,24,25,26);/q;+1/p-1/b11-10-;",XLXRNHIXPJCVKI-GMFCBQQYSA-M,C21H40KNO4S,441.7,441.2315114,,85.9,489,0,0,4,18,28,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"SILICIC ACID, LITHIUM SALT",012627-14-4,9920381,tetralithium;silicate,[Li+].[Li+].[Li+].[Li+].[O-][Si]([O-])([O-])[O-],"InChI=1S/4Li.O4Si/c;;;;1-5(2,3)4/q4*+1;-4",YTZVWGRNMGHDJE-UHFFFAOYSA-N,Li4O4Si,120,120.0205987,,92.2,19,0,0,4,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"Trisiloxane, 1,1-diphenyl-1,3,3,5,5-pentamethyl-",,23657856,disilyloxysilane,O([SiH3])[SiH2]O[SiH3],"InChI=1S/H8O2Si3/c3-1-5-2-4/h5H2,3-4H3",ZQTYRTSKQFQYPQ-UHFFFAOYSA-N,H8O2Si3,124.32,123.9832091,,18.5,12,0,0,2,2,5,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PERBORIC ACID, SODIUM SALT, TETRAHYDRATE",010486-00-7,23676691,sodium;oxidooxy(oxo)borane;tetrahydrate,B(=O)O[O-].O.O.O.O.[Na+],InChI=1S/BHO3.Na.4H2O/c2-1-4-3;;;;;/h3H;;4*1H2/q;+1;;;;/p-1,BXULPSCUJWIATB-UHFFFAOYSA-M,BH8NaO7,153.86,154.026077,,53.4,20,0,4,7,0,9,,,0,0,1,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,1
"ETHANOL, 2-[2-[2-(DODECYLOXY)ETHOXY]ETHOXY]-",003055-94-5,76458,2-[2-(2-dodecoxyethoxy)ethoxy]ethanol,CCCCCCCCCCCCOCCOCCOCCO,"InChI=1S/C18H38O4/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-22-18-16-21-14-12-19/h19H,2-18H2,1H3",FKMHSNTVILORFA-UHFFFAOYSA-N,C18H38O4,318.5,318.2770097,4.8,47.9,188,0,1,4,19,22,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3,3'-THIODIPROPIONIC ACID",000111-17-1,8096,3-(2-carboxyethylsulfanyl)propanoic acid,C(CSCCC(=O)O)C(=O)O,"InChI=1S/C6H10O4S/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)",ODJQKYXPKWQWNK-UHFFFAOYSA-N,C6H10O4S,178.21,178.02998,-0.1,99.9,130,0,2,5,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Ammonium dihexadecyldimethyl-, chloride",001812-53-9,15743,dihexadecyl(dimethyl)azanium chloride,CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC.[Cl-],"InChI=1S/C34H72N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(3,4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-34H2,1-4H3;1H/q+1;/p-1",ZCPCLAPUXMZUCD-UHFFFAOYSA-M,C34H72ClN,530.4,529.535329,,0,341,0,0,1,30,36,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"SILICIC ACID (H2SI2O5), DISODIUM SALT",013870-28-5,61699,disodium;oxido-[oxido(oxo)silyl]oxy-oxosilane,[O-][Si](=O)O[Si](=O)[O-].[Na+].[Na+],InChI=1S/2Na.O5Si2/c;;1-6(2)5-7(3)4/q2*+1;-2,OQEVSCYDUYRAAM-UHFFFAOYSA-N,Na2O5Si2,182.15,181.9079647,,89.5,71,0,0,5,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"OCTADECANOIC ACID, 9(OR 10)-(SULFOOXY)-, POTASSIUM SALT",068422-22-0,23668650,potassium 1-carboxyheptadecan-8-yl sulfate,CCCCCCCCCC(CCCCCCCC(=O)O)OS(=O)(=O)[O-].[K+],"InChI=1S/C18H36O6S.K/c1-2-3-4-5-6-8-11-14-17(24-25(21,22)23)15-12-9-7-10-13-16-18(19)20;/h17H,2-16H2,1H3,(H,19,20)(H,21,22,23);/q;+1/p-1",UHJGFDBVGZHJQE-UHFFFAOYSA-M,C18H35KO6S,418.6,418.1791415,,112,422,0,1,6,18,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"N,N-DIMETHYL-N-OCTADECYL-1-OCTADECANAMINIUM CHLORIDE",000107-64-2,7879,dimethyl(dioctadecyl)azanium chloride,CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Cl-],"InChI=1S/C38H80N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1",REZZEXDLIUJMMS-UHFFFAOYSA-M,C38H80ClN,586.5,585.5979293,,0,390,0,0,1,34,40,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANOL, 2-(OCTYLTHIO)-",003547-33-9,19079,2-octylsulfanylethanol,CCCCCCCCSCCO,"InChI=1S/C10H22OS/c1-2-3-4-5-6-7-9-12-10-8-11/h11H,2-10H2,1H3",KXPXKNBDCUOENF-UHFFFAOYSA-N,C10H22OS,190.35,190.1391365,3.6,45.5,76,0,1,2,9,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"HEXANOIC ACID, 2-ETHYL-, MAGNESIUM SALT",015602-15-0,85882,magnesium bis(2-ethylhexanoate),CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Mg+2],"InChI=1S/2C8H16O2.Mg/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",CGSNFLLWLBPMLH-UHFFFAOYSA-L,C16H30MgO4,310.71,310.1994511,,80.3,93,0,0,4,8,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
"OCTANEDIOIC ACID, 2-BUTYL-",050905-10-7,6452288,2-butyloctanedioic acid,CCCCC(CCCCCC(=O)O)C(=O)O,"InChI=1S/C12H22O4/c1-2-3-7-10(12(15)16)8-5-4-6-9-11(13)14/h10H,2-9H2,1H3,(H,13,14)(H,15,16)",OWCLRJQYKBAMOL-UHFFFAOYSA-N,C12H22O4,230.3,230.1518092,2.5,74.6,213,0,2,4,10,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-PROPANESULFONIC ACID, 2-HYDROXY-3-(2-PROPENYLOXY)-, MONOSODIUM SALT",052556-42-0,23677323,sodium 2-hydroxy-3-prop-2-enoxypropane-1-sulfonate,C=CCOCC(CS(=O)(=O)[O-])O.[Na+],"InChI=1S/C6H12O5S.Na/c1-2-3-11-4-6(7)5-12(8,9)10;/h2,6-7H,1,3-5H2,(H,8,9,10);/q;+1/p-1",CJGJYOBXQLCLRG-UHFFFAOYSA-M,C6H11NaO5S,218.21,218.0224889,,95,220,0,1,5,6,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
"1-PROPANAMINE, 3-(TRIMETHOXYSILYL)-N-[3-(TRIMETHOXYSILYL)PROPYL]-",082985-35-1,157882,3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine,CO[Si](CCCNCCC[Si](OC)(OC)OC)(OC)OC,"InChI=1S/C12H31NO6Si2/c1-14-20(15-2,16-3)11-7-9-13-10-8-12-21(17-4,18-5)19-6/h13H,7-12H2,1-6H3",TZZGHGKTHXIOMN-UHFFFAOYSA-N,C12H31NO6Si2,341.55,341.1689908,,67.4,211,0,1,7,14,21,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM CHLORIDE,007647-14-5,5234,sodium chloride,[Na+].[Cl-],InChI=1S/ClH.Na/h1H;/q;+1/p-1,FAPWRFPIFSIZLT-UHFFFAOYSA-M,ClNa,58.44,57.958622,,0,2,0,0,1,0,2,,1465 °C,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"STRONTIUM CHLORIDE, HEXAHYDRATE",010025-70-4,6101868,strontium;dichloride;hexahydrate,O.O.O.O.O.O.[Cl-].[Cl-].[Sr+2],InChI=1S/2ClH.6H2O.Sr/h2*1H;6*1H2;/q;;;;;;;;+2/p-2,AMGRXJSJSONEEG-UHFFFAOYSA-L,Cl2H12O6Sr,266.62,265.9067057,,6,0,0,6,8,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM BROMIDE,007647-15-6,253881,sodium bromide,[Na+].[Br-],InChI=1S/BrH.Na/h1H;/q;+1/p-1,JHJLBTNAGRQEKS-UHFFFAOYSA-M,BrNa,102.89,101.90811,,0,2,0,0,1,0,2,,1390 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,1
DIETHYLENETRIAMINEPENTAACETIC ACID,000067-43-6,3053,2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid,C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O,"InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)",QPCDCPDFJACHGM-UHFFFAOYSA-N,C14H23N3O10,393.35,393.1383439,-8.5,196,481,0,5,13,16,27,,Decomposes,0,0,1,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,1,0
VANADIUM(II) OXIDE,012035-98-2,24411,oxovanadium,O=[V],InChI=1S/O.V,IBYSTTGVDIFUAY-UHFFFAOYSA-N,OV,66.941,66.938872,,17.1,2,0,0,1,0,2,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1
TETRAFLUOROBORATE(1-) ANTIMONY(3+) (3:1),014486-20-5,167104,antimony(3+) tritetrafluoroborate,[B-](F)(F)(F)F.[B-](F)(F)(F)F.[B-](F)(F)(F)F.[Sb+3],"InChI=1S/3BF4.Sb/c3*2-1(3,4)5;/q3*-1;+3",PGFNTKZOUHWLIN-UHFFFAOYSA-N,B3F12Sb,382.2,381.91256,,0,19,0,0,15,0,16,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,1,1
"ALUMINUM, BIS(2-ETHYLHEXANOATO-O)HYDROXY-",030745-55-2,2734950,aluminum;bis(2-ethylhexanoate);hydroxide,CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[OH-].[Al+3],"InChI=1S/2C8H16O2.Al.H2O/c2*1-3-5-6-7(4-2)8(9)10;;/h2*7H,3-6H2,1-2H3,(H,9,10);;1H2/q;;+3;/p-3",ITXFWNWNWXSDBB-UHFFFAOYSA-K,C16H31AlO5,330.4,330.1986875,,81.3,93,0,1,5,8,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
"HEXANOIC ACID, 2-ETHYL-, MOLYBDENUM SALT",034041-09-3,169565,2-ethylhexanoate;molybdenum,CCCCC(CC)C(=O)[O-].[Mo],"InChI=1S/C8H16O2.Mo/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/p-1",VXIWJTFRRIZCQJ-UHFFFAOYSA-M,C8H15MoO2-,239.15,241.012608,,40.1,93,-1,0,2,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
MOLYBDIC ACID,007782-91-4,82208,dihydroxy(dioxo)molybdenum,O[Mo](=O)(=O)O,InChI=1S/Mo.2H2O.2O/h;2*1H2;;/q+2;;;;/p-2,VLAPMBHFAWRUQP-UHFFFAOYSA-L,H2MoO4,161.96,163.900712,,74.6,81,0,2,4,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1
CARBON BLACK,001333-86-4,5462310,methane,C,InChI=1S/C,OKTJSMMVPCPJKN-UHFFFAOYSA-N,C,12.011,12,0.6,0,0,0,0,0,0,1,,"Sublimes at 3642 °C; triple point (graphite-liquid-gas), 4492 °C at a pressure of 101.325 kPa",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
DIMETHYL MALONATE,000108-59-8,7943,dimethyl propanedioate,COC(=O)CC(=O)OC,"InChI=1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3",BEPAFCGSDWSTEL-UHFFFAOYSA-N,C5H8O4,132.11,132.0422587,0,52.6,104,0,0,4,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
CALCIUM SILICATE,001344-95-2,73415800,calcium bis(trihydroxy(oxido)silane),O[Si](O)(O)[O-].O[Si](O)(O)[O-].[Ca+2],"InChI=1S/Ca.2H3O4Si/c;2*1-5(2,3)4/h;2*1-3H/q+2;2*-1",LECAAGVQUHQAJK-UHFFFAOYSA-N,CaH6O8Si2,230.29,229.9227111,,168,25,0,6,8,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
METHYL OLEATE,000112-62-9,5364509,methyl (Z)-octadec-9-enoate,CCCCCCCC/C=C\CCCCCCCC(=O)OC,"InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-",QYDYPVFESGNLHU-KHPPLWFESA-N,C19H36O2,296.5,296.2715304,7.6,26.3,246,0,0,2,16,21,,"425.3 °F at 20 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"SODIUM PHOSPHATE, DIBASIC",007558-79-4,24203,disodium;hydrogen phosphate,OP(=O)([O-])[O-].[Na+].[Na+],"InChI=1S/2Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2",BNIILDVGGAEEIG-UHFFFAOYSA-L,HNa2O4P,141.959,141.9407841,,83.4,46,0,1,4,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
DIETHYLENE GLYCOL MONOBUTYL ETHER ACETATE,000124-17-4,31288,2-(2-butoxyethoxy)ethyl acetate,CCCCOCCOCCOC(=O)C,"InChI=1S/C10H20O4/c1-3-4-5-12-6-7-13-8-9-14-10(2)11/h3-9H2,1-2H3",VXQBJTKSVGFQOL-UHFFFAOYSA-N,C10H20O4,204.26,204.1361591,1.1,44.8,136,0,0,4,10,14,"240 °F (USCG, 1999)","475 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
DL-LYSINE HYDROCHLORIDE,000070-53-1,12047,"2,6-diaminohexanoic acid;hydrochloride",C(CCN)CC(C(=O)O)N.Cl,"InChI=1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H",BVHLGVCQOALMSV-UHFFFAOYSA-N,C6H15ClN2O2,182.65,182.0822054,,89.3,106,0,4,4,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
1-DOCOSANOL,000661-19-8,12620,docosan-1-ol,CCCCCCCCCCCCCCCCCCCCCCO,"InChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3",NOPFSRXAKWQILS-UHFFFAOYSA-N,C22H46O,326.6,326.3548661,10.5,20.2,190,0,1,1,20,23,195 °C,180 °C at 0.22 mm Hg,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"CALCIUM CHLORIDE, DIHYDRATE",010035-04-8,6093260,calcium;dichloride;dihydrate,O.O.[Cl-].[Cl-].[Ca+2],InChI=1S/Ca.2ClH.2H2O/h;2*1H;2*1H2/q+2;;;;/p-2,LLSDKQJKOVVTOJ-UHFFFAOYSA-L,CaCl2H4O2,147.01,145.9214256,,2,0,0,2,4,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
L-ARGININE,000074-79-3,6322,(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid,C(C[C@@H](C(=O)O)N)CN=C(N)N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1",ODKSFYDXXFIFQN-BYPYZUCNSA-N,C6H14N4O2,174.2,174.1116757,-4.2,128,176,0,4,4,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"SODIUM PHOSPHATE, MONOBASIC",007558-80-7,23672064,sodium dihydrogen phosphate,OP(=O)(O)[O-].[Na+],"InChI=1S/Na.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1",AJPJDKMHJJGVTQ-UHFFFAOYSA-M,H2NaO4P,119.977,119.9588398,,80.6,61,0,2,4,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
TETRAETHYLENE GLYCOL,000112-60-7,8200,2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol,C(COCCOCCOCCO)O,"InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2",UWHCKJMYHZGTIT-UHFFFAOYSA-N,C8H18O5,194.23,194.1154237,-1.6,68.2,78,0,2,5,10,13,"360 °F (USCG, 1999)","621 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
CALCIUM STEARATE,001592-23-0,15324,calcium bis(octadecanoate),CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2],"InChI=1S/2C18H36O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",CJZGTCYPCWQAJB-UHFFFAOYSA-L,C36H70CaO4,607,606.4900016,,80.3,196,0,0,4,30,41,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
D(+)-GALACTOSAMINE HYDROCHLORIDE,001772-03-8,74493,"(2R,3R,4R,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal;hydrochloride",C([C@H]([C@@H]([C@@H]([C@H](C=O)N)O)O)O)O.Cl,"InChI=1S/C6H13NO5.ClH/c7-3(1-8)5(11)6(12)4(10)2-9;/h1,3-6,9-12H,2,7H2;1H/t3-,4+,5+,6-;/m0./s1",CBOJBBMQJBVCMW-NQZVPSPJSA-N,C6H14ClNO5,215.63,215.0560502,,124,142,0,6,6,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
STRONTIUM ZIRCONATE,012036-39-4,82852,strontium dioxido(oxo)zirconium,[O-][Zr](=O)[O-].[Sr+2],InChI=1S/3O.Sr.Zr/q;2*-1;+2;,FCCTVDGKMTZSPU-UHFFFAOYSA-N,O3SrZr,226.84,225.795055,,63.2,18,0,0,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM PYROPHOSPHATE,007320-34-5,23740,tetrapotassium;phosphonato phosphate,[O-]P(=O)([O-])OP(=O)([O-])[O-].[K+].[K+].[K+].[K+],"InChI=1S/4K.H4O7P2/c;;;;1-8(2,3)7-9(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)/q4*+1;/p-4",RYCLIXPGLDDLTM-UHFFFAOYSA-J,K4O7P2,330.34,329.7667523,,136,124,0,0,7,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
NIOBIUM SILICIDE,012034-80-9,6336884,,[Si]=[Nb]=[Si],InChI=1S/Nb.2Si,GXAAOBARRLPQRY-UHFFFAOYSA-N,NbSi2,149.08,148.86023,,0,18,0,0,0,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
VERMICULITE,001318-00-9,156593754,,O.[OH-].[O].[O-][Si](=O)[O-].[Mg].[Al].[Fe],InChI=1S/Al.Fe.Mg.O3Si.2H2O.O/c;;;1-4(2)3;;;/h;;;;2*1H2;/q;;;-2;;;/p-1,CLRQDEYEBLCJFZ-UHFFFAOYSA-M,AlFeH3MgO6Si-3,234.24,233.871405,,66.2,18,-3,2,6,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"FERRIC CITRATE, N-HYDRATE",002338-05-8,4989393,"2-hydroxypropane-1,2,3-tricarboxylic acid;iron",C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Fe],"InChI=1S/C6H8O7.Fe/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);",HUTBITLDXCEAPZ-UHFFFAOYSA-N,C6H8FeO7,247.97,247.961938,,132,233,0,4,7,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM TANTALATE,012030-91-0,165993,potassium;tris(oxygen(2-));tantalum(5+),[O-2].[O-2].[O-2].[K+].[Ta+5],InChI=1S/K.3O.Ta/q+1;3*-2;+5,HGMNOOPONDJVDV-UHFFFAOYSA-N,KO3Ta,268.044,267.89645,,3,0,0,0,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
2-METHYL-2-NITROSOPROPANE DIMER,006841-96-9,44134826,2-methyl-2-nitrosopropane,CC(C)(C)N=O.CC(C)(C)N=O,"InChI=1S/2C4H9NO/c2*1-4(2,3)5-6/h2*1-3H3",PKKJRWITDTTZCL-UHFFFAOYSA-N,C8H18N2O2,174.24,174.1368278,,58.9,53,0,0,4,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
6-PHOSPHOGLUCONIC ACID GRADE III TRISODIUM SALT,053411-70-4,422,"2,3,4,5-tetrahydroxy-6-phosphonooxyhexanoic acid",C(C(C(C(C(C(=O)O)O)O)O)O)OP(=O)(O)O,"InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)",BIRSGZKFKXLSJQ-UHFFFAOYSA-N,C6H13O10P,276.14,276.0246336,-4.5,185,299,0,7,10,7,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
HEXAETHYLENE GLYCOL,002615-15-8,17472,2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol,C(COCCOCCOCCOCCOCCO)O,"InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2",IIRDTKBZINWQAW-UHFFFAOYSA-N,C12H26O7,282.33,282.1678532,-1.9,86.6,141,0,2,7,16,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ALPHA-AMINOISOBUTYRIC ACID,000062-57-7,6119,2-amino-2-methylpropanoic acid,CC(C)(C(=O)O)N,"InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)",FUOOLUPWFVMBKG-UHFFFAOYSA-N,C4H9NO2,103.12,103.0633285,-2.8,63.3,87,0,2,3,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"POLY(OXY-1,4-BUTANEDIYL)-A-HYDRO-W-HYDROXY",025190-06-1,3084433,(2S)-2-butoxybutan-1-ol,CCCCO[C@@H](CC)CO,"InChI=1S/C8H18O2/c1-3-5-6-10-8(4-2)7-9/h8-9H,3-7H2,1-2H3/t8-/m0/s1",BJZYYSAMLOBSDY-QMMMGPOBSA-N,C8H18O2,146.23,146.1306798,1.6,29.5,64,0,1,2,6,10,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
CERIUM(IV) HYDROXIDE,012014-56-1,10219931,cerium(4+) tetrahydroxide,[OH-].[OH-].[OH-].[OH-].[Ce+4],InChI=1S/Ce.4H2O/h;4*1H2/q+4;;;;/p-4,WTVAYLQYAWAHAX-UHFFFAOYSA-J,CeH4O4,208.15,207.91641,,4,0,0,4,4,0,5,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"3,6-DITHIA-1,8-OCTANEDIOL",005244-34-8,78904,2-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]ethanol,C(CSCCSCCO)O,"InChI=1S/C6H14O2S2/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2",PDHFSBXFZGYBIP-UHFFFAOYSA-N,C6H14O2S2,182.3,182.043522,0,91.1,53,0,2,4,7,10,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
DL-2-AMINOBUTYRIC ACID,002835-81-6,6657,2-aminobutanoic acid,CCC(C(=O)O)N,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)",QWCKQJZIFLGMSD-UHFFFAOYSA-N,C4H9NO2,103.12,103.0633285,-2.5,63.3,72,0,2,3,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
BIS(2-ETHOXYETHYL) DECANEDIOATE,000624-10-2,73956,bis(2-ethoxyethyl) decanedioate,CCOCCOC(=O)CCCCCCCCC(=O)OCCOCC,"InChI=1S/C18H34O6/c1-3-21-13-15-23-17(19)11-9-7-5-6-8-10-12-18(20)24-16-14-22-4-2/h3-16H2,1-2H3",UVRXDBUBNLXONB-UHFFFAOYSA-N,C18H34O6,346.5,346.2355388,3.2,71.1,276,0,0,6,19,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
DIMETHYL ADIPATE,000627-93-0,12329,dimethyl hexanedioate,COC(=O)CCCCC(=O)OC,"InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3",UDSFAEKRVUSQDD-UHFFFAOYSA-N,C8H14O4,174.19,174.0892089,1,52.6,135,0,0,4,7,12,"225 °F (USCG, 1999)","228.2 to 230 °F at 14 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
METHYL ACETYL RICINOLEATE,000140-03-4,5354176,"methyl (Z,12R)-12-acetyloxyoctadec-9-enoate",CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OC)OC(=O)C,"InChI=1S/C21H38O4/c1-4-5-6-13-16-20(25-19(2)22)17-14-11-9-7-8-10-12-15-18-21(23)24-3/h11,14,20H,4-10,12-13,15-18H2,1-3H3/b14-11-/t20-/m1/s1",CMOYPQWMTBSLJK-ACQXMXPUSA-N,C21H38O4,354.5,354.2770097,6.6,52.6,363,0,0,4,18,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
LAURIC ACID MONOISO-PROPANOLAMIDE,000142-54-1,9903249,N-(2-hydroxypropyl)dodecanamide,CCCCCCCCCCCC(=O)NCC(C)O,"InChI=1S/C15H31NO2/c1-3-4-5-6-7-8-9-10-11-12-15(18)16-13-14(2)17/h14,17H,3-13H2,1-2H3,(H,16,18)",MMBILEWCGWTAOV-UHFFFAOYSA-N,C15H31NO2,257.41,257.2354792,4.4,49.3,195,0,2,2,12,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ZINC PALMITATE,004991-47-3,9829659,zinc bis(hexadecanoate),CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[Zn+2],"InChI=1S/2C16H32O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2",GJAPSKMAVXDBIU-UHFFFAOYSA-L,C32H62O4Zn,576.2,574.393952,,80.3,172,0,0,4,26,37,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
AMMONIUM LAURATE,002437-23-2,159661,azanium dodecanoate,CCCCCCCCCCCC(=O)[O-].[NH4+],"InChI=1S/C12H24O2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);1H3",VJCJAQSLASCYAW-UHFFFAOYSA-N,C12H27NO2,217.35,217.2041791,,41.1,127,0,1,2,9,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
TRIETHANOLAMINE LAURATE,002224-49-9,62441,2-[bis(2-hydroxyethyl)amino]ethanol;dodecanoic acid,CCCCCCCCCCCC(=O)O.C(CO)N(CCO)CCO,"InChI=1S/C12H24O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;8-4-1-7(2-5-9)3-6-10/h2-11H2,1H3,(H,13,14);8-10H,1-6H2",WLMZUANPXHJWCH-UHFFFAOYSA-N,C18H39NO5,349.5,349.2828233,,101,188,0,4,6,16,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
A-KETOISOCAPROIC ACID SODIUM,004502-00-5,4137900,sodium 4-methyl-2-oxopentanoate,CC(C)CC(=O)C(=O)[O-].[Na+],"InChI=1S/C6H10O3.Na/c1-4(2)3-5(7)6(8)9;/h4H,3H2,1-2H3,(H,8,9);/q;+1/p-1",IXFAZKRLPPMQEO-UHFFFAOYSA-M,C6H9NaO3,152.12,152.0449384,,57.2,131,0,0,3,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
FERRIC CITRATE,003522-50-7,61300,"2-hydroxypropane-1,2,3-tricarboxylate;iron(3+)",C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Fe+3],"InChI=1S/C6H8O7.Fe/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3",NPFOYSMITVOQOS-UHFFFAOYSA-K,C6H5FeO7,244.94,244.938463,,141,211,0,1,7,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
1-EICOSANOL,000629-96-9,12404,icosan-1-ol,CCCCCCCCCCCCCCCCCCCCO,"InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3",BTFJIXJJCSYFAL-UHFFFAOYSA-N,C20H42O,298.5,298.323566,9.5,20.2,167,0,1,1,18,21,195 °C,309 °C at 750 mm Hg; 222 °C at 3 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-BUTANEDIOL",000584-03-2,11429,"butane-1,2-diol",CCC(CO)O,"InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3",BMRWNKZVCUKKSR-UHFFFAOYSA-N,C4H10O2,90.12,90.06807956,-0.2,40.5,28,0,2,2,2,6,90 °C,195-196.9 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
N-ACETYL-L-CYSTEINE,000616-91-1,12035,(2R)-2-acetamido-3-sulfanylpropanoic acid,CC(=O)N[C@@H](CS)C(=O)O,"InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1",PWKSKIMOESPYIA-BYPYZUCNSA-N,C5H9NO3S,163.2,163.0303143,0.4,67.4,148,0,3,4,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
CALCIUM CHLORIDE HEXAHYDRATE,007774-34-7,6093252,calcium;dichloride;hexahydrate,O.O.O.O.O.O.[Cl-].[Cl-].[Ca+2],InChI=1S/Ca.2ClH.6H2O/h;2*1H;6*1H2/q+2;;;;;;;;/p-2,QHFQAJHNDKBRBO-UHFFFAOYSA-L,CaCl2H12O6,219.07,217.9636843,,6,0,0,6,8,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
TRI(ETHYLENE GLYCOL) MONOETHYL ETHER,000112-50-5,8190,2-[2-(2-ethoxyethoxy)ethoxy]ethanol,CCOCCOCCOCCO,"InChI=1S/C8H18O4/c1-2-10-5-6-12-8-7-11-4-3-9/h9H,2-8H2,1H3",WFSMVVDJSNMRAR-UHFFFAOYSA-N,C8H18O4,178.23,178.1205091,-0.7,47.9,77,0,1,4,9,12,"275 °F (USCG, 1999)","493 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
4-DECANOL,002051-31-2,16320,decan-4-ol,CCCCCCC(CCC)O,"InChI=1S/C10H22O/c1-3-5-6-7-9-10(11)8-4-2/h10-11H,3-9H2,1-2H3",DTDMYWXTWWFLGJ-UHFFFAOYSA-N,C10H22O,158.28,158.1670653,3.8,20.2,71,0,1,1,7,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
L-ASPARTIC-4-13C ACID,081201-98-1,16213452,(2S)-2-amino(413C)butanedioic acid,C([C@@H](C(=O)O)N)[13C](=O)O,"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1/i3+1",CKLJMWTZIZZHCS-NSQKCYGPSA-N,C4H7NO4,134.1,134.0408625,-2.8,101,133,0,3,5,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
N-(2-AMINOETHYL)GLYCINE,024123-14-6,428913,2-(2-aminoethylamino)acetic acid,C(CNCC(=O)O)N,"InChI=1S/C4H10N2O2/c5-1-2-6-3-4(7)8/h6H,1-3,5H2,(H,7,8)",PIINGYXNCHTJTF-UHFFFAOYSA-N,C4H10N2O2,118.13,118.0742276,-3.8,75.4,74,0,3,4,4,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,2-BIS(HYDROXYMETHYL)PROPIONIC ACID",004767-03-7,78501,3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid,CC(CO)(CO)C(=O)O,"InChI=1S/C5H10O4/c1-5(2-6,3-7)4(8)9/h6-7H,2-3H2,1H3,(H,8,9)",PTBDIHRZYDMNKB-UHFFFAOYSA-N,C5H10O4,134.13,134.0579088,-1.3,77.8,106,0,3,4,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"1,2-OCTANEDIOL",001117-86-8,14231,"octane-1,2-diol",CCCCCCC(CO)O,"InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3",AEIJTFQOBWATKX-UHFFFAOYSA-N,C8H18O2,146.23,146.1306798,1.8,40.5,64,0,2,2,6,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"GLYOXYLIC ACID, SODIUM SALT",002706-75-4,23662273,sodium oxaldehydate,C(=O)C(=O)[O-].[Na+],"InChI=1S/C2H2O3.Na/c3-1-2(4)5;/h1H,(H,4,5);/q;+1/p-1",SOEVVANXSDKPIY-UHFFFAOYSA-M,C2HNaO3,96.02,95.98233817,,57.2,59,0,0,3,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
N-BOC-SERINOL,125414-41-7,10631565,"tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate",CC(C)(C)OC(=O)NC(CO)CO,"InChI=1S/C8H17NO4/c1-8(2,3)13-7(12)9-6(4-10)5-11/h6,10-11H,4-5H2,1-3H3,(H,9,12)",JHBKBRLRYPYBLP-UHFFFAOYSA-N,C8H17NO4,191.22,191.115758,-0.4,78.8,160,0,3,4,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"HOLMIUM(III) PHOSPHATE, ANHYDROUS",014298-39-6,16217787,holmium(3+) phosphate,[O-]P(=O)([O-])[O-].[Ho+3],"InChI=1S/Ho.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3",ZFEZZRFBMNCXLQ-UHFFFAOYSA-K,HoO4P,259.902,259.88375,,86.3,36,0,0,4,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
1-TETRACOSANOL,000506-51-4,10472,tetracosan-1-ol,CCCCCCCCCCCCCCCCCCCCCCCCO,"InChI=1S/C24H50O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25/h25H,2-24H2,1H3",TYWMIZZBOVGFOV-UHFFFAOYSA-N,C24H50O,354.7,354.3861662,11.6,20.2,214,0,1,1,22,25,,210 °C at 0.4 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ETHYL ALLOPHANATE,000626-36-8,69380,ethyl N-carbamoylcarbamate,CCOC(=O)NC(=O)N,"InChI=1S/C4H8N2O3/c1-2-9-4(8)6-3(5)7/h2H2,1H3,(H3,5,6,7,8)",PIHPSKJRLDSJPX-UHFFFAOYSA-N,C4H8N2O3,132.12,132.0534921,0.1,81.4,123,0,2,3,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
IMINODIACETIC ACID DISODIUM SALT,000928-72-3,13575,disodium;2-(carboxylatomethylamino)acetate,C(C(=O)[O-])NCC(=O)[O-].[Na+].[Na+],"InChI=1S/C4H7NO4.2Na/c6-3(7)1-5-2-4(8)9;;/h5H,1-2H2,(H,6,7)(H,8,9);;/q;2*+1/p-2",HAXVIVNBOQIMTE-UHFFFAOYSA-L,C4H5NNa2O4,177.07,177.0013962,,92.3,96,0,1,5,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-DICHLORO-1,1-DIFLUOROETHANE",001649-08-7,15442,"1,2-dichloro-1,1-difluoroethane",C(C(F)(F)Cl)Cl,"InChI=1S/C2H2Cl2F2/c3-1-2(4,5)6/h1H2",SKDFWEPBABSFMG-UHFFFAOYSA-N,C2H2Cl2F2,134.94,133.9501618,2.2,0,44,0,0,2,1,6,,46.8 °C @ 760 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
METHYLENEBUTANEDIOIC ACID DIBUTYL ESTER,002155-60-4,75080,dibutyl 2-methylidenebutanedioate,CCCCOC(=O)CC(=C)C(=O)OCCCC,"InChI=1S/C13H22O4/c1-4-6-8-16-12(14)10-11(3)13(15)17-9-7-5-2/h3-10H2,1-2H3",OGVXYCDTRMDYOG-UHFFFAOYSA-N,C13H22O4,242.31,242.1518092,3,52.6,258,0,0,4,11,17,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
1-CHLOROUNDECANE,002473-03-2,17186,1-chloroundecane,CCCCCCCCCCCCl,"InChI=1S/C11H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3",ZHKKNUKCXPWZOP-UHFFFAOYSA-N,C11H23Cl,190.75,190.1488284,6.3,0,71,0,0,0,9,12,,,1,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,1
GLYCERYL METHACRYLATE,005919-74-4,65442,"2,3-dihydroxypropyl 2-methylprop-2-enoate",CC(=C)C(=O)OCC(CO)O,"InChI=1S/C7H12O4/c1-5(2)7(10)11-4-6(9)3-8/h6,8-9H,1,3-4H2,2H3",QRIMLDXJAPZHJE-UHFFFAOYSA-N,C7H12O4,160.17,160.0735589,-0.1,66.8,153,0,2,4,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
PRASEODYMIUM(III) CHLORIDE HEXAHYDRATE,017272-46-7,46173011,praseodymium(3+);trichloride;hexahydrate,O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Pr+3],InChI=1S/3ClH.6H2O.Pr/h3*1H;6*1H2;/q;;;;;;;;;+3/p-3,HZYWHLVESVMEHZ-UHFFFAOYSA-K,Cl3H12O6Pr,355.35,353.87761,,6,0,0,6,9,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
(+-) -2-Aminopimelic Acid,000627-76-9,101122,2-aminoheptanedioic acid,C(CCC(=O)O)CC(C(=O)O)N,"InChI=1S/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)",JUQLUIFNNFIIKC-UHFFFAOYSA-N,C7H13NO4,175.18,175.0844579,-2.6,101,169,0,3,5,6,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
TETRADECAN-3-ONE,000629-23-2,69418,tetradecan-3-one,CCCCCCCCCCCC(=O)CC,"InChI=1S/C14H28O/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h3-13H2,1-2H3",OCHYRSKMMMYUMI-UHFFFAOYSA-N,C14H28O,212.37,212.2140155,5.6,17.1,140,0,0,1,11,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ALUMINUM HYDROXIDE, HYDRATE",001330-44-5,22721319,aluminum;trihydroxide;hydrate,O.[OH-].[OH-].[OH-].[Al+3],InChI=1S/Al.4H2O/h;4*1H2/q+3;;;;/p-3,SMYKVLBUSSNXMV-UHFFFAOYSA-K,AlH5O4,96.019,96.000322,,4,0,0,4,4,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ADIPIC ACID-D10,025373-21-1,16212946,"dideuterio 2,2,3,3,4,4,5,5-octadeuteriohexanedioate",[2H]C([2H])(C(=O)O[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O[2H],"InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)/i1D2,2D2,3D2,4D2/hD2",WNLRTRBMVRJNCN-YQMDOBQVSA-N,C6H10O4,156.2,156.1206763,0.1,74.6,114,0,2,4,5,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
1-OCTANOL-D18,069974-54-5,12215303,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecadeuterio-8-deuteriooxyoctane",[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O[2H],"InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D",KBPLFHHGFOOTCA-PBYHGZINSA-N,C8H18O,148.34,148.2487466,3,20.2,43,0,1,1,6,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
ZINC CTRATE DIHYDRATE,005990-32-9,16213234,"trizinc;bis(2-hydroxypropane-1,2,3-tricarboxylate);dihydrate",C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Zn+2].[Zn+2].[Zn+2],"InChI=1S/2C6H8O7.2H2O.3Zn/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H2;;;/q;;;;3*+2/p-6",OXAGUGIXGVHDGD-UHFFFAOYSA-H,C12H14O16Zn3,610.4,607.8125,,283,211,0,4,16,4,31,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"5-(DIMETHYLAMINO)-2-METHYL-5-OXO-PENTANOIC ACID, METHYL ESTER",1174627-68-9,58332853,methyl 5-(dimethylamino)-2-methyl-5-oxopentanoate,CC(CCC(=O)N(C)C)C(=O)OC,"InChI=1S/C9H17NO3/c1-7(9(12)13-4)5-6-8(11)10(2)3/h7H,5-6H2,1-4H3",WEFZXWJJPHGTTN-UHFFFAOYSA-N,C9H17NO3,187.24,187.1208434,0.4,46.6,189,0,0,3,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PENTANE-1,3,5-TRICARBOXYLIC ACID",006940-58-5,96220,"pentane-1,3,5-tricarboxylic acid",C(CC(=O)O)C(CCC(=O)O)C(=O)O,"InChI=1S/C8H12O6/c9-6(10)3-1-5(8(13)14)2-4-7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)(H,13,14)",ROTJZTYLACIJIG-UHFFFAOYSA-N,C8H12O6,204.18,204.0633881,-0.5,112,216,0,3,6,7,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PENTANE-1,2,5-TRIOL",014697-46-2,85763,"pentane-1,2,5-triol",C(CC(CO)O)CO,"InChI=1S/C5H12O3/c6-3-1-2-5(8)4-7/h5-8H,1-4H2",WEAYWASEBDOLRG-UHFFFAOYSA-N,C5H12O3,120.15,120.0786442,-1,60.7,46,0,3,3,4,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, CYANO-, METHYL ESTER",000105-34-0,7747,methyl 2-cyanoacetate,COC(=O)CC#N,"InChI=1S/C4H5NO2/c1-7-4(6)2-3-5/h2H2,1H3",ANGDWNBGPBMQHW-UHFFFAOYSA-N,C4H5NO2,99.09,99.0320284,-0.5,50.1,110,0,0,3,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-PROPANEDIOL, 2-BUTYL-2-ETHYL-",000115-84-4,61038,"2-butyl-2-ethylpropane-1,3-diol",CCCCC(CC)(CO)CO,"InChI=1S/C9H20O2/c1-3-5-6-9(4-2,7-10)8-11/h10-11H,3-8H2,1-2H3",DSKYSDCYIODJPC-UHFFFAOYSA-N,C9H20O2,160.25,160.1463299,1.8,40.5,87,0,2,2,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"CARBAMIC ACID, 2-METHYLPROPYL ESTER",000543-28-2,10973,2-methylpropyl carbamate,CC(C)COC(=O)N,"InChI=1S/C5H11NO2/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3,(H2,6,7)",BRUZQRBVNRKLJG-UHFFFAOYSA-N,C5H11NO2,117.15,117.0789786,0.6,52.3,80,0,1,2,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"HYDRAZINE, ETHYL-",000624-80-6,29062,ethylhydrazine,CCNN,"InChI=1S/C2H8N2/c1-2-4-3/h4H,2-3H2,1H3",WHRIKZCFRVTHJH-UHFFFAOYSA-N,C2H8N2,60.1,60.06874826,-0.6,38.1,8,0,2,2,1,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 2-HYDROXY-, CALCIUM SALT (2:1)",000814-80-2,13144,calcium bis(2-hydroxypropanoate),CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Ca+2],"InChI=1S/2C3H6O3.Ca/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2",MKJXYGKVIBWPFZ-UHFFFAOYSA-L,C6H10CaO6,218.22,218.0103289,,121,53,0,2,6,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, TRILITHIUM SALT",000919-16-4,13520,"trilithium;2-hydroxypropane-1,2,3-tricarboxylate",[Li+].[Li+].[Li+].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,"InChI=1S/C6H8O7.3Li/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3",WJSIUCDMWSDDCE-UHFFFAOYSA-K,C6H5Li3O7,210,210.0515378,,141,211,0,1,7,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
3-NONANONE,000925-78-0,61235,nonan-3-one,CCCCCCC(=O)CC,"InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h3-8H2,1-2H3",IYTXKIXETAELAV-UHFFFAOYSA-N,C9H18O,142.24,142.1357652,2.8,17.1,86,0,0,1,6,10,,187.00 to 188.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 2-HYDROXY-, MONOPOTASSIUM SALT",000996-31-6,23671663,potassium 2-hydroxypropanoate,CC(C(=O)[O-])O.[K+],"InChI=1S/C3H6O3.K/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1",PHZLMBHDXVLRIX-UHFFFAOYSA-M,C3H5KO3,128.17,127.9875755,,60.4,63,0,1,3,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3,6,9,12-TETRAOXAHEXADECAN-1-OL",001559-34-8,73791,2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethanol,CCCCOCCOCCOCCOCCO,"InChI=1S/C12H26O5/c1-2-3-5-14-7-9-16-11-12-17-10-8-15-6-4-13/h13H,2-12H2,1H3",MXVMODFDROLTFD-UHFFFAOYSA-N,C12H26O5,250.33,250.1780239,0.3,57.2,132,0,1,5,14,17,166 °C o.c.,304 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANE, 1,1,1,2,2,3,3-HEPTAFLUORO-3-[(TRIFLUOROETHENYL)OXY]-",001623-05-8,15388,"1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane",C(=C(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F,"InChI=1S/C5F10O/c6-1(7)2(8)16-5(14,15)3(9,10)4(11,12)13",KHXKESCWFMPTFT-UHFFFAOYSA-N,C5F10O,266.04,265.9789462,3.7,9.2,284,0,0,11,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"9-OCTADECENOIC ACID (Z)-, COMPD. WITH 2-AMINOETHANOL (1:1)",002272-11-9,5282489,2-aminoethanol;(Z)-octadec-9-enoic acid,CCCCCCCC/C=C\CCCCCCCC(=O)O.C(CO)N,"InChI=1S/C18H34O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4/h9-10H,2-8,11-17H2,1H3,(H,19,20);4H,1-3H2/b10-9-;",KGWDUNBJIMUFAP-KVVVOXFISA-N,C20H41NO3,343.5,343.3086442,,83.6,244,0,3,4,16,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"6-OCTEN-3-ONE, 4,7-DIMETHYL-",002550-11-0,102844,"4,7-dimethyloct-6-en-3-one",CCC(=O)C(C)CC=C(C)C,"InChI=1S/C10H18O/c1-5-10(11)9(4)7-6-8(2)3/h6,9H,5,7H2,1-4H3",WKQWDIFHKYWRTA-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,2.9,17.1,152,0,0,1,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-BUTENEDIOIC ACID (E)-, BIS[3-(TRIMETHOXYSILYL)PROPYL] ESTER",003371-62-8,6436929,bis(3-trimethoxysilylpropyl) (E)-but-2-enedioate,CO[Si](CCCOC(=O)/C=C/C(=O)OCCC[Si](OC)(OC)OC)(OC)OC,"InChI=1S/C16H32O10Si2/c1-19-27(20-2,21-3)13-7-11-25-15(17)9-10-16(18)26-12-8-14-28(22-4,23-5)24-6/h9-10H,7-8,11-14H2,1-6H3/b10-9+",GPWPWELMLCKXRP-MDZDMXLPSA-N,C16H32O10Si2,440.59,440.1534003,,108,420,0,0,10,18,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"L-ASPARTIC ACID, N-(3-CARBOXY-1-OXO-2-SULFOPROPYL)-N-OCTADECYL-, TETRASODIUM S",003401-73-8,91667938,sodium (2S)-2-[(3-carboxylato-2-sulfonatopropanoyl)-octadecylamino]butanedioate,CCCCCCCCCCCCCCCCCCN([C@@H](CC(=O)[O-])C(=O)[O-])C(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+],"InChI=1S/C26H47NO10S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(21(26(33)34)19-23(28)29)25(32)22(20-24(30)31)38(35,36)37;/h21-22H,2-20H2,1H3,(H,28,29)(H,30,31)(H,33,34)(H,35,36,37);/q;+1/p-4/t21-,22?;/m0./s1",JDCNYYIVPGPEEQ-GYFCLUQUSA-J,C26H43NNaO10S-3,584.7,584.250537,,206,779,-3,0,10,21,39,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,3-PROPANETRICARBOXYLIC ACID, 2-HYDROXY-, DIPOTASSIUM SALT",003609-96-9,145702,dipotassium;2-(carboxymethyl)-2-hydroxybutanedioate,C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O.[K+].[K+],"InChI=1S/C6H8O7.2K/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;2*+1/p-2",UZLGHNUASUZUOR-UHFFFAOYSA-L,C6H6K2O7,268.3,267.9387655,,138,234,0,2,7,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4-HEPTANONE, 2,6-DIHYDROXY-2,6-DIMETHYL-",003682-91-5,77259,"2,6-dihydroxy-2,6-dimethylheptan-4-one",CC(C)(CC(=O)CC(C)(C)O)O,"InChI=1S/C9H18O3/c1-8(2,11)5-7(10)6-9(3,4)12/h11-12H,5-6H2,1-4H3",GSKOWRJEBKQTKZ-UHFFFAOYSA-N,C9H18O3,174.24,174.1255944,-0.3,57.5,153,0,2,3,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, MERCAPTO-, DODECYL ESTER",003746-39-2,19546,dodecyl 2-sulfanylacetate,CCCCCCCCCCCCOC(=O)CS,"InChI=1S/C14H28O2S/c1-2-3-4-5-6-7-8-9-10-11-12-16-14(15)13-17/h17H,2-13H2,1H3",TVMDUMQNXXNGMG-UHFFFAOYSA-N,C14H28O2S,260.44,260.1810013,5.9,27.3,172,0,1,3,13,17,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-OCTADECANAMINIUM, N,N-DIMETHYL-N-OCTADECYL-, METHYL SULFATE",003843-16-1,77450,dimethyl(dioctadecyl)azanium;methyl sulfate,CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-],"InChI=1S/C38H80N.CH4O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-6(2,3)4/h5-38H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",FPDLLPXYRWELCU-UHFFFAOYSA-M,C39H83NO4S,662.1,661.6042813,,74.8,481,0,0,4,34,45,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,5-PENTANEDIOL, 3-METHYL-",004457-71-0,20524,"3-methylpentane-1,5-diol",CC(CCO)CCO,"InChI=1S/C6H14O2/c1-6(2-4-7)3-5-8/h6-8H,2-5H2,1H3",SXFJDZNJHVPHPH-UHFFFAOYSA-N,C6H14O2,118.17,118.0993797,0.3,40.5,39,0,2,2,4,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BORIC ACID (H3BO3), TRIHEXYL ESTER",005337-36-0,21423,trihexyl borate,B(OCCCCCC)(OCCCCCC)OCCCCCC,"InChI=1S/C18H39BO3/c1-4-7-10-13-16-20-19(21-17-14-11-8-5-2)22-18-15-12-9-6-3/h4-18H2,1-3H3",KDQYHGMMZKMQAA-UHFFFAOYSA-N,C18H39BO3,314.3,314.2992253,,27.7,169,0,0,3,18,22,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"TITANIUM, TETRAKIS(2-ETHYL-1,3-HEXANEDIOLATO)-",005575-43-9,49822942,"tetrakis(2-ethylhexane-1,3-diolate);hydron;titanium(4+)",[H+].[H+].[H+].[H+].CCCC(C(CC)C[O-])[O-].CCCC(C(CC)C[O-])[O-].CCCC(C(CC)C[O-])[O-].CCCC(C(CC)C[O-])[O-].[Ti+4],"InChI=1S/4C8H16O2.Ti/c4*1-3-5-8(10)7(4-2)6-9;/h4*7-8H,3-6H2,1-2H3;/q4*-2;+4/p+4",WZLRYEIJALOESF-UHFFFAOYSA-R,C32H68O8Ti,628.7,628.4393598,,184,73,0,4,8,20,41,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3,6,9,12-TETRAOXATETRADECAN-1-OL",005650-20-4,79734,2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethanol,CCOCCOCCOCCOCCO,"InChI=1S/C10H22O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11/h11H,2-10H2,1H3",GTAKOUPXIUWZIA-UHFFFAOYSA-N,C10H22O5,222.28,222.1467238,-0.8,57.2,110,0,1,5,12,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
4-NONANOL,005932-79-6,22217,nonan-4-ol,CCCCCC(CCC)O,"InChI=1S/C9H20O/c1-3-5-6-8-9(10)7-4-2/h9-10H,3-8H2,1-2H3",IXUOEGRSQCCEHB-UHFFFAOYSA-N,C9H20O,144.25,144.1514153,3.2,20.2,61,0,1,1,6,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"DIPHOSPHORIC ACID, COPPER SALT",010102-90-6,24940,copper phosphono dihydrogen phosphate,OP(=O)(O)OP(=O)(O)O.[Cu+2],"InChI=1S/Cu.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/q+2;",LCSAYGBGVLEKPO-UHFFFAOYSA-N,CuH4O7P2+2,241.52,240.872824,,124,147,2,4,7,2,10,,,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-PROPANOL, 2-[2-(2-METHOXYPROPOXY)PROPOXY]-",010213-77-1,25054,2-[2-(2-methoxypropoxy)propoxy]propan-1-ol,CC(CO)OCC(C)OCC(C)OC,"InChI=1S/C10H22O4/c1-8(5-11)13-7-10(3)14-6-9(2)12-4/h8-11H,5-7H2,1-4H3",WAEVWDZKMBQDEJ-UHFFFAOYSA-N,C10H22O4,206.28,206.1518092,0.4,47.9,129,0,1,4,8,14,"232 °F (USCG, 1999)","468 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"ACETIC ACID, MERCAPTO-, OCTADECYL ESTER",010220-46-9,82462,octadecyl 2-sulfanylacetate,CCCCCCCCCCCCCCCCCCOC(=O)CS,"InChI=1S/C20H40O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19-23/h23H,2-19H2,1H3",JQTFPHLEQLLQOT-UHFFFAOYSA-N,C20H40O2S,344.6,344.2749017,9.1,27.3,244,0,1,3,19,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ALUMINATE(12-), HEXAOXOTRIS[SULFATO(2-)]DI-, CALCIUM (1:6)",012004-14-7,160961,dialuminum;hexacalcium;hexakis(oxygen(2-));trisulfate,[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2],"InChI=1S/2Al.6Ca.3H2O4S.6O/c;;;;;;;;3*1-5(2,3)4;;;;;;/h;;;;;;;;3*(H2,1,2,3,4);;;;;;/q2*+3;6*+2;;;;6*-2/p-6",FRPRHMFFTRIJHL-UHFFFAOYSA-H,Al2Ca6O18S3,678.6,677.563299,,272,62,0,0,18,0,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
NIOBIUM BORIDE (NBB2),012007-29-3,82882,boranylidyneniobium,B#[Nb],InChI=1S/B.Nb,VDZMENNHPJNJPP-UHFFFAOYSA-N,BNb,103.72,103.91568,,0,10,0,0,0,0,2,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
VANADIUM SILICIDE (VSI2),012039-87-1,6336891,,[Si]=[V]=[Si],InChI=1S/2Si.V,LUWOVYQXZRKECH-UHFFFAOYSA-N,Si2V,107.11,106.897811,,0,18,0,0,0,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
MOLYBDENUM PHOSPHIDE (MOP),012163-69-8,82956,phosphanylidynemolybdenum,P#[Mo],InChI=1S/Mo.P,AMWVZPDSWLOFKA-UHFFFAOYSA-N,MoP,126.92,128.879166,,0,10,0,0,0,0,2,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"9-OCTADECENOIC ACID, 12-HYDROXY-, ZINC SALT (2:1), [R-(Z)]-",013040-19-2,6437808,"zinc bis((Z,12R)-12-hydroxyoctadec-9-enoate)",CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)[O-].CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)[O-].[Zn+2],"InChI=1S/2C18H34O3.Zn/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;;+2/p-2/b2*12-9-;/t2*17-;/m11./s1",GAWWVVGZMLGEIW-GNNYBVKZSA-L,C36H66O6Zn,660.3,658.415082,,121,256,0,2,6,28,43,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"N-(2-HYDROXY-3-SULFOPROPYL)-N,N-DIMETHYL-1-DODECANAMINIUM INNER SALT",013197-76-7,114474,3-[dodecyl(dimethyl)azaniumyl]-2-hydroxypropane-1-sulfonate,CCCCCCCCCCCC[N+](C)(C)CC(CS(=O)(=O)[O-])O,"InChI=1S/C17H37NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-18(2,3)15-17(19)16-23(20,21)22/h17,19H,4-16H2,1-3H3",DDGPBVIAYDDWDH-UHFFFAOYSA-N,C17H37NO4S,351.5,351.2443298,4.1,85.8,363,0,1,4,14,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"SILANE, DICHLOROMETHYLPENTYL-",013682-99-0,83659,dichloro-methyl-pentylsilane,CCCCC[Si](C)(Cl)Cl,"InChI=1S/C6H14Cl2Si/c1-3-4-5-6-9(2,7)8/h3-6H2,1-2H3",APGQQLCRLIBICD-UHFFFAOYSA-N,C6H14Cl2Si,185.16,184.0241824,,0,73,0,0,0,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ALUMINATE(1-), TETRAFLUORO-, SODIUM, (T-4)-",013821-15-3,61683,sodium tetrafluoroalumanuide,F[Al-](F)(F)F.[Na+],InChI=1S/Al.4FH.Na/h;4*1H;/q+3;;;;;+1/p-4,OFFWLHNWSNNPJW-UHFFFAOYSA-J,AlF4Na,125.96492,125.9649203,,0,19,0,0,5,0,6,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANOIC ACID, 4-(OCTADECYLAMINO)-4-OXO-2-SULFO-, DISODIUM SALT",014481-60-8,85742,disodium;4-(octadecylamino)-4-oxo-2-sulfonatobutanoate,CCCCCCCCCCCCCCCCCCNC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C22H43NO6S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(24)19-20(22(25)26)30(27,28)29;;/h20H,2-19H2,1H3,(H,23,24)(H,25,26)(H,27,28,29);;/q;2*+1/p-2",YXLIYGUJLJFLJH-UHFFFAOYSA-L,C22H41NNa2O6S,493.6,493.2449978,,135,525,0,1,6,19,32,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-BUTENEDIOIC ACID (E)-, DIAMMONIUM SALT",014548-85-7,9793847,diazanium;(E)-but-2-enedioate,C(=C/C(=O)[O-])\C(=O)[O-].[NH4+].[NH4+],"InChI=1S/C4H4O4.2H3N/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);2*1H3/b2-1+;;",CKKXWJDFFQPBQL-SEPHDYHBSA-N,C4H10N2O4,150.13,150.0640568,,82.3,108,0,2,4,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ACETAMIDE, N-[2-(ACETYLOXY)ETHYL]-",016180-96-4,85319,2-acetamidoethyl acetate,CC(=O)NCCOC(=O)C,"InChI=1S/C6H11NO3/c1-5(8)7-3-4-10-6(2)9/h3-4H2,1-2H3,(H,7,8)",SKPWGBMKZNVXFF-UHFFFAOYSA-N,C6H11NO3,145.16,145.0738932,-0.6,55.4,133,0,1,3,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"DECANEDIOIC ACID, DISODIUM SALT",017265-14-4,134734,disodium;decanedioate,C(CCCCC(=O)[O-])CCCC(=O)[O-].[Na+].[Na+],"InChI=1S/C10H18O4.2Na/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h1-8H2,(H,11,12)(H,13,14);;/q;2*+1/p-2",NCXUIEDQTCQZRK-UHFFFAOYSA-L,C10H16Na2O4,246.21,246.0843976,,80.3,146,0,0,4,7,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANOL, 2-[2-(2-METHYLPROPOXY)ETHOXY]-",018912-80-6,29331,2-[2-(2-methylpropoxy)ethoxy]ethanol,CC(C)COCCOCCO,"InChI=1S/C8H18O3/c1-8(2)7-11-6-5-10-4-3-9/h8-9H,3-7H2,1-2H3",YJTIFIMHZHDNQZ-UHFFFAOYSA-N,C8H18O3,162.23,162.1255944,0.6,38.7,73,0,1,3,7,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BORIC ACID (H3BO3), TRIS(DECYL) ESTER",020236-81-1,88422,tris-decyl borate,B(OCCCCCCCCCC)(OCCCCCCCCCC)OCCCCCCCCCC,"InChI=1S/C30H63BO3/c1-4-7-10-13-16-19-22-25-28-32-31(33-29-26-23-20-17-14-11-8-5-2)34-30-27-24-21-18-15-12-9-6-3/h4-30H2,1-3H3",WAXLMVCEFHKADZ-UHFFFAOYSA-N,C30H63BO3,482.6,482.487026,,27.7,302,0,0,3,30,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-HEPTANONE, 5-METHYL-, OXIME",022457-23-4,90787,N-(5-methylheptan-3-ylidene)hydroxylamine,CCC(C)CC(=NO)CC,"InChI=1S/C8H17NO/c1-4-7(3)6-8(5-2)9-10/h7,10H,4-6H2,1-3H3",CBVWMGCJNPPAAR-UHFFFAOYSA-N,C8H17NO,143.23,143.1310142,2.5,32.6,110,0,1,2,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"6-OCTENAL, 3,7-DIMETHYL-, OXIME",022457-25-6,89723,"N-(3,7-dimethyloct-6-enylidene)hydroxylamine",CC(CCC=C(C)C)CC=NO,"InChI=1S/C10H19NO/c1-9(2)5-4-6-10(3)7-8-11-12/h5,8,10,12H,4,6-7H2,1-3H3",JUCCIEVMICHZPK-UHFFFAOYSA-N,C10H19NO,169.26,169.1466642,3.2,32.6,157,0,1,2,5,12,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
2-TRIDECENENITRILE,022629-49-8,90818,tridec-2-enenitrile,CCCCCCCCCCC=CC#N,"InChI=1S/C13H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-12H,2-10H2,1H3",WKSPQBFDRTUGEF-UHFFFAOYSA-N,C13H23N,193.33,193.1830497,5.6,23.8,173,0,0,1,9,14,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANAL, 4-HYDROXY-",025714-71-0,93093,4-hydroxybutanal,C(CC=O)CO,"InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2",PIAOXUVIBAKVSP-UHFFFAOYSA-N,C4H8O2,88.11,88.05242949,-0.7,37.3,34,0,1,2,3,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 2-HYDROXY-, CALCIUM SALT (2:1), (S)-",028305-25-1,15774944,calcium bis((2S)-2-hydroxypropanoate),C[C@@H](C(=O)[O-])O.C[C@@H](C(=O)[O-])O.[Ca+2],"InChI=1S/2C3H6O3.Ca/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2/t2*2-;/m00./s1",MKJXYGKVIBWPFZ-CEOVSRFSSA-L,C6H10CaO6,218.22,218.0103289,,121,53,0,2,6,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-(1-OXOHEXADECYL)-.OMEGA.-[(1-OXOHEXADECYL)OX",032628-06-1,53436591,2-[2-(2-hexadecanoyloxyethoxy)ethoxy]ethyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C38H74O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(39)43-35-33-41-31-32-42-34-36-44-38(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3",CXBCIWUDBGGBGD-UHFFFAOYSA-N,C38H74O6,627,626.5485401,14.4,71.1,532,0,0,6,39,44,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHONIC ACID, [1,2-ETHANEDIYLBIS[NITRILOBIS (METHYLENE)]] TETRAKIS-, POTASS",034274-30-1,169582,tetrapotassium;[2-[bis[[hydroxy(oxido)phosphoryl]methyl]amino]ethyl-[[hydroxy(oxido)phosphoryl]methyl]amino]methyl-hydroxyphosphinate,C(CN(CP(=O)(O)[O-])CP(=O)(O)[O-])N(CP(=O)(O)[O-])CP(=O)(O)[O-].[K+].[K+].[K+].[K+],"InChI=1S/C6H20N2O12P4.4K/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;/q;4*+1/p-4",AUMOSEQHACNXEW-UHFFFAOYSA-J,C6H16K4N2O12P4,588.49,587.8201979,,248,477,0,4,14,11,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ISOHEXADECANOL,036311-34-9,5283265,14-methylpentadecan-1-ol,CC(C)CCCCCCCCCCCCCO,"InChI=1S/C16H34O/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17/h16-17H,3-15H2,1-2H3",CFSSWEQYBLCBLH-UHFFFAOYSA-N,C16H34O,242.44,242.2609657,7,20.2,131,0,1,1,13,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
2-UNDECEN-1-OL,037617-03-1,5365004,(E)-undec-2-en-1-ol,CCCCCCCC/C=C/CO,"InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-10,12H,2-8,11H2,1H3/b10-9+",SKBIQKQBLQHOSU-MDZDMXLPSA-N,C11H22O,170.29,170.1670653,4.1,20.2,97,0,1,1,8,12,,100.00 to 102.00 °C. @ 2.00 mm Hg,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"L-GLUTAMIC ACID, N-(1-OXOOCTADECYL)-, DISODIUM SALT",038079-62-8,94480,disodium;(2S)-2-(octadecanoylamino)pentanedioate,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Na+].[Na+],"InChI=1S/C23H43NO5.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27;;/h20H,2-19H2,1H3,(H,24,25)(H,26,27)(H,28,29);;/q;2*+1/p-2/t20-;;/m0../s1",WODOUQLMOIMKAL-FJSYBICCSA-L,C23H41NNa2O5,457.6,457.278012,,109,428,0,1,5,19,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"L-GLUTAMIC ACID, N-(1-OXOOCTADECYL)-, MONOSODIUM SALT",038517-23-6,23688969,sodium (4S)-5-hydroxy-4-(octadecanoylamino)-5-oxopentanoate,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)O.[Na+],"InChI=1S/C23H43NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27;/h20H,2-19H2,1H3,(H,24,25)(H,26,27)(H,28,29);/q;+1/p-1/t20-;/m0./s1",QKHBMQWPOUUMQZ-BDQAORGHSA-M,C23H42NNaO5,435.6,435.2960677,,107,445,0,2,5,21,30,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"DL-ASPARTIC ACID, N-(3-CARBOXY-1-OXO-3-SULFOPROPYL)-N-OCTADECYL-, TETRASODIUM",038916-42-6,38164,tetrasodium;2-[(3-carboxylato-3-sulfonatopropanoyl)-octadecylamino]butanedioate,CCCCCCCCCCCCCCCCCCN(C(CC(=O)[O-])C(=O)[O-])C(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C26H47NO10S.4Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(21(25(31)32)19-24(29)30)23(28)20-22(26(33)34)38(35,36)37;;;;/h21-22H,2-20H2,1H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36,37);;;;/q;4*+1/p-4",XZPMQCKVOWVETG-UHFFFAOYSA-J,C26H43NNa4O10S,653.6,653.2198449,,206,779,0,0,10,21,42,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, MERCAPTO-, DECYL ESTER",045163-99-3,170755,decyl 2-sulfanylacetate,CCCCCCCCCCOC(=O)CS,"InChI=1S/C12H24O2S/c1-2-3-4-5-6-7-8-9-10-14-12(13)11-15/h15H,2-11H2,1H3",LMDIIDPLWVGXKM-UHFFFAOYSA-N,C12H24O2S,232.38,232.1497012,4.8,27.3,149,0,1,3,11,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"6-OCTENENITRILE, 3,7-DIMETHYL-",051566-62-2,3033030,"3,7-dimethyloct-6-enenitrile",CC(CCC=C(C)C)CC#N,"InChI=1S/C10H17N/c1-9(2)5-4-6-10(3)7-8-11/h5,10H,4,6-7H2,1-3H3",MTDAKBBUYMYKAR-UHFFFAOYSA-N,C10H17N,151.25,151.1360995,3.2,23.8,167,0,0,1,4,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANAMIDE, 3-METHOXY-N,N-DIMETHYL-",053185-52-7,104427,"3-methoxy-N,N-dimethylpropanamide",CN(C)C(=O)CCOC,"InChI=1S/C6H13NO2/c1-7(2)6(8)4-5-9-3/h4-5H2,1-3H3",LBVMWHCOFMFPEG-UHFFFAOYSA-N,C6H13NO2,131.17,131.0946287,-0.5,29.5,91,0,0,2,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,1,0
"POLY[OXY(METHYL-1,2-ETHANEDIYL)], .ALPHA.-TETRADECYL-.OMEGA.-HYDROXY-",063793-60-2,19370005,1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol,CCCCCCCCCCCCCCOCC(C)OCC(C)OCC(C)O,"InChI=1S/C23H48O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-25-19-22(3)27-20-23(4)26-18-21(2)24/h21-24H,5-20H2,1-4H3",JKHBSEMWNFTGPM-UHFFFAOYSA-N,C23H48O4,388.6,388.35526,7.1,47.9,286,0,1,4,21,27,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
".BETA.-ALANINE, N-(2-CARBOXYETHYL)-N-[3-(DECYLOXY)PROPYL]-, MONOSODIUM SALT",064972-19-6,23677319,sodium 3-[2-carboxyethyl(3-decoxypropyl)amino]propanoate,CCCCCCCCCCOCCCN(CCC(=O)O)CCC(=O)[O-].[Na+],"InChI=1S/C19H37NO5.Na/c1-2-3-4-5-6-7-8-9-16-25-17-10-13-20(14-11-18(21)22)15-12-19(23)24;/h2-17H2,1H3,(H,21,22)(H,23,24);/q;+1/p-1",DQINEZCYJSFZBL-UHFFFAOYSA-M,C19H36NNaO5,381.5,381.2491175,,89.9,342,0,1,6,19,26,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-BUTENEDIOIC ACID (Z)-, MONO[2-[2-[2-(DODECYLOXY)ETHOXY]ETHOXY]ETHYL] ESTER",066104-67-4,6437561,(Z)-4-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]-4-oxobut-2-enoic acid,CCCCCCCCCCCCOCCOCCOCCOC(=O)/C=C\C(=O)O,"InChI=1S/C22H40O7/c1-2-3-4-5-6-7-8-9-10-11-14-26-15-16-27-17-18-28-19-20-29-22(25)13-12-21(23)24/h12-13H,2-11,14-20H2,1H3,(H,23,24)/b13-12-",LSDNCMFQVGKKGP-SEYXRHQNSA-N,C22H40O7,416.5,416.2774036,5,91.3,410,0,1,7,23,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-PROPANOL, 3-[[3-(BORONOOXY)PROPYL]AMINO]-",067905-33-3,106038,3-(3-hydroxypropylamino)propoxyboronic acid,B(O)(O)OCCCNCCCO,"InChI=1S/C6H16BNO4/c9-5-1-3-8-4-2-6-12-7(10)11/h8-11H,1-6H2",MHESBQZGKGCYJF-UHFFFAOYSA-N,C6H16BNO4,177.01,177.1172382,,82,93,0,4,5,8,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"9-OCTADECENOIC ACID (Z)-, COMPD. WITH 2-AMINO-2-METHYL-1-PROPANOL (1:1)",068140-41-0,6441126,2-amino-2-methylpropan-1-ol;(Z)-octadec-9-enoic acid,CCCCCCCC/C=C\CCCCCCCC(=O)O.CC(C)(CO)N,"InChI=1S/C18H34O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4(2,5)3-6/h9-10H,2-8,11-17H2,1H3,(H,19,20);6H,3,5H2,1-2H3/b10-9-;",WCDXNKJYIXSLTE-KVVVOXFISA-N,C22H45NO3,371.6,371.3399443,,83.6,276,0,3,4,16,26,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHONIC ACID, [[[1,2-ETHANEDIBYBIS[NITRILOBIS (METHYLENE)]] TETRAKIS-, TETR",068188-96-5,138395869,hexadecapotassium;[2-[bis[[hydroxy(oxido)phosphoryl]methyl]amino]ethyl-[[hydroxy(oxido)phosphoryl]methyl]amino]methyl-hydroxyphosphinate,C(CN(CP(=O)(O)[O-])CP(=O)(O)[O-])N(CP(=O)(O)[O-])CP(=O)(O)[O-].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+],"InChI=1S/C6H20N2O12P4.16K/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;;;;;;;;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;;;;;;;;;;;;/q;16*+1/p-4",ZMAZWQRZXRYURG-UHFFFAOYSA-J,C6H16K16N2O12P4+12,1057.67,1057.382795,,248,477,12,4,14,11,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANOL, 2-(2-ETHOXYETHOXY)-, PHOSPHATE, SODIUM SALT",073018-27-6,44153818,disodium;2-(2-ethoxyethoxy)ethyl phosphate,CCOCCOCCOP(=O)([O-])[O-].[Na+].[Na+],"InChI=1S/C6H15O6P.2Na/c1-2-10-3-4-11-5-6-12-13(7,8)9;;/h2-6H2,1H3,(H2,7,8,9);;/q;2*+1/p-2",RJBWWQBWYZYAET-UHFFFAOYSA-L,C6H13Na2O6P,258.12,258.0245137,,90.9,144,0,0,6,7,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"TITANATE(3-), [P,P-BIS(2-ETHYLHEXYL) DIPHOSPHATO(2-)-O']BIS[P,P-BIS(2-ETHYLHE",103432-54-8,138394477,"tris(bis(2-ethylhexoxy)phosphoryl phosphate);2,2-bis(prop-2-enoxymethyl)butan-1-olate;hydron;titanium(4+)",[H+].[H+].[H+].[H+].[H+].CCCCC(CC)COP(=O)(OCC(CC)CCCC)OP(=O)([O-])[O-].CCCCC(CC)COP(=O)(OCC(CC)CCCC)OP(=O)([O-])[O-].CCCCC(CC)COP(=O)(OCC(CC)CCCC)OP(=O)([O-])[O-].CCC(C[O-])(COCC=C)COCC=C.[Ti+4],"InChI=1S/3C16H36O7P2.C12H21O3.Ti/c3*1-5-9-11-15(7-3)13-21-25(20,23-24(17,18)19)22-14-16(8-4)12-10-6-2;1-4-7-14-10-12(6-3,9-13)11-15-8-5-2;/h3*15-16H,5-14H2,1-4H3,(H2,17,18,19);4-5H,1-2,6-11H2,3H3;/q;;;-1;+4/p-1",FIUYAWDAEJWJES-UHFFFAOYSA-M,C60H128O24P6Ti+2,1467.4,1466.670068,,365,1730,2,5,24,59,91,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
OXYBIS(METHOXYPROPANE),111109-77-4,86302,1-methoxy-3-(3-methoxypropoxy)propane,COCCCOCCCOC,"InChI=1S/C8H18O3/c1-9-5-3-7-11-8-4-6-10-2/h3-8H2,1-2H3",KWDCKLXGUZOEGM-UHFFFAOYSA-N,C8H18O3,162.23,162.1255944,0.5,27.7,58,0,0,3,8,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
PYROPHYLLITE,012269-78-2,155087,aluminum tris(dihydroxy(oxo)silane),O[Si](=O)O.O[Si](=O)O.O[Si](=O)O.[Al+3],InChI=1S/Al.3H2O3Si/c;3*1-4(2)3/h;3*1-2H/q+3;;;,COMOYPSTCCFOIE-UHFFFAOYSA-N,AlH6O9Si3+3,261.28,260.9134998,,173,26,3,6,9,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
DISODIUM HYDROXYLAMINE-DI-ETHYLSULPHONATE,133986-51-3,21916040,disodium;2-[hydroxy(2-sulfonatoethyl)amino]ethanesulfonate,C(CS(=O)(=O)[O-])N(CCS(=O)(=O)[O-])O.[Na+].[Na+],"InChI=1S/C4H11NO7S2.2Na/c6-5(1-3-13(7,8)9)2-4-14(10,11)12;;/h6H,1-4H2,(H,7,8,9)(H,10,11,12);;/q;2*+1/p-2",JIJSGQYJSRWCLG-UHFFFAOYSA-L,C4H9NNa2O7S2,293.2,292.9615825,,155,283,0,1,8,4,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-(TRIHYDROXYSILYL)PROPYL METHYLPHOSPHONATE, MONOSODIUM SALT",084962-98-1,4385787,sodium methyl(3-trihydroxysilylpropoxy)phosphinate,CP(=O)([O-])OCCC[Si](O)(O)O.[Na+],"InChI=1S/C4H13O6PSi.Na/c1-11(5,6)10-3-2-4-12(7,8)9;/h7-9H,2-4H2,1H3,(H,5,6);/q;+1/p-1",MKAWPVONNWUREJ-UHFFFAOYSA-M,C4H12NaO6PSi,238.18,238.0038459,,110,182,0,3,6,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ETHYL BUTYLACETYLAMINOPROPIONATE,052304-36-6,104150,ethyl 3-[acetyl(butyl)amino]propanoate,CCCCN(CCC(=O)OCC)C(=O)C,"InChI=1S/C11H21NO3/c1-4-6-8-12(10(3)13)9-7-11(14)15-5-2/h4-9H2,1-3H3",VZRKEAFHFMSHCD-UHFFFAOYSA-N,C11H21NO3,215.29,215.1521435,1.2,46.6,204,0,0,3,8,15,,BP: 108-110 °C at 0.2 mm Hg; 126-127 °C at 0.5 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,2',2""-NITRILOTRIETHANOL CITRATE",029340-81-6,161628,"2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid",C(CO)N(CCO)CCO.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,"InChI=1S/C6H15NO3.C6H8O7/c8-4-1-7(2-5-9)3-6-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-10H,1-6H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",QHXBZNOJMIQGER-UHFFFAOYSA-N,C12H23NO10,341.31,341.1321959,,196,283,0,7,11,11,23,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
BUTYL HYDROXYBUTYRATE,053605-94-0,103808,butyl 3-hydroxybutanoate,CCCCOC(=O)CC(C)O,"InChI=1S/C8H16O3/c1-3-4-5-11-8(10)6-7(2)9/h7,9H,3-6H2,1-2H3",LHDWRKCOQQHAMP-UHFFFAOYSA-N,C8H16O3,160.21,160.1099444,1,46.5,112,0,1,3,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-HEPTANONE, 6-METHYL-",000928-68-7,13572,6-methylheptan-2-one,CC(C)CCCC(=O)C,"InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h7H,4-6H2,1-3H3",DPLGXGDPPMLJHN-UHFFFAOYSA-N,C8H16O,128.21,128.1201151,2.2,17.1,84,0,0,1,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
N-HEPTYL ALCOHOL,000111-70-6,8129,heptan-1-ol,CCCCCCCO,"InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3",BBMCTIGTTCKYKF-UHFFFAOYSA-N,C7H16O,116.2,116.1201151,2.7,20.2,35,0,1,1,5,8,"170 °F (USCG, 1999)","349 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ETHYL ACETOACETATE,000141-97-9,8868,ethyl 3-oxobutanoate,CCOC(=O)CC(=O)C,"InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3",XYIBRDXRRQCHLP-UHFFFAOYSA-N,C6H10O3,130.14,130.0629942,0.2,43.4,117,0,0,3,4,9,"135 °F (USCG, 1999)","363 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
SUCCINIC ACID DIMETHYL ESTER,000106-65-0,7820,dimethyl butanedioate,COC(=O)CCC(=O)OC,"InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3",MUXOBHXGJLMRAB-UHFFFAOYSA-N,C6H10O4,146.14,146.0579088,0.4,52.6,114,0,0,4,5,10,"185 °F (NTP, 1992)","385.5 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,6-DIMETHYL-4-HEPTANOL",000108-82-7,7957,"2,6-dimethylheptan-4-ol",CC(C)CC(CC(C)C)O,"InChI=1S/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3",HXQPUEQDBSPXTE-UHFFFAOYSA-N,C9H20O,144.25,144.1514153,3,20.2,66,0,1,1,4,10,"165 °F (USCG, 1999)","352 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
"1,1,2,2-TETRABROMOETHANE",000079-27-6,6588,"1,1,2,2-tetrabromoethane",C(C(Br)Br)(Br)Br,InChI=1S/C2H2Br4/c3-1(4)2(5)6/h1-2H,QXSZNDIIPUOQMB-UHFFFAOYSA-N,C2H2Br4,345.65,345.6849,3.6,0,26,0,0,0,1,6,"635 °F (NFPA, 2010)","471 °F at 760 mmHg (NTP, 1992)",0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"HEXANOIC ACID, 2-ETHYL-, MANGANESE(2+) SALT",013434-24-7,114521,bis(2-ethylhexanoate);manganese(2+),CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Mn+2],"InChI=1S/2C8H16O2.Mn/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",FHRAKXJVEOBCBQ-UHFFFAOYSA-L,C16H30MnO4,341.34,341.152452,,80.3,93,0,0,4,8,21,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,0,0,1,0
CALCIUM CHLORIDE,010043-52-4,5284359,calcium dichloride,[Cl-].[Cl-].[Ca+2],InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2,UXVMQQNJUSDDNG-UHFFFAOYSA-L,CaCl2,110.98,109.9002962,,0,0,0,0,2,0,3,,1935 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3,3'-OXYDIPROPIONITRILE",001656-48-0,15452,3-(2-cyanoethoxy)propanenitrile,C(COCCC#N)C#N,"InChI=1S/C6H8N2O/c7-3-1-5-9-6-2-4-8/h1-2,5-6H2",BCGCCTGNWPKXJL-UHFFFAOYSA-N,C6H8N2O,124.14,124.0636629,-0.5,56.8,129,0,0,3,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ETHYLENEDIAMINE TETRAACETIC ACID,000060-00-4,6049,2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid,C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O,"InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)",KCXVZYZYPLLWCC-UHFFFAOYSA-N,C10H16N2O8,292.24,292.0906655,-5.9,156,315,0,4,10,11,20,"Flash point is> 100 °C,",,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"CARBONIC ACID DISODIUM SALT, DECAHYDRATE",006132-02-1,151402,disodium;carbonate;decahydrate,C(=O)([O-])[O-].O.O.O.O.O.O.O.O.O.O.[Na+].[Na+],"InChI=1S/CH2O3.2Na.10H2O/c2-1(3)4;;;;;;;;;;;;/h(H2,2,3,4);;;10*1H2/q;2*+1;;;;;;;;;;/p-2",XYQRXRFVKUPBQN-UHFFFAOYSA-L,CH20Na2O13,286.14,286.0699293,,73.2,18,0,10,13,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BORIC ACID, SODIUM SALT",001333-73-9,159383,trisodium;borate,B([O-])([O-])[O-].[Na+].[Na+].[Na+],InChI=1S/BO3.3Na/c2-1(3)4;;;/q-3;3*+1,BSVBQGMMJUBVOD-UHFFFAOYSA-N,BNa3O3,127.78,127.9633569,,69.2,8,0,0,3,0,7,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
TRIETHANOLAMINE,000102-71-6,7618,2-[bis(2-hydroxyethyl)amino]ethanol,C(CO)N(CCO)CCO,"InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2",GSEJCLTVZPLZKY-UHFFFAOYSA-N,C6H15NO3,149.19,149.1051933,-1,63.9,55,0,3,4,6,10,"365 °F (NTP, 1992)","635.7 °F at 760 mmHg (Decomposes) (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
TRIISOPROPANOLAMINE,000122-20-3,24730,1-[bis(2-hydroxypropyl)amino]propan-2-ol,CC(CN(CC(C)O)CC(C)O)O,"InChI=1S/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3",SLINHMUFWFWBMU-UHFFFAOYSA-N,C9H21NO3,191.27,191.1521435,-0.5,63.9,108,0,3,4,6,13,"320 °F (NTP, 1992)","581 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM SORBATE,000590-00-1,23676745,"potassium (2E,4E)-hexa-2,4-dienoate",C/C=C/C=C/C(=O)[O-].[K+],"InChI=1S/C6H8O2.K/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/q;+1/p-1/b3-2+,5-4+;",CHHHXKFHOYLYRE-STWYSWDKSA-M,C6H7KO2,150.22,150.008311,,40.1,127,0,0,2,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ARSENIC DISULFIDE,056320-22-0,15241817,,S[As]=S,"InChI=1S/AsHS2/c2-1-3/h(H,2,3)",SLXSULZDDPRFBJ-UHFFFAOYSA-N,AsHS2,140.06,139.873562,,33.1,10,0,1,2,0,3,,,0,0,0,0,0,1,0,1,0,0,0,0,0,1,0,0,0,0,1,1
LEAD(II) ARSENITE,010031-13-7,197119,lead(2+);oxoarsinite,[O-][As]=O.[O-][As]=O.[Pb+2],"InChI=1S/2AsHO2.Pb/c2*2-1-3;/h2*(H,2,3);/q;;+2/p-2",JFOKPVUWYKONLQ-UHFFFAOYSA-L,As2O4Pb,421,421.7995,,80.3,7,0,0,4,0,7,,,0,0,0,0,0,1,0,1,0,0,0,0,0,1,0,0,0,0,1,1
RHODIUM ACETATE,042204-14-8,168478,rhodium(3+) triacetate,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Rh+3],"InChI=1S/3C2H4O2.Rh/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",SVOOVMQUISJERI-UHFFFAOYSA-K,C6H9O6Rh,280.04,279.94541,,120,25,0,0,6,0,13,,,1,0,0,0,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0
SODIUM CARBONATE,000497-19-8,10340,disodium;carbonate,C(=O)([O-])[O-].[Na+].[Na+],"InChI=1S/CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",CDBYLPFSWZWCQE-UHFFFAOYSA-L,CNa2O3,105.988,105.9642824,,63.2,18,0,0,3,0,6,,Decomposes on heating by CO2 loss,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
DIISOPROPANOLAMINE,000110-97-4,8086,1-(2-hydroxypropylamino)propan-2-ol,CC(CNCC(C)O)O,"InChI=1S/C6H15NO2/c1-5(8)3-7-4-6(2)9/h5-9H,3-4H2,1-2H3",LVTYICIALWPMFW-UHFFFAOYSA-N,C6H15NO2,133.19,133.1102787,-0.8,52.5,60,0,3,3,4,9,"259 °F (NTP, 1992)","480.2 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ADIPIC ACID,000124-04-9,196,hexanedioic acid,C(CCC(=O)O)CC(=O)O,"InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)",WNLRTRBMVRJNCN-UHFFFAOYSA-N,C6H10O4,146.14,146.0579088,0.1,74.6,114,0,2,4,5,10,"376 °F Combustible solid (USCG, 1999)",337.5 °C at 760 mm Hg: 265 °C at 100 mm Hg: 240.5 °C at 40 mm Hg: 222 °Cat 20 mm Hg: 205.5 °C at 10 mm Hg; 191 °C at 5 mm Hg; 159.5 °C at 1.0 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ARSENIC ACID (H3ASO4), COPPER(2+) SALT (2:3)",007778-41-8,26065,tricopper diarsorate,[O-][As](=O)([O-])[O-].[O-][As](=O)([O-])[O-].[Cu+2].[Cu+2].[Cu+2],"InChI=1S/2AsH3O4.3Cu/c2*2-1(3,4)5;;;/h2*(H3,2,3,4,5);;;/q;;3*+2/p-6",RKYSWCFUYJGIQA-UHFFFAOYSA-H,As2Cu3O8,468.48,468.58949,,173,36,0,0,8,0,13,,,0,0,0,0,0,1,0,1,0,0,0,0,0,1,0,0,0,0,1,1
N-METHYLDIETHANOLAMINE,000105-59-9,7767,2-[2-hydroxyethyl(methyl)amino]ethanol,CN(CCO)CCO,"InChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3",CRVGTESFCCXCTH-UHFFFAOYSA-N,C5H13NO2,119.16,119.0946287,-1.1,43.7,43,0,2,3,4,8,"260 °F (NTP, 1992)","477 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
LAURYL ALCOHOL,000112-53-8,8193,dodecan-1-ol,CCCCCCCCCCCCO,"InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3",LQZZUXJYWNFBMV-UHFFFAOYSA-N,C12H26O,186.33,186.1983654,5.1,20.2,81,0,1,1,10,13,"260 °F (USCG, 1999)","498 °F at 760 mmHg (USCG, 1999)",1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"(S)-HYDROPRENE: ETHYL (2E,4E,7S)-3,7,11-TRIMETHYL-2,4-DODECADIENOATE",065733-18-8,5282198,"ethyl (2E,4E,7S)-3,7,11-trimethyldodeca-2,4-dienoate",CCOC(=O)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)C,"InChI=1S/C17H30O2/c1-6-19-17(18)13-16(5)12-8-11-15(4)10-7-9-14(2)3/h8,12-15H,6-7,9-11H2,1-5H3/b12-8+,16-13+/t15-/m0/s1",FYQGBXGJFWXIPP-OJROSNHMSA-N,C17H30O2,266.4,266.2245802,6.2,26.3,300,0,0,2,10,19,> 100 °C (> 212 °F),282.3 °C at atmospheric pressure (97.2 kPa),1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
THIODIETHYLENE GLYCOL,000111-48-8,5447,2-(2-hydroxyethylsulfanyl)ethanol,C(CSCCO)O,"InChI=1S/C4H10O2S/c5-1-3-7-4-2-6/h5-6H,1-4H2",YODZTKMDCQEPHD-UHFFFAOYSA-N,C4H10O2S,122.19,122.0401507,-0.6,65.8,28,0,2,3,4,7,113 °C (235 °F) - closed cup,282 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM METABORATE TETRAHYDRATE,010555-76-7,23694267,sodium;oxido(oxo)borane;tetrahydrate,B(=O)[O-].O.O.O.O.[Na+],InChI=1S/BO2.Na.4H2O/c2-1-3;;;;;/h;;4*1H2/q-1;+1;;;;,JAKYJVJWXKRTSJ-UHFFFAOYSA-N,BH8NaO6,137.86,138.0311624,,44.1,13,0,4,6,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
"BORIC ACID (HBO2), POTASSIUM SALT",013709-94-9,123325,potassium oxido(oxo)borane,B(=O)[O-].[K+],InChI=1S/BO2.K/c2-1-3;/q-1;+1,JVUYWILPYBCNNG-UHFFFAOYSA-N,BKO2,81.91,81.9628409,,40.1,13,0,0,2,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
FERRIC OXIDE,001309-37-1,518696,oxo(oxoferriooxy)iron,O=[Fe]O[Fe]=O,InChI=1S/2Fe.3O,JEIPFZHSYJVQDO-UHFFFAOYSA-N,Fe2O3,159.69,159.854615,,43.4,34,0,0,3,0,5,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
TIN METAL,007440-31-5,5352426,tin,[Sn],InChI=1S/Sn,ATJFFYVFTNAWJD-UHFFFAOYSA-N,Sn,118.71,119.902203,,0,0,0,0,0,0,1,,"4545 °F at 760 mmHg (NIOSH, 2024)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
FUMARIC ACID,000110-17-8,444972,(E)-but-2-enedioic acid,C(=C/C(=O)O)\C(=O)O,"InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+",VZCYOOQTPOCHFL-OWOJBTEDSA-N,C4H4O4,116.07,116.0109586,-0.3,74.6,119,0,2,4,2,8,273 °C (open cup),"329 °F at 1.7 mmHg ; sublimes (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ZINC TELLURIDE,001315-11-3,3362486,tellanylidenezinc,[Zn]=[Te],InChI=1S/Te.Zn,NSRBDSZKIKAZHT-UHFFFAOYSA-N,TeZn,193,193.835365,,0,2,0,0,0,0,2,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MERCURY METAL,007439-97-6,23931,mercury,[Hg],InChI=1S/Hg,QSHDDOUJBYECFT-UHFFFAOYSA-N,Hg,200.59,201.970644,,0,0,0,0,0,0,1,,"675 °F at 760 mmHg (USCG, 1999)",1,0,1,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"STANNANE, DICHLORODIOCTYL-",003542-36-7,77080,dichloro(dioctyl)stannane,CCCCCCCC[Sn](CCCCCCCC)(Cl)Cl,"InChI=1S/2C8H17.2ClH.Sn/c2*1-3-5-7-8-6-4-2;;;/h2*1,3-8H2,2H3;2*1H;/q;;;;+2/p-2",SBOSGIJGEHWBKV-UHFFFAOYSA-L,C16H34Cl2Sn,416.1,416.105959,,0,166,0,0,0,14,19,,,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
COBALT LITHIUM MANGANESE NICKEL OXIDE (POWDER),346417-97-8,134693645,lithium;cobalt;manganese;oxonickel,[Li+].O=[Ni].[Mn].[Co],InChI=1S/Co.Li.Mn.Ni.O/q;+1;;;,JITOJRMKSODIMK-UHFFFAOYSA-N,CoLiMnNiO+,195.5,194.817496,,17.1,2,1,0,1,0,5,,,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
2-(2-ETHOXYETHOXY)ETHAN(OL-D),037421-08-2,2723953,1-deuteriooxy-2-(2-ethoxyethoxy)ethane,[2H]OCCOCCOCC,"InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3/i7D",XXJWXESWEXIICW-WHRKIXHSSA-N,C6H14O3,135.18,135.1005711,-0.5,38.7,47,0,1,3,6,9,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SULFURYL FLUORIDE,002699-79-8,17607,sulfuryl difluoride,O=S(=O)(F)F,"InChI=1S/F2O2S/c1-5(2,3)4",OBTWBSRJZRCYQV-UHFFFAOYSA-N,F2O2S,102.06,101.9587067,0.7,42.5,85,0,0,4,0,5,,"-68 °F at 760 mmHg (NIOSH, 2024)",1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"DIPHOSPHORIC ACID, LEAD(2+) SALT (1:2)",013453-66-2,61611,bis(lead(2+));phosphonato phosphate,[O-]P(=O)([O-])OP(=O)([O-])[O-].[Pb+2].[Pb+2],"InChI=1S/H4O7P2.2Pb/c1-8(2,3)7-9(4,5)6;;/h(H2,1,2,3)(H2,4,5,6);;/q;2*+2/p-4",CDZXKKXSZAMHFU-UHFFFAOYSA-J,O7P2Pb2,590,589.86523,,136,124,0,0,7,0,11,,,0,0,1,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
TELLURIC ACID,007803-68-1,62686,,O[Te](O)(O)(O)(O)O,"InChI=1S/H6O6Te/c1-7(2,3,4,5)6/h1-6H",FXADMRZICBQPQY-UHFFFAOYSA-N,H6O6Te,229.6,231.9226607,,121,62,0,6,6,0,7,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIBROMOMETHANE-D2,022117-86-8,11137644,dibromo(dideuterio)methane,[2H]C([2H])(Br)Br,InChI=1S/CH2Br2/c2-1-3/h1H2/i1D2,FJBFPHVGVWTDIP-DICFDUPASA-N,CH2Br2,175.85,175.86283,1.8,0,2,0,0,0,0,3,,,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DIAMMONIUM EDETATE,020824-56-0,13847684,azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid,C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.N.N,"InChI=1S/C10H16N2O8.2H3N/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);2*1H3",KYQODXQIAJFKPH-UHFFFAOYSA-N,C10H22N4O8,326.3,326.1437637,,158,315,0,6,12,11,22,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"ETHANOL, 2-AMINO-, HYDROBROMIDE",023382-12-9,90080,2-aminoethanol;hydrobromide,C(CO)N.Br,"InChI=1S/C2H7NO.BrH/c3-1-2-4;/h4H,1-3H2;1H",IKJAVHKRVPYFOD-UHFFFAOYSA-N,C2H8BrNO,142,140.97893,,46.3,10,0,3,2,1,5,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"NEONONANOIC ACID, ETHENYL ESTER",054423-67-5,94568,"ethenyl 6,6-dimethylheptanoate",CC(C)(C)CCCCC(=O)OC=C,"InChI=1S/C11H20O2/c1-5-13-10(12)8-6-7-9-11(2,3)4/h5H,1,6-9H2,2-4H3",WBZPMFHFKXZDRZ-UHFFFAOYSA-N,C11H20O2,184.27,184.1463299,3.7,26.3,165,0,0,2,7,13,,,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
HEXAFLUOROPROPENE,000116-15-4,8302,"1,1,2,3,3,3-hexafluoroprop-1-ene",C(=C(F)F)(C(F)(F)F)F,"InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9",HCDGVLDPFQMKDK-UHFFFAOYSA-N,C3F6,150.02,149.990419,1.9,0,126,0,0,6,0,9,,-29.6 °C,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"DIMETHYLDITHIOCARBAMIC ACID, SODIUM SALT HYDRATE",000128-04-1,560256,"sodium N,N-dimethylcarbamodithioate",CN(C)C(=S)[S-].[Na+],"InChI=1S/C3H7NS2.Na/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1",VMSRVIHUFHQIAL-UHFFFAOYSA-M,C3H6NNaS2,143.21,142.9839358,,36.3,64,0,0,2,0,7,,,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DIETHYLENETRIAMINEPENTAACETIC ACID PENTASODIUM SALT,000140-01-2,8779,pentasodium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate,C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C14H23N3O10.5Na/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;;/q;5*+1/p-5",LQPLDXQVILYOOL-UHFFFAOYSA-I,C14H18N3Na5O10,503.26,503.0480652,,210,454,0,0,13,11,32,,,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
MOLYBDENUM(IV) SULFIDE,001317-33-5,14823,bis(sulfanylidene)molybdenum,S=[Mo]=S,InChI=1S/Mo.2S,CWQXQMHSOZUFJS-UHFFFAOYSA-N,MoS2,160.1,161.849546,,64.2,18,0,0,2,0,3,,"450 °C, sublimes",0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-METHOX-NONAISOFLUOROBUTANE [2-(DIFLUOROMETHOXYMETHYL)-1,1,1,2,3,3,3-HEPTAFLUORO-PROPANE)",163702-08-7,4156734,"2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane",COC(C(C(F)(F)F)(C(F)(F)F)F)(F)F,"InChI=1S/C5H3F9O/c1-15-5(13,14)2(6,3(7,8)9)4(10,11)12/h1H3",DJXNLVJQMJNEMN-UHFFFAOYSA-N,C5H3F9O,250.06,250.0040182,3.3,9.2,212,0,0,10,2,15,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
HEMICELLULASE,009025-56-3,171706620,"2,3-bis[[(E)-12-hydroxynonadec-9-enoyl]oxy]propyl (E)-12-hydroxynonadec-9-enoate",CCCCCCCC(O)C/C=C/CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C/CC(O)CCCCCCC)COC(=O)CCCCCCC/C=C/CC(O)CCCCCCC,"InChI=1S/C60H110O9/c1-4-7-10-25-34-43-54(61)46-37-28-19-13-16-22-31-40-49-58(64)67-52-57(69-60(66)51-42-33-24-18-15-21-30-39-48-56(63)45-36-27-12-9-6-3)53-68-59(65)50-41-32-23-17-14-20-29-38-47-55(62)44-35-26-11-8-5-2/h28-30,37-39,54-57,61-63H,4-27,31-36,40-53H2,1-3H3/b37-28+,38-29+,39-30+",HEIVHBXVVHLPSK-OTDRRXFESA-N,C60H110O9,975.5,974.8149851,19.4,140,1150,0,3,9,56,69,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
GLYCEROL KINASE (PHOSPHORYLATING),009030-66-4,168009910,"disodium;dimethyl 2-(19-hydroxyicosa-5,14-dienoylamino)butanedioate;2-(19-hydroxyicosa-5,14-dienoylamino)butanedioate",CC(CCCC=CCCCCCCCC=CCCCC(=O)NC(CC(=O)[O-])C(=O)[O-])O.CC(CCCC=CCCCCCCCC=CCCCC(=O)NC(CC(=O)OC)C(=O)OC)O.[Na+].[Na+],"InChI=1S/C26H45NO6.C24H41NO6.2Na/c1-22(28)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-24(29)27-23(26(31)33-3)21-25(30)32-2;1-20(26)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-22(27)25-21(24(30)31)19-23(28)29;;/h11-14,22-23,28H,4-10,15-21H2,1-3H3,(H,27,29);9-12,20-21,26H,2-8,13-19H2,1H3,(H,25,27)(H,28,29)(H,30,31);;/q;;2*+1/p-2",HPVCEKVBRPBYCK-UHFFFAOYSA-L,C50H84N2Na2O12,951.2,950.5819647,,232,1130,0,4,12,40,66,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
LUCIFERASE,009014-00-0,160315322,molecular hydrogen,[HH].[HH].[HH].[HH].[HH].[HH].[HH],InChI=1S/7H2/h7*1H,PUUAYGFHOHGGPX-UHFFFAOYSA-N,H14,14.11,14.10955045,,0,0,0,0,0,0,0,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"OXIDASE, ALCOHOL",009073-63-6,73555276,2-aminoacetic acid;butane,CCCC.CCCC.C(C(=O)O)N,"InChI=1S/2C4H10.C2H5NO2/c2*1-3-4-2;3-1-2(4)5/h2*3-4H2,1-2H3;1,3H2,(H,4,5)",LJCNDNBULVLKSG-UHFFFAOYSA-N,C10H25NO2,191.31,191.188529,,63.3,44,0,2,3,3,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
POTASSIUM LAURYL SULFATE,004706-78-9,23669623,potassium dodecyl sulfate,CCCCCCCCCCCCOS(=O)(=O)[O-].[K+],"InChI=1S/C12H26O4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1",ONQDVAFWWYYXHM-UHFFFAOYSA-M,C12H25KO4S,304.49,304.1110619,,74.8,249,0,0,4,12,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
ZIRCONIUM OXYCHLORIDE,007699-43-6,173000778,oxozirconium(2+) dichloride,O=[Zr+2].[Cl-].[Cl-],InChI=1S/2ClH.O.Zr/h2*1H;;/q;;;+2/p-2,IPCAPQRVQMIMAN-UHFFFAOYSA-L,Cl2OZr,178.12,175.837319,,17.1,2,0,0,3,0,4,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1
"6,11-DIOXA-5,12-DISTANNAHEXADECANE, 8,9-DIBROMO-5,5,12,12-TETRABUTYL-7,10-DIOX",031732-71-5,16684305,"bis(tributylstannyl) (2R,3S)-2,3-dibromobutanedioate",CCCC[Sn](CCCC)(CCCC)OC(=O)[C@@H]([C@@H](C(=O)O[Sn](CCCC)(CCCC)CCCC)Br)Br,"InChI=1S/C4H4Br2O4.6C4H9.2Sn/c5-1(3(7)8)2(6)4(9)10;6*1-3-4-2;;/h1-2H,(H,7,8)(H,9,10);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2/t1-,2+;;;;;;;;",JOMPHQTZQORMCX-JOYJRDNUSA-L,C28H56Br2O4Sn2,854,854.0563,,52.6,498,0,0,4,25,36,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1
LANTHANUM PHOSPHATE HYDRATE,014913-14-5,159694,lanthanum(3+) phosphate,[O-]P(=O)([O-])[O-].[La+3],"InChI=1S/La.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3",LQFNMFDUAPEJRY-UHFFFAOYSA-K,LaO4P,233.877,233.859783,,86.3,36,0,0,4,0,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
NIOBIUM SILICIDE,012060-34-3,13848090,,[Si].[Si].[Si].[Nb].[Nb].[Nb].[Nb].[Nb],InChI=1S/5Nb.3Si,YSJRXBWBYGDQAI-UHFFFAOYSA-N,Nb5Si3,548.79,548.46265,,0,0,0,0,0,0,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
TUNGSTEN OXIDE (WO2),012036-22-5,82850,dioxotungsten,O=[W]=O,InChI=1S/2O.W,DZKDPOPGYFUOGI-UHFFFAOYSA-N,O2W,215.84,215.940762,,34.1,18,0,0,2,0,3,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1
"5,8,11,13,16,19-HEXAOXATRICOSANE",000143-29-3,8928,1-[2-[2-[2-(2-butoxyethoxy)ethoxymethoxy]ethoxy]ethoxy]butane,CCCCOCCOCCOCOCCOCCOCCCC,"InChI=1S/C17H36O6/c1-3-5-7-18-9-11-20-13-15-22-17-23-16-14-21-12-10-19-8-6-4-2/h3-17H2,1-2H3",DKWHHTWSTXZKDW-UHFFFAOYSA-N,C17H36O6,336.5,336.2511889,1.6,55.4,184,0,0,6,20,23,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1
"SILICIC ACID, ALUMINUM MAGNESIUM SALT",001327-43-1,3084116,aluminum;magnesium;silicate,[O-][Si]([O-])([O-])[O-].[Mg+2].[Al+3],"InChI=1S/Al.Mg.O4Si/c;;1-5(2,3)4/q+3;+2;-4",WMGSQTMJHBYJMQ-UHFFFAOYSA-N,AlMgO4Si+,143.37,142.9231651,,92.2,19,1,0,4,0,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
TUNGSTEN ZINC OXIDE (WZNO4),013597-56-3,166861,zinc;tetrakis(oxygen(2-));tungsten,[O-2].[O-2].[O-2].[O-2].[Zn+2].[W],InChI=1S/4O.W.Zn/q4*-2;;+2,IGKCQWHBCHMDFW-UHFFFAOYSA-N,O4WZn-6,313.2,311.85973,,4,0,-6,0,4,0,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
NEPHELINE SYENITE,037244-96-5,90471822,potassium;sodium;bis(oxido-oxo-oxoalumanyloxysilane),[O-][Si](=O)O[Al]=O.[O-][Si](=O)O[Al]=O.[Na+].[K+],InChI=1S/2Al.K.Na.2O3Si.2O/c;;;;2*1-4(2)3;;/q4*+1;2*-2;;,MIIFSAFUFQUZOI-UHFFFAOYSA-N,Al2KNaO8Si2,300.22,299.829723,,133,62,0,0,8,0,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"ZEOLITES, NAA",068989-22-0,146019320,dodecaaluminum;dodecasodium;(oxygen(2-));dodecakis(silicon(4+));heptacosahydrate,O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Si+4].[Si+4].[Si+4].[Si+4].[Si+4].[Si+4].[Si+4].[Si+4].[Si+4].[Si+4].[Si+4].[Si+4],InChI=1S/12Al.12Na.27H2O.26O.12Si/h;;;;;;;;;;;;;;;;;;;;;;;;27*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q12*+3;12*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;26*-2;12*+4,LVZAVNQYRZXWLS-UHFFFAOYSA-N,Al12H54Na12O53Si12+44,1839.1,1837.531837,,53,0,44,27,53,0,89,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
LAURYL METHACRYLATE,000142-90-5,8906,dodecyl 2-methylprop-2-enoate,CCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1S/C16H30O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3/h2,4-14H2,1,3H3",GMSCBRSQMRDRCD-UHFFFAOYSA-N,C16H30O2,254.41,254.2245802,7.2,26.3,221,0,0,2,13,18,"greater than 230 °F (USCG, 1999)",142 °C @ 4 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
ZINC STEARATE,000557-05-1,11178,zinc bis(octadecanoate),CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Zn+2],"InChI=1S/2C18H36O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",XOOUIPVCVHRTMJ-UHFFFAOYSA-L,C36H70O4Zn,632.3,630.456552,,80.3,196,0,0,4,30,41,"530 °F (NIOSH, 2024)",,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1
SODIUM TRICHLOROACETATE,000650-51-1,23681045,"sodium 2,2,2-trichloroacetate",C(=O)(C(Cl)(Cl)Cl)[O-].[Na+],"InChI=1S/C2HCl3O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1",SAQSTQBVENFSKT-UHFFFAOYSA-M,C2Cl3NaO2,185.36,183.886157,,40.1,87,0,0,2,0,8,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1
STANNIC OXIDE,018282-10-5,16747781,bis(oxygen(2-));tin(4+),[O-2].[O-2].[Sn+4],InChI=1S/2O.Sn/q2*-2;+4,DDSPUNTXKUFWTM-UHFFFAOYSA-N,O2Sn,150.71,151.892032,,2,0,0,0,2,0,3,,"Decomposes (NIOSH, 2024)",0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1
3-METHOXY-1-BUTYL ACETATE,004435-53-4,20498,3-methoxybutyl acetate,CC(CCOC(=O)C)OC,"InChI=1S/C7H14O3/c1-6(9-3)4-5-10-7(2)8/h6H,4-5H2,1-3H3",QMYGFTJCQFEDST-UHFFFAOYSA-N,C7H14O3,146.18,146.0942943,0.8,35.5,101,0,0,3,5,10,"170 °F (USCG, 1999)","275 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"2,2-DICHLORO-1,1,1-TRIFLUOROETHANE",000306-83-2,9385,"2,2-dichloro-1,1,1-trifluoroethane",C(C(F)(F)F)(Cl)Cl,"InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H",OHMHBGPWCHTMQE-UHFFFAOYSA-N,C2HCl2F3,152.93,151.9407399,2.7,0,56,0,0,3,0,7,,27.82 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1
HYDROXYUREA,000127-07-1,3657,hydroxyurea,C(=O)(N)NO,"InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)",VSNHCAURESNICA-UHFFFAOYSA-N,CH4N2O2,76.055,76.02727738,-1.8,75.4,42,0,3,2,0,5,,"Decomposes (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0
NITROGEN MUSTARD N-OXIDE,000126-85-2,9335,2-chloro-N-(2-chloroethyl)-N-methylethanamine oxide,C[N+](CCCl)(CCCl)[O-],"InChI=1S/C5H11Cl2NO/c1-8(9,4-2-6)5-3-7/h2-5H2,1H3",AFLXUQUGROGEFA-UHFFFAOYSA-N,C5H11Cl2NO,172.05,171.0217694,0.9,18.1,73,0,0,1,4,9,,,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"3,6-OCTADIENENITRILE, 3,7-DIMETHYL-, (E)-",026509-71-7,6438053,"(3E)-3,7-dimethylocta-3,6-dienenitrile",CC(=CC/C=C(\C)/CC#N)C,"InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5-6H,4,7H2,1-3H3/b10-6+",LNWFHUTYUOYNBG-UXBLZVDNSA-N,C10H15N,149.23,149.1204495,3.1,23.8,208,0,0,1,3,11,,,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0
"N,N'-METHYLENEBISACRYLAMIDE",000110-26-9,8041,N-[(prop-2-enoylamino)methyl]prop-2-enamide,C=CC(=O)NCNC(=O)C=C,"InChI=1S/C7H10N2O2/c1-3-6(10)8-5-9-7(11)4-2/h3-4H,1-2,5H2,(H,8,10)(H,9,11)",ZIUHHBKFKCYYJD-UHFFFAOYSA-N,C7H10N2O2,154.17,154.0742276,0.1,58.2,167,0,2,2,4,11,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
N-METHYLOLACRYLAMIDE,000924-42-5,13543,N-(hydroxymethyl)prop-2-enamide,C=CC(=O)NCO,"InChI=1S/C4H7NO2/c1-2-4(7)5-3-6/h2,6H,1,3H2,(H,5,7)",CNCOEDDPFOAUMB-UHFFFAOYSA-N,C4H7NO2,101.1,101.0476785,-0.5,49.3,79,0,2,2,2,7,,277 °C,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0
"2,2-BIS(BROMOMETHYL)-1,3-PROPANEDIOL",003296-90-0,18692,"2,2-bis(bromomethyl)propane-1,3-diol",C(C(CO)(CBr)CBr)O,"InChI=1S/C5H10Br2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2",CHUGKEQJSLOLHL-UHFFFAOYSA-N,C5H10Br2O2,261.94,261.90271,0.5,40.5,67,0,2,2,4,9,,"455 °F at 760 mmHg (decomposes) (NTP, 1992)",0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
HEXAMETHYLPHOSPHORAMIDE,000680-31-9,12679,N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine,CN(C)P(=O)(N(C)C)N(C)C,"InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3",GNOIPBMMFNIUFM-UHFFFAOYSA-N,C6H18N3OP,179.2,179.1187492,0.3,26.8,139,0,0,4,3,11,"222 °F (NTP, 1992)","451 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"PROPYLPHOSPHONIC ACID, DIMETHYL ESTER",018755-43-6,87779,1-dimethoxyphosphorylpropane,CCCP(=O)(OC)OC,"InChI=1S/C5H13O3P/c1-4-5-9(6,7-2)8-3/h4-5H2,1-3H3",YWDFOLFVOVCBIU-UHFFFAOYSA-N,C5H13O3P,152.13,152.0602313,0.4,35.5,105,0,0,3,4,9,,,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0
1-ETHYL-3-NITRO-1-NITROSOGUANIDINE,004245-77-6,135510215,1-ethyl-3-nitro-1-nitrosoguanidine,CCN(C(=N)N[N+](=O)[O-])N=O,"InChI=1S/C3H7N5O3/c1-2-7(6-9)3(4)5-8(10)11/h2H2,1H3,(H2,4,5)",ZGONASGBWOJHDD-UHFFFAOYSA-N,C3H7N5O3,161.12,161.0548891,0.4,114,174,0,2,5,3,11,,,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"STANNANE, DIBUTYLDIFLUORO-",000563-25-7,11235,dibutyl(difluoro)stannane,CCCC[Sn](CCCC)(F)F,"InChI=1S/2C4H9.2FH.Sn/c2*1-3-4-2;;;/h2*1,3-4H2,2H3;2*1H;/q;;;;+2/p-2",UTLYKVGGKZYRRQ-UHFFFAOYSA-L,C8H18F2Sn,270.94,272.039859,,0,84,0,0,2,6,11,,,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0
LEAD OXIDE (PB2O3),001314-27-8,91617643,,[O-2].[O-2].[O-2].[Pb].[Pb+2],InChI=1S/3O.2Pb/q3*-2;;+2,RFCOXNAJGUDLNN-UHFFFAOYSA-N,O3Pb2-4,460,463.93805,,3,0,-4,0,3,0,5,,,0,0,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"3,8,10-TRIOXA-9-STANNATETRADECA-5,12-DIEN-14-OIC ACID, 9,9-DIBUTYL-4,7,11-TRIO",013173-04-1,16684170,4-O-[dibutyl-[(Z)-4-ethoxy-4-oxobut-2-enoyl]oxystannyl] 1-O-ethyl (Z)-but-2-enedioate,CCCC[Sn](OC(=O)/C=C\C(=O)OCC)(OC(=O)/C=C\C(=O)OCC)CCCC,"InChI=1S/2C6H8O4.2C4H9.Sn/c2*1-2-10-6(9)4-3-5(7)8;2*1-3-4-2;/h2*3-4H,2H2,1H3,(H,7,8);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*4-3-;;;",OSGZEAQLLRZGHT-VGKOASNMSA-L,C20H32O8Sn,519.2,520.111921,,105,545,0,0,8,18,29,,,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"10-OXA-4,6-DITHIA-5-STANNAHEXADECANOIC ACID, 5,5-DIBUTYL-12-ETHYL-9-OXO-, 2-ET",053202-61-2,9576216,2-ethylhexyl 3-[dibutyl-[3-(2-ethylhexoxy)-3-oxopropyl]sulfanylstannyl]sulfanylpropanoate,CCCCC(CC)COC(=O)CCS[Sn](CCCC)(CCCC)SCCC(=O)OCC(CC)CCCC,"InChI=1S/2C11H22O2S.2C4H9.Sn/c2*1-3-5-6-10(4-2)9-13-11(12)7-8-14;2*1-3-4-2;/h2*10,14H,3-9H2,1-2H3;2*1,3-4H2,2H3;/q;;;;+2/p-2",RFPITRAFRHNSRB-UHFFFAOYSA-L,C30H60O4S2Sn,667.6,668.295505,,103,514,0,0,6,28,37,,,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0
CHLOROZOTOCIN,054749-90-5,451706,"1-(2-chloroethyl)-1-nitroso-3-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]urea",C(CCl)N(C(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O)N=O,"InChI=1S/C9H16ClN3O7/c10-1-2-13(12-20)9(19)11-5(3-14)7(17)8(18)6(16)4-15/h3,5-8,15-18H,1-2,4H2,(H,11,19)/t5-,6+,7+,8+/m0/s1",MKQWTWSXVILIKJ-LXGUWJNJSA-N,C9H16ClN3O7,313.69,313.0676776,-2.6,160,333,0,5,8,8,20,,,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1
"5,7,12-TRIOXA-6-STANNATRIACONTA-2,9-DIENOIC ACID, 6,6-DIBUTYL-4,8,11-TRIOXO-,",061813-52-3,16684164,4-O-[dibutyl-[(Z)-4-octadecoxy-4-oxobut-2-enoyl]oxystannyl] 1-O-octadecyl (Z)-but-2-enedioate,CCCCCCCCCCCCCCCCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCCCCCCCCCCCCCCCC)(CCCC)CCCC,"InChI=1S/2C22H40O4.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24;2*1-3-4-2;/h2*18-19H,2-17,20H2,1H3,(H,23,24);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*19-18-;;;",WHWTUCZRUDXTMZ-YPKQJYFLSA-L,C52H96O8Sn,968,968.612723,,105,1010,0,0,8,50,61,,,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"DISTANNOXANE, 1,1,3,3-TETRABUTYL-1,3-BIS[(1-OXO-9-OCTADECENYL)OXY]-, (Z,Z)-",067827-59-2,16684102,[dibutyl-[dibutyl-[(E)-octadec-9-enoyl]oxystannyl]oxystannyl] (E)-octadec-9-enoate,CCCCCCCC/C=C/CCCCCCCC(=O)O[Sn](O[Sn](OC(=O)CCCCCCC/C=C/CCCCCCCC)(CCCC)CCCC)(CCCC)CCCC,"InChI=1S/2C18H34O2.4C4H9.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;4*1-3-4-2;;;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2/b2*10-9+;;;;;;;",KYKSFHCGJXUBOI-JRLUEHJLSA-L,C52H102O5Sn2,1044.8,1044.57654,,61.8,890,0,0,5,48,59,,,1,0,0,0,0,0,1,0,0,0,1,0,0,1,0,0,0,0,1,0
"10-OXA-4,6-DITHIA-5-STANNATRICOSANOIC ACID, 5,5-DIBUTYL-9-OXO-, TRIDECYL ESTER",070942-47-1,9576704,tridecyl 3-[dibutyl-(3-oxo-3-tridecoxypropyl)sulfanylstannyl]sulfanylpropanoate,CCCCCCCCCCCCCOC(=O)CCS[Sn](CCCC)(CCCC)SCCC(=O)OCCCCCCCCCCCCC,"InChI=1S/2C16H32O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-14-18-16(17)13-15-19;2*1-3-4-2;/h2*19H,2-15H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2",NOQSBIQABOFHKR-UHFFFAOYSA-L,C40H80O4S2Sn,807.9,808.452006,,103,623,0,0,6,40,47,,,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"3,5,7,9-TETRAOXA-4,8-DISILA-6-STANNAUNDECANE, 6,6-DIBUTYL-4,4,8,8-TETRAETHOXY-",087735-26-0,16684289,[dibutyl(triethoxysilyloxy)stannyl] triethyl silicate,CCCC[Sn](CCCC)(O[Si](OCC)(OCC)OCC)O[Si](OCC)(OCC)OCC,"InChI=1S/2C6H15O4Si.2C4H9.Sn/c2*1-4-8-11(7,9-5-2)10-6-3;2*1-3-4-2;/h2*4-6H2,1-3H3;2*1,3-4H2,2H3;/q2*-1;;;+2",LVILMLNOLVAYLR-UHFFFAOYSA-N,C20H48O8Si2Sn,591.5,592.190974,,73.8,362,0,0,8,22,31,,,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0
SODIUM FORMALDEHYDESULFOXYLATE,000149-44-0,24181102,,C(O)S(=O)O.[Na],"InChI=1S/CH4O3S.Na/c2-1-5(3)4;/h2H,1H2,(H,3,4);",SAJLIOLJORWJIO-UHFFFAOYSA-N,CH4NaO3S,119.1,118.9778844,,76.7,42,0,2,4,1,6,,,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0
GLUTATHIONE,000070-18-8,124886,(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",RWSXRVCMGQZWBV-WDSKDSINSA-N,C10H17N3O6S,307.33,307.0838064,-4.5,160,389,0,6,8,9,20,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
HYDROXYMETHANESULFINIC ACID MONOSODIUM SALT DIHYDRATE,006035-47-8,23677960,sodium;sulfinomethanolate;dihydrate,C([O-])S(=O)O.O.O.[Na+],"InChI=1S/CH3O3S.Na.2H2O/c2-1-5(3)4;;;/h1H2,(H,3,4);;2*1H2/q-1;+1;;",VJWVWUHJLZEHOU-UHFFFAOYSA-N,CH7NaO5S,154.12,153.9911888,,81.6,46,0,3,6,1,8,,,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0
TERT-BUTYL HYDROPEROXIDE,000075-91-2,6410,2-hydroperoxy-2-methylpropane,CC(C)(C)OO,"InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3",CIHOLLKRGTVIJN-UHFFFAOYSA-N,C4H10O2,90.12,90.06807956,0.6,29.5,35,0,1,2,1,6,"80 °F (NTP, 1992)","192 °F at 760 mmHg (decomposes); 104 °F at 23 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
TRIFLUOROMETHYL IODIDE,002314-97-8,16843,trifluoro(iodo)methane,C(F)(F)(F)I,"InChI=1S/CF3I/c2-1(3,4)5",VPAYJEUHKVESSD-UHFFFAOYSA-N,CF3I,195.91,195.89968,2.1,0,28,0,0,3,0,5,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
DIBUTYLTIN DILAURATE,000077-58-7,16682738,[dibutyl(dodecanoyloxy)stannyl] dodecanoate,CCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCC,"InChI=1S/2C12H24O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-4H2,2H3;/q;;;;+2/p-2",UKLDJPRMSDWDSL-UHFFFAOYSA-L,C32H64O4Sn,631.6,632.382663,,52.6,477,0,0,4,30,37,"446 °F (NTP, 1992)","205 °C at 1.3 kPa (to convert kPa to mm Hg, multiply by 7.5)",0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"DODECANOIC ACID, CADMIUM SALT",002605-44-9,87250089,cadmium;dodecanoic acid,CCCCCCCCCCCC(=O)O.[Cd],"InChI=1S/C12H24O2.Cd/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);",GIYNJHYNUGVEMB-UHFFFAOYSA-N,C12H24CdO2,312.73,314.080995,,37.3,132,0,1,2,10,15,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"2,6-OCTADIENENITRILE, 3,7-DIMETHYL-, (Z)-",031983-27-4,1551245,"(2Z)-3,7-dimethylocta-2,6-dienenitrile",CC(=CCC/C(=C\C#N)/C)C,"InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3/b10-7-",HLCSDJLATUNSSI-YFHOEESVSA-N,C10H15N,149.23,149.1204495,3.3,23.8,208,0,0,1,3,11,,,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0
INDIUM PHOSPHIDE,022398-80-7,31170,indiganylidynephosphane,P#[In],InChI=1S/In.P,GPXJNWSHGFTCBW-UHFFFAOYSA-N,InP,145.792,145.8776408,,0,10,0,0,0,0,2,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Propylamine, N-methyl-N-nitroso-",000924-46-9,13545,N-methyl-N-propylnitrous amide,CCCN(C)N=O,"InChI=1S/C4H10N2O/c1-3-4-6(2)5-7/h3-4H2,1-2H3",ITBDKUCVKYSWMF-UHFFFAOYSA-N,C4H10N2O,102.14,102.0793129,1.1,32.7,55,0,0,3,2,7,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ERIONITE,012510-42-8,61565,aluminum;calcium;potassium;sodium;oxido-[oxido(oxo)silyl]oxy-oxosilane;oxygen(2-);triacontahydrate,O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[O-2].[O-][Si](=O)O[Si](=O)[O-].[Na+].[Al+3].[K+].[Ca+2],InChI=1S/Al.Ca.K.Na.O5Si2.30H2O.O/c;;;;1-6(2)5-7(3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;30*1H2;/q+3;+2;2*+1;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;-2,AQTSNQQRPNNYRB-UHFFFAOYSA-N,AlCaH60KNaO36Si2+3,821.77,821.1378863,,120,71,3,30,36,0,42,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANENITRILE, 3-(ISODECYLOXY)-",064354-92-3,110608,3-(8-methylnonoxy)propanenitrile,CC(C)CCCCCCCOCCC#N,"InChI=1S/C13H25NO/c1-13(2)9-6-4-3-5-7-11-15-12-8-10-14/h13H,3-9,11-12H2,1-2H3",XDCQMQXLBGPTHH-UHFFFAOYSA-N,C13H25NO,211.34,211.1936144,4,33,169,0,0,2,10,15,,,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TREMOLITE (NONASBESTIFORM),014567-73-8,131634194,dicalcium;pentamagnesium;[dioxido-[oxo(trioxidosilyloxy)silyl]oxysilyl]oxy-[[dioxido-[oxo(trioxidosilyloxy)silyl]oxysilyl]oxy-oxosilyl]oxy-dioxidosilane;dihydroxide,[OH-].[OH-].[O-][Si]([O-])([O-])O[Si](=O)O[Si]([O-])([O-])O[Si](=O)O[Si]([O-])([O-])O[Si]([O-])([O-])O[Si](=O)O[Si]([O-])([O-])[O-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Ca+2].[Ca+2],"InChI=1S/2Ca.5Mg.O22Si8.2H2O/c;;;;;;;1-23(16-26(4,5)6)18-28(10,11)19-25(3)21-30(14,15)22-29(12,13)20-24(2)17-27(7,8)9;;/h;;;;;;;;2*1H2/q7*+2;-12;;/p-2",NPUJHQNGUMWIMV-UHFFFAOYSA-L,Ca2H2Mg5O24Si8,812.37,809.5594033,,395,618,0,2,24,12,39,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0
DIAZOMETHANE,000334-88-3,9550,diazomethane,C=[N+]=[N-],InChI=1S/CH2N2/c1-3-2/h1H2,YXHKONLOYHBTNS-UHFFFAOYSA-N,CH2N2,42.04,42.02179807,1.6,2,25,0,0,1,0,3,Flammable gas,"-9 °F at 760 mmHg (NIOSH, 2024)",0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
N-NITROSODIETHANOLAMINE,001116-54-7,14223,"N,N-bis(2-hydroxyethyl)nitrous amide",C(CO)N(CCO)N=O,"InChI=1S/C4H10N2O3/c7-3-1-6(5-9)2-4-8/h7-8H,1-4H2",YFCDLVPYFMHRQZ-UHFFFAOYSA-N,C4H10N2O3,134.13,134.0691422,-1.5,73.1,72,0,2,5,4,9,,"237 °F at 1.5 mmHg (NTP, 1992)",0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
LEAD OXIDE SULFATE (PB4O3(SO4)),012202-17-4,9941248,tetrakis(lead(2+));tris(oxygen(2-));sulfate,[O-2].[O-2].[O-2].[O-]S(=O)(=O)[O-].[Pb+2].[Pb+2].[Pb+2].[Pb+2],"InChI=1S/H2O4S.3O.4Pb/c1-5(2,3)4;;;;;;;/h(H2,1,2,3,4);;;;;;;/q;3*-2;4*+2/p-2",OCWMFVJKFWXKNZ-UHFFFAOYSA-L,O7Pb4S,970,972.84014,,91.6,62,0,0,7,0,12,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,1
C.I. PIGMENT RED 104,012656-85-8,138394069,dioxido(dioxo)chromium;dioxido(dioxo)molybdenum;tris(lead(2+));sulfate,[O-]S(=O)(=O)[O-].[O-][Cr](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-].[Pb+2].[Pb+2].[Pb+2],"InChI=1S/Cr.Mo.H2O4S.8O.3Pb/c;;1-5(2,3)4;;;;;;;;;;;/h;;(H2,1,2,3,4);;;;;;;;;;;/q;;;;;;;4*-1;3*+2/p-2",AUNAPVYQLLNFOI-UHFFFAOYSA-L,CrMoO12Pb3S,990,995.68472,,249,187,0,0,12,0,18,,,1,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
LEAD CHROMATE(VI),007758-97-6,24460,dioxido(dioxo)chromium;lead(2+),[O-][Cr](=O)(=O)[O-].[Pb+2],InChI=1S/Cr.4O.Pb/q;;;2*-1;+2,MOUPNEIJQCETIW-UHFFFAOYSA-N,CrO4Pb,323,323.89682,,80.3,62,0,0,4,0,6,,"Decomposes (NTP, 1992)",1,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
GALLIUM ARSENIDE,001303-00-0,14770,gallanylidynearsane,[Ga]#[As],InChI=1S/As.Ga,JBRZTFJDHDCESZ-UHFFFAOYSA-N,AsGa,144.645,143.84717,,0,10,0,0,0,0,2,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0
LEAD TITANATE,012060-00-3,16211560,dioxido(oxo)titanium;lead(2+),[O-][Ti](=O)[O-].[Pb+2],InChI=1S/3O.Pb.Ti/q;2*-1;+2;,NKZSPGSOXYXWQA-UHFFFAOYSA-N,O3PbTi,303,303.90934,,63.2,18,0,0,3,0,5,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,1
"ASBESTOS, CHRYSOTILE",012001-29-5,25477,trimagnesium;bis(hydroxy(trioxido)silane);hydrate,O.O[Si]([O-])([O-])[O-].O[Si]([O-])([O-])[O-].[Mg+2].[Mg+2].[Mg+2],"InChI=1S/3Mg.2HO4Si.H2O/c;;;2*1-5(2,3)4;/h;;;2*1H;1H2/q3*+2;2*-3;",CWBIFDGMOSWLRQ-UHFFFAOYSA-N,H4Mg3O9Si2,277.11,275.8945098,,180,25,0,3,9,0,14,,"Decomposes (NIOSH, 2024)",0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"ASBESTOS, CROCIDOLITE",012001-28-4,86278622,trimagnesium;disodium;octakis(dihydroxy(oxo)silane);bis(iron(3+)),O[Si](=O)O.O[Si](=O)O.O[Si](=O)O.O[Si](=O)O.O[Si](=O)O.O[Si](=O)O.O[Si](=O)O.O[Si](=O)O.[Na+].[Na+].[Mg+2].[Mg+2].[Mg+2].[Fe+3].[Fe+3],InChI=1S/2Fe.3Mg.2Na.8H2O3Si/c;;;;;;;8*1-4(2)3/h;;;;;;;8*1-2H/q2*+3;3*+2;2*+1;;;;;;;;,ULEFFCDROVNTRO-UHFFFAOYSA-N,Fe2H16Mg3Na2O24Si8+14,855.38,853.623098,,460,26,14,16,24,0,39,,"Decomposes (NIOSH, 2024)",0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0
COBALT NITRATE HEXAHYDRATE,010026-22-9,24821,cobalt(2+);dinitrate;hexahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[Co+2],InChI=1S/Co.2NO3.6H2O/c;2*2-1(3)4;;;;;;/h;;;6*1H2/q+2;2*-1;;;;;;,QGUAJWGNOXCYJF-UHFFFAOYSA-N,CoH12N2O12,291.04,290.972217,,132,18,0,6,12,0,15,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SILICON CARBIDE,000409-21-2,9863,methanidylidynesilanylium,[C-]#[Si+],InChI=1S/CSi/c1-2,HBMJWWWQQXIZIP-UHFFFAOYSA-N,CSi,40.096,39.97692653,,0,10,0,0,1,0,2,,"Sublimes (NIOSH, 2024)",0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
NICKEL ALUMINIDE,012003-78-0,6336846,aluminum;nickel,[Al].[Ni],InChI=1S/Al.Ni,NPXOKRUENSOPAO-UHFFFAOYSA-N,AlNi,85.675,84.91688,,0,0,0,0,0,0,2,,,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM PERFLUORODECANOATE,003830-45-3,23685740,"sodium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate",C(=O)(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-].[Na+],"InChI=1S/C10HF19O2.Na/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29;/h(H,30,31);/q;+1/p-1",HHJPUGPQEALNIL-UHFFFAOYSA-M,C10F19NaO2,536.06,535.9492586,,40.1,707,0,0,21,8,32,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1-PROPANOL, 2,3-DICHLORO-, PHOSPHATE (3:1)",000078-43-3,6538,"tris(2,3-dichloropropyl) phosphate",C(C(CCl)Cl)OP(=O)(OCC(CCl)Cl)OCC(CCl)Cl,"InChI=1S/C9H15Cl6O4P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h7-9H,1-6H2",JZZBTMVTLBHJHL-UHFFFAOYSA-N,C9H15Cl6O4P,430.9,429.880962,3.3,44.8,255,0,0,4,12,20,,,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM TITANIUM OXIDE (K2TI6O13),012056-51-8,138394505,dipotassium;tridecakis(oxygen(2-));hexakis(titanium(4+)),[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[K+].[K+].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4],InChI=1S/2K.13O.6Ti/q2*+1;13*-2;6*+4,WBRAFRSXIPIOPJ-UHFFFAOYSA-N,K2O13Ti6,573.39,573.548947,,13,0,0,0,13,0,21,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-DICHLORO-2-PROPANOL PHOSPHATE (3:1)",013674-87-8,26177,"tris(1,3-dichloropropan-2-yl) phosphate",C(C(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl)Cl,"InChI=1S/C9H15Cl6O4P/c10-1-7(2-11)17-20(16,18-8(3-12)4-13)19-9(5-14)6-15/h7-9H,1-6H2",ASLWPAWFJZFCKF-UHFFFAOYSA-N,C9H15Cl6O4P,430.9,429.880962,3.3,44.8,243,0,0,4,12,20,"485 °F (NTP, 1992)","457 to 459 °F at 5 mmHg (NTP, 1992)",0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM TITANIUM OXIDE (K2TI8O17),059766-31-3,197199,dipotassium;heptadecakis(oxygen(2-));octakis(titanium(4+)),[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[K+].[K+].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4],InChI=1S/2K.17O.8Ti/q2*+1;17*-2;8*+4,WUEKQAQFWCROIB-UHFFFAOYSA-N,K2O17Ti8,733.12,733.424487,,17,0,0,0,17,0,27,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-(N-NITROSOMETHYLAMINO)PROPIONITRILE,060153-49-3,62163,N-(2-cyanoethyl)-N-methylnitrous amide,CN(CCC#N)N=O,"InChI=1S/C4H7N3O/c1-7(6-8)4-2-3-5/h2,4H2,1H3",HZDLDFBKYBGNHG-UHFFFAOYSA-N,C4H7N3O,113.12,113.0589119,-0.1,56.5,114,0,0,4,2,8,,"216 to 217 °F at 0.04 mmHg (NTP, 1992)",0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
FUMONISIN B1,116355-83-0,2733487,"(2R)-2-[2-[(5R,6R,7S,9S,11R,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid",CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCC[C@H](C[C@@H]([C@H](C)N)O)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O,"InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/t19-,20+,21-,22+,23+,24+,25+,26-,27-,32+/m0/s1",UVBUBMSSQKOIBE-DSLOAKGESA-N,C34H59NO15,721.8,721.3884702,-0.5,289,1070,0,8,16,31,50,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PENTACHLOROETHANE,000076-01-7,6419,"1,1,1,2,2-pentachloroethane",C(C(Cl)(Cl)Cl)(Cl)Cl,"InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H",BNIXVQGCZULYKV-UHFFFAOYSA-N,C2HCl5,202.3,201.849138,3.2,0,51,0,0,0,0,7,,"324 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"1-PROPANAMINIUM, 3-CHLORO-2-HYDROXY-N,N,N-TRIMETHYL-, CHLORIDE",003327-22-8,18732,(3-chloro-2-hydroxypropyl)-trimethylazanium chloride,C[N+](C)(C)CC(CCl)O.[Cl-],"InChI=1S/C6H15ClNO.ClH/c1-8(2,3)5-6(9)4-7;/h6,9H,4-5H2,1-3H3;1H/q+1;/p-1",CSPHGSFZFWKVDL-UHFFFAOYSA-M,C6H15Cl2NO,188.09,187.0530695,,20.2,79,0,1,2,3,10,,,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
LEAD SUBACETATE,001335-32-6,5284406,tris(lead(2+));diacetate;tetrahydroxide,CC(=O)[O-].CC(=O)[O-].[OH-].[OH-].[OH-].[OH-].[Pb+2].[Pb+2].[Pb+2],"InChI=1S/2C2H4O2.4H2O.3Pb/c2*1-2(3)4;;;;;;;/h2*1H3,(H,3,4);4*1H2;;;/q;;;;;;3*+2/p-6",VLOJXAQYHIVPFI-UHFFFAOYSA-H,C4H10O8Pb3,810,807.96534,,84.3,25,0,4,8,0,15,,Decomposes at 200 °C,1,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
ANTIMONY TRIOXIDE,001309-64-4,14794,bis(antimony(3+));tris(oxygen(2-)),[O-2].[O-2].[O-2].[Sb+3].[Sb+3],InChI=1S/3O.2Sb/q3*-2;2*+3,GHPGOEFPKIHBNM-UHFFFAOYSA-N,O3Sb2,291.52,291.79277,,3,0,0,0,3,0,5,"Not Applicable. Not flammable. (USCG, 1999)","2822 °F at 760 mmHg (sublimes); 1598 °F at 210 mmHg (NTP, 1992)",0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ERBIUM IODIDE,013813-42-8,83749,triiodoerbium,I[Er](I)I,InChI=1S/Er.3HI/h;3*1H/q+3;;;/p-3,OKVQKDALNLHZLB-UHFFFAOYSA-K,ErI3,547.97,546.6437,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
BETA-AMINOPROPIONITRILE MONOFUMARATE,002079-89-2,5462653,bis(3-aminopropanenitrile);(E)-but-2-enedioic acid,C(CN)C#N.C(CN)C#N.C(=C/C(=O)O)\C(=O)O,"InChI=1S/C4H4O4.2C3H6N2/c5-3(6)1-2-4(7)8;2*4-2-1-3-5/h1-2H,(H,5,6)(H,7,8);2*1-2,4H2/b2-1+;;",NYMXYZMHOZAPHQ-SEPHDYHBSA-N,C10H16N4O4,256.26,256.117155,,174,168,0,4,8,4,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
MANGANESE (II) MOLYBDATE,014013-15-1,84155,dioxido(dioxo)molybdenum;manganese(2+),[O-][Mo](=O)(=O)[O-].[Mn+2],InChI=1S/Mn.Mo.4O/q+2;;;;2*-1,QYZFLCQIQOHNTP-UHFFFAOYSA-N,MnMoO4,214.89,216.823105,,80.3,62,0,0,4,0,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"HAFNIUM(IV) IODIDE, ANHYDROUS",013777-23-6,83726,tetraiodohafnium,I[Hf](I)(I)I,InChI=1S/Hf.4HI/h;4*1H/q+4;;;;/p-4,YCJQNNVSZNFWAH-UHFFFAOYSA-J,HfI4,686.1,687.5644,,0,19,0,0,0,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
N-METHYLACETAMIDE-D7,003669-74-7,16213788,"N,2,2,2-tetradeuterio-N-(trideuteriomethyl)acetamide",[2H]C([2H])([2H])C(=O)N([2H])C([2H])([2H])[2H],"InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)/i1D3,2D3/hD",OHLUUHNLEMFGTQ-KBKLHOFPSA-N,C3H7NO,80.14,80.09670107,-1.1,29.1,42,0,1,1,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"HEPTANOIC ACID, TRIDECAFLUORO-, SODIUM SALT",020109-59-5,23672327,"sodium 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate",C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-].[Na+],"InChI=1S/C7HF13O2.Na/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20;/h(H,21,22);/q;+1/p-1",LKGSCUOIQGNNEK-UHFFFAOYSA-M,C7F13NaO2,386.04,385.9588396,,40.1,454,0,0,15,5,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"HEXANOIC ACID, 2-ETHYL-, TRIANHYDRIDE WITH BORIC ACID (H3BO3)",051136-86-8,162628,bis(2-ethylhexanoyloxy)boranyl 2-ethylhexanoate,B(OC(=O)C(CC)CCCC)(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC,"InChI=1S/C24H45BO6/c1-7-13-16-19(10-4)22(26)29-25(30-23(27)20(11-5)17-14-8-2)31-24(28)21(12-6)18-15-9-3/h19-21H,7-18H2,1-6H3",NREHJWUDMQQZAP-UHFFFAOYSA-N,C24H45BO6,440.4,440.3309193,,78.9,439,0,0,6,21,31,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"PROPANOIC ACID, 2-HYDROXY-, COMPD. WITH N-[2-[(2-HYDROXYETHYL)AMINO]ETHYL]OCTA",068016-02-4,107048,N-[2-(2-hydroxyethylamino)ethyl]octadecanamide;2-hydroxypropanoic acid,CCCCCCCCCCCCCCCCCC(=O)NCCNCCO.CC(C(=O)O)O,"InChI=1S/C22H46N2O2.C3H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25;1-2(4)3(5)6/h23,25H,2-21H2,1H3,(H,24,26);2,4H,1H3,(H,5,6)",KPYQBPNFLHDHGG-UHFFFAOYSA-N,C25H52N2O5,460.7,460.3876228,,119,344,0,5,6,22,32,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"HEPTANOIC ACID, TRIDECAFLUORO-, AMMONIUM SALT",006130-43-4,73555207,"azanium 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate",C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-].[NH4+],"InChI=1S/C7HF13O2.H3N/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20;/h(H,21,22);1H3",JVZREVRTMWNFME-UHFFFAOYSA-N,C7H4F13NO2,381.09,381.0034445,,41.1,442,0,1,15,4,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"HEXANOIC ACID, 2-ETHYL-, COMPD. WITH N,N-DIBUTYL-1-BUTANAMINE (1:1)",058823-74-8,100855,"N,N-dibutylbutan-1-amine;2-ethylhexanoic acid",CCCCC(CC)C(=O)O.CCCCN(CCCC)CCCC,"InChI=1S/C12H27N.C8H16O2/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-3-5-6-7(4-2)8(9)10/h4-12H2,1-3H3;7H,3-6H2,1-2H3,(H,9,10)",SCEKXRWFEURKLT-UHFFFAOYSA-N,C20H43NO2,329.6,329.3293796,,40.5,172,0,1,3,14,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
DIETHYLENE GLYCOL MONOMETHYL ETHER,000111-77-3,8134,2-(2-methoxyethoxy)ethanol,COCCOCCO,"InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3",SBASXUCJHJRPEV-UHFFFAOYSA-N,C5H12O3,120.15,120.0786442,-0.9,38.7,38,0,1,3,5,8,"200 °F (NTP, 1992)","381 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
DIOCTYLDI(LAUROYLOXY)STANNANE,003648-18-8,16683946,[dodecanoyloxy(dioctyl)stannyl] dodecanoate,CCCCCCCCCCCC(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)CCCCCCCCCCC,"InChI=1S/2C12H24O2.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-5-7-8-6-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-8H2,2H3;/q;;;;+2/p-2",XQBCVRSTVUHIGH-UHFFFAOYSA-L,C40H80O4Sn,743.8,744.507864,,52.6,584,0,0,4,38,45,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
TELLURIUM DIOXIDE,007446-07-3,62638,tellurium dioxide,O=[Te]=O,InChI=1S/O2Te/c1-3-2,LAJZODKXOMJMPK-UHFFFAOYSA-N,O2Te,159.6,161.896052,,34.1,18,0,0,2,0,3,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
TRIETHYLENE GLYCOL DIMETHYL ETHER,000112-49-2,8189,1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane,COCCOCCOCCOC,"InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3",YFNKIDBQEZZDLK-UHFFFAOYSA-N,C8H18O4,178.23,178.1205091,-0.5,36.9,67,0,0,4,9,12,"232 °F (NTP, 1992)","421 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
LEAD ACETATE,000301-04-2,9317,lead(2+) diacetate,CC(=O)[O-].CC(=O)[O-].[Pb+2],"InChI=1S/2C2H4O2.Pb/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",GUWSLQUAAYEZAF-UHFFFAOYSA-L,C4H6O4Pb,325,326.00326,,80.3,25,0,0,4,0,9,,Decomposes,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
ACETYL METHYL AMINE,000079-16-3,6582,N-methylacetamide,CC(=O)NC,"InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)",OHLUUHNLEMFGTQ-UHFFFAOYSA-N,C3H7NO,73.09,73.05276385,-1.1,29.1,42,0,1,1,0,5,108 °C,205 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"BORIC ACID (H3BO3), COMPD. WITH 2-AMINOETHANOL (1:3)",068797-44-4,163264,tris(2-aminoethanol);boric acid,B(O)(O)O.C(CO)N.C(CO)N.C(CO)N,"InChI=1S/3C2H7NO.BH3O3/c3*3-1-2-4;2-1(3)4/h3*4H,1-3H2;2-4H",ZSTOQZSWLMZRQH-UHFFFAOYSA-N,C6H24BN3O6,245.09,245.1758157,,199,18,0,9,9,3,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2,5,7,10-TETRAOXA-6-SILAUNDECANE, 6-ETHENYL-6-(2-METHOXYETHOXY)-",001067-53-4,14025,ethenyl-tris(2-methoxyethoxy)silane,COCCO[Si](C=C)(OCCOC)OCCOC,"InChI=1S/C11H24O6Si/c1-5-18(15-9-6-12-2,16-10-7-13-3)17-11-8-14-4/h5H,1,6-11H2,2-4H3",WOXXJEVNDJOOLV-UHFFFAOYSA-N,C11H24O6Si,280.39,280.134215,,55.4,175,0,0,6,13,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
SODIUM TETRABORATE PENTAHYDRATE,012179-04-3,86341921,disodium;[oxido(oxoboranyloxy)boranyl]oxy-oxoboranyloxyborinate;pentahydrate,B(=O)OB([O-])OB([O-])OB=O.O.O.O.O.O.[Na+].[Na+],InChI=1S/B4O7.2Na.5H2O/c5-1-9-3(7)11-4(8)10-2-6;;;;;;;/h;;;5*1H2/q-2;2*+1;;;;;,QZSYXKPOZFXCDM-UHFFFAOYSA-N,B4H10Na2O12,291.3,292.033985,,113,110,0,5,12,4,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"BORIC ACID (H3BO3), SODIUM SALT",013840-56-7,160998,sodium borate,B([O-])([O-])[O-].[Na+],InChI=1S/BO3.Na/c2-1(3)4;/q-3;+1,WJZOJDGNGVXSIK-UHFFFAOYSA-N,BNaO3-2,81.8,81.9838183,,69.2,8,-2,0,3,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
BIS(2-(2-METHOXYETHOXY)ETHYL) ETHER,000143-24-8,8925,1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane,COCCOCCOCCOCCOC,"InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3",ZUHZGEOKBKGPSW-UHFFFAOYSA-N,C10H22O5,222.28,222.1467238,-0.7,46.2,98,0,0,5,12,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"STANNANE, DIMETHYLTHIOXO-",013269-74-4,83285,dimethyl(sulfanylidene)tin,C[Sn](=S)C,InChI=1S/2CH3.S.Sn/h2*1H3;;,RVMIAWRQTOWLOY-UHFFFAOYSA-N,C2H6SSn,180.85,181.921224,,32.1,29,0,0,1,0,4,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
CESIUM CHLORIDE,007647-17-8,24293,cesium chloride,[Cl-].[Cs+],InChI=1S/ClH.Cs/h1H;/q;+1/p-1,AIYUHDOJVYHVIT-UHFFFAOYSA-M,ClCs,168.36,167.8743047,,0,2,0,0,1,0,2,,1290 °C (sublimes),0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
ALUMINUM 2-ETHYLHEXANOATE,003002-63-9,102923,aluminum tris(2-ethylhexanoate),CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Al+3],"InChI=1S/3C8H16O2.Al/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3",SHUVPCZKRKOKMU-UHFFFAOYSA-K,C24H45AlO6,456.6,456.3031526,,120,93,0,0,6,12,31,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"HEXANOIC ACID, 2-ETHYL-, TITANIUM(4+) SALT",003645-34-9,6451578,tetrakis(2-ethylhexanoate);titanium(4+),CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ti+4],"InChI=1S/4C8H16O2.Ti/c4*1-3-5-6-7(4-2)8(9)10;/h4*7H,3-6H2,1-2H3,(H,9,10);/q;;;;+4/p-4",GDKAXSGMPFSRJY-UHFFFAOYSA-J,C32H60O8Ti,620.7,620.3767595,,161,93,0,0,8,16,41,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1,1,2,2,3,3,4,4,4-NONAFLUORO-N-(2-HYDROXYETHYL)-N-METHYL-1-BUTANESULFONAMIDE",034454-97-2,118688,"1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide",CN(CCO)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C7H8F9NO3S/c1-17(2-3-18)21(19,20)7(15,16)5(10,11)4(8,9)6(12,13)14/h18H,2-3H2,1H3",DSRUAYIFDCHEEV-UHFFFAOYSA-N,C7H8F9NO3S,357.2,357.0081178,2.1,66,467,0,1,13,6,21,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,1
POTASSIUM TETRABORATE TETRAHYDRATE,012045-78-2,71310090,dipotassium;[oxido(oxoboranyloxy)boranyl]oxy-oxoboranyloxyborinate;tetrahydrate,B(=O)OB([O-])OB([O-])OB=O.O.O.O.O.[K+].[K+],InChI=1S/B4O7.2K.4H2O/c5-1-9-3(7)11-4(8)10-2-6;;;;;;/h;;;4*1H2/q-2;2*+1;;;;,HPERZVLSBPUYIW-UHFFFAOYSA-N,B4H8K2O11,305.5,305.9712947,,112,110,0,4,11,4,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
DIOCTYLTIN OXIDE,000870-08-6,93563,dioctyl(oxo)tin,CCCCCCCC[Sn](=O)CCCCCCCC,"InChI=1S/2C8H17.O.Sn/c2*1-3-5-7-8-6-4-2;;/h2*1,3-8H2,2H3;;",LQRUPWUPINJLMU-UHFFFAOYSA-N,C16H34OSn,361.2,362.163168,,17.1,162,0,0,1,14,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,1
"STANNANE, DIOCTYLBIS[(1-OXONEODECYL)OXY]-",068299-15-0,16684129,"[dioctyl(2,2,5,5-tetramethylhexanoyloxy)stannyl] 2,2,5,5-tetramethylhexanoate",CCCCCCCC[Sn](CCCCCCCC)(OC(=O)C(C)(C)CCC(C)(C)C)OC(=O)C(C)(C)CCC(C)(C)C,"InChI=1S/2C10H20O2.2C8H17.Sn/c2*1-9(2,3)6-7-10(4,5)8(11)12;2*1-3-5-7-8-6-4-2;/h2*6-7H2,1-5H3,(H,11,12);2*1,3-8H2,2H3;/q;;;;+2/p-2",NNVDGGDSRRQJMV-UHFFFAOYSA-L,C36H72O4Sn,687.7,688.445263,,52.6,665,0,0,4,26,41,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"2,2,4-TRIMETHYL-1,3-PENTANEDIOL DIISOBUTYRATE (ESTER)",006846-50-0,23284,"[2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate",CC(C)C(C(C)(C)COC(=O)C(C)C)OC(=O)C(C)C,"InChI=1S/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3",OMVSWZDEEGIJJI-UHFFFAOYSA-N,C16H30O4,286.41,286.2144094,4.7,52.6,329,0,0,4,9,20,250 °F (121 °C) (Open cup),380 °C,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
DIMETHICONOL,031692-79-2,14014,dihydroxy(dimethyl)silane,C[Si](C)(O)O,"InChI=1S/C2H8O2Si/c1-5(2,3)4/h3-4H,1-2H3",XCLIHDJZGPCUBT-UHFFFAOYSA-N,C2H8O2Si,92.17,92.02935603,,40.5,30,0,2,2,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
METHYLTIN TRICHLORIDE,000993-16-8,101940,trichloro(methyl)stannane,C[Sn](Cl)(Cl)Cl,InChI=1S/CH3.3ClH.Sn/h1H3;3*1H;/q;;;;+3/p-3,YFRLQYJXUZRYDN-UHFFFAOYSA-K,CH3Cl3Sn,240.1,239.832236,,0,28,0,0,0,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"BORIC ACID, ALUMINUM SALT",011121-16-7,16204948,aluminum borate,B([O-])([O-])[O-].[Al+3],InChI=1S/Al.BO3/c;2-1(3)4/q+3;-3,OJMOMXZKOWKUTA-UHFFFAOYSA-N,AlBO3,85.79,85.9755874,,69.2,8,0,0,3,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
HEXAMETHONIUM BROMIDE,000055-97-0,5938,trimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibromide,C[N+](C)(C)CCCCCC[N+](C)(C)C.[Br-].[Br-],"InChI=1S/C12H30N2.2BrH/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2",FAPSXSAPXXJTOU-UHFFFAOYSA-L,C12H30Br2N2,362.19,362.07552,,0,121,0,0,2,7,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
BIS(TRIMETHOXYSILYL)HEXANE,087135-01-1,159046,trimethoxy(6-trimethoxysilylhexyl)silane,CO[Si](CCCCCC[Si](OC)(OC)OC)(OC)OC,"InChI=1S/C12H30O6Si2/c1-13-19(14-2,15-3)11-9-7-8-10-12-20(16-4,17-5)18-6/h7-12H2,1-6H3",GFKCWAROGHMSTC-UHFFFAOYSA-N,C12H30O6Si2,326.53,326.1580917,,55.4,193,0,0,6,13,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
MANGANESE CARBONATE,000598-62-9,11726,manganese(2+) carbonate,C(=O)([O-])[O-].[Mn+2],"InChI=1S/CH2O3.Mn/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",XMWCXZJXESXBBY-UHFFFAOYSA-L,CMnO3,114.947,114.922787,,63.2,18,0,0,3,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"PROPANOIC ACID, 2,2,3,3-TETRAFLUORO-, SODIUM SALT",022898-01-7,23672333,"sodium 2,2,3,3-tetrafluoropropanoate",C(C(C(=O)[O-])(F)F)(F)F.[Na+],"InChI=1S/C3H2F4O2.Na/c4-1(5)3(6,7)2(8)9;/h1H,(H,8,9);/q;+1/p-1",SGUSXTMVKMPQKI-UHFFFAOYSA-M,C3HF4NaO2,168.02,167.9810362,,40.1,126,0,0,6,2,10,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
FELDSPAR (POTASSIUM FELDSPAR),012168-80-8,3080680,aluminum;potassium;octakis(oxygen(2-));tris(silicon(4+)),[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Al+3].[Si+4].[Si+4].[Si+4].[K+],InChI=1S/Al.K.8O.3Si/q+3;+1;8*-2;3*+4,DLHONNLASJQAHX-UHFFFAOYSA-N,AlKO8Si3,278.33,277.8353415,,8,0,0,0,8,0,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
MANGANESE(II) SULFATE TETRAHYDRATE,010101-68-5,22572548,manganese(2+);sulfate;tetrahydrate,O.O.O.O.[O-]S(=O)(=O)[O-].[Mn+2],"InChI=1S/Mn.H2O4S.4H2O/c;1-5(2,3)4;;;;/h;(H2,1,2,3,4);4*1H2/q+2;;;;;/p-2",CDUFCUKTJFSWPL-UHFFFAOYSA-L,H8MnO8S,223.06,222.932031,,92.6,62,0,4,8,0,10,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"MANGANESE SULFATE, MONOHYDRATE",010034-96-5,177577,manganese(2+);sulfate;hydrate,O.[O-]S(=O)(=O)[O-].[Mn+2],"InChI=1S/Mn.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+2;;/p-2",ISPYRSDWRDQNSW-UHFFFAOYSA-L,H2MnO5S,169.02,168.900337,,89.6,62,0,1,5,0,7,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
LITHIUM MANGANESE IRON PHOSPHATE (LIMN0.6FE0.4PO4) LMFP CATHODE POWDER,013826-59-0,22178930,lithium;manganese(2+);phosphate,[Li+].[O-]P(=O)([O-])[O-].[Mn+2],"InChI=1S/Li.Mn.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q+1;+2;/p-3",ILXAVRFGLBYNEJ-UHFFFAOYSA-K,LiMnO4P,156.9,156.907467,,86.3,36,0,0,4,0,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
SAMARIUM OXIDE,012060-58-1,159425,tris(oxygen(2-));bis(samarium(3+)),[O-2].[O-2].[O-2].[Sm+3].[Sm+3],InChI=1S/3O.2Sm/q3*-2;2*+3,FKTOIHSPIPYAPE-UHFFFAOYSA-N,O3Sm2,348.7,353.8267,,3,0,0,0,3,0,5,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ZINC CARBONATE,003486-35-9,19005,zinc carbonate,C(=O)([O-])[O-].[Zn+2],"InChI=1S/CH2O3.Zn/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",FMRLDPWIRHBCCC-UHFFFAOYSA-L,CO3Zn,125.4,123.913886,,63.2,18,0,0,3,0,5,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
INDIUM ARSENIDE,001303-11-3,91500,indiganylidynearsane,[As]#[In],InChI=1S/As.In,RPQDHPTXJYYUPQ-UHFFFAOYSA-N,AsIn,189.74,189.825473,,0,10,0,0,0,0,2,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-BROMONONANE,000693-58-3,12742,1-bromononane,CCCCCCCCCBr,"InChI=1S/C9H19Br/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3",AYMUQTNXKPEMLM-UHFFFAOYSA-N,C9H19Br,207.15,206.06701,5.4,0,52,0,0,0,7,10,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ISOOCTYL PALMITATE,001341-38-4,14934,6-methylheptyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCCCCCC(C)C,"InChI=1S/C24H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24(25)26-22-19-16-17-20-23(2)3/h23H,4-22H2,1-3H3",CJSPFDQEYQBDNN-UHFFFAOYSA-N,C24H48O2,368.6,368.3654308,10.6,26.3,286,0,0,2,21,26,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PROPYLENEGLYCOL MONOLAURATE,000142-55-2,14870,2-hydroxypropyl dodecanoate,CCCCCCCCCCCC(=O)OCC(C)O,"InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-15(17)18-13-14(2)16/h14,16H,3-13H2,1-2H3",BHIZVZJETFVJMJ-UHFFFAOYSA-N,C15H30O3,258.4,258.2194948,5,46.5,192,0,1,3,13,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-BUTYL-1-OCTANOL,003913-02-8,19800,2-butyloctan-1-ol,CCCCCCC(CCCC)CO,"InChI=1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3",XMVBHZBLHNOQON-UHFFFAOYSA-N,C12H26O,186.33,186.1983654,4.8,20.2,91,0,1,1,9,13,,145.00 to 149.00 °C. @ 760.00 mm Hg,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CARBAMODITHIOIC ACID, DIMETHYL, POTASSIUM SALT",000128-03-0,23662387,"potassium N,N-dimethylcarbamodithioate",CN(C)C(=S)[S-].[K+],"InChI=1S/C3H7NS2.K/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1",TVPFLPJBESCUKI-UHFFFAOYSA-M,C3H6KNS2,159.32,158.957873,,36.3,64,0,0,2,0,7,,>212 °F,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-PENTADECANONE, 6,10,14-TRIMETHYL-",000502-69-2,10408,"6,10,14-trimethylpentadecan-2-one",CC(C)CCCC(C)CCCC(C)CCCC(=O)C,"InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3",WHWDWIHXSPCOKZ-UHFFFAOYSA-N,C18H36O,268.5,268.2766158,6.9,17.1,220,0,0,1,12,19,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-PROPANEDIOL, 3-(OCTADECYLOXY)-",000544-62-7,3681,"3-octadecoxypropane-1,2-diol",CCCCCCCCCCCCCCCCCCOCC(CO)O,"InChI=1S/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3",OGBUMNBNEWYMNJ-UHFFFAOYSA-N,C21H44O3,344.6,344.3290453,7.6,49.7,221,0,2,3,20,24,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CERIUM OXIDE (CE2O3),001345-13-7,11099499,oxo(oxoceriooxy)cerium,O=[Ce]O[Ce]=O,InChI=1S/2Ce.3O,BMMGVYCKOGBVEV-UHFFFAOYSA-N,Ce2O3,328.23,327.79564,,43.4,34,0,0,3,0,5,,3730 °C,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"OCTANE, 1-(ETHYLTHIO)-",003698-94-0,77288,1-ethylsulfanyloctane,CCCCCCCCSCC,"InChI=1S/C10H22S/c1-3-5-6-7-8-9-10-11-4-2/h3-10H2,1-2H3",WAITXWGCJQLPGH-UHFFFAOYSA-N,C10H22S,174.35,174.1442219,4.7,25.3,61,0,0,1,8,11,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, tetrabutyl-",004559-86-8,20691,"1,1,3,3-tetrabutylurea",CCCCN(CCCC)C(=O)N(CCCC)CCCC,"InChI=1S/C17H36N2O/c1-5-9-13-18(14-10-6-2)17(20)19(15-11-7-3)16-12-8-4/h5-16H2,1-4H3",SNDGLCYYBKJSOT-UHFFFAOYSA-N,C17H36N2O,284.5,284.2827638,4.7,23.6,193,0,0,1,12,20,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"DIPHOSPHORIC ACID, ZINC SALT (1:2)",007446-26-6,62641,dizinc;phosphonato phosphate,[O-]P(=O)([O-])OP(=O)([O-])[O-].[Zn+2].[Zn+2],"InChI=1S/H4O7P2.2Zn/c1-8(2,3)7-9(4,5)6;;/h(H2,1,2,3)(H2,4,5,6);;/q;2*+2/p-4",OMSYGYSPFZQFFP-UHFFFAOYSA-J,O7P2Zn2,304.7,303.7671,,136,124,0,0,7,0,11,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 2-METHYL-, 2,4-HEXADIENYL ESTER",016491-24-0,86015,"hexa-2,4-dienyl 2-methylpropanoate",CC=CC=CCOC(=O)C(C)C,"InChI=1S/C10H16O2/c1-4-5-6-7-8-12-10(11)9(2)3/h4-7,9H,8H2,1-3H3",CVYBRMSQMLJGOI-UHFFFAOYSA-N,C10H16O2,168.23,168.1150297,2.7,26.3,178,0,0,2,5,12,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-TETRADECYL-.OMEGA.-HYDROXY-",027306-79-2,16491,2-tetradecoxyethanol,CCCCCCCCCCCCCCOCCO,"InChI=1S/C16H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17/h17H,2-16H2,1H3",QHERURXKGFABNZ-UHFFFAOYSA-N,C16H34O2,258.44,258.2558803,6.2,29.5,137,0,1,2,15,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"7-NONEN-2-OL, 4,8-DIMETHYL-",040596-76-7,162418,"4,8-dimethylnon-7-en-2-ol",CC(CCC=C(C)C)CC(C)O,"InChI=1S/C11H22O/c1-9(2)6-5-7-10(3)8-11(4)12/h6,10-12H,5,7-8H2,1-4H3",CUIWFRIESJGBPX-UHFFFAOYSA-N,C11H22O,170.29,170.1670653,3.6,20.2,134,0,1,1,5,12,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propanoic acid, 3-(dodecylthio)-, oxybis(2,1-ethanediyloxy-2,1-ethanediyl) est",064253-30-1,93351,2-[2-[2-[2-(3-dodecylsulfanylpropanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 3-dodecylsulfanylpropanoate,CCCCCCCCCCCCSCCC(=O)OCCOCCOCCOCCOC(=O)CCSCCCCCCCCCCCC,"InChI=1S/C38H74O7S2/c1-3-5-7-9-11-13-15-17-19-21-33-46-35-23-37(39)44-31-29-42-27-25-41-26-28-43-30-32-45-38(40)24-36-47-34-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3",NMWLFOFCBZILSO-UHFFFAOYSA-N,C38H74O7S2,707.1,706.487597,11.9,131,587,0,0,9,42,47,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,12-TRIDECADIENENITRILE",134769-33-8,3086639,"trideca-3,12-dienenitrile",C=CCCCCCCCC=CCC#N,"InChI=1S/C13H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2,10-11H,1,3-9,12H2",DBWSGRFEGVADLQ-UHFFFAOYSA-N,C13H21N,191.31,191.1673997,4.7,23.8,195,0,0,1,9,14,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,12-TRIDECADIENENITRILE",134849-13-1,6450539,"(2E)-trideca-2,12-dienenitrile",C=CCCCCCCCC/C=C/C#N,"InChI=1S/C13H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2,11-12H,1,3-10H2/b12-11+",HATXGQLRJIOVRF-VAWYXSNFSA-N,C13H21N,191.31,191.1673997,5.1,23.8,195,0,0,1,9,14,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ZINC DITHIOPHOSPHATE (ZINC ISODECYL PHOSPHORODITHIOATE),025103-54-2,32791,zinc bis(bis(8-methylnonoxy)-sulfanylidene-sulfido-lambda5-phosphane),CC(C)CCCCCCCOP(=S)(OCCCCCCCC(C)C)[S-].CC(C)CCCCCCCOP(=S)(OCCCCCCCC(C)C)[S-].[Zn+2],"InChI=1S/2C20H43O2PS2.Zn/c2*1-19(2)15-11-7-5-9-13-17-21-23(24,25)22-18-14-10-6-8-12-16-20(3)4;/h2*19-20H,5-18H2,1-4H3,(H,24,25);/q;;+2/p-2",JTRDOXTXNZMWMG-UHFFFAOYSA-L,C40H84O4P2S4Zn,884.7,882.401912,,103,299,0,0,8,36,51,"280 °F, open cup, 120 min.",,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ZINC DIBUTYL DITHIOCARBAMATE DIBUTYLAMINE COMPLEX,035884-05-0,169723,"zinc;N-butylbutan-1-amine;bis(N,N-dibutylcarbamodithioate)",CCCCNCCCC.CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Zn+2],"InChI=1S/2C9H19NS2.C8H19N.Zn/c2*1-3-5-7-10(9(11)12)8-6-4-2;1-3-5-7-9-8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);9H,3-8H2,1-2H3;/q;;;+2/p-2",HCXJRWZYDUTGOV-UHFFFAOYSA-L,C26H55N3S4Zn,603.4,601.257025,,84.7,150,0,1,5,18,34,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"(2E,4E,7S)-3,7,11-TRIMETHYL-2,4-DODECADIENOIC ACID 2-PROPYNYL ESTER",065733-20-2,18772461,"prop-2-ynyl (2E,4E,7S)-3,7,11-trimethyldodeca-2,4-dienoate",C[C@@H](CCCC(C)C)C/C=C/C(=C/C(=O)OCC#C)/C,"InChI=1S/C18H28O2/c1-6-13-20-18(19)14-17(5)12-8-11-16(4)10-7-9-15(2)3/h1,8,12,14-16H,7,9-11,13H2,2-5H3/b12-8+,17-14+/t16-/m0/s1",FZRBKIRIBLNOAM-PBGROSLGSA-N,C18H28O2,276.4,276.2089301,6,26.3,379,0,0,2,10,20,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
COPPER METAL,007440-50-8,23978,copper,[Cu],InChI=1S/Cu,RYGMFSIKBFXOCR-UHFFFAOYSA-N,Cu,63.55,62.929597,,0,0,0,0,0,0,1,,"4703 °F at 760 mmHg (NIOSH, 2024)",1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
(S)-METHOPRENE,065733-16-6,1711973,"propan-2-yl (2E,4E,7S)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate",C[C@@H](CCCC(C)(C)OC)C/C=C/C(=C/C(=O)OC(C)C)/C,"InChI=1S/C19H34O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8,11,14-16H,9-10,12-13H2,1-7H3/b11-8+,17-14+/t16-/m1/s1",NFGXHKASABOEEW-GYMWBFJFSA-N,C19H34O3,310.5,310.2507949,5.5,35.5,378,0,0,3,11,22,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
COPPER(II) OXIDE,001317-38-0,164827,copper oxygen(2-),[O-2].[Cu+2],InChI=1S/Cu.O/q+2;-2,KKCXRELNMOYFLS-UHFFFAOYSA-N,CuO,79.55,78.924512,,1,0,0,0,1,0,2,,Decomposes at 1026,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
SILVER IODIDE,007783-96-2,24563,iodosilver,[Ag]I,InChI=1S/Ag.HI/h;1H/q+1;/p-1,MSFPLIAKTHOCQP-UHFFFAOYSA-M,AgI,234.773,233.80956,,0,2,0,0,0,0,2,,1506 °C,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ZINC OXIDE,001314-13-2,3007857,zinc oxygen(2-),[O-2].[Zn+2],InChI=1S/O.Zn/q-2;+2,RNWHGQJWIACOKP-UHFFFAOYSA-N,OZn,81.4,79.924056,,1,0,0,0,1,0,2,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"NEODECANOIC ACID, ETHENYL ESTER",051000-52-3,65294,"ethenyl 2,2-dimethyloctanoate",CCCCCCC(C)(C)C(=O)OC=C,"InChI=1S/C12H22O2/c1-5-7-8-9-10-12(3,4)11(13)14-6-2/h6H,2,5,7-10H2,1,3-4H3",ZHXNRJQVYHYIMK-UHFFFAOYSA-N,C12H22O2,198.3,198.1619799,4.5,26.3,183,0,0,2,8,14,"greater than 175 °F (USCG, 1999)",,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-PROPANAMINIUM, 3-(D-GLUCONOYLAMINO)-N-(2-HYDROXYETHYL)-N,N-DIMETHYL-, CHLORI",051812-80-7,40138,"2-hydroxyethyl-dimethyl-[3-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl]azanium chloride",C[N+](C)(CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CCO.[Cl-],"InChI=1S/C13H28N2O7.ClH/c1-15(2,6-7-16)5-3-4-14-13(22)12(21)11(20)10(19)9(18)8-17;/h9-12,16-21H,3-8H2,1-2H3;1H/t9-,10-,11+,12-;/m1./s1",FVEWVVDBRQZLSJ-QTWKXRMISA-N,C13H29ClN2O7,360.83,360.166329,,150,328,0,7,8,11,23,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-BUTENEDIOIC ACID (Z)-, DIOCTYL ESTER",002915-53-9,6433353,dioctyl (Z)-but-2-enedioate,CCCCCCCCOC(=O)/C=C\C(=O)OCCCCCCCC,"InChI=1S/C20H36O4/c1-3-5-7-9-11-13-17-23-19(21)15-16-20(22)24-18-14-12-10-8-6-4-2/h15-16H,3-14,17-18H2,1-2H3/b16-15-",TVWTZAGVNBPXHU-NXVVXOECSA-N,C20H36O4,340.5,340.2613596,7,52.6,305,0,0,4,18,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
MOLYBDENUM ZINC OXIDE (MO2ZN3O9),022914-58-5,161404,trizinc;molybdenum;nonakis(oxygen(2-)),[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Zn+2].[Zn+2].[Zn+2].[Mo].[Mo],InChI=1S/2Mo.9O.3Zn/q;;9*-2;3*+2,SDGPQJIWTGCSRL-UHFFFAOYSA-N,Mo2O9Zn3-12,532,531.54863,,9,0,-12,0,9,0,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-DECANONE,000693-54-9,12741,decan-2-one,CCCCCCCCC(=O)C,"InChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3",ZAJNGDIORYACQU-UHFFFAOYSA-N,C10H20O,156.26,156.1514153,3.7,17.1,97,0,0,1,7,11,[ChemIDplus] 71 °C,210.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIPALMITIN,000555-44-2,11147,"2,3-di(hexadecanoyloxy)propyl hexadecanoate",CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,"InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3",PVNIQBQSYATKKL-UHFFFAOYSA-N,C51H98O6,807.3,806.7363408,21.9,78.9,798,0,0,6,50,57,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-DIPALMITIN",000502-52-3,68149,(3-hexadecanoyloxy-2-hydroxypropyl) hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)O,"InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-33(36)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3",GFAZGHREJPXDMH-UHFFFAOYSA-N,C35H68O5,568.9,568.5066753,14,72.8,490,0,1,5,34,40,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DIETHYL SEBACATE,000110-40-7,8049,diethyl decanedioate,CCOC(=O)CCCCCCCCC(=O)OCC,"InChI=1S/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3",ONKUXPIBXRRIDU-UHFFFAOYSA-N,C14H26O4,258.35,258.1831093,3.5,52.6,202,0,0,4,13,18,,302.00 to 305.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIMETHYLOLPROPANE TRIMETHACRYLATE,003290-92-4,18689,"2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate",CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,"InChI=1S/C18H26O6/c1-8-18(9-22-15(19)12(2)3,10-23-16(20)13(4)5)11-24-17(21)14(6)7/h2,4,6,8-11H2,1,3,5,7H3",OKKRPWIIYQTPQF-UHFFFAOYSA-N,C18H26O6,338.4,338.1729385,3.8,78.9,470,0,0,6,13,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ZINC ALUMINATE,037275-76-6,166598,dialuminum;dizinc;pentakis(oxygen(2-)),[O-2].[O-2].[O-2].[O-2].[O-2].[Al+3].[Al+3].[Zn+2].[Zn+2],InChI=1S/2Al.5O.2Zn/q2*+3;5*-2;2*+2,JAONJTDQXUSBGG-UHFFFAOYSA-N,Al2O5Zn2,264.7,263.79283,,5,0,0,0,5,0,9,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-DODECANONE,006175-49-1,22556,dodecan-2-one,CCCCCCCCCCC(=O)C,"InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-11H2,1-2H3",LSKONYYRONEBKA-UHFFFAOYSA-N,C12H24O,184.32,184.1827154,4.6,17.1,118,0,0,1,9,13,,245.00 to 246.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 2-METHYL-, 1-ETHENYL-1,5-DIMETHYL-4-HEXENYL ESTER",000078-35-3,6532,"3,7-dimethylocta-1,6-dien-3-yl 2-methylpropanoate",CC(C)C(=O)OC(C)(CCC=C(C)C)C=C,"InChI=1S/C14H24O2/c1-7-14(6,10-8-9-11(2)3)16-13(15)12(4)5/h7,9,12H,1,8,10H2,2-6H3",JZIARAQCPRDGAC-UHFFFAOYSA-N,C14H24O2,224.34,224.17763,4.3,26.3,272,0,0,2,7,16,,228.00 to 230.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANOIC ACID, 1-ETHENYL-1,5-DIMETHYL-4-HEXENYL ESTER",000078-36-4,62321,"3,7-dimethylocta-1,6-dien-3-yl butanoate",CCCC(=O)OC(C)(CCC=C(C)C)C=C,"InChI=1S/C14H24O2/c1-6-9-13(15)16-14(5,7-2)11-8-10-12(3)4/h7,10H,2,6,8-9,11H2,1,3-5H3",FHLGUOHLUFIAAA-UHFFFAOYSA-N,C14H24O2,224.34,224.17763,4.1,26.3,262,0,0,2,8,16,,220.00 to 222.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-NONANOL, 2,6,8-TRIMETHYL-",000123-17-1,61056,"2,6,8-trimethylnonan-4-ol",CC(C)CC(C)CC(CC(C)C)O,"InChI=1S/C12H26O/c1-9(2)6-11(5)8-12(13)7-10(3)4/h9-13H,6-8H2,1-5H3",LFEHSRSSAGQWNI-UHFFFAOYSA-N,C12H26O,186.33,186.1983654,4.3,20.2,118,0,1,1,6,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, NONYL ESTER",000143-13-5,8918,nonyl acetate,CCCCCCCCCOC(=O)C,"InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3",GJQIMXVRFNLMTB-UHFFFAOYSA-N,C11H22O2,186.29,186.1619799,4,26.3,121,0,0,2,9,13,,"406.4 to 413.6 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, PROPANOATE",000144-39-8,61098,"3,7-dimethylocta-1,6-dien-3-yl propanoate",CCC(=O)OC(C)(CCC=C(C)C)C=C,"InChI=1S/C13H22O2/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3",WAQIIHCCEMGYKP-UHFFFAOYSA-N,C13H22O2,210.31,210.1619799,3.8,26.3,249,0,0,2,7,15,,115.00 °C. @ 10.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-BUTENEDIOIC ACID (Z)-, DIPROPYL ESTER",002432-63-5,5271567,dipropyl (Z)-but-2-enedioate,CCCOC(=O)/C=C\C(=O)OCCC,"InChI=1S/C10H16O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-",DSTWFRCNXMNXTR-WAYWQWQTSA-N,C10H16O4,200.23,200.104859,2,52.6,186,0,0,4,8,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANOIC ACID, 2-METHYL-, 3-HEXENYL ESTER",010094-41-4,5365069,[(Z)-hex-3-enyl] 2-methylbutanoate,CC/C=C\CCOC(=O)C(C)CC,"InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-",JKKGTSUICJWEKB-SREVYHEPSA-N,C11H20O2,184.27,184.1463299,3.3,26.3,161,0,0,2,7,13,,95.00 °C. @ 30.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-UNDECANONE, 2-METHYL-",019594-40-2,246924,2-methylundecan-4-one,CCCCCCCC(=O)CC(C)C,"InChI=1S/C12H24O/c1-4-5-6-7-8-9-12(13)10-11(2)3/h11H,4-10H2,1-3H3",IEBAJFDSHJYDCK-UHFFFAOYSA-N,C12H24O,184.32,184.1827154,4.4,17.1,127,0,0,1,8,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"7-OCTEN-2-OL, 2,6-DIMETHYL-, ACETATE",053767-93-4,103826,"2,6-dimethyloct-7-en-2-yl acetate",CC(CCCC(C)(C)OC(=O)C)C=C,"InChI=1S/C12H22O2/c1-6-10(2)8-7-9-12(4,5)14-11(3)13/h6,10H,1,7-9H2,2-5H3",BEARMGATPGLSKG-UHFFFAOYSA-N,C12H22O2,198.3,198.1619799,3.4,26.3,194,0,0,2,7,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-HEXENOIC ACID, 3-HEXENYL ESTER, (Z,Z)-",061444-38-0,6435882,[(Z)-hex-3-enyl] (Z)-hex-3-enoate,CC/C=C\CCOC(=O)C/C=C\CC,"InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5-8H,3-4,9-11H2,1-2H3/b7-5-,8-6-",UZJQQWFHPLYECS-SFECMWDFSA-N,C12H20O2,196.29,196.1463299,3.3,26.3,192,0,0,2,8,14,,60.00 °C. @ 0.50 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,6-NONADIENENITRILE, 3,7-DIMETHYL-",061792-11-8,112446,"3,7-dimethylnona-2,6-dienenitrile",CCC(=CCCC(=CC#N)C)C,"InChI=1S/C11H17N/c1-4-10(2)6-5-7-11(3)8-9-12/h6,8H,4-5,7H2,1-3H3",DHJVLXVXNFUSMU-UHFFFAOYSA-N,C11H17N,163.26,163.1360995,3.7,23.8,225,0,0,1,4,12,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,6-NONADIEN-3-OL, 3,7-DIMETHYL-, ACETATE",061931-80-4,43851,"3,7-dimethylnona-1,6-dien-3-yl acetate",CCC(=CCCC(C)(C=C)OC(=O)C)C,"InChI=1S/C13H22O2/c1-6-11(3)9-8-10-13(5,7-2)15-12(4)14/h7,9H,2,6,8,10H2,1,3-5H3",IVSZEHYDOLAREK-UHFFFAOYSA-N,C13H22O2,210.31,210.1619799,3.7,26.3,253,0,0,2,7,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
AMMONIUM FERRIC PROPYLENEDIAMINETETRAACETIC ACID,111687-36-6,159534,azanium;2-[3-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;iron(3+),C(CN(CC(=O)[O-])CC(=O)[O-])CN(CC(=O)[O-])CC(=O)[O-].[NH4+].[Fe+3],"InChI=1S/C11H18N2O8.Fe.H3N/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21;;/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21);;1H3/q;+3;/p-3",HXPRIPOCSQBZIN-UHFFFAOYSA-K,C11H18FeN3O8,376.12,376.044325,,168,308,0,1,10,8,23,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"GLYPHOSATE, AMMONIUM SALT",114370-14-8,11615303,azane;2-(phosphonomethylamino)acetic acid,C(C(=O)O)NCP(=O)(O)O.N,"InChI=1S/C3H8NO5P.H3N/c5-3(6)1-4-2-10(7,8)9;/h4H,1-2H2,(H,5,6)(H2,7,8,9);1H3",PDYXIVPKOMYDOK-UHFFFAOYSA-N,C3H11N2O5P,186.1,186.0405585,,108,162,0,5,7,4,11,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
N-(PHOSPHONOMETHYL)GLYCINE COMPD. WITH N-METHYLMETHANAMINE,034494-04-7,13208144,N-methylmethanamine;2-(phosphonomethylamino)acetic acid,CNC.C(C(=O)O)NCP(=O)(O)O,"InChI=1S/C3H8NO5P.C2H7N/c5-3(6)1-4-2-10(7,8)9;1-3-2/h4H,1-2H2,(H,5,6)(H2,7,8,9);3H,1-2H3",VDCHTAFVUAPYGO-UHFFFAOYSA-N,C5H15N2O5P,214.16,214.0718586,,119,165,0,5,7,4,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-PENTANOL, 2-METHYL-, ACETATE",007789-99-3,24625,2-methylpentyl acetate,CCCC(C)COC(=O)C,"InChI=1S/C8H16O2/c1-4-5-7(2)6-10-8(3)9/h7H,4-6H2,1-3H3",UZTVUHTZGGZFCI-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,2.7,26.3,99,0,0,2,5,10,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
METHYL CAPRATE,000110-42-9,8050,methyl decanoate,CCCCCCCCCC(=O)OC,"InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3",YRHYCMZPEVDGFQ-UHFFFAOYSA-N,C11H22O2,186.29,186.1619799,4.7,26.3,121,0,0,2,9,13,,224 °C @ 760 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
N-(PHOSPHONOMETHYL)GLYCINE POTASSIUM SALT,070901-12-1,23716553,potassium (carboxymethylamino)methyl-hydroxyphosphinate,C(C(=O)O)NCP(=O)(O)[O-].[K+],"InChI=1S/C3H8NO5P.K/c5-3(6)1-4-2-10(7,8)9;/h4H,1-2H2,(H,5,6)(H2,7,8,9);/q;+1/p-1",LIOPHZNMBKHGAV-UHFFFAOYSA-M,C3H7KNO5P,207.16,206.9698908,,110,173,0,3,6,4,11,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,6-OCTADIENENITRILE, 3,7-DIMETHYL-, (E)-",005585-39-7,1551246,"(2E)-3,7-dimethylocta-2,6-dienenitrile",CC(=CCC/C(=C/C#N)/C)C,"InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3/b10-7+",HLCSDJLATUNSSI-JXMROGBWSA-N,C10H15N,149.23,149.1204495,3.3,23.8,208,0,0,1,3,11,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DIBUTYL ADIPATE,000105-99-7,7784,dibutyl hexanedioate,CCCCOC(=O)CCCCC(=O)OCCCC,"InChI=1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3",XTJFFFGAUHQWII-UHFFFAOYSA-N,C14H26O4,258.35,258.1831093,3.1,52.6,202,0,0,4,13,18,113 °C c.c.,183 °C,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
GLYPHOSPHATE ISOPROPYLAMINE SALT,038641-94-0,38078,2-(phosphonomethylamino)acetic acid;propan-2-amine,CC(C)N.C(C(=O)O)NCP(=O)(O)O,"InChI=1S/C3H8NO5P.C3H9N/c5-3(6)1-4-2-10(7,8)9;1-3(2)4/h4H,1-2H2,(H,5,6)(H2,7,8,9);3H,4H2,1-2H3",ZEKANFGSDXODPD-UHFFFAOYSA-N,C6H17N2O5P,228.18,228.0875086,,133,173,0,5,7,4,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,12-DODECANEDIOL",005675-51-4,79758,"dodecane-1,12-diol",C(CCCCCCO)CCCCCO,"InChI=1S/C12H26O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h13-14H,1-12H2",GHLKSLMMWAKNBM-UHFFFAOYSA-N,C12H26O2,202.33,202.1932801,4.1,40.5,82,0,2,2,11,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM OLEATE,000143-19-1,23665730,sodium (Z)-octadec-9-enoate,CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Na+],"InChI=1S/C18H34O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1/b10-9-;",BCKXLBQYZLBQEK-KVVVOXFISA-M,C18H33NaO2,304.4,304.2378246,,40.1,239,0,0,2,15,21,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DISTEARYL THIODIPROPIONATE,000693-36-7,12738,octadecyl 3-(3-octadecoxy-3-oxopropyl)sulfanylpropanoate,CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCCCC,"InChI=1S/C42H82O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-45-41(43)35-39-47-40-36-42(44)46-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3",PWWSSIYVTQUJQQ-UHFFFAOYSA-N,C42H82O4S,683.2,682.5933823,18.2,77.9,574,0,0,5,42,47,,BP: 250 °C at 1 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM CAPRATE,001002-62-6,4457968,sodium decanoate,CCCCCCCCCC(=O)[O-].[Na+],"InChI=1S/C10H20O2.Na/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);/q;+1/p-1",FIWQZURFGYXCEO-UHFFFAOYSA-M,C10H19NaO2,194.25,194.1282741,,40.1,115,0,0,2,8,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM UNDECYLENATE,006159-41-7,23692638,potassium undec-10-enoate,C=CCCCCCCCCC(=O)[O-].[K+],"InChI=1S/C11H20O2.K/c1-2-3-4-5-6-7-8-9-10-11(12)13;/h2H,1,3-10H2,(H,12,13);/q;+1/p-1",DEXGNWRKHMRIRB-UHFFFAOYSA-M,C11H19KO2,222.37,222.1022113,,40.1,146,0,0,2,9,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DIALLYLDIMETHYLAMMONIUM CHLORIDE,007398-69-8,33286,dimethyl-bis(prop-2-enyl)azanium chloride,C[N+](C)(CC=C)CC=C.[Cl-],"InChI=1S/C8H16N.ClH/c1-5-7-9(3,4)8-6-2;/h5-6H,1-2,7-8H2,3-4H3;1H/q+1;/p-1",GQOKIYDTHHZSCJ-UHFFFAOYSA-M,C8H16ClN,161.67,161.0971272,,0,91,0,0,1,4,10,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, FORMATE",000115-99-1,61040,"3,7-dimethylocta-1,6-dien-3-yl formate",CC(=CCCC(C)(C=C)OC=O)C,"InChI=1S/C11H18O2/c1-5-11(4,13-9-12)8-6-7-10(2)3/h5,7,9H,1,6,8H2,2-4H3",JZOCDHMHLGUPFI-UHFFFAOYSA-N,C11H18O2,182.26,182.1306798,3.3,26.3,202,0,0,2,6,13,,100.00 to 103.00 °C. @ 10.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-BUTENEDIOIC ACID (E)-, IRON(2+) SALT (1:1)",000141-01-5,6433164,(E)-but-2-enedioate;iron(2+),C(=C/C(=O)[O-])\C(=O)[O-].[Fe+2],"InChI=1S/C4H4O4.Fe/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2/b2-1+;",PMVSDNDAUGGCCE-TYYBGVCCSA-L,C4H2FeO4,169.9,169.930244,,80.3,108,0,0,4,0,9,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"9-OCTADECENOIC ACID, 12-HYDROXY-, BUTYL ESTER, [R-(Z)]-",000151-13-3,5354175,"butyl (Z,12R)-12-hydroxyoctadec-9-enoate",CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OCCCC)O,"InChI=1S/C22H42O3/c1-3-5-7-14-17-21(23)18-15-12-10-8-9-11-13-16-19-22(24)25-20-6-4-2/h12,15,21,23H,3-11,13-14,16-20H2,1-2H3/b15-12-/t21-/m1/s1",HGWAKQDTQVDVRP-OKULMJQMSA-N,C22H42O3,354.6,354.3133952,7.3,46.5,312,0,1,3,19,25,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"HEXADECANE, 1-(ETHENYLOXY)-",000822-28-6,69971,1-ethenoxyhexadecane,CCCCCCCCCCCCCCCCOC=C,"InChI=1S/C18H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-4-2/h4H,2-3,5-18H2,1H3",UKDKWYQGLUUPBF-UHFFFAOYSA-N,C18H36O,268.5,268.2766158,8.6,9.2,165,0,0,1,16,19,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANEDIOIC ACID, BIS(1-METHYLETHYL) ESTER",000924-88-9,70213,dipropan-2-yl butanedioate,CC(C)OC(=O)CCC(=O)OC(C)C,"InChI=1S/C10H18O4/c1-7(2)13-9(11)5-6-10(12)14-8(3)4/h7-8H,5-6H2,1-4H3",YPLYFEUBZLLLIY-UHFFFAOYSA-N,C10H18O4,202.25,202.1205091,1.5,52.6,174,0,0,4,7,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-PROPENOIC ACID, 2-METHYL-, 1,5-PENTANEDIYL ESTER",013675-34-8,83645,5-(2-methylprop-2-enoyloxy)pentyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCCCCOC(=O)C(=C)C,"InChI=1S/C13H20O4/c1-10(2)12(14)16-8-6-5-7-9-17-13(15)11(3)4/h1,3,5-9H2,2,4H3",WNGDGLDJIWDQAB-UHFFFAOYSA-N,C13H20O4,240.29,240.1361591,3.6,52.6,275,0,0,4,10,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"POLY[OXY(METHYL-1,2-ETHANEDIYL)], .ALPHA.-(1-OXO-9-OCTADECENYL)-.OMEGA.-[(1-OX",026571-49-3,6441479,3-[(E)-octadec-9-enoyl]oxypropyl (E)-octadec-9-enoate,CCCCCCCC/C=C/CCCCCCCC(=O)OCCCOC(=O)CCCCCCC/C=C/CCCCCCCC,"InChI=1S/C39H72O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-38(40)42-36-33-37-43-39(41)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-37H2,1-2H3/b19-17+,20-18+",DAGUWHQPUZIHIC-XPWSMXQVSA-N,C39H72O4,605,604.5430608,15.3,52.6,585,0,0,4,36,43,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"N,N,N-TRIMETHYL-3-[(1-OXO-2-PROPENYL)AMINO]-1-PROPANAMINIUM CHLORIDE",045021-77-0,170750,trimethyl-[3-(prop-2-enoylamino)propyl]azanium chloride,C[N+](C)(C)CCCNC(=O)C=C.[Cl-],"InChI=1S/C9H18N2O.ClH/c1-5-9(12)10-7-6-8-11(2,3)4;/h5H,1,6-8H2,2-4H3;1H",OEIXGLMQZVLOQX-UHFFFAOYSA-N,C9H19ClN2O,206.71,206.1185909,,29.1,158,0,1,2,5,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ALUMINUM GALLIUM MAGNESIUM OXIDE,059871-73-7,90473798,aluminum;gallium;magnesium;tetrakis(oxygen(2-)),[O-2].[O-2].[O-2].[O-2].[Mg+2].[Al+3].[Ga+3],InChI=1S/Al.Ga.Mg.4O/q2*+3;+2;4*-2,CUTMNLVLBCXFKH-UHFFFAOYSA-N,AlGaMgO4,185.01,183.87181,,4,0,0,0,4,0,7,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ISONONANOIC ACID, COMPD. WITH 2-AMINOETHANOL (1:1)",067801-50-7,163151,2-aminoethanol;7-methyloctanoic acid,CC(C)CCCCCC(=O)O.C(CO)N,"InChI=1S/C9H18O2.C2H7NO/c1-8(2)6-4-3-5-7-9(10)11;3-1-2-4/h8H,3-7H2,1-2H3,(H,10,11);4H,1-3H2",BHOXNOVBYRWXGV-UHFFFAOYSA-N,C11H25NO3,219.32,219.1834437,,83.6,118,0,3,4,7,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"NEODECANOIC ACID, CERIUM(3+) SALT",068084-49-1,106564,"cerium(3+);tris(7,7-dimethyloctanoate)",CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Ce+3],"InChI=1S/3C10H20O2.Ce/c3*1-10(2,3)8-6-4-5-7-9(11)12;/h3*4-8H2,1-3H3,(H,11,12);/q;;;+3/p-3",FGWBAWJNMYHXMA-UHFFFAOYSA-K,C30H57CeO6,653.9,653.32096,,120,128,0,0,6,15,37,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHONIC ACID, [IMINOBIS(2,1-ETHANEDIYLIMINOMETHYLENE)]BIS-, N,N-BIS(PHOSPHO",068399-68-8,90659401,sodium [2-[2-[bis(phosphonomethyl)amino]ethylamino]ethyl-(phosphonomethyl)amino]methylphosphonic acid,C(CN(CP(=O)(O)O)CP(=O)(O)O)NCCN(CP(=O)(O)O)CP(=O)(O)O.[Na+],"InChI=1S/C8H25N3O12P4.Na/c12-24(13,14)5-10(6-25(15,16)17)3-1-9-2-4-11(7-26(18,19)20)8-27(21,22)23;/h9H,1-8H2,(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)(H2,21,22,23);/q;+1",PQYKVMYEZRFIKZ-UHFFFAOYSA-N,C8H25N3NaO12P4+,502.18,502.0286405,,249,535,1,9,15,14,28,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPYL (2S)-2-(1,1-DIMETHYLPROPOXY)-PROPANOATE",319002-92-1,16063805,propyl (2S)-2-(2-methylbutan-2-yloxy)propanoate,CCCOC(=O)[C@H](C)OC(C)(C)CC,"InChI=1S/C11H22O3/c1-6-8-13-10(12)9(3)14-11(4,5)7-2/h9H,6-8H2,1-5H3/t9-/m0/s1",KPUAQAYQMYWKBV-VIFPVBQESA-N,C11H22O3,202.29,202.1568946,2.8,35.5,175,0,0,3,7,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM IMINODIACETATE,00000z-0052,18769479,dipotassium;2-(carboxylatomethylamino)acetate,C(C(=O)[O-])NCC(=O)[O-].[K+].[K+],"InChI=1S/C4H7NO4.2K/c6-3(7)1-5-2-4(8)9;;/h5H,1-2H2,(H,6,7)(H,8,9);;/q;2*+1/p-2",XEQIERZCOHTONL-UHFFFAOYSA-L,C4H5K2NO4,209.28,208.9492706,,92.3,96,0,1,5,2,11,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"MANGANESE, BIS(2-HYDROXYPROPANOATO-O1,O2)-",074051-88-0,153528,bis(2-hydroxypropanoate);manganese(2+),CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Mn+2],"InChI=1S/2C3H6O3.Mn/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2",KSNGEYQWLMRSIR-UHFFFAOYSA-L,C6H10MnO6,233.08,232.985781,,121,53,0,2,6,0,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CHROMIC TRIHYDROXIDE/CHROMIC (III) ACID,001308-14-1,14787,chromium;trihydrate,O.O.O.[Cr],InChI=1S/Cr.3H2O/h;3*1H2,LXMQZGGLHVSEBA-UHFFFAOYSA-N,CrH6O3,106.042,105.972199,,3,3,0,3,3,0,4,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,1-DICHLORO-1-FLUOROETHANE",001717-00-6,15586,"1,1-dichloro-1-fluoroethane",CC(F)(Cl)Cl,"InChI=1S/C2H3Cl2F/c1-2(3,4)5/h1H3",FRCHKSNAZZFGCA-UHFFFAOYSA-N,C2H3Cl2F,116.95,115.9595836,2.2,0,34,0,0,1,0,5,,32 °C,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
8-PENTADECANONE,000818-23-5,13162,pentadecan-8-one,CCCCCCCC(=O)CCCCCCC,"InChI=1S/C15H30O/c1-3-5-7-9-11-13-15(16)14-12-10-8-6-4-2/h3-14H2,1-2H3",PQYGSSYFJIJDFK-UHFFFAOYSA-N,C15H30O,226.4,226.2296656,6.2,17.1,136,0,0,1,12,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TITANIUM (III) OXIDE,001344-54-3,123111,oxo(oxotitaniooxy)titanium,O=[Ti]O[Ti]=O,InChI=1S/3O.2Ti,GQUJEMVIKWQAEH-UHFFFAOYSA-N,O3Ti2,143.73,143.880625,,43.4,34,0,0,3,0,5,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"SILICID ACID (H4SIO4),TRIS(1,1-DJIMETHYLPROPYLl) ESTER",017906-35-3,3702849,hydroxy-tris(2-methylbutan-2-yloxy)silane,CCC(C)(C)O[Si](O)(OC(C)(C)CC)OC(C)(C)CC,"InChI=1S/C15H34O4Si/c1-10-13(4,5)17-20(16,18-14(6,7)11-2)19-15(8,9)12-3/h16H,10-12H2,1-9H3",ORJFXWYTRPGGRK-UHFFFAOYSA-N,C15H34O4Si,306.51,306.2226361,,47.9,255,0,1,4,9,20,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DIHEPTYL SULPHIDE,000629-65-2,69422,1-heptylsulfanylheptane,CCCCCCCSCCCCCCC,"InChI=1S/C14H30S/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-14H2,1-2H3",LEMIDOZYVQXGLI-UHFFFAOYSA-N,C14H30S,230.46,230.2068221,6.6,25.3,89,0,0,1,12,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"9-OCTADECENOIC ACID, 12-(ACETYLOXY)-, 1,2,3-PROPANETRIYL ESTER, STEREOISOMER",000101-34-8,22833298,"2,3-bis[[(Z,12R)-12-acetyloxyoctadec-9-enoyl]oxy]propyl (Z,12R)-12-acetyloxyoctadec-9-enoate",CCCCCC[C@@H](OC(=O)C)C/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\C[C@H](OC(=O)C)CCCCCC)COC(=O)CCCCCCC/C=C\C[C@H](OC(=O)C)CCCCCC,"InChI=1S/C63H110O12/c1-7-10-13-34-43-57(72-54(4)64)46-37-28-22-16-19-25-31-40-49-61(67)70-52-60(75-63(69)51-42-33-27-21-18-24-30-39-48-59(74-56(6)66)45-36-15-12-9-3)53-71-62(68)50-41-32-26-20-17-23-29-38-47-58(73-55(5)65)44-35-14-11-8-2/h28-30,37-39,57-60H,7-27,31-36,40-53H2,1-6H3/b37-28-,38-29-,39-30-/t57-,58-,59-/m1/s1",RIXCYAQOGLLEIU-UINBUCCLSA-N,C63H110O12,1059.5,1058.799729,19.5,158,1430,0,0,12,59,75,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-UNDECANOL, 7-ETHYL-2-METHYL-",000103-20-8,97948,7-ethyl-2-methylundecan-4-ol,CCCCC(CC)CCC(CC(C)C)O,"InChI=1S/C14H30O/c1-5-7-8-13(6-2)9-10-14(15)11-12(3)4/h12-15H,5-11H2,1-4H3",JKKBSZCOVNFRCQ-UHFFFAOYSA-N,C14H30O,214.39,214.2296656,5.5,20.2,131,0,1,1,9,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"HEXASILOXANE, TETRADECAMETHYL-",000107-52-8,7875,[dimethyl(trimethylsilyloxy)silyl]oxy-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilane,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,"InChI=1S/C14H42O5Si6/c1-20(2,3)15-22(7,8)17-24(11,12)19-25(13,14)18-23(9,10)16-21(4,5)6/h1-14H3",ADANNTOYRVPQLJ-UHFFFAOYSA-N,C14H42O5Si6,458.99,458.1647836,,46.2,400,0,0,5,10,25,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"OCTADECANOIC ACID, 1-METHYLETHYL ESTER",000112-10-7,8162,propan-2-yl octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OC(C)C,"InChI=1S/C21H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h20H,4-19H2,1-3H3",ZPWFUIUNWDIYCJ-UHFFFAOYSA-N,C21H42O2,326.6,326.3184806,9.3,26.3,248,0,0,2,18,23,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
HEXADECANAMIDE,000629-54-9,69421,hexadecanamide,CCCCCCCCCCCCCCCC(=O)N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",HSEMFIZWXHQJAE-UHFFFAOYSA-N,C16H33NO,255.44,255.2562147,5.7,43.1,180,0,1,1,14,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"NONANEDIOIC ACID, DIBUTYL ESTER",002917-73-9,18016,dibutyl nonanedioate,CCCCOC(=O)CCCCCCCC(=O)OCCCC,"InChI=1S/C17H32O4/c1-3-5-14-20-16(18)12-10-8-7-9-11-13-17(19)21-15-6-4-2/h3-15H2,1-2H3",RISLXYINQFKFRL-UHFFFAOYSA-N,C17H32O4,300.4,300.2300595,4.7,52.6,238,0,0,4,16,21,,336 °C,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-NONENAL, 2-PENTYL-",003021-89-4,5364551,(Z)-2-pentylnon-2-enal,CCCCCC/C=C(/CCCCC)\C=O,"InChI=1S/C14H26O/c1-3-5-7-8-10-12-14(13-15)11-9-6-4-2/h12-13H,3-11H2,1-2H3/b14-12-",VIKQYIINCNAGJW-OWBHPGMISA-N,C14H26O,210.36,210.1983654,5.6,17.1,170,0,0,1,10,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CARBAMODITHIOIC ACID, DIBUTYL-, METHYLENE ESTER",010254-57-6,82496,"dibutylcarbamothioylsulfanylmethyl N,N-dibutylcarbamodithioate",CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC,"InChI=1S/C19H38N2S4/c1-5-9-13-20(14-10-6-2)18(22)24-17-25-19(23)21(15-11-7-3)16-12-8-4/h5-17H2,1-4H3",LMODBLQHQHXPEI-UHFFFAOYSA-N,C19H38N2S4,422.8,422.1917839,7.4,121,302,0,0,4,16,25,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
COPPER PHOSPHIDE (CU3P),012019-57-7,159399,tricopper bis(phosphorus(3-)),[P-3].[P-3].[Cu+2].[Cu+2].[Cu+2],InChI=1S/3Cu.2P/q3*+2;2*-3,IIYRHYYIGFXMJX-UHFFFAOYSA-N,Cu3P2,252.59,252.73451,,0,0,0,0,2,0,5,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
PLATINUM HYDROXIDE (PT(OH)2),012135-23-8,82931,platinum;dihydrate,O.O.[Pt],InChI=1S/2H2O.Pt/h2*1H2;,FPJNQJHCHVUNTK-UHFFFAOYSA-N,H4O2Pt,231.11,230.985924,,2,2,0,2,2,0,3,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
RHODIUM IODIDE (RHI3),015492-38-3,4428348,triiodorhodium,[Rh](I)(I)I,InChI=1S/3HI.Rh/h3*1H;/q;;;+3/p-3,KXAHUXSHRWNTOD-UHFFFAOYSA-K,I3Rh,483.6189,483.6189,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"9-TETRADECEN-1-OL, ACETATE, (Z)-",016725-53-4,5364714,[(Z)-tetradec-9-enyl] acetate,CCCC/C=C\CCCCCCCCOC(=O)C,"InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h6-7H,3-5,8-15H2,1-2H3/b7-6-",XXPBOEBNDHAAQH-SREVYHEPSA-N,C16H30O2,254.41,254.2245802,5.9,26.3,209,0,0,2,13,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"9-OCTADECENOIC ACID (Z)-, CHROMIUM(3+) SALT",021178-63-2,6441429,chromium(3+);(Z)-octadec-9-enoate;bis((E)-octadec-9-enoate),CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Cr+3],"InChI=1S/3C18H34O2.Cr/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;;+3/p-3/b2*10-9+;10-9-;",YMZYRUGVHTYUBH-GHDDXJDYSA-K,C54H99CrO6,896.4,895.684671,,120,228,0,0,6,42,61,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHONIC ACID, OCTADECYL-, DIMETHYL ESTER",025371-54-4,117455,1-dimethoxyphosphoryloctadecane,CCCCCCCCCCCCCCCCCCP(=O)(OC)OC,"InChI=1S/C20H43O3P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22-2)23-3/h4-20H2,1-3H3",FPYLHOQPWCQAIJ-UHFFFAOYSA-N,C20H43O3P,362.5,362.2949822,8.3,35.5,287,0,0,3,19,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
FERRIC AMMONIUM FERROCYANIDE,025869-00-5,33190,azanium;iron(2+);iron(3+);hexacyanide,[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[NH4+].[Fe+2].[Fe+3],InChI=1S/6CN.2Fe.H3N/c6*1-2;;;/h;;;;;;;;1H3/q6*-1;+2;+3;/p+1,ILZWGESBVHGTRX-UHFFFAOYSA-O,C6H4Fe2N7,285.83,285.922689,,144,10,0,1,12,0,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"9-DODECEN-1-OL, (Z)-",035148-18-6,6431342,(Z)-dodec-9-en-1-ol,CC/C=C\CCCCCCCCO,"InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h3-4,13H,2,5-12H2,1H3/b4-3-",GJNNIRNIXNLOJP-ARJAWSKDSA-N,C12H24O,184.32,184.1827154,4.2,20.2,108,0,1,1,9,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"9-DODECEN-1-OL, (E)-",035237-62-8,5283277,(E)-dodec-9-en-1-ol,CC/C=C/CCCCCCCCO,"InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h3-4,13H,2,5-12H2,1H3/b4-3+",GJNNIRNIXNLOJP-ONEGZZNKSA-N,C12H24O,184.32,184.1827154,4.2,20.2,108,0,1,1,9,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"9-OCTADECENOIC ACID (Z)-, (METHYLSTANNYLIDYNE)TRIS(THIO-2,1-ETHANEDIYL) ESTER",059118-79-5,6436670,2-[methyl-bis[2-[(Z)-octadec-9-enoyl]oxyethylsulfanyl]stannyl]sulfanylethyl (Z)-octadec-9-enoate,CCCCCCCC/C=C\CCCCCCCC(=O)OCCS[Sn](SCCOC(=O)CCCCCCC/C=C\CCCCCCCC)(SCCOC(=O)CCCCCCC/C=C\CCCCCCCC)C,"InChI=1S/3C20H38O2S.CH3.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19-23;;/h3*9-10,23H,2-8,11-19H2,1H3;1H3;/q;;;;+3/p-3/b3*10-9-;;",ORBWXKGSLBJLGS-BQGNPDQISA-K,C61H114O6S3Sn,1158.5,1158.679957,,155,1100,0,0,9,60,71,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"10-OXA-4,6-DITHIA-5-STANNAHEXADECANOIC ACID, 5-BUTYL-12-ETHYL-5-[[3-[(2-ETHYLH",061241-05-2,108539,2-ethylhexyl 3-[butyl-bis[[3-(2-ethylhexoxy)-3-oxopropyl]sulfanyl]stannyl]sulfanylpropanoate,CCCCC(CC)COC(=O)CCS[Sn](CCCC)(SCCC(=O)OCC(CC)CCCC)SCCC(=O)OCC(CC)CCCC,"InChI=1S/3C11H22O2S.C4H9.Sn/c3*1-3-5-6-10(4-2)9-13-11(12)7-8-14;1-3-4-2;/h3*10,14H,3-9H2,1-2H3;1,3-4H2,2H3;/q;;;;+3/p-3",WMEIKWMPSNOSKG-UHFFFAOYSA-K,C37H72O6S3Sn,827.9,828.351306,,155,694,0,0,9,36,47,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-OCTENE, 8-(1-METHOXYETHOXY)-2,6-DIMETHYL-",068039-24-7,107057,"8-(1-methoxyethoxy)-2,6-dimethyloct-2-ene",CC(CCC=C(C)C)CCOC(C)OC,"InChI=1S/C13H26O2/c1-11(2)7-6-8-12(3)9-10-15-13(4)14-5/h7,12-13H,6,8-10H2,1-5H3",YSABATHBMSLQLP-UHFFFAOYSA-N,C13H26O2,214.34,214.1932801,4.1,18.5,171,0,0,2,8,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
GALLIUM HYDROXIDE,,10154045,gallium trihydroxide,[OH-].[OH-].[OH-].[Ga+3],InChI=1S/Ga.3H2O/h;3*1H2/q+3;;;/p-3,DNUARHPNFXVKEI-UHFFFAOYSA-K,GaH3O3,120.745,119.93379,,3,0,0,3,3,0,4,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ETHYL PERFLUOROBUTYL ETHER,813458-04-7,206000,"1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane",CCOC(C(C(C(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C6H5F9O/c1-2-16-6(14,15)4(9,10)3(7,8)5(11,12)13/h2H2,1H3",DFUYAWQUODQGFF-UHFFFAOYSA-N,C6H5F9O,264.09,264.0196682,3.7,9.2,243,0,0,10,4,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-ETHOXY-1,1,1,2,3,4,4,5,5,6,6,6-DODECAFLUORO-2-TRIFLUOROMETHYL-HEXANE",297730-93-9,2782436,"4-ethoxy-1,1,1,2,2,3,3,4,5,6,6,6-dodecafluoro-5-(trifluoromethyl)hexane",CCOC(C(C(F)(F)F)(C(F)(F)F)F)(C(C(C(F)(F)F)(F)F)(F)F)F,"InChI=1S/C9H5F15O/c1-2-25-6(15,3(10,7(16,17)18)8(19,20)21)4(11,12)5(13,14)9(22,23)24/h2H2,1H3",HHBBIOLEJRWIGU-UHFFFAOYSA-N,C9H5F15O,414.11,414.0100872,5.7,9.2,457,0,0,16,5,25,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,1,1,2,2,3,4,5,5,5-DECAFLUORO-3-METHOXY-4-(TRIFLUOROMETHYL)PENTANE",132182-92-4,14689855,"1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)pentane",COC(C(C(F)(F)F)(C(F)(F)F)F)(C(C(F)(F)F)(F)F)F,"InChI=1S/C7H3F13O/c1-21-4(11,3(9,10)7(18,19)20)2(8,5(12,13)14)6(15,16)17/h1H3",QKAGYSDHEJITFV-UHFFFAOYSA-N,C7H3F13O,350.08,349.9976308,4.6,9.2,361,0,0,14,3,21,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Valine, 3-mercapto-, DL-",52-66-4,4727,2-amino-3-methyl-3-sulfanylbutanoic acid,CC(C)(C(C(=O)O)N)S,"InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)",VVNCNSJFMMFHPL-UHFFFAOYSA-N,C5H11NO2S,149.21,149.0510498,-1.8,64.3,124,0,3,4,2,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Tin, triethyl-, sulphate",57-52-3,16683094,bis(triethylstannyl) sulfate,CC[Sn](CC)(CC)OS(=O)(=O)O[Sn](CC)(CC)CC,"InChI=1S/6C2H5.H2O4S.2Sn/c6*1-2;1-5(2,3)4;;/h6*1H2,2H3;(H2,1,2,3,4);;/q;;;;;;;2*+1/p-2",BTVURVLQSDTSSS-UHFFFAOYSA-L,C12H30O4SSn2,507.9,507.99029,,61,299,0,0,4,10,19,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Valine, N-acetyl-3-mercapto-, DL-",59-53-0,27372,2-acetamido-3-methyl-3-sulfanylbutanoic acid,CC(=O)NC(C(=O)O)C(C)(C)S,"InChI=1S/C7H13NO3S/c1-4(9)8-5(6(10)11)7(2,3)12/h5,12H,1-3H3,(H,8,9)(H,10,11)",MNNBCKASUFBXCO-UHFFFAOYSA-N,C7H13NO3S,191.25,191.0616145,0.1,67.4,203,0,3,4,3,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propionohydroxamic acid, N-(5-(3-((5-aminopentyl)hydroxycarbamoyl)propionamido)pentyl)-3-((5-(N-hydroxyacetamido)pentyl)carbamoyl)-",70-51-9,2973,N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide,CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O,"InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)",UBQYURCVBFRUQT-UHFFFAOYSA-N,C25H48N6O8,560.7,560.3533625,-2.1,206,739,0,6,9,23,39,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, (R)-",74-55-5,14052,(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol,CC[C@@H](CO)NCCN[C@@H](CC)CO,"InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1",AEUTYOVWOVBAKS-UWVGGRQHSA-N,C10H24N2O2,204.31,204.183778,-0.1,64.5,109,0,4,4,9,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"2-Propanol, 1,1,1-trichloro-",76-00-6,66153,"1,1,1-trichloropropan-2-ol",CC(C(Cl)(Cl)Cl)O,"InChI=1S/C3H5Cl3O/c1-2(7)3(4,5)6/h2,7H,1H3",HCMBPASAOZIEDZ-UHFFFAOYSA-N,C3H5Cl3O,163.43,161.940598,1.8,20.2,57,0,1,1,0,7,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Nonanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-",76-21-1,6434,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acid",C(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C9H2F16O2/c10-1(11)3(12,13)5(16,17)7(20,21)9(24,25)8(22,23)6(18,19)4(14,15)2(26)27/h1H,(H,26,27)",RARQGXBOCXOJPM-UHFFFAOYSA-N,C9H2F16O2,446.08,445.9799299,5.3,37.3,578,0,1,18,8,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Choline, citrate (1:1) (salt)",77-91-8,66170,"2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;2-hydroxyethyl(trimethyl)azanium",C[N+](C)(C)CCO.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O,"InChI=1S/C6H8O7.C5H14NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-6(2,3)4-5-7/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);7H,4-5H2,1-3H3/q;+1/p-1",WRPUOFKIGGWQIJ-UHFFFAOYSA-M,C11H21NO8,295.29,295.1267166,,155,268,0,4,8,6,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"1-Buten-3-yne, 2-methyl-",78-80-8,62323,2-methylbut-1-en-3-yne,CC(=C)C#C,"InChI=1S/C5H6/c1-4-5(2)3/h1H,2H2,3H3",BOFLDKIFLIFLJA-UHFFFAOYSA-N,C5H6,66.1,66.04695019,1.9,0,79,0,0,0,1,5,,,0,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Propene, 3-chloropentafluoro-",79-47-0,6600,"3-chloro-1,1,2,3,3-pentafluoroprop-1-ene",C(=C(F)F)(C(F)(F)Cl)F,"InChI=1S/C3ClF5/c4-3(8,9)1(5)2(6)7",IJTAKAGEJXIJPQ-UHFFFAOYSA-N,C3ClF5,166.48,165.9608685,2.2,0,135,0,0,5,1,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"Sulfide, bis(diethylthiocarbamoyl)",95-05-6,7215,"diethylcarbamothioyl N,N-diethylcarbamodithioate",CCN(CC)C(=S)SC(=S)N(CC)CC,"InChI=1S/C10H20N2S3/c1-5-11(6-2)9(13)15-10(14)12(7-3)8-4/h5-8H2,1-4H3",CTPKSRZFJSJGML-UHFFFAOYSA-N,C10H20N2S3,264.5,264.0788622,3.1,96,189,0,0,3,6,15,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Acetamide, 2-chloro-N-methyl-",96-30-0,66773,2-chloro-N-methylacetamide,CNC(=O)CCl,"InChI=1S/C3H6ClNO/c1-5-3(6)2-4/h2H2,1H3,(H,5,6)",HOZLOOPIXHWKCI-UHFFFAOYSA-N,C3H6ClNO,107.54,107.0137915,0.2,29.1,54,0,1,1,1,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Propanoic acid, 2-methyl-, butyl ester",97-87-0,7353,butyl 2-methylpropanoate,CCCCOC(=O)C(C)C,"InChI=1S/C8H16O2/c1-4-5-6-10-8(9)7(2)3/h7H,4-6H2,1-3H3",JSLCOZYBKYHZNL-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,2.4,26.3,97,0,0,2,5,10,,156.00 to 158.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"4-Pentenoic acid, 2-allyl-",99-67-2,12610509,2-prop-2-enylpent-4-enoic acid,C=CCC(CC=C)C(=O)O,"InChI=1S/C8H12O2/c1-3-5-7(6-4-2)8(9)10/h3-4,7H,1-2,5-6H2,(H,9,10)",OKJQSUPURXTNME-UHFFFAOYSA-N,C8H12O2,140.18,140.0837296,2,37.3,128,0,1,2,5,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanethiol, 2-(diethylamino)-",100-38-9,16032,2-(diethylamino)ethanethiol,CCN(CC)CCS,"InChI=1S/C6H15NS/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3",YBDSNEVSFQMCTL-UHFFFAOYSA-N,C6H15NS,133.26,133.0925207,1.3,4.2,43,0,1,2,4,8,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,1,0,0
"Ethanol, 2-(bis(2-ethylhexyl)amino)-",101-07-5,101571,2-[bis(2-ethylhexyl)amino]ethanol,CCCCC(CC)CN(CCO)CC(CC)CCCC,"InChI=1S/C18H39NO/c1-5-9-11-17(7-3)15-19(13-14-20)16-18(8-4)12-10-6-2/h17-18,20H,5-16H2,1-4H3",FMFWSIARXFCACS-UHFFFAOYSA-N,C18H39NO,285.5,285.3031649,5.8,23.5,178,0,1,2,14,20,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Nonanol, 5-ethyl-",103-08-2,7634,5-ethylnonan-2-ol,CCCCC(CC)CCC(C)O,"InChI=1S/C11H24O/c1-4-6-7-11(5-2)9-8-10(3)12/h10-12H,4-9H2,1-3H3",WYXKGYXADPUOOM-UHFFFAOYSA-N,C11H24O,172.31,172.1827154,4.2,20.2,91,0,1,1,7,12,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ether, 2-ethylhexyl vinyl",103-44-6,61004,3-(ethenoxymethyl)heptane,CCCCC(CC)COC=C,"InChI=1S/C10H20O/c1-4-7-8-10(5-2)9-11-6-3/h6,10H,3-5,7-9H2,1-2H3",DSSAWHFZNWVJEC-UHFFFAOYSA-N,C10H20O,156.26,156.1514153,4.4,9.2,88,0,0,1,7,11,,,0,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,1,0
"2-Butynylenediamine, N,N,N'N'-tetraethyl-",105-18-0,7740,"N,N,N',N'-tetraethylbut-2-yne-1,4-diamine",CCN(CC)CC#CCN(CC)CC,"InChI=1S/C12H24N2/c1-5-13(6-2)11-9-10-12-14(7-3)8-4/h5-8,11-12H2,1-4H3",ZSHOGSSMVWJOGA-UHFFFAOYSA-N,C12H24N2,196.33,196.1939488,1.8,6.5,161,0,0,2,6,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pentylamine, 1,3-dimethyl-",105-41-9,7753,4-methylhexan-2-amine,CCC(C)CC(C)N,"InChI=1S/C7H17N/c1-4-6(2)5-7(3)8/h6-7H,4-5,8H2,1-3H3",YAHRDLICUYEDAU-UHFFFAOYSA-N,C7H17N,115.22,115.1360995,1.9,26,52,0,1,1,3,8,,132.5 °C,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"2-Butenoic acid, 4-((aminocarbonyl)amino)-4-oxo-, (Z)-",105-61-3,5356398,(Z)-4-(carbamoylamino)-4-oxobut-2-enoic acid,C(=C\C(=O)O)\C(=O)NC(=O)N,"InChI=1S/C5H6N2O4/c6-5(11)7-3(8)1-2-4(9)10/h1-2H,(H,9,10)(H3,6,7,8,11)/b2-1-",GWGLGTKSTGSWGQ-UPHRSURJSA-N,C5H6N2O4,158.11,158.0327567,-0.9,109,221,0,3,4,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1-allyl-3-(2-hydroxyethyl)-2-thio-",105-81-7,2735273,1-(2-hydroxyethyl)-3-prop-2-enylthiourea,C=CCNC(=S)NCCO,"InChI=1S/C6H12N2OS/c1-2-3-7-6(10)8-4-5-9/h2,9H,1,3-5H2,(H2,7,8,10)",VUVPNTYTOUGMDG-UHFFFAOYSA-N,C6H12N2OS,160.24,160.0670342,-0.1,76.4,116,0,3,2,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanethiol, 2-(dimethylamino)-",108-02-1,25799,2-(dimethylamino)ethanethiol,CN(C)CCS,"InChI=1S/C4H11NS/c1-5(2)3-4-6/h6H,3-4H2,1-2H3",DENMGZODXQRYAR-UHFFFAOYSA-N,C4H11NS,105.2,105.0612205,0.6,4.2,28,0,1,2,2,6,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"Propylamine, 2-chloro-N,N-dimethyl-",108-14-5,92738,"2-chloro-N,N-dimethylpropan-1-amine",CC(CN(C)C)Cl,"InChI=1S/C5H12ClN/c1-5(6)4-7(2)3/h5H,4H2,1-3H3",GYXWNSDLDXGMGU-UHFFFAOYSA-N,C5H12ClN,121.61,121.0658271,1.3,3.2,45,0,0,1,2,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Octadecanamide, N,N'-methylenebis-",109-23-9,66954,N-[(octadecanoylamino)methyl]octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NCNC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C37H74N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36(40)38-35-39-37(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3,(H,38,40)(H,39,41)",FTQWRYSLUYAIRQ-UHFFFAOYSA-N,C37H74N2O2,579,578.5750296,15.8,58.2,491,0,2,2,34,41,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propyne, 3-chloro-1-iodo-",109-71-7,66961,3-chloro-1-iodoprop-1-yne,C(C#CI)Cl,InChI=1S/C3H2ClI/c4-2-1-3-5/h2H2,IRSNQGVPSQCWKJ-UHFFFAOYSA-N,C3H2ClI,200.4,199.88898,1.7,0,65,0,0,0,0,5,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-Propanol, 3-isopropoxy-",110-48-5,99378,3-propan-2-yloxypropan-1-ol,CC(C)OCCCO,"InChI=1S/C6H14O2/c1-6(2)8-5-3-4-7/h6-7H,3-5H2,1-2H3",GBSGXZBOFKJGMG-UHFFFAOYSA-N,C6H14O2,118.17,118.0993797,0.6,29.5,43,0,1,2,4,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-Butanol, 4-methoxy-",111-32-0,8107,4-methoxybutan-1-ol,COCCCCO,"InChI=1S/C5H12O2/c1-7-5-3-2-4-6/h6H,2-5H2,1H3",KOVAQMSVARJMPH-UHFFFAOYSA-N,C5H12O2,104.15,104.0837296,0.1,29.5,29,0,1,2,4,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-Butyne-1,4-diamine, N,N,N',N'-tetramethyl-",111-53-5,66075,"N,N,N',N'-tetramethylbut-2-yne-1,4-diamine",CN(C)CC#CCN(C)C,"InChI=1S/C8H16N2/c1-9(2)7-5-6-8-10(3)4/h7-8H2,1-4H3",FFDFQBBNDKGBGI-UHFFFAOYSA-N,C8H16N2,140.23,140.1313485,0.4,6.5,122,0,0,2,2,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propionitrile, 3,3'-thiodi-",111-97-7,8151,3-(2-cyanoethylsulfanyl)propanenitrile,C(CSCCC#N)C#N,"InChI=1S/C6H8N2S/c7-3-1-5-9-6-2-4-8/h1-2,5-6H2",NDVLTZFQVDXFAN-UHFFFAOYSA-N,C6H8N2S,140.21,140.0408194,0.3,72.9,129,0,0,3,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethane, 1,2-dibutoxy-",112-48-1,8188,1-(2-butoxyethoxy)butane,CCCCOCCOCCCC,"InChI=1S/C10H22O2/c1-3-5-7-11-9-10-12-8-6-4-2/h3-10H2,1-2H3",GDXHBFHOEYVPED-UHFFFAOYSA-N,C10H22O2,174.28,174.1619799,2.5,18.5,64,0,0,2,9,12,"185 °F (USCG, 1999)","399 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphorodithioic acid, O,O-dimethyl ester, S-ester with N-ethyl-2-mercaptoacetamide",116-01-8,8297,2-dimethoxyphosphinothioylsulfanyl-N-ethylacetamide,CCNC(=O)CSP(=S)(OC)OC,"InChI=1S/C6H14NO3PS2/c1-4-7-6(8)5-13-11(12,9-2)10-3/h4-5H2,1-3H3,(H,7,8)",DICRHEJCQXFJBY-UHFFFAOYSA-N,C6H14NO3PS2,243.3,243.0152727,1.1,105,204,0,1,5,6,13,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Oxamide, N,N'-dimethyldithio-",120-79-6,1899472,"N,N'-dimethylethanedithioamide",CNC(=S)C(=S)NC,"InChI=1S/C4H8N2S2/c1-5-3(7)4(8)6-2/h1-2H3,(H,5,7)(H,6,8)",MQLIZYQZJMPNFI-UHFFFAOYSA-N,C4H8N2S2,148.3,148.0128906,0.5,88.2,96,0,2,2,0,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Oxamide, N,N'-bis(2-hydroxyethyl)dithio-",120-86-5,1900910,"N,N'-bis(2-hydroxyethyl)ethanedithioamide",C(CO)NC(=S)C(=S)NCCO,"InChI=1S/C6H12N2O2S2/c9-3-1-7-5(11)6(12)8-2-4-10/h9-10H,1-4H2,(H,7,11)(H,8,12)",POHRRIXAXBVBFW-UHFFFAOYSA-N,C6H12N2O2S2,208.3,208.03402,-0.9,129,146,0,4,4,4,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butanoic acid, 4,4'-dioxybis(4-oxo-",123-23-9,31248,4-(3-carboxypropanoylperoxy)-4-oxobutanoic acid,C(CC(=O)OOC(=O)CCC(=O)O)C(=O)O,"InChI=1S/C8H10O8/c9-5(10)1-3-7(13)15-16-8(14)4-2-6(11)12/h1-4H2,(H,9,10)(H,11,12)",MKTOIPPVFPJEQO-UHFFFAOYSA-N,C8H10O8,234.16,234.0375673,-0.9,127,264,0,2,8,9,16,,,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,1,1,0,0,0
"Propionic acid, 3,3'-thiodi-, didodecyl ester",123-28-4,31250,dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate,CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,"InChI=1S/C30H58O4S/c1-3-5-7-9-11-13-15-17-19-21-25-33-29(31)23-27-35-28-24-30(32)34-26-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3",GHKOFFNLGXMVNJ-UHFFFAOYSA-N,C30H58O4S,514.8,514.4055815,11.7,77.9,416,0,0,5,30,35,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Pentanol, 2,2,4-trimethyl-",123-44-4,31258,"2,2,4-trimethylpentan-1-ol",CC(C)CC(C)(C)CO,"InChI=1S/C8H18O/c1-7(2)5-8(3,4)6-9/h7,9H,5-6H2,1-4H3",CWPPDTVYIJETDF-UHFFFAOYSA-N,C8H18O,130.23,130.1357652,2.4,20.2,74,0,1,1,3,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, 2-(2-hydroxyethoxy)-",123-85-3,67163,2-(2-hydroxyethoxy)acetamide,C(COCC(=O)N)O,"InChI=1S/C4H9NO3/c5-4(7)3-8-2-1-6/h6H,1-3H2,(H2,5,7)",INNWRDCESBMSQK-UHFFFAOYSA-N,C4H9NO3,119.12,119.0582431,-1.7,72.6,73,0,2,3,4,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Butyric acid, ester with dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate",126-22-7,31343,"(2,2,2-trichloro-1-dimethoxyphosphorylethyl) butanoate",CCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC,"InChI=1S/C8H14Cl3O5P/c1-4-5-6(12)16-7(8(9,10)11)17(13,14-2)15-3/h7H,4-5H2,1-3H3",BKAQXYNWONVOAX-UHFFFAOYSA-N,C8H14Cl3O5P,327.5,325.964444,2.2,61.8,296,0,0,5,7,17,,129 °C at 0.5 mm HG,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphorothioic acid, O,O-diethyl S-(2-(ethylthio)ethyl) ester",126-75-0,24723,1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane,CCOP(=O)(OCC)SCCSCC,"InChI=1S/C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3/h4-8H2,1-3H3",GRPRVIYRYGLIJU-UHFFFAOYSA-N,C8H19O3PS2,258.3,258.0513238,2.3,86.1,168,0,0,5,9,14,,128 °C at 1 mm Hg,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propanone, 1,3-dichloro-1,1,3,3-tetrafluoro-",127-21-9,31376,"1,3-dichloro-1,1,3,3-tetrafluoropropan-2-one",C(=O)(C(F)(F)Cl)C(F)(F)Cl,"InChI=1S/C3Cl2F4O/c4-2(6,7)1(10)3(5,8)9",QRKKTXWUDLJYCV-UHFFFAOYSA-N,C3Cl2F4O,198.93,197.9262327,2.7,17.1,141,0,0,5,2,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamic acid, dimethyldithio-, copper(II) salt",137-29-1,472181,"copper bis(N,N-dimethylcarbamodithioate)",CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Cu+2],"InChI=1S/2C3H7NS2.Cu/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2",ZOUQIAGHKFLHIA-UHFFFAOYSA-L,C6H12CuN2S4,304,302.91793,,72.7,54,0,0,4,0,13,,,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, cyano-, hydrazide",140-87-4,8820,2-cyanoacetohydrazide,C(C#N)C(=O)NN,"InChI=1S/C3H5N3O/c4-2-1-3(7)6-5/h1,5H2,(H,6,7)",HPHBOJANXDKUQD-UHFFFAOYSA-N,C3H5N3O,99.09,99.04326179,-1.3,78.9,111,0,2,3,1,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Glycolaldehyde,141-46-8,756,2-hydroxyacetaldehyde,C(C=O)O,"InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2",WGCNASOHLSPBMP-UHFFFAOYSA-N,C2H4O2,60.05,60.02112937,-0.9,37.3,18,0,1,2,1,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-Pentanol, 4-methoxy-4-methyl-",141-73-1,78955,4-methoxy-4-methylpentan-2-ol,CC(CC(C)(C)OC)O,"InChI=1S/C7H16O2/c1-6(8)5-7(2,3)9-4/h6,8H,5H2,1-4H3",OMSLSFZIEVFEIH-UHFFFAOYSA-N,C7H16O2,132.2,132.1150297,0.8,29.5,79,0,1,2,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pentylamine, hydrochloride",142-65-4,120182,pentan-1-amine;hydrochloride,CCCCCN.Cl,"InChI=1S/C5H13N.ClH/c1-2-3-4-5-6;/h2-6H2,1H3;1H",FZFZFCIODKYFEV-UHFFFAOYSA-N,C5H14ClN,123.62,123.0814771,,26,19,0,2,1,3,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Phosphorothioic acid, O,O,O-trimethyl ester",152-18-1,9038,trimethoxy(sulfanylidene)-lambda5-phosphane,COP(=S)(OC)OC,"InChI=1S/C3H9O3PS/c1-4-7(8,5-2)6-3/h1-3H3",XWSLYQXUTWUIKM-UHFFFAOYSA-N,C3H9O3PS,156.14,156.0010023,1.2,59.8,85,0,0,4,3,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiocyanate, ion(1-)",302-04-5,9322,thiocyanate,C(#N)[S-],InChI=1S/CHNS/c2-1-3/h3H/p-1,ZMZDMBWJUHKJPS-UHFFFAOYSA-M,CNS-,58.08,57.97514518,0.6,24.8,31,-1,0,2,0,3,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Butene, 2,3-dichlorohexafluoro-",303-04-8,2733252,"(E)-2,3-dichloro-1,1,1,4,4,4-hexafluorobut-2-ene",C(=C(/C(F)(F)F)\Cl)(\C(F)(F)F)/Cl,"InChI=1S/C4Cl2F6/c5-1(3(7,8)9)2(6)4(10,11)12/b2-1+",XDIDQEGAKCWQQP-OWOJBTEDSA-N,C4Cl2F6,232.94,231.9281244,3.5,0,177,0,0,6,0,12,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Choline, succinate (2:1) (ester)",306-40-1,5314,trimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium,C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C,"InChI=1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2",AXOIZCJOOAYSMI-UHFFFAOYSA-N,C14H30N2O4+2,290.4,290.2205574,0.6,52.6,284,2,0,4,11,20,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyruvaldehyde, 1-oxime",306-44-5,6399095,(1E)-1-hydroxyiminopropan-2-one,CC(=O)/C=N/O,"InChI=1S/C3H5NO2/c1-3(5)2-4-6/h2,6H,1H3/b4-2+",OVGLVOLWBBGQHS-DUXPYHPUSA-N,C3H5NO2,87.08,87.0320284,0.4,49.7,76,0,1,3,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Dodecane, 1-fluoro-",334-68-9,9548,1-fluorododecane,CCCCCCCCCCCCF,"InChI=1S/C12H25F/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3",YHYBNVZCQIDLSQ-UHFFFAOYSA-N,C12H25F,188.32,188.194029,6.2,0,81,0,0,1,10,13,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Valeronitrile, 5-fluoro-",353-13-9,67703,5-fluoropentanenitrile,C(CCF)CC#N,InChI=1S/C5H8FN/c6-4-2-1-3-5-7/h1-4H2,TZKGRFZSJHYEOY-UHFFFAOYSA-N,C5H8FN,101.12,101.0640774,1,23.8,71,0,0,2,3,7,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Ethane, 1,2-difluoro-1,1,2-trichloro-",354-15-4,92756,"1,1,2-trichloro-1,2-difluoroethane",C(C(F)(Cl)Cl)(F)Cl,"InChI=1S/C2HCl3F2/c3-1(6)2(4,5)7/h1H",BQNSLJQRJAJITR-UHFFFAOYSA-N,C2HCl3F2,169.38,167.911189,2.9,0,64,0,0,2,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"Sulfamoyl fluoride, N,N-dimethyl-",354-44-9,120216,"N,N-dimethylsulfamoyl fluoride",CN(C)S(=O)(=O)F,"InChI=1S/C2H6FNO2S/c1-4(2)7(3,5)6/h1-2H3",NNOYMOQFZUUTHQ-UHFFFAOYSA-N,C2H6FNO2S,127.14,127.0103278,0.1,45.8,132,0,0,4,1,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Ethane, 1,2-dibromo-1-chloro-1,2,2-trifluoro-",354-51-8,9634,"1,2-dibromo-1-chloro-1,2,2-trifluoroethane",C(C(F)(Cl)Br)(F)(F)Br,"InChI=1S/C2Br2ClF3/c3-1(5,6)2(4,7)8",OVZATIUQXBLIQT-UHFFFAOYSA-N,C2Br2ClF3,276.28,275.79869,3.5,0,97,0,0,3,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Nonanamine, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-",355-47-5,2776259,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononan-1-amine",C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N,"InChI=1S/C9H4F17N/c10-2(11,1-27)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h1,27H2",IHVFAVFXCUPMEN-UHFFFAOYSA-N,C9H4F17N,449.11,449.0072279,5.1,26,543,0,1,18,7,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Hexanoic acid, 4,4,5,5,6,6,6-heptafluoro-",356-02-5,2774909,"4,4,5,5,6,6,6-heptafluorohexanoic acid",C(CC(C(C(F)(F)F)(F)F)(F)F)C(=O)O,"InChI=1S/C6H5F7O2/c7-4(8,2-1-3(14)15)5(9,10)6(11,12)13/h1-2H2,(H,14,15)",ISFKSWMQWIRDNC-UHFFFAOYSA-N,C6H5F7O2,242.09,242.0177765,2.5,37.3,244,0,1,9,4,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Propionic acid, 2,2,3,3-tetrafluoro-3-(trifluoromethoxy)-, methyl ester",356-69-4,78984,"methyl 2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoate",COC(=O)C(C(OC(F)(F)F)(F)F)(F)F,"InChI=1S/C5H3F7O3/c1-14-2(13)3(6,7)4(8,9)15-5(10,11)12/h1H3",CTFPDAPIMZVSSO-UHFFFAOYSA-N,C5H3F7O3,244.06,243.9970411,2.6,35.5,246,0,0,10,4,15,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Ether, butyl 1,1,2,2-tetrafluoroethyl",358-37-2,9659,"1-(1,1,2,2-tetrafluoroethoxy)butane",CCCCOC(C(F)F)(F)F,"InChI=1S/C6H10F4O/c1-2-3-4-11-6(9,10)5(7)8/h5H,2-4H2,1H3",CIVGBESMFDRXNF-UHFFFAOYSA-N,C6H10F4O,174.14,174.0667776,3,9.2,105,0,0,5,5,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Ethanamine, N,N-bis(pentafluoroethyl)-1,1,2,2,2-pentalfluoro-",359-70-6,78986,"1,1,2,2,2-pentafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)ethanamine",C(C(F)(F)F)(N(C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F)(F)F,"InChI=1S/C6F15N/c7-1(8,9)4(16,17)22(5(18,19)2(10,11)12)6(20,21)3(13,14)15",CBEFDCMSEZEGCX-UHFFFAOYSA-N,C6F15N,371.05,370.9791214,5.9,3.2,334,0,0,16,3,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ether, methyl heptafluoroisobutenyl",360-53-2,9672,"1,3,3,3-tetrafluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene",COC(=C(C(F)(F)F)C(F)(F)F)F,"InChI=1S/C5H3F7O/c1-13-3(6)2(4(7,8)9)5(10,11)12/h1H3",FSDLLONBRLBIBL-UHFFFAOYSA-N,C5H3F7O,212.07,212.0072119,3,9.2,194,0,0,8,1,13,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Crotonic acid, 4-fluoro-, ethyl ester",371-24-4,5899037,ethyl (E)-4-fluorobut-2-enoate,CCOC(=O)/C=C/CF,"InChI=1S/C6H9FO2/c1-2-9-6(8)4-3-5-7/h3-4H,2,5H2,1H3/b4-3+",FUQNDTQEJQPNFY-ONEGZZNKSA-N,C6H9FO2,132.13,132.0586577,1.1,26.3,110,0,0,3,4,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Phosphorodiamidic fluoride, N,N'-diisopropyl-",371-86-8,9738,N-[fluoro-(propan-2-ylamino)phosphoryl]propan-2-amine,CC(C)NP(=O)(NC(C)C)F,"InChI=1S/C6H16FN2OP/c1-5(2)8-11(7,10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)",UOSHUBFBCPGQAY-UHFFFAOYSA-N,C6H16FN2OP,182.18,182.0984283,1,41.1,147,0,2,4,4,11,,125 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"Butanesulfonyl chloride, 4-fluoro-",372-00-9,9739,4-fluorobutane-1-sulfonyl chloride,C(CCS(=O)(=O)Cl)CF,"InChI=1S/C4H8ClFO2S/c5-9(7,8)4-2-1-3-6/h1-4H2",SAWBBSTVVUPYAY-UHFFFAOYSA-N,C4H8ClFO2S,174.62,173.9917565,1.4,42.5,148,0,0,3,4,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Butane, 1,4-difluoro-",372-90-7,9753,"1,4-difluorobutane",C(CCF)CF,InChI=1S/C4H8F2/c5-3-1-2-4-6/h1-4H2,CXHPKSYTQFAXIN-UHFFFAOYSA-N,C4H8F2,94.1,94.05940658,1.6,0,17,0,0,2,3,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanol, 2-(beta-fluoroethoxy)-",373-22-8,9763,2-(2-fluoroethoxy)ethanol,C(COCCF)O,"InChI=1S/C4H9FO2/c5-1-3-7-4-2-6/h6H,1-4H2",AIQHGORLUMRDSE-UHFFFAOYSA-N,C4H9FO2,108.11,108.0586577,-0.3,29.5,32,0,1,3,4,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Hexane, 1-bromo-6-fluoro-",373-28-4,9765,1-bromo-6-fluorohexane,C(CCCBr)CCF,InChI=1S/C6H12BrF/c7-5-3-1-2-4-6-8/h1-6H2,CNCUKGDUDOASDV-UHFFFAOYSA-N,C6H12BrF,183.06,182.01064,2.8,0,39,0,0,1,5,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Hexanol, 6-fluoro-",373-32-0,9768,6-fluorohexan-1-ol,C(CCCF)CCO,"InChI=1S/C6H13FO/c7-5-3-1-2-4-6-8/h8H,1-6H2",JWCOWLWBOYGUPA-UHFFFAOYSA-N,C6H13FO,120.17,120.0950432,1.3,20.2,39,0,1,2,5,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Ethanol, 2-(2'-(2''-fluoroethoxy)ethoxy)-",373-45-5,9771,2-[2-(2-fluoroethoxy)ethoxy]ethanol,C(COCCOCCF)O,"InChI=1S/C6H13FO3/c7-1-3-9-5-6-10-4-2-8/h8H,1-6H2",SSZYZLZGRCUYIK-UHFFFAOYSA-N,C6H13FO3,152.16,152.0848724,-0.6,38.7,61,0,1,4,7,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Methanesulfonyl fluoride, chloro-",373-93-3,67805,chloromethanesulfonyl fluoride,C(S(=O)(=O)F)Cl,"InChI=1S/CH2ClFO2S/c2-1-6(3,4)5/h1H2",CRUSUKQDRLFRHO-UHFFFAOYSA-N,CH2ClFO2S,132.54,131.9448063,0.8,42.5,110,0,0,3,1,6,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"Butane, 1,1,2,2,3,3,4,4-octafluoro-1,4-diiodo-",375-50-8,78993,"1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane",C(C(C(F)(F)I)(F)F)(C(F)(F)I)(F)F,"InChI=1S/C4F8I2/c5-1(6,3(9,10)13)2(7,8)4(11,12)14",JILAKKYYZPDQBE-UHFFFAOYSA-N,C4F8I2,453.84,453.79617,4.4,0,199,0,0,8,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Valeric acid, 2,2,3,3,4,4,5,5-octafluoro-",376-72-7,120227,"2,2,3,3,4,4,5,5-octafluoropentanoic acid",C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C5H2F8O2/c6-1(7)3(8,9)5(12,13)4(10,11)2(14)15/h1H,(H,14,15)",VGFKXVSMDOKOJZ-UHFFFAOYSA-N,C5H2F8O2,246.05,245.9927046,2.7,37.3,260,0,1,10,4,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acrylonitrile, 2-(trifluoromethyl)-",381-84-0,9789,2-(trifluoromethyl)prop-2-enenitrile,C=C(C#N)C(F)(F)F,"InChI=1S/C4H2F3N/c1-3(2-8)4(5,6)7/h1H2",XHOYJCHWYPGFNS-UHFFFAOYSA-N,C4H2F3N,121.06,121.0139336,1.5,23.8,146,0,0,4,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propionic acid, 2,3,3,3-tetrafluoro-, methyl ester",382-93-4,67840,"methyl 2,3,3,3-tetrafluoropropanoate",COC(=O)C(C(F)(F)F)F,"InChI=1S/C4H4F4O2/c1-10-3(9)2(5)4(6,7)8/h2H,1H3",YPGCUXBNTDXTKF-UHFFFAOYSA-N,C4H4F4O2,160.07,160.014742,1.6,26.3,130,0,0,6,2,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Butyronitrile, 4-fluoro-",407-83-0,9848,4-fluorobutanenitrile,C(CC#N)CF,InChI=1S/C4H6FN/c5-3-1-2-4-6/h1-3H2,FJJJJRAPZCRYGA-UHFFFAOYSA-N,C4H6FN,87.1,87.04842736,0.6,23.8,61,0,0,2,2,6,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Pentane, 1-bromo-5-fluoro-",407-97-6,120236,1-bromo-5-fluoropentane,C(CCF)CCBr,InChI=1S/C5H10BrF/c6-4-2-1-3-5-7/h1-5H2,GMYIZICPHREVDH-UHFFFAOYSA-N,C5H10BrF,169.04,167.99499,2.4,0,31,0,0,1,4,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Propane, 3-bromo-1,1,1,2,2-pentafluoro-",422-01-5,67904,"3-bromo-1,1,1,2,2-pentafluoropropane",C(C(C(F)(F)F)(F)F)Br,"InChI=1S/C3H2BrF5/c4-1-2(5,6)3(7,8)9/h1H2",HKAWJXVJGNTQMW-UHFFFAOYSA-N,C3H2BrF5,212.94,211.926,2.8,0,94,0,0,5,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, difluoronitro-, methyl ester",428-13-7,9881,"methyl 2,2-difluoro-2-nitroacetate",COC(=O)C([N+](=O)[O-])(F)F,"InChI=1S/C3H3F2NO4/c1-10-2(7)3(4,5)6(8)9/h1H3",WTHNVDSODCAINI-UHFFFAOYSA-N,C3H3F2NO4,155.06,155.0030139,0.9,72.1,162,0,0,6,2,10,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Propane, 2,3-dibromo-1,1,1-trifluoro-",431-21-0,2736806,"2,3-dibromo-1,1,1-trifluoropropane",C(C(C(F)(F)F)Br)Br,"InChI=1S/C3H3Br2F3/c4-1-2(5)3(6,7)8/h2H,1H2",XFOCTDPLVDZSGA-UHFFFAOYSA-N,C3H3Br2F3,255.86,255.85331,2.9,0,69,0,0,3,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Propene, 1,1,2-trichloro-3,3,3-trifluoro-",431-52-7,67938,"1,1,2-trichloro-3,3,3-trifluoroprop-1-ene",C(=C(Cl)Cl)(C(F)(F)F)Cl,"InChI=1S/C3Cl3F3/c4-1(2(5)6)3(7,8)9",QSSVZVNYQIGOJR-UHFFFAOYSA-N,C3Cl3F3,199.38,197.901768,3.5,0,132,0,0,3,0,9,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butyric acid, 2-fluoro-",433-44-3,9898,2-fluorobutanoic acid,CCC(C(=O)O)F,"InChI=1S/C4H7FO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)",GCSPSGQVZXMPKU-UHFFFAOYSA-N,C4H7FO2,106.1,106.0430076,1.1,37.3,72,0,1,3,2,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"1,3-Propanediol, 2-fluoro-",453-09-8,67986,"2-fluoropropane-1,3-diol",C(C(CO)F)O,"InChI=1S/C3H7FO2/c4-3(1-5)2-6/h3,5-6H,1-2H2",NWIQTMVDEWDMAM-UHFFFAOYSA-N,C3H7FO2,94.08,94.04300762,-0.7,40.5,28,0,2,3,2,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propanone, 1,3-difluoro-",453-14-5,228397,"1,3-difluoropropan-2-one",C(C(=O)CF)F,InChI=1S/C3H4F2O/c4-1-3(6)2-5/h1-2H2,HKIPCXRNASWFRU-UHFFFAOYSA-N,C3H4F2O,94.06,94.02302107,0.7,17.1,46,0,0,3,2,6,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,2-Propanediol, 3-fluoro-",453-16-7,1657,"3-fluoropropane-1,2-diol",C(C(CF)O)O,"InChI=1S/C3H7FO2/c4-1-3(6)2-5/h3,5-6H,1-2H2",PQDNJBQKAXAXBQ-UHFFFAOYSA-N,C3H7FO2,94.08,94.04300762,-0.7,40.5,32,0,2,3,2,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propylamine, 3,3,3-trifluoro-",460-39-9,10001,"3,3,3-trifluoropropan-1-amine",C(CN)C(F)(F)F,"InChI=1S/C3H6F3N/c4-3(5,6)1-2-7/h1-2,7H2",NGZVNONVXYLYQW-UHFFFAOYSA-N,C3H6F3N,113.08,113.0452337,0.8,26,48,0,1,4,1,7,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Ethanesulfonyl fluoride, 2-fluoro-",460-46-8,68029,2-fluoroethanesulfonyl fluoride,C(CS(=O)(=O)F)F,"InChI=1S/C2H4F2O2S/c3-1-2-7(4,5)6/h1-2H2",ZKZVVDJBUKDJON-UHFFFAOYSA-N,C2H4F2O2S,130.12,129.9900069,0.5,42.5,121,0,0,4,2,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"Butanol, 4,4,4-trifluoro-",461-18-7,136307,"4,4,4-trifluorobutan-1-ol",C(CC(F)(F)F)CO,"InChI=1S/C4H7F3O/c5-4(6,7)2-1-3-8/h8H,1-3H2",VKRFUGHXKNNIJO-UHFFFAOYSA-N,C4H7F3O,128.09,128.0448993,0.9,20.2,58,0,1,4,2,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Ether, ethyl 2,2,2-trifluoroethyl",461-24-5,10003,"2-ethoxy-1,1,1-trifluoroethane",CCOCC(F)(F)F,"InChI=1S/C4H7F3O/c1-2-8-3-4(5,6)7/h2-3H2,1H3",ZKNHDJMXIUOHLX-UHFFFAOYSA-N,C4H7F3O,128.09,128.0448993,1.6,9.2,58,0,0,4,2,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Propanesulfonyl chloride, 3-fluoro-",461-28-9,21114841,3-fluoropropane-1-sulfonyl chloride,C(CF)CS(=O)(=O)Cl,"InChI=1S/C3H6ClFO2S/c4-8(6,7)3-1-2-5/h1-3H2",NSEKXHORSXVZKN-UHFFFAOYSA-N,C3H6ClFO2S,160.6,159.9761065,1.1,42.5,136,0,0,3,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Methanesulfonic acid, 2-fluoroethyl ester",461-31-4,68034,2-fluoroethyl methanesulfonate,CS(=O)(=O)OCCF,"InChI=1S/C3H7FO3S/c1-8(5,6)7-3-2-4/h2-3H2,1H3",DLFIXPTUMHDGCB-UHFFFAOYSA-N,C3H7FO3S,142.15,142.0099934,0,51.8,133,0,0,4,3,8,,,0,0,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Formic acid, chloro-, 2-fluoroethyl ester",462-27-1,10017,2-fluoroethyl carbonochloridate,C(CF)OC(=O)Cl,InChI=1S/C3H4ClFO2/c4-3(6)7-2-1-5/h1-2H2,FOHSVPIFZASOED-UHFFFAOYSA-N,C3H4ClFO2,126.51,125.9883852,1.5,26.3,66,0,0,3,3,7,,,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"Propylamine, 3-fluoro-",462-41-9,10019,3-fluoropropan-1-amine,C(CN)CF,"InChI=1S/C3H8FN/c4-2-1-3-5/h1-3,5H2",YTHVGJSPULXGNY-UHFFFAOYSA-N,C3H8FN,77.1,77.06407742,0,26,16,0,1,2,2,5,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"1-Propanethiol, 3-amino-",462-47-5,97436,3-aminopropane-1-thiol,C(CN)CS,"InChI=1S/C3H9NS/c4-2-1-3-5/h5H,1-4H2",IYGAMTQMILRCCI-UHFFFAOYSA-N,C3H9NS,91.18,91.04557046,-0.1,27,16,0,2,2,2,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butane, 1-bromo-4-fluoro-",462-72-6,10022,1-bromo-4-fluorobutane,C(CCBr)CF,InChI=1S/C4H8BrF/c5-3-1-2-4-6/h1-4H2,WMCUHRDQSHQNRW-UHFFFAOYSA-N,C4H8BrF,155.01,153.97934,2,0,23,0,0,1,3,6,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Ethane, 1-chloromethoxy-2-fluoro-",462-75-9,22762170,1-(chloromethoxy)-2-fluoroethane,C(CF)OCCl,InChI=1S/C3H6ClFO/c4-3-6-2-1-5/h1-3H2,BBSUPBKSOHRTES-UHFFFAOYSA-N,C3H6ClFO,112.53,112.0091207,1.1,9.2,26,0,0,2,3,6,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"Hexylamine, 6-fluoro-",463-03-6,10025,6-fluorohexan-1-amine,C(CCCF)CCN,"InChI=1S/C6H14FN/c7-5-3-1-2-4-6-8/h1-6,8H2",AUEOTIKUFDLLHS-UHFFFAOYSA-N,C6H14FN,119.18,119.1110276,1.1,26,39,0,1,2,5,8,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"Octane, 1-fluoro-",463-11-6,10027,1-fluorooctane,CCCCCCCCF,"InChI=1S/C8H17F/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3",DHIVLKMGKIZOHF-UHFFFAOYSA-N,C8H17F,132.22,132.1314287,4.5,0,43,0,0,1,6,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Butyramide, 2,4-dihydroxy-N-(2-((2-mercaptoethyl)carbamoyl)ethyl)-3,3-dimethyl-",496-65-1,439322,"(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(2-sulfanylethylamino)propyl]butanamide",CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCS)O,"InChI=1S/C11H22N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h9,14,16,18H,3-7H2,1-2H3,(H,12,15)(H,13,17)/t9-/m0/s1",ZNXZGRMVNNHPCA-VIFPVBQESA-N,C11H22N2O4S,278.37,278.1300284,-1,99.7,284,0,5,5,8,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Propanediol, 2-chloro-",497-04-1,10337,"2-chloropropane-1,3-diol",C(C(CO)Cl)O,"InChI=1S/C3H7ClO2/c4-3(1-5)2-6/h3,5-6H,1-2H2",DYPJJAAKPQKWTM-UHFFFAOYSA-N,C3H7ClO2,110.54,110.0134572,-1,40.5,28,0,2,2,2,6,,"295 °F at 18 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butane, 1-isothiocyanato-4-(methylsulfonyl)-",504-84-7,3080557,1-isothiocyanato-4-methylsulfonylbutane,CS(=O)(=O)CCCCN=C=S,"InChI=1S/C6H11NO2S2/c1-11(8,9)5-3-2-4-7-6-10/h2-5H2,1H3",WNCZPWWLBZOFJL-UHFFFAOYSA-N,C6H11NO2S2,193.3,193.0231209,1.7,87,234,0,0,4,5,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"Propionic acid, 3-nitro-",504-88-1,1678,3-nitropropanoic acid,C(C[N+](=O)[O-])C(=O)O,"InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)",WBLZUCOIBUDNBV-UHFFFAOYSA-N,C3H5NO4,119.08,119.0218576,-0.5,83.1,104,0,1,4,2,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethylenediamine, N,N'-dinitro-",505-71-5,10462,N-(2-nitramidoethyl)nitramide,C(CN[N+](=O)[O-])N[N+](=O)[O-],"InChI=1S/C2H6N4O4/c7-5(8)3-1-2-4-6(9)10/h3-4H,1-2H2",QCOXCILKVHKOGO-UHFFFAOYSA-N,C2H6N4O4,150.09,150.0389047,0.8,116,108,0,2,6,3,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetaldehyde, tribromo-, hydrate",507-42-6,68181,"2,2,2-tribromoethane-1,1-diol",C(C(Br)(Br)Br)(O)O,"InChI=1S/C2H3Br3O2/c3-2(4,5)1(6)7/h1,6-7H",NJHVMXFNIZTTBV-UHFFFAOYSA-N,C2H3Br3O2,298.76,297.76627,1.4,40.5,56,0,2,2,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethane, 1-ethoxy-1,1,2,2-tetrafluoro-",512-51-6,120272,"1-ethoxy-1,1,2,2-tetrafluoroethane",CCOC(C(F)F)(F)F,"InChI=1S/C4H6F4O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3",HBRLMDFVVMYNFH-UHFFFAOYSA-N,C4H6F4O,146.08,146.0354775,2.1,9.2,82,0,0,5,3,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, aminooxo-, hydrazide",515-96-8,68200,2-hydrazinyl-2-oxoacetamide,C(=O)(C(=O)NN)N,"InChI=1S/C2H5N3O2/c3-1(6)2(7)5-4/h4H2,(H2,3,6)(H,5,7)",MOKRDWKSHLLYKM-UHFFFAOYSA-N,C2H5N3O2,103.08,103.0381764,-1.3,98.2,99,0,3,3,0,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butyric acid, 2-amino-4-(ethylthio)-, D-",535-32-0,92124,(2R)-2-amino-4-ethylsulfanylbutanoic acid,CCSCC[C@H](C(=O)O)N,"InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m1/s1",GGLZPLKKBSSKCX-RXMQYKEDSA-N,C6H13NO2S,163.24,163.0666998,-1.5,88.6,108,0,2,4,5,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,12-Octadecadienoic acid, (9Z,12Z)-, 1,2,3-propanetriyl ester",537-40-6,5322095,"2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl (9Z,12Z)-octadeca-9,12-dienoate",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC,"InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,54H,4-15,22-24,31-53H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-",HBOQXIRUPVQLKX-BBWANDEASA-N,C57H98O6,879.4,878.7363408,20.3,78.9,1130,0,0,6,50,63,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propene-1-sulfinic acid, thio-, S-allyl ester",539-86-6,65036,3-prop-2-enylsulfinylsulfanylprop-1-ene,C=CCSS(=O)CC=C,"InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2",JDLKFOPOAOFWQN-UHFFFAOYSA-N,C6H10OS2,162.3,162.0173073,1.3,61.6,120,0,0,3,5,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, hydroxide, inner salt, D-",541-14-0,2724480,(3S)-3-hydroxy-4-(trimethylazaniumyl)butanoate,C[N+](C)(C)C[C@H](CC(=O)[O-])O,"InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m0/s1",PHIQHXFUZVPYII-LURJTMIESA-N,C7H15NO3,161.2,161.1051933,-0.2,60.4,134,0,1,3,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, hydroxide, inner salt, L-",541-15-1,10917,(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate,C[N+](C)(C)C[C@@H](CC(=O)[O-])O,"InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1",PHIQHXFUZVPYII-ZCFIWIBFSA-N,C7H15NO3,161.2,161.1051933,-0.2,60.4,134,0,1,3,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Ammonium, pentamethylenebis(trimethyl-, dibromide",541-20-8,10919,trimethyl-[5-(trimethylazaniumyl)pentyl]azanium dibromide,C[N+](C)(C)CCCCC[N+](C)(C)C.[Br-].[Br-],"InChI=1S/C11H28N2.2BrH/c1-12(2,3)10-8-7-9-11-13(4,5)6;;/h7-11H2,1-6H3;2*1H/q+2;;/p-2",GJVFBWCTGUSGDD-UHFFFAOYSA-L,C11H28Br2N2,348.16,348.05987,,0,112,0,0,2,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isopentylamine, hydrochloride",541-23-1,10922,3-methylbutan-1-amine;hydrochloride,CC(C)CCN.Cl,"InChI=1S/C5H13N.ClH/c1-5(2)3-4-6;/h5H,3-4,6H2,1-2H3;1H",HOMVDRDAAUYWKL-UHFFFAOYSA-N,C5H14ClN,123.62,123.0814771,,26,25,0,2,1,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-Alanine, 3-(2-propen-1-ylsulfinyl)-",556-27-4,9576089,(2R)-2-amino-3-[(S)-prop-2-enylsulfinyl]propanoic acid,C=CC[S@](=O)C[C@@H](C(=O)O)N,"InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11-/m0/s1",XUHLIQGRKRUKPH-DYEAUMGKSA-N,C6H11NO3S,177.22,177.0459644,-3.5,99.6,181,0,2,5,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ether, methyl propyl",557-17-5,11182,1-methoxypropane,CCCOC,"InChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3",VNKYTQGIUYNRMY-UHFFFAOYSA-N,C4H10O,74.12,74.07316494,1.2,9.2,13,0,0,1,2,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"3-Pentanone, 2-methyl-",565-69-5,11265,2-methylpentan-3-one,CCC(=O)C(C)C,"InChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3",HYTRYEXINDDXJK-UHFFFAOYSA-N,C6H12O,100.16,100.088815,1.5,17.1,64,0,0,1,2,7,,113.5 °C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
Lead(II)cyanide,592-05-2,61139,dicyanolead,C(#N)[Pb]C#N,InChI=1S/2CN.Pb/c2*1-2;,UMTFPTCPRUEQHM-UHFFFAOYSA-N,C2N2Pb,259,259.9828,,47.6,85,0,0,2,0,5,,,0,0,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"Sulfide, diisobutyl-, hydrate",592-65-4,11608,2-methyl-1-(2-methylpropylsulfanyl)propane,CC(C)CSCC(C)C,"InChI=1S/C8H18S/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3",CMWSRWTXVQLHNX-UHFFFAOYSA-N,C8H18S,146.3,146.1129218,3.5,25.3,49,0,0,1,4,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Pentylamine, 5-fluoro-",592-79-0,68966,5-fluoropentan-1-amine,C(CCN)CCF,"InChI=1S/C5H12FN/c6-4-2-1-3-5-7/h1-5,7H2",KOLZZKRWBHRCBJ-UHFFFAOYSA-N,C5H12FN,105.15,105.0953775,0.7,26,31,0,1,2,4,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"1-Pentanol, 5-fluoro-",592-80-3,120291,5-fluoropentan-1-ol,C(CCO)CCF,"InChI=1S/C5H11FO/c6-4-2-1-3-5-7/h7H,1-5H2",FQBZGBYYKHMJFU-UHFFFAOYSA-N,C5H11FO,106.14,106.0793931,1,20.2,31,0,1,2,4,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
Allyl sulfide,592-88-1,11617,3-prop-2-enylsulfanylprop-1-ene,C=CCSCC=C,"InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2",UBJVUCKUDDKUJF-UHFFFAOYSA-N,C6H10S,114.21,114.0503215,2.2,25.3,49,0,0,1,4,7,46.11 °C,139 °C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Isothiocyanic acid, 4-(methylsulfinyl)-3-butenyl ester",592-95-0,6433206,(E)-4-isothiocyanato-1-methylsulfinylbut-1-ene,CS(=O)/C=C/CCN=C=S,"InChI=1S/C6H9NOS2/c1-10(8)5-3-2-4-7-6-9/h3,5H,2,4H2,1H3/b5-3+",QKGJFQMGPDVOQE-HWKANZROSA-N,C6H9NOS2,175.3,175.0125563,1.5,80.7,182,0,0,4,4,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hydrazine, 1,1-dimethyl-, hydrochloride",593-82-8,73951,"1,1-dimethylhydrazine;hydrochloride",CN(C)N.Cl,"InChI=1S/C2H8N2.ClH/c1-4(2)3;/h3H2,1-2H3;1H",VFQADAFGYKTPSH-UHFFFAOYSA-N,C2H9ClN2,96.56,96.045426,,29.3,11,0,2,2,0,5,,,1,1,1,1,0,1,1,1,0,0,1,0,0,1,0,0,1,0,1,1
"Arsine, trimethyl-",593-88-4,68978,trimethylarsane,C[As](C)C,InChI=1S/C3H9As/c1-4(2)3/h1-3H3,HTDIUWINAKAPER-UHFFFAOYSA-N,C3H9As,120.03,119.99202,,0,8,0,0,0,0,4,,,1,0,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"Bismuth, trimethyl-",593-91-9,11651,trimethylbismuthane,C[Bi](C)C,InChI=1S/3CH3.Bi/h3*1H3;,AYDYYQHYLJDCDQ-UHFFFAOYSA-N,C3H9Bi,254.08,254.05082,,0,8,0,0,0,0,4,,,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"Stibine, trimethyl-",594-10-5,11656,trimethylstibane,C[Sb](C)C,InChI=1S/3CH3.Sb/h3*1H3;,PORFVJURJXKREL-UHFFFAOYSA-N,C3H9Sb,166.86,165.97424,,0,8,0,0,0,0,4,,,0,0,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
"Propane, 2-chloro-2-nitro-",594-71-8,11673,2-chloro-2-nitropropane,CC(C)([N+](=O)[O-])Cl,"InChI=1S/C3H6ClNO2/c1-3(2,4)5(6)7/h1-2H3",JQYFSFNSNVRUPY-UHFFFAOYSA-N,C3H6ClNO2,123.54,123.0087061,1.3,45.8,85,0,0,2,0,7,"135 °F (NTP, 1992)","273 °F at 760 mmHg (Decomposes) (NTP, 1992)",0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"Tartronic acid, methyl-",595-48-2,136386,2-hydroxy-2-methylpropanedioic acid,CC(C(=O)O)(C(=O)O)O,"InChI=1S/C4H6O5/c1-4(9,2(5)6)3(7)8/h9H,1H3,(H,5,6)(H,7,8)",LNRVTEQEGXVMEF-UHFFFAOYSA-N,C4H6O5,134.09,134.0215233,-1,94.8,135,0,3,5,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Sulfone, diisopropyl",595-50-6,96232,2-propan-2-ylsulfonylpropane,CC(C)S(=O)(=O)C(C)C,"InChI=1S/C6H14O2S/c1-5(2)9(7,8)6(3)4/h5-6H,1-4H3",ZDULHUHNYHJYKA-UHFFFAOYSA-N,C6H14O2S,150.24,150.0714509,1.2,42.5,146,0,0,2,2,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Phosphoramidic acid, dimethyl-, dimethyl ester",597-07-9,69003,N-dimethoxyphosphoryl-N-methylmethanamine,CN(C)P(=O)(OC)OC,"InChI=1S/C4H12NO3P/c1-5(2)9(6,7-3)8-4/h1-4H3",NEVPGZLSKXATIM-UHFFFAOYSA-N,C4H12NO3P,153.12,153.0554802,-0.3,38.8,117,0,0,4,3,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-Methyl-1-butyne,598-23-2,69019,3-methylbut-1-yne,CC(C)C#C,"InChI=1S/C5H8/c1-4-5(2)3/h1,5H,2-3H3",USCSRAJGJYMJFZ-UHFFFAOYSA-N,C5H8,68.12,68.06260026,1.7,0,51,0,0,0,0,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Ether, isopropyl methyl",598-53-8,11721,2-methoxypropane,CC(C)OC,"InChI=1S/C4H10O/c1-4(2)5-3/h4H,1-3H3",RMGHERXMTMUMMV-UHFFFAOYSA-N,C4H10O,74.12,74.07316494,0.9,9.2,17,0,0,1,1,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"Methane, dibromonitro-",598-91-4,69026,dibromo(nitro)methane,C([N+](=O)[O-])(Br)Br,InChI=1S/CHBr2NO2/c2-1(3)4(5)6/h1H,GQEVYCCMYUNRHJ-UHFFFAOYSA-N,CHBr2NO2,218.83,218.83535,1.8,45.8,57,0,0,2,0,6,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"Acetic acid, 2,2,2-tribromoethyl ester",599-99-5,521909,"ethyl 2,2,2-tribromoacetate",CCOC(=O)C(Br)(Br)Br,"InChI=1S/C4H5Br3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3",ZZUKBDJWZXVOQG-UHFFFAOYSA-N,C4H5Br3O2,324.79,323.78192,2.8,26.3,107,0,0,2,2,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Butane, 2-nitro-",600-24-8,11749,2-nitrobutane,CCC(C)[N+](=O)[O-],"InChI=1S/C4H9NO2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3",SUGZATOHBPXTDV-UHFFFAOYSA-N,C4H9NO2,103.12,103.0633285,1.2,45.8,66,0,0,2,1,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Ethane, 1,1-dinitro-",600-40-8,61150,"1,1-dinitroethane",CC([N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C2H4N2O4/c1-2(3(5)6)4(7)8/h2H,1H3",LKKHEZBRRGJBGH-UHFFFAOYSA-N,C2H4N2O4,120.06,120.0171066,0.5,91.6,96,0,0,4,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
Glycerol triheptanoate,620-67-7,69286,"2,3-di(heptanoyloxy)propyl heptanoate",CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC,"InChI=1S/C24H44O6/c1-4-7-10-13-16-22(25)28-19-21(30-24(27)18-15-12-9-6-3)20-29-23(26)17-14-11-8-5-2/h21H,4-20H2,1-3H3",PJHKBYALYHRYSK-UHFFFAOYSA-N,C24H44O6,428.6,428.3137891,7.3,78.9,421,0,0,6,23,30,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-Propanol, 1,3-dimethoxy-",623-69-8,12190,"1,3-dimethoxypropan-2-ol",COCC(COC)O,"InChI=1S/C5H12O3/c1-7-3-5(6)4-8-2/h5-6H,3-4H2,1-2H3",ZESKRVSPQJVIMH-UHFFFAOYSA-N,C5H12O3,120.15,120.0786442,-0.7,38.7,40,0,1,3,4,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
"Glycerol, 1-nitrate",624-43-1,12211,"2,3-dihydroxypropyl nitrate",C(C(CO[N+](=O)[O-])O)O,"InChI=1S/C3H7NO5/c5-1-3(6)2-9-4(7)8/h3,5-6H,1-2H2",HXWLJBVVXXBZCM-UHFFFAOYSA-N,C3H7NO5,137.09,137.0324223,-0.8,95.5,88,0,2,5,3,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbylamine, ethyl-",624-79-3,12226,isocyanoethane,CC[N+]#[C-],"InChI=1S/C3H5N/c1-3-4-2/h3H2,1H3",BPCWCZCOOFUXGQ-UHFFFAOYSA-N,C3H5N,55.08,55.04219916,0.3,4.4,38,0,0,1,0,4,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
Formamidoxime,624-82-8,9561073,N'-hydroxymethanimidamide,C(=N/O)\N,"InChI=1S/CH4N2O/c2-1-3-4/h1,4H,(H2,2,3)",IONSZLINWCGRRI-UHFFFAOYSA-N,CH4N2O,60.056,60.03236276,-0.6,58.6,25,0,2,2,0,4,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Sulfuric acid, dibutyl ester",625-22-9,12239,dibutyl sulfate,CCCCOS(=O)(=O)OCCCC,"InChI=1S/C8H18O4S/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3",LMEDOLJKVASKTP-UHFFFAOYSA-N,C8H18O4S,210.29,210.0925802,2.2,61,177,0,0,4,8,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Heptanol, 2-methyl-",625-25-2,12242,2-methylheptan-2-ol,CCCCCC(C)(C)O,"InChI=1S/C8H18O/c1-4-5-6-7-8(2,3)9/h9H,4-7H2,1-3H3",ACBMYYVZWKYLIP-UHFFFAOYSA-N,C8H18O,130.23,130.1357652,2.5,20.2,67,0,1,1,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanol, 2-nitro-",625-48-9,12252,2-nitroethanol,C(CO)[N+](=O)[O-],"InChI=1S/C2H5NO3/c4-2-1-3(5)6/h4H,1-2H2",KIPMDPDAFINLIV-UHFFFAOYSA-N,C2H5NO3,91.07,91.02694302,-0.4,66.1,47,0,1,3,1,6,"greater than 235 °F (NTP, 1992)","381 °F at 765 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Diethylamine, N-nitroso-2,2,2,2',2',2'-hexafluoro-",625-89-8,12267,"N,N-bis(2,2,2-trifluoroethyl)nitrous amide",C(C(F)(F)F)N(CC(F)(F)F)N=O,"InChI=1S/C4H4F6N2O/c5-3(6,7)1-12(11-13)2-4(8,9)10/h1-2H2",YUEXLPFBTMPXCY-UHFFFAOYSA-N,C4H4F6N2O,210.08,210.0227817,2.1,32.7,158,0,0,9,2,13,,,0,0,0,1,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"Ether, ethyl isobutyl",627-02-1,69386,1-ethoxy-2-methylpropane,CCOCC(C)C,"InChI=1S/C6H14O/c1-4-7-5-6(2)3/h6H,4-5H2,1-3H3",RQUBQBFVDOLUKC-UHFFFAOYSA-N,C6H14O,102.17,102.1044651,1.8,9.2,33,0,0,1,3,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
"1,3-Butadiene, 1-chloro-",627-22-5,12311,"1-chlorobuta-1,3-diene",C=CC=CCl,"InChI=1S/C4H5Cl/c1-2-3-4-5/h2-4H,1H2",PCPYTNCQOSFKGG-UHFFFAOYSA-N,C4H5Cl,88.53,88.0079779,2.1,0,45,0,0,0,1,5,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,1,1
"2-Propen-1-amine, N-methyl-",627-37-2,69391,N-methylprop-2-en-1-amine,CNCC=C,"InChI=1S/C4H9N/c1-3-4-5-2/h3,5H,1,4H2,2H3",IOXXVNYDGIXMIP-UHFFFAOYSA-N,C4H9N,71.12,71.07349929,0.4,12,24,0,1,1,2,5,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"Selenide, diethyl-",627-53-2,61173,ethylselanylethane,CC[Se]CC,"InChI=1S/C4H10Se/c1-3-5-4-2/h3-4H2,1-2H3",ALCDAWARCQFJBA-UHFFFAOYSA-N,C4H10Se,137.09,137.99477,,0,11,0,0,0,2,5,,,1,0,1,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,1,0
"1-Propanol, 3-chloro-, acetate",628-09-1,12334,3-chloropropyl acetate,CC(=O)OCCCCl,"InChI=1S/C5H9ClO2/c1-5(7)8-4-2-3-6/h2-4H2,1H3",KPOHQIPNNIMWRL-UHFFFAOYSA-N,C5H9ClO2,136.58,136.0291072,1.3,26.3,72,0,0,2,4,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Heptadecanal,629-90-3,71552,heptadecanal,CCCCCCCCCCCCCCCCC=O,"InChI=1S/C17H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h17H,2-16H2,1H3",PIYDVAYKYBWPPY-UHFFFAOYSA-N,C17H34O,254.5,254.2609657,7.6,17.1,154,0,0,1,15,18,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"L-Cysteine, N-(L-gamma-glutamyl)-",636-58-8,123938,(2S)-2-amino-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid,C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N,"InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1",RITKHVBHSGLULN-WHFBIAKZSA-N,C8H14N2O5S,250.27,250.0623427,-3.8,131,284,0,5,7,7,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, azido-, ethyl ester",637-81-0,69480,ethyl 2-azidoacetate,CCOC(=O)CN=[N+]=[N-],"InChI=1S/C4H7N3O2/c1-2-9-4(8)3-6-7-5/h2-3H2,1H3",HVJJYOAPXBPQQV-UHFFFAOYSA-N,C4H7N3O2,129.12,129.0538265,1.6,40.7,139,0,0,4,4,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, N,N-dithiodiethylenedi-",638-44-8,12526,N-[2-(2-acetamidoethyldisulfanyl)ethyl]acetamide,CC(=O)NCCSSCCNC(=O)C,"InChI=1S/C8H16N2O2S2/c1-7(11)9-3-5-13-14-6-4-10-8(2)12/h3-6H2,1-2H3,(H,9,11)(H,10,12)",KIBCSYBEMXURBL-UHFFFAOYSA-N,C8H16N2O2S2,236.4,236.0653201,-0.5,109,168,0,2,4,7,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Octadecanal,638-66-4,12533,octadecanal,CCCCCCCCCCCCCCCCCC=O,"InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3",FWWQKRXKHIRPJY-UHFFFAOYSA-N,C18H36O,268.5,268.2766158,8.1,17.1,165,0,0,1,16,19,,320.00 to 322.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphorodithioic acid, S-(2-(ethylthio)ethyl) O,O-dimethyl ester",640-15-3,12541,2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane,CCSCCSP(=S)(OC)OC,"InChI=1S/C6H15O2PS3/c1-4-11-5-6-12-9(10,7-2)8-3/h4-6H2,1-3H3",OPASCBHCTNRLRM-UHFFFAOYSA-N,C6H15O2PS3,246.4,245.9971802,2.7,101,146,0,0,5,7,12,,110 °C at 0.1 mm Hg,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-Butanesulfonyl fluoride,660-12-8,12615,butane-1-sulfonyl fluoride,CCCCS(=O)(=O)F,"InChI=1S/C4H9FO2S/c1-2-3-4-8(5,6)7/h2-4H2,1H3",NHGWSCVQFRCBSV-UHFFFAOYSA-N,C4H9FO2S,140.18,140.0307289,1.4,42.5,133,0,0,3,3,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"Propane, 1,3-dichloro-1,1,2,2,3,3-hexafluoro-",662-01-1,69580,"1,3-dichloro-1,1,2,2,3,3-hexafluoropropane",C(C(F)(F)Cl)(C(F)(F)Cl)(F)F,"InChI=1S/C3Cl2F6/c4-2(8,9)1(6,7)3(5,10)11",JETINLPZEWINFD-UHFFFAOYSA-N,C3Cl2F6,220.93,219.9281244,3.6,0,138,0,0,6,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propanoic acid, 3,3'-thiobis-, diethyl ester",673-79-0,69603,ethyl 3-(3-ethoxy-3-oxopropyl)sulfanylpropanoate,CCOC(=O)CCSCCC(=O)OCC,"InChI=1S/C10H18O4S/c1-3-13-9(11)5-7-15-8-6-10(12)14-4-2/h3-8H2,1-2H3",VCXUFKFNLUTDAX-UHFFFAOYSA-N,C10H18O4S,234.31,234.0925802,1.3,77.9,174,0,0,5,10,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Decanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-, hydrogen phosphate (2:1)",678-41-1,3022253,"bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) hydrogen phosphate",C(COP(=O)(O)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C20H9F34O4P/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-57-59(55,56)58-4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54/h1-4H2,(H,55,56)",AFWOYEYXUDHGHF-UHFFFAOYSA-N,C20H9F34O4P,990.2,989.9695533,11.3,55.8,1420,0,1,38,20,59,,,0,0,0,1,0,1,1,1,0,0,0,0,0,1,0,0,1,0,1,0
"2-Propenoic acid, 2,2,3,3,4,4-hexafluoro-1,5-pentanediyl ester",678-95-5,2779230,"(2,2,3,3,4,4-hexafluoro-5-prop-2-enoyloxypentyl) prop-2-enoate",C=CC(=O)OCC(C(C(COC(=O)C=C)(F)F)(F)F)(F)F,"InChI=1S/C11H10F6O4/c1-3-7(18)20-5-9(12,13)11(16,17)10(14,15)6-21-8(19)4-2/h3-4H,1-2,5-6H2",DOZNAYNLYNBXKE-UHFFFAOYSA-N,C11H10F6O4,320.18,320.0483278,3.2,52.6,394,0,0,10,10,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Stannane, (isocyanato)tributyl-",681-99-2,120323,tributyl(isocyanato)stannane,CCCC[Sn](CCCC)(CCCC)N=C=O,"InChI=1S/3C4H9.CNO.Sn/c3*1-3-4-2;2-1-3;/h3*1,3-4H2,2H3;;/q;;;-1;+1",YGUNDMHXMXDGII-UHFFFAOYSA-N,C13H27NOSn,332.07,333.111467,,29.4,190,0,0,2,10,16,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"Propionaldehyde, 2-chloro-",683-50-1,135440,2-chloropropanal,CC(C=O)Cl,"InChI=1S/C3H5ClO/c1-3(4)2-5/h2-3H,1H3",UAARVZGODBESIF-UHFFFAOYSA-N,C3H5ClO,92.52,92.0028925,0.7,17.1,35,0,0,1,1,5,,,0,1,1,1,0,1,1,0,1,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, 2-bromo-",683-57-8,69632,2-bromoacetamide,C(C(=O)N)Br,"InChI=1S/C2H4BrNO/c3-1-2(4)5/h1H2,(H2,4,5)",JUIKUQOUMZUFQT-UHFFFAOYSA-N,C2H4BrNO,137.96,136.94763,-0.5,43.1,44,0,1,1,1,5,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-Butanediol, 2-methyl-",684-84-4,12698,"2-methylbutane-1,3-diol",CC(CO)C(C)O,"InChI=1S/C5H12O2/c1-4(3-6)5(2)7/h4-7H,3H2,1-2H3",GNBPEYCZELNJMS-UHFFFAOYSA-N,C5H12O2,104.15,104.0837296,0.1,40.5,45,0,2,2,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Acrylic acid, 3,3-difluoro-2-(trifluoromethyl)-, methyl ester",685-09-6,12701,"methyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate",COC(=O)C(=C(F)F)C(F)(F)F,"InChI=1S/C5H3F5O2/c1-12-4(11)2(3(6)7)5(8,9)10/h1H3",MRJFAPJDIVTPJG-UHFFFAOYSA-N,C5H3F5O2,190.07,190.0053201,1.7,26.3,212,0,0,7,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanol, 2-((2-chloroethyl)thio)-",693-30-1,12737,2-(2-chloroethylsulfanyl)ethanol,C(CSCCCl)O,"InChI=1S/C4H9ClOS/c5-1-3-7-4-2-6/h6H,1-4H2",ZGFPMAMREQRRRB-UHFFFAOYSA-N,C4H9ClOS,140.63,140.0062638,0.6,45.5,34,0,1,2,4,7,,,0,1,1,1,0,1,0,1,0,0,1,0,0,1,0,0,1,0,0,1
Pentyl ether,693-65-2,12743,1-pentoxypentane,CCCCCOCCCCC,"InChI=1S/C10H22O/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3",AOPDRZXCEAKHHW-UHFFFAOYSA-N,C10H22O,158.28,158.1670653,3.7,9.2,53,0,0,1,8,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1-Octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-",754-91-6,69785,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide",C(C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C8H2F17NO2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H2,26,27,28)",RRRXPPIDPYTNJG-UHFFFAOYSA-N,C8H2F17NO2S,499.15,498.9534782,4.8,68.5,730,0,1,20,7,29,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, 2-mercapto-, crude",758-08-7,12961,2-sulfanylacetamide,C(C(=O)N)S,"InChI=1S/C2H5NOS/c3-2(4)1-5/h5H,1H2,(H2,3,4)",GYXHHICIFZSKKZ-UHFFFAOYSA-N,C2H5NOS,91.13,91.00918496,-0.5,44.1,44,0,2,2,1,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Formic acid, methylhydrazide",758-17-8,12962,N-amino-N-methylformamide,CN(C=O)N,"InChI=1S/C2H6N2O/c1-4(3)2-5/h2H,3H2,1H3",RSFOTOSOKJMMCB-UHFFFAOYSA-N,C2H6N2O,74.08,74.04801282,-1,46.3,36,0,1,2,0,5,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propanone, 1,1,1-trichloro-3,3,3-trifluoro-",758-42-9,69796,"1,1,1-trichloro-3,3,3-trifluoropropan-2-one",C(=O)(C(F)(F)F)C(Cl)(Cl)Cl,"InChI=1S/C3Cl3F3O/c4-2(5,6)1(10)3(7,8)9",AVTAIKNWAIKGEV-UHFFFAOYSA-N,C3Cl3F3O,215.38,213.896682,2.9,17.1,146,0,0,4,0,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Allophanic acid, methyl ester",761-89-7,12976,methyl N-carbamoylcarbamate,COC(=O)NC(=O)N,"InChI=1S/C3H6N2O3/c1-8-3(7)5-2(4)6/h1H3,(H3,4,5,6,7)",ICYIIEFSHYSYRV-UHFFFAOYSA-N,C3H6N2O3,118.09,118.0378421,-0.3,81.4,111,0,2,3,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-Pentadiene, 2-methyl-",763-30-4,12987,"2-methylpenta-1,4-diene",CC(=C)CC=C,"InChI=1S/C6H10/c1-4-5-6(2)3/h4H,1-2,5H2,3H3",DRWYRROCDFQZQF-UHFFFAOYSA-N,C6H10,82.14,82.07825032,2.8,0,60,0,0,0,2,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Thiocyanic acid, 2-propenyl ester",764-49-8,69816,prop-2-enyl thiocyanate,C=CCSC#N,"InChI=1S/C4H5NS/c1-2-3-6-4-5/h2H,1,3H2",IFVYHJRLWCUVBB-UHFFFAOYSA-N,C4H5NS,99.16,99.01427034,1.6,49.1,78,0,0,2,2,6,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Decanoic acid, 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-",812-70-4,2783376,"4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid",C(CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O,"InChI=1S/C10H5F15O2/c11-4(12,2-1-3(26)27)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1-2H2,(H,26,27)",HLBRGVKRZQSQHB-UHFFFAOYSA-N,C10H5F15O2,442.12,442.0050018,5.2,37.3,561,0,1,17,8,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Aluminum, (mu-(ethanedioate(2-)-kappaO1,kappaO2':kappaO1',kappaO2))bis(ethanedioato(2-)-kappaO1,kappaO2)di-",814-87-9,93561,dialuminum;oxalate,C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Al+3].[Al+3],"InChI=1S/3C2H2O4.2Al/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6",ZCLVNIZJEKLGFA-UHFFFAOYSA-H,C6Al2O12,318.02,317.902052,,241,60,0,0,12,0,20,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Octanoic acid, vinyl ester (mixed isomers)",818-44-0,13164,ethenyl octanoate,CCCCCCCC(=O)OC=C,"InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h4H,2-3,5-9H2,1H3",QBDADGJLZNIRFQ-UHFFFAOYSA-N,C10H18O2,170.25,170.1306798,3.6,26.3,130,0,0,2,8,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethylamine, N-methyl-N-nitroso-2,2,2-trifluoro-",819-35-2,13168,"N-methyl-N-(2,2,2-trifluoroethyl)nitrous amide",CN(CC(F)(F)F)N=O,"InChI=1S/C3H5F3N2O/c1-8(7-9)2-3(4,5)6/h2H2,1H3",LMGJQNSPQYXKLA-UHFFFAOYSA-N,C3H5F3N2O,142.08,142.0353973,1.3,32.7,102,0,0,6,1,9,,,0,0,0,1,0,1,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Nonanoic acid, 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-",865-79-2,2782473,"9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acid",C(=O)(C(C(C(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C9HClF16O2/c10-9(25,26)8(23,24)7(21,22)6(19,20)5(17,18)4(15,16)3(13,14)2(11,12)1(27)28/h(H,27,28)",QDGYPYFSHOUVLE-UHFFFAOYSA-N,C9HClF16O2,480.53,479.9409576,5.9,37.3,626,0,1,18,8,28,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"Stannane, dichlorodiethyl-",866-55-7,91491,dichloro(diethyl)stannane,CC[Sn](CC)(Cl)Cl,"InChI=1S/2C2H5.2ClH.Sn/c2*1-2;;;/h2*1H2,2H3;2*1H;/q;;;;+2/p-2",YFAXVVMIXZAKSR-UHFFFAOYSA-L,C4H10Cl2Sn,247.74,247.918158,,0,47,0,0,0,2,7,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Phosphorothioic acid, O-(2-(ethylthio)ethyl) O,O-dimethyl ester",867-27-6,13346,2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-lambda5-phosphane,CCSCCOP(=S)(OC)OC,"InChI=1S/C6H15O3PS2/c1-4-12-6-5-9-10(11,7-2)8-3/h4-6H2,1-3H3",ZVZQKNVMDKSGGF-UHFFFAOYSA-N,C6H15O3PS2,230.3,230.0200237,2.3,85.1,146,0,0,5,7,12,,at 0.07kPa: 93Â °C,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Stannane, dichlorodipropyl-",867-36-7,93562,dichloro(dipropyl)stannane,CCC[Sn](CCC)(Cl)Cl,"InChI=1S/2C3H7.2ClH.Sn/c2*1-3-2;;;/h2*1,3H2,2H3;2*1H;/q;;;;+2/p-2",CTRHCENQKGMZLE-UHFFFAOYSA-L,C6H14Cl2Sn,275.79,275.949458,,0,65,0,0,0,4,9,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butanoic acid, 3-(methylamino)-, ethyl ester",870-85-9,247452,ethyl 3-(methylamino)but-2-enoate,CCOC(=O)C=C(C)NC,"InChI=1S/C7H13NO2/c1-4-10-7(9)5-6(2)8-3/h5,8H,4H2,1-3H3",FARYTWBWLZAXNK-UHFFFAOYSA-N,C7H13NO2,143.18,143.0946287,1.6,38.3,141,0,1,3,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrazine, (3-(dimethylamino)propyl)-, dihydrochloride",871-56-7,120422,"3-hydrazinyl-N,N-dimethylpropan-1-amine;dihydrochloride",CN(C)CCCNN.Cl.Cl,"InChI=1S/C5H15N3.2ClH/c1-8(2)5-3-4-7-6;;/h7H,3-6H2,1-2H3;2*1H",PNKFKSQWMBIHPY-UHFFFAOYSA-N,C5H17Cl2N3,190.11,189.0799529,,41.3,44,0,4,3,4,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propanone, 1,1,1--trichloro-",918-00-3,13514,"1,1,1-trichloropropan-2-one",CC(=O)C(Cl)(Cl)Cl,"InChI=1S/C3H3Cl3O/c1-2(7)3(4,5)6/h1H3",SMZHKGXSEAGRTI-UHFFFAOYSA-N,C3H3Cl3O,161.41,159.924948,1.8,17.1,82,0,0,1,0,7,,149 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-mercapto-N-(2-methoxyethyl)acetamide",919-76-6,13525,2-dimethoxyphosphinothioylsulfanyl-N-(2-methoxyethyl)acetamide,COCCNC(=O)CSP(=S)(OC)OC,"InChI=1S/C7H16NO4PS2/c1-10-5-4-8-7(9)6-15-13(14,11-2)12-3/h4-6H2,1-3H3,(H,8,9)",GDTZUQIYUMGJRT-UHFFFAOYSA-N,C7H16NO4PS2,273.3,273.0258373,0.6,114,231,0,1,6,8,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propanone, 1,1,3-trichloro-",921-03-9,13530,"1,1,3-trichloropropan-2-one",C(C(=O)C(Cl)Cl)Cl,"InChI=1S/C3H3Cl3O/c4-1-2(7)3(5)6/h3H,1H2",ZWILTCXCTVMANU-UHFFFAOYSA-N,C3H3Cl3O,161.41,159.924948,1.9,17.1,70,0,0,1,2,7,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-Butadiene, 1,1,2,3-tetrachloro-",921-09-5,13531,"1,1,2,3-tetrachlorobuta-1,3-diene",C=C(C(=C(Cl)Cl)Cl)Cl,InChI=1S/C4H2Cl4/c1-2(5)3(6)4(7)8/h1H2,RCBKHVTUYAGMLB-UHFFFAOYSA-N,C4H2Cl4,191.9,191.888111,3.8,0,131,0,0,0,1,8,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Butyraldehyde, 2-methylene-",922-63-4,70203,2-methylidenebutanal,CCC(=C)C=O,"InChI=1S/C5H8O/c1-3-5(2)4-6/h4H,2-3H2,1H3",GMLDCZYTIPCVMO-UHFFFAOYSA-N,C5H8O,84.12,84.05751487,1.2,17.1,64,0,0,1,2,6,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Acetonitrile, (dimethylamino)-",926-64-7,61237,2-(dimethylamino)acetonitrile,CN(C)CC#N,"InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3",PLXBWEPPAAQASG-UHFFFAOYSA-N,C4H8N2,84.12,84.06874826,0.1,27,66,0,0,2,1,6,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"Ether, ethyl ethynyl",927-80-0,61239,ethynoxyethane,CCOC#C,"InChI=1S/C4H6O/c1-3-5-4-2/h1H,4H2,2H3",WMYNMYVRWWCRPS-UHFFFAOYSA-N,C4H6O,70.09,70.04186481,1.1,9.2,47,0,0,1,2,5,,,0,0,0,0,1,0,1,0,1,0,0,0,0,1,0,0,1,0,1,1
"Thiocyanic acid, 2-chloroethyl ester",928-57-4,70231,2-chloroethyl thiocyanate,C(CCl)SC#N,InChI=1S/C3H4ClNS/c4-1-2-6-3-5/h1-2H2,DYLSBDPBASJBDZ-UHFFFAOYSA-N,C3H4ClNS,121.59,120.975298,1.5,49.1,64,0,0,2,2,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Stannane, chlorotriethyl-",994-31-0,13820,chloro(triethyl)stannane,CC[Sn](CC)(CC)Cl,"InChI=1S/3C2H5.ClH.Sn/c3*1-2;;/h3*1H2,2H3;1H;/q;;;;+1/p-1",PIMYDFDXAUVLON-UHFFFAOYSA-M,C6H15ClSn,241.34,241.988431,,0,51,0,0,0,3,8,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"L-Aspartic acid, N-acetyl-",997-55-7,65065,(2S)-2-acetamidobutanedioic acid,CC(=O)N[C@@H](CC(=O)O)C(=O)O,"InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1",OTCCIMWXFLJLIA-BYPYZUCNSA-N,C6H9NO5,175.14,175.0480724,-1.1,104,212,0,3,5,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Dipropylamine, 2,2'-dimethyl-N-nitroso-",997-95-5,13829,"N,N-bis(2-methylpropyl)nitrous amide",CC(C)CN(CC(C)C)N=O,"InChI=1S/C8H18N2O/c1-7(2)5-10(9-11)6-8(3)4/h7-8H,5-6H2,1-4H3",XLZCLFRMPCBSDI-UHFFFAOYSA-N,C8H18N2O,158.24,158.1419132,2.3,32.7,103,0,0,3,4,11,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Silanamine, N,N'-methane tetraylbis(1,1,1-trimethyl-",1000-70-0,70473,"N,N'-bis(trimethylsilyl)methanediimine",C[Si](C)(C)N=C=N[Si](C)(C)C,"InChI=1S/C7H18N2Si2/c1-10(2,3)8-7-9-11(4,5)6/h1-6H3",KSVMTHKYDGMXFJ-UHFFFAOYSA-N,C7H18N2Si2,186.4,186.1008517,,24.7,156,0,0,2,2,11,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Glycolonitrile, acetate",1001-55-4,13843,cyanomethyl acetate,CC(=O)OCC#N,"InChI=1S/C4H5NO2/c1-4(6)7-3-2-5/h3H2,1H3",AJEHNBIPLQJTNU-UHFFFAOYSA-N,C4H5NO2,99.09,99.0320284,-0.1,50.1,110,0,0,3,2,7,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Stannane, dibutyl-",1002-53-5,6513,dibutylstannane,CCCC[SnH2]CCCC,"InChI=1S/2C4H9.Sn.2H/c2*1-3-4-2;;;/h2*1,3-4H2,2H3;;;",WCRDXYSYPCEIAK-UHFFFAOYSA-N,C8H20Sn,234.95,236.058703,,0,37,0,0,0,6,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ether, 2-ethoxyethyl 2-methoxyethyl",1002-67-1,13847,1-(2-ethoxyethoxy)-2-methoxyethane,CCOCCOCCOC,"InChI=1S/C7H16O3/c1-3-9-6-7-10-5-4-8-2/h3-7H2,1-2H3",CNJRPYFBORAQAU-UHFFFAOYSA-N,C7H16O3,148.2,148.1099444,0,27.7,56,0,0,3,7,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphonic dichloride, ethyl-",1066-50-8,70596,1-dichlorophosphorylethane,CCP(=O)(Cl)Cl,"InChI=1S/C2H5Cl2OP/c1-2-6(3,4)5/h2H2,1H3",OWGJXSYVHQEVHS-UHFFFAOYSA-N,C2H5Cl2OP,146.94,145.9455072,1.3,17.1,75,0,0,1,1,6,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Stannane, tributylmethoxy-",1067-52-3,16683411,tributyl(methoxy)stannane,CCCC[Sn](CCCC)(CCCC)OC,"InChI=1S/3C4H9.CH3O.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;1H3;/q;;;-1;+1",KJGLZJQPMKQFIK-UHFFFAOYSA-N,C13H30OSn,321.09,322.131868,,9.2,115,0,0,1,10,15,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"Stannane, (hydroxy)tributyl-",1067-97-6,6327813,,CCCC[Sn](CCCC)CCCC.O,"InChI=1S/3C4H9.H2O.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H2;",LHHPEAQVCCPLBC-UHFFFAOYSA-N,C12H29OSn,308.07,309.124043,,1,77,0,1,1,9,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1
"Ammonium, O,O-diethyl phosphorodithioate",1068-22-0,12614240,azane;diethoxy-sulfanyl-sulfanylidene-lambda5-phosphane,CCOP(=S)(OCC)S.N,"InChI=1S/C4H11O2PS2.H3N/c1-3-5-7(8,9)6-4-2;/h3-4H2,1-2H3,(H,8,9);1H3",HFRHTRKMBOQLLL-UHFFFAOYSA-N,C4H14NO2PS2,203.3,203.020358,,52.6,107,0,2,5,4,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Octanoic acid, 6,8-dichloro-, ethyl ester",1070-64-0,14053,"ethyl 6,8-dichlorooctanoate",CCOC(=O)CCCCC(CCCl)Cl,"InChI=1S/C10H18Cl2O2/c1-2-14-10(13)6-4-3-5-9(12)7-8-11/h9H,2-8H2,1H3",RFYDWSNYTVVKBR-UHFFFAOYSA-N,C10H18Cl2O2,241.15,240.0683852,3.1,26.3,151,0,0,2,9,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Hexanal, 2-methylene-",1070-66-2,70612,2-methylidenehexanal,CCCCC(=C)C=O,"InChI=1S/C7H12O/c1-3-4-5-7(2)6-8/h6H,2-5H2,1H3",IWEWQGKFUYQGSN-UHFFFAOYSA-N,C7H12O,112.17,112.088815,2.2,17.1,84,0,0,1,4,8,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
Propiolonitrile,1070-71-9,14055,prop-2-ynenitrile,C#CC#N,InChI=1S/C3HN/c1-2-3-4/h1H,LNDJVIYUJOJFSO-UHFFFAOYSA-N,C3HN,51.05,51.01089904,0.5,23.8,84,0,0,1,0,4,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Butyramide, 2-methyl-",1113-57-1,97778,2-methylbutanamide,CCC(C)C(=O)N,"InChI=1S/C5H11NO/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H2,6,7)",XUXJHBAJZQREDB-UHFFFAOYSA-N,C5H11NO,101.15,101.084064,0.5,43.1,70,0,1,1,2,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propanedinitrile, (2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)-",1113-69-5,121014,"2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)propanedinitrile",C(#N)C(=C(C(F)(F)F)C(F)(F)F)C#N,"InChI=1S/C6F6N2/c7-5(8,9)4(6(10,11)12)3(1-13)2-14",PFXBZIOMDHRUQQ-UHFFFAOYSA-N,C6F6N2,214.07,213.996567,2.4,47.6,319,0,0,8,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hexanoic acid, 2-ethyl-2-methyl-",1185-29-1,36646,2-ethyl-2-methylhexanoic acid,CCCCC(C)(CC)C(=O)O,"InChI=1S/C9H18O2/c1-4-6-7-9(3,5-2)8(10)11/h4-7H2,1-3H3,(H,10,11)",LYIMSMCQBKXQDK-UHFFFAOYSA-N,C9H18O2,158.24,158.1306798,3,37.3,132,0,1,2,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-Butanol, 2,2-dimethyl-",1185-33-7,14454,"2,2-dimethylbutan-1-ol",CCC(C)(C)CO,"InChI=1S/C6H14O/c1-4-6(2,3)5-7/h7H,4-5H2,1-3H3",XRMVWAKMXZNZIL-UHFFFAOYSA-N,C6H14O,102.17,102.1044651,1.6,20.2,48,0,1,1,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1,1,3,3-tetraethyl-",1187-03-7,14465,"1,1,3,3-tetraethylurea",CCN(CC)C(=O)N(CC)CC,"InChI=1S/C9H20N2O/c1-5-10(6-2)9(12)11(7-3)8-4/h5-8H2,1-4H3",UWHSPZZUAYSGTB-UHFFFAOYSA-N,C9H20N2O,172.27,172.1575633,1.2,23.6,114,0,0,1,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Biguanide, 1-butyl-, monohydrochloride",1190-53-0,84976,2-butyl-1-(diaminomethylidene)guanidine;hydrochloride,CCCCN=C(N)N=C(N)N.Cl,"InChI=1S/C6H15N5.ClH/c1-2-3-4-10-6(9)11-5(7)8;/h2-4H2,1H3,(H6,7,8,9,10,11);1H",KKLWSPPIRBIEOV-UHFFFAOYSA-N,C6H16ClN5,193.68,193.1094232,,103,156,0,4,1,4,12,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Butenenitrile, (Z)-",1190-76-7,643774,(Z)-but-2-enenitrile,C/C=C\C#N,"InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2-",NKKMVIVFRUYPLQ-IHWYPQMZSA-N,C4H5N,67.09,67.04219916,0.8,23.8,72,0,0,1,0,5,16 °C,,0,0,1,1,0,0,0,1,1,0,0,0,0,1,0,0,1,0,1,1
Alunite dust,1302-91-6,44155713,trialuminum;potassium;hexahydroxide;disulfate,[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3].[Al+3].[K+],"InChI=1S/3Al.K.2H2O4S.6H2O/c;;;;2*1-5(2,3)4;;;;;;/h;;;;2*(H2,1,2,3,4);6*1H2/q3*+3;+1;;;;;;;;/p-10",KPZTWMNLAFDTGF-UHFFFAOYSA-D,Al3H6KO14S2,414.2,413.828219,,183,62,0,6,14,0,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
Nickel selenide (Ni-Se),1314-05-2,62394,selanylidenenickel,[Ni]=[Se],InChI=1S/Ni.Se,QHASIAZYSXZCGO-UHFFFAOYSA-N,NiSe,137.66,137.85186,,0,2,0,0,0,0,2,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,1,0
"Propionic acid, ethoxy-",1331-11-9,61351,3-ethoxypropanoic acid,CCOCCC(=O)O,"InChI=1S/C5H10O3/c1-2-8-4-3-5(6)7/h2-4H2,1H3,(H,6,7)",JRXXEXVXTFEBIY-UHFFFAOYSA-N,C5H10O3,118.13,118.0629942,-0.1,46.5,70,0,1,3,4,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Copper chloride, mixed with copper oxide, hydrate",1332-40-7,11969527,dicopper;chloride;trihydroxide,[OH-].[OH-].[OH-].[Cl-].[Cu+2].[Cu+2],InChI=1S/ClH.2Cu.3H2O/h1H;;;3*1H2/q;2*+2;;;/p-4,SKQUUKNCBWILCD-UHFFFAOYSA-J,ClCu2H3O3,213.57,211.836266,,3,0,0,3,4,0,6,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxy(2-hydroxy-1,2,3-propanetricarboxylato(4-))ferrate(1-)",1336-80-7,46174080,"2-hydroxyethyl(trimethyl)azanium;iron(3+);2-oxidopropane-1,2,3-tricarboxylate;trihydrate",C[N+](C)(C)CCO.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])[O-].O.O.O.[Fe+3],"InChI=1S/C6H7O7.C5H14NO.Fe.3H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-6(2,3)4-5-7;;;;/h1-2H2,(H,7,8)(H,9,10)(H,11,12);7H,4-5H2,1-3H3;;3*1H2/q-1;+1;+3;;;/p-3",UQSASSBWRKBREL-UHFFFAOYSA-K,C11H24FeNO11,402.15,402.069871,,167,257,0,4,11,4,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Lead oxide phosphonate, hemihydrate",1344-40-7,71300865,hydrogen phosphite;bis(lead(2+));oxolead;hydrate,O.OP([O-])[O-].OP([O-])[O-].O=[Pb].O=[Pb].O=[Pb].O=[Pb].[Pb+2].[Pb+2],InChI=1S/2HO3P.H2O.4O.6Pb/c2*1-4(2)3;;;;;;;;;;;/h2*1H;1H2;;;;;;;;;;/q2*-2;;;;;;;;;;2*+2,XTQIDVCLCLXOKX-UHFFFAOYSA-N,H4O11P2Pb6,1480,1486.77985,,202,12,0,3,11,0,19,,,0,0,0,0,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,1
"Propanedioic acid, bis(2-cyanoethyl)-, diethyl ester",1444-05-9,74046,"diethyl 2,2-bis(2-cyanoethyl)propanedioate",CCOC(=O)C(CCC#N)(CCC#N)C(=O)OCC,"InChI=1S/C13H18N2O4/c1-3-18-11(16)13(7-5-9-14,8-6-10-15)12(17)19-4-2/h3-8H2,1-2H3",KAESGTBHXNCAHO-UHFFFAOYSA-N,C13H18N2O4,266.29,266.1266571,0.8,100,373,0,0,6,10,19,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Stannane, bromotributyl-",1461-23-0,305767,bromo(tributyl)stannane,CCCC[Sn](CCCC)(CCCC)Br,"InChI=1S/3C4H9.BrH.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1",FVRKTAOFDKFAMI-UHFFFAOYSA-M,C12H27BrSn,369.96,370.03182,,0,104,0,0,0,9,14,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"Alanine, 3,3'-diselenodi-",1464-43-3,207306,(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]diselanyl]propanoic acid,C([C@@H](C(=O)O)N)[Se][Se]C[C@@H](C(=O)O)N,"InChI=1S/C6H12N2O4Se2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1",JULROCUWKLNBSN-IMJSIDKUSA-N,C6H12N2O4Se2,334.11,335.91275,,127,192,0,4,6,7,14,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Formic acid, dithiobis(thio-, O,O-dimethyl ester",1468-37-7,15115,O-methyl (methoxycarbothioyldisulfanyl)methanethioate,COC(=S)SSC(=S)OC,InChI=1S/C4H6O2S4/c1-5-3(7)9-10-4(8)6-2/h1-2H3,FVCPXLWAKNJIKK-UHFFFAOYSA-N,C4H6O2S4,214.4,213.9250641,2.5,133,119,0,0,6,5,10,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, N,N'-octamethylenebis(2,2-dichloro-",1477-57-2,15134,"2,2-dichloro-N-[8-[(2,2-dichloroacetyl)amino]octyl]acetamide",C(CCCCNC(=O)C(Cl)Cl)CCCNC(=O)C(Cl)Cl,"InChI=1S/C12H20Cl4N2O2/c13-9(14)11(19)17-7-5-3-1-2-4-6-8-18-12(20)10(15)16/h9-10H,1-8H2,(H,17,19)(H,18,20)",FAOMZVDZARKPFJ-UHFFFAOYSA-N,C12H20Cl4N2O2,366.1,366.024939,4.1,58.2,261,0,2,2,11,20,,,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphonous dichloride, ethyl-",1498-40-4,15157,dichloro(ethyl)phosphane,CCP(Cl)Cl,"InChI=1S/C2H5Cl2P/c1-2-5(3)4/h2H2,1H3",JHNJGLVSPIMBLD-UHFFFAOYSA-N,C2H5Cl2P,130.94,129.9505925,1.9,0,21,0,0,0,0,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"2,4-Pentadienoic acid, methyl ester",1515-75-9,6001087,"methyl (2E)-penta-2,4-dienoate",COC(=O)/C=C/C=C,"InChI=1S/C6H8O2/c1-3-4-5-6(7)8-2/h3-5H,1H2,2H3/b5-4+",LJDLNNZTQJVBNJ-SNAWJCMRSA-N,C6H8O2,112.13,112.0524295,1.4,26.3,114,0,0,2,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,3-Butadien-1-ol, acetate",1515-76-0,5363433,"[(1E)-buta-1,3-dienyl] acetate",CC(=O)O/C=C/C=C,"InChI=1S/C6H8O2/c1-3-4-5-8-6(2)7/h3-5H,1H2,2H3/b5-4+",NMQQBXHZBNUXGJ-SNAWJCMRSA-N,C6H8O2,112.13,112.0524295,1.2,26.3,114,0,0,2,3,8,,,0,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Propane, 1,3-diiodo-2,2-bis(iodomethyl)-",1522-88-9,73707,"1,3-diiodo-2,2-bis(iodomethyl)propane",C(C(CI)(CI)CI)I,"InChI=1S/C5H8I4/c6-1-5(2-7,3-8)4-9/h1-4H2",HPMGSGCDKVCZHC-UHFFFAOYSA-N,C5H8I4,575.73,575.6805,5.5,0,51,0,0,0,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Propanol, 3-bromo-2,2-bis(bromoethyl)-",1522-92-5,15206,"3-bromo-2,2-bis(bromomethyl)propan-1-ol",C(C(CBr)(CBr)CBr)O,"InChI=1S/C5H9Br3O/c6-1-5(2-7,3-8)4-9/h9H,1-4H2",QEJPOEGPNIVDMK-UHFFFAOYSA-N,C5H9Br3O,324.84,323.8183,1.9,20.2,64,0,1,1,4,9,,,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Ether, allyl 2,2,2-trifluoroethyl",1524-54-5,15208,"3-(2,2,2-trifluoroethoxy)prop-1-ene",C=CCOCC(F)(F)F,"InChI=1S/C5H7F3O/c1-2-3-9-4-5(6,7)8/h2H,1,3-4H2",NOTCQEKRIPQPAW-UHFFFAOYSA-N,C5H7F3O,140.1,140.0448993,1.8,9.2,86,0,0,4,3,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Butyric acid, 3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-",1547-36-0,15244,"4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid",C(C(=O)O)C(C(F)(F)F)(C(F)(F)F)O,"InChI=1S/C5H4F6O3/c6-4(7,8)3(14,1-2(12)13)5(9,10)11/h14H,1H2,(H,12,13)",NOHJBOWARMTILE-UHFFFAOYSA-N,C5H4F6O3,226.07,226.006463,1.1,57.5,215,0,2,9,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Propionitrile, 3,3'-(methylimino)di-",1555-58-4,73779,3-[2-cyanoethyl(methyl)amino]propanenitrile,CN(CCC#N)CCC#N,"InChI=1S/C7H11N3/c1-10(6-2-4-8)7-3-5-9/h2-3,6-7H2,1H3",NPMCIHCQSNHBDX-UHFFFAOYSA-N,C7H11N3,137.18,137.0952974,-0.4,50.8,148,0,0,3,4,10,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"5-Hexen-3-ol, 3-methyl-",1569-44-4,15288,3-methylhex-5-en-3-ol,CCC(C)(CC=C)O,"InChI=1S/C7H14O/c1-4-6-7(3,8)5-2/h4,8H,1,5-6H2,2-3H3",GBARKLJMQRUBKV-UHFFFAOYSA-N,C7H14O,114.19,114.1044651,1.8,20.2,78,0,1,1,3,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Valeryl chloride, 5-chloro-",1575-61-7,74089,5-chloropentanoyl chloride,C(CCCl)CC(=O)Cl,InChI=1S/C5H8Cl2O/c6-4-2-1-3-5(7)8/h1-4H2,SVNNWKWHLOJLOK-UHFFFAOYSA-N,C5H8Cl2O,155.02,153.9952203,2,17.1,72,0,0,1,4,8,,,0,0,1,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"4-Pentenoic acid, 2-propyl-",1575-72-0,104896,2-propylpent-4-enoic acid,CCCC(CC=C)C(=O)O,"InChI=1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h3,7H,1,4-6H2,2H3,(H,9,10)",UMYDNZXEHYSVFY-UHFFFAOYSA-N,C8H14O2,142.2,142.0993797,2.3,37.3,118,0,1,2,5,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Valeric acid, 2-fluoro-",1578-56-9,98181,2-fluoropentanoic acid,CCCC(C(=O)O)F,"InChI=1S/C5H9FO2/c1-2-3-4(6)5(7)8/h4H,2-3H2,1H3,(H,7,8)",AAYYJYDNERMSOZ-UHFFFAOYSA-N,C5H9FO2,120.12,120.0586577,1.5,37.3,82,0,1,3,3,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"Butyric acid, 2-fluoro-3-methyl-",1578-62-7,15310,2-fluoro-3-methylbutanoic acid,CC(C)C(C(=O)O)F,"InChI=1S/C5H9FO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)",DPPSUGSPUHMWEH-UHFFFAOYSA-N,C5H9FO2,120.12,120.0586577,1.5,37.3,90,0,1,3,2,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Guanidine, N'-cyano-N,N-dimethyl-",1609-06-9,121135,"2-cyano-1,1-dimethylguanidine",CN(C)C(=NC#N)N,"InChI=1S/C4H8N4/c1-8(2)4(6)7-3-5/h1-2H3,(H2,6,7)",TUYAIZHPVZJKIN-UHFFFAOYSA-N,C4H8N4,112.13,112.0748963,-0.5,65.4,137,0,1,2,1,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Penten-1-ol, 2-methyl-",1610-29-3,5362851,(E)-2-methylpent-2-en-1-ol,CC/C=C(\C)/CO,"InChI=1S/C6H12O/c1-3-4-6(2)5-7/h4,7H,3,5H2,1-2H3/b6-4+",KIKXGIRAIYTCRB-GQCTYLIASA-N,C6H12O,100.16,100.088815,1.5,20.2,64,0,1,1,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0
"Biguanide, 1-methyl-, monohydrochloride",1674-62-0,12234208,1-(diaminomethylidene)-2-methylguanidine;hydrochloride,CN=C(N)N=C(N)N.Cl,"InChI=1S/C3H9N5.ClH/c1-7-3(6)8-2(4)5;/h1H3,(H6,4,5,6,7,8);1H",AAYCPBAOUJRPIC-UHFFFAOYSA-N,C3H10ClN5,151.6,151.062473,,103,120,0,4,1,1,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanamine, 2-hydrazino-N,N-dimethyl-",1754-57-0,120552,"2-hydrazinyl-N,N-dimethylethanamine",CN(C)CCNN,"InChI=1S/C4H13N3/c1-7(2)4-3-6-5/h6H,3-5H2,1-2H3",XXYDEJAJDOABCE-UHFFFAOYSA-N,C4H13N3,103.17,103.1109474,-0.9,41.3,35,0,2,3,3,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-Butenoic acid, 4,4,4-trifluoro-3-trifluoromethyl-",1763-28-6,15669,"4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoic acid",C(=C(C(F)(F)F)C(F)(F)F)C(=O)O,"InChI=1S/C5H2F6O2/c6-4(7,8)2(1-3(12)13)5(9,10)11/h1H,(H,12,13)",ZSBJCNVMTCMOBW-UHFFFAOYSA-N,C5H2F6O2,208.06,207.9958983,2.3,37.3,218,0,1,8,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propanone, 1,1,1,3,3-pentachloro-",1768-31-6,15673,"1,1,1,3,3-pentachloropropan-2-one",C(C(=O)C(Cl)(Cl)Cl)(Cl)Cl,"InChI=1S/C3HCl5O/c4-2(5)1(9)3(6,7)8/h2H",RVSIFWBAGVMQKT-UHFFFAOYSA-N,C3HCl5O,230.3,229.844053,3.1,17.1,114,0,0,1,1,9,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Propanediol, 2-nitro-",1794-90-7,120574,"2-nitropropane-1,3-diol",C(C(CO)[N+](=O)[O-])O,"InChI=1S/C3H7NO4/c5-1-3(2-6)4(7)8/h3,5-6H,1-2H2",YTIXGBHAPNMOKU-UHFFFAOYSA-N,C3H7NO4,121.09,121.0375077,-1.3,86.3,73,0,2,4,2,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Octenoic acid, (2E)-",1871-67-6,5282714,(E)-oct-2-enoic acid,CCCCC/C=C/C(=O)O,"InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6+",CWMPPVPFLSZGCY-VOTSOKGWSA-N,C8H14O2,142.2,142.0993797,2.7,37.3,116,0,1,2,5,10,,139.00 to 141.00 °C. @ 13.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-Hexanone, 2,5-dimethyl-",1888-57-9,15901,"2,5-dimethylhexan-3-one",CC(C)CC(=O)C(C)C,"InChI=1S/C8H16O/c1-6(2)5-8(9)7(3)4/h6-7H,5H2,1-4H3",TUIWMHDSXJWXOH-UHFFFAOYSA-N,C8H16O,128.21,128.1201151,2.3,17.1,92,0,0,1,3,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Methanesulfonic acid, butyl ester",1912-32-9,15953,butyl methanesulfonate,CCCCOS(=O)(=O)C,"InChI=1S/C5H12O3S/c1-3-4-5-8-9(2,6)7/h3-5H2,1-2H3",LFLBHTZRLVHUQC-UHFFFAOYSA-N,C5H12O3S,152.21,152.0507154,0.9,51.8,142,0,0,3,4,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"1,4-Butanediol, 2,3-dibromo-, (+,-)-",1947-58-6,16041,"2,3-dibromobutane-1,4-diol",C(C(C(CO)Br)Br)O,"InChI=1S/C4H8Br2O2/c5-3(1-7)4(6)2-8/h3-4,7-8H,1-2H2",OXYNQEOLHRWEPE-UHFFFAOYSA-N,C4H8Br2O2,247.91,247.88706,0.5,40.5,52,0,2,2,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propanol, 1-(methylsulfonyl)-",1977-38-4,121569,1-methylsulfonylpropan-2-ol,CC(CS(=O)(=O)C)O,"InChI=1S/C4H10O3S/c1-4(5)3-8(2,6)7/h4-5H,3H2,1-2H3",KQKZDINYUFBARL-UHFFFAOYSA-N,C4H10O3S,138.19,138.0350654,-0.6,62.8,141,0,1,3,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Silanol, trimethyl-, lithium derivative",2004-14-0,74821,lithium trimethyl(oxido)silane,[Li+].C[Si](C)(C)[O-],"InChI=1S/C3H9OSi.Li/c1-5(2,3)4;/h1-3H3;/q-1;+1",OXOZHAWWRPCVGL-UHFFFAOYSA-N,C3H9LiOSi,96.2,96.05826988,,23.1,32,0,0,1,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Dodecylamine, N,N-dimethyl-, hydrochloride",2016-48-0,16222,"N,N-dimethyldodecan-1-amine;hydrochloride",CCCCCCCCCCCCN(C)C.Cl,"InChI=1S/C14H31N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;/h4-14H2,1-3H3;1H",PGQAXGHQYGXVDC-UHFFFAOYSA-N,C14H32ClN,249.86,249.2223277,,3.2,110,0,1,1,11,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Oxalic acid-d2,2065-73-8,159639,dideuterio oxalate,[2H]OC(=O)C(=O)O[2H],"InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/i/hD2",MUBZPKHOEPUJKR-ZSJDYOACSA-N,C2H2O4,92.05,92.00786203,-0.3,74.6,71,0,2,4,1,6,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Alanine, 3-thiocarbamoyl-, L-",2072-71-1,151277,(2R)-2-amino-3-carbamoylsulfanylpropanoic acid,C([C@@H](C(=O)O)N)SC(=O)N,"InChI=1S/C4H8N2O3S/c5-2(3(7)8)1-10-4(6)9/h2H,1,5H2,(H2,6,9)(H,7,8)/t2-/m0/s1",YOAUVDYBDJTJJP-REOHCLBHSA-N,C4H8N2O3S,164.19,164.0255633,-3.5,132,149,0,3,5,4,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 1-amidino-2-thio-",2/5/14,2724563,diaminomethylidenethiourea,C(=NC(=S)N)(N)N,"InChI=1S/C2H6N4S/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7)",OKGXJRGLYVRVNE-UHFFFAOYSA-N,C2H6N4S,118.16,118.0313174,-1.3,123,102,0,3,1,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"Carbamic acid, 2-methylallyl ester",2114-14-9,16455,2-methylprop-2-enyl carbamate,CC(=C)COC(=O)N,"InChI=1S/C5H9NO2/c1-4(2)3-8-5(6)7/h1,3H2,2H3,(H2,6,7)",MNPKKYZUEZVQNJ-UHFFFAOYSA-N,C5H9NO2,115.13,115.0633285,0.8,52.3,109,0,1,2,3,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Stannanecarbonitrile, tributyl-",2179-92-2,200512,tributylstannylformonitrile,CCCC[Sn](CCCC)(CCCC)C#N,"InChI=1S/3C4H9.CN.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;;",GMYAQHAKWKXYHG-UHFFFAOYSA-N,C13H27NSn,316.07,317.116552,,23.8,170,0,0,1,9,15,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Dipalmitoyl-2-oleoylglycerol",2190-25-2,11308890,"1,3-di(hexadecanoyloxy)propan-2-yl (Z)-octadec-9-enoate",CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC,"InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h25-26,50H,4-24,27-49H2,1-3H3/b26-25-",FDCOHGHEADZEGF-QPLCGJKRSA-N,C53H100O6,833.4,832.7519909,22.1,78.9,870,0,0,6,51,59,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acrylic acid, 2-chloroethyl ester",2206-89-5,16627,2-chloroethyl prop-2-enoate,C=CC(=O)OCCCl,"InChI=1S/C5H7ClO2/c1-2-5(7)8-4-3-6/h2H,1,3-4H2",WHBAYNMEIXUTJV-UHFFFAOYSA-N,C5H7ClO2,134.56,134.0134572,1.1,26.3,90,0,0,2,4,8,,"124 to 127 °F at 760 mmHg (NTP, 1992)",1,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"Butyrimidic acid, ethyl ester, hydrochloride",8/4/08,12235055,ethyl butanimidate;hydrochloride,CCCC(=N)OCC.Cl,"InChI=1S/C6H13NO.ClH/c1-3-5-6(7)8-4-2;/h7H,3-5H2,1-2H3;1H",YGBFFMMKLWVKGU-UHFFFAOYSA-N,C6H14ClNO,151.63,151.0763918,,33.1,70,0,2,2,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Tartaric acid, diisopropyl ester",2217-15-4,6453580,"dipropan-2-yl (2R,3R)-2,3-dihydroxybutanedioate",CC(C)OC(=O)[C@@H]([C@H](C(=O)OC(C)C)O)O,"InChI=1S/C10H18O6/c1-5(2)15-9(13)7(11)8(12)10(14)16-6(3)4/h5-8,11-12H,1-4H3/t7-,8-/m1/s1",XEBCWEDRGPSHQH-HTQZYQBOSA-N,C10H18O6,234.25,234.1103383,0.6,93.1,222,0,2,6,7,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propenoic acid, 2,2,3,3,4,4,5,5-octafluoro-1,6-hexanediyl ester",1/9/64,2775863,"(2,2,3,3,4,4,5,5-octafluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate",C=CC(=O)OCC(C(C(C(COC(=O)C=C)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C12H10F8O4/c1-3-7(21)23-5-9(13,14)11(17,18)12(19,20)10(15,16)6-24-8(22)4-2/h3-4H,1-2,5-6H2",BWTMTZBMAGYMOD-UHFFFAOYSA-N,C12H10F8O4,370.19,370.0451341,3.9,52.6,469,0,0,12,11,24,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphorothioic acid, O,O-dimethyl ester, S-ester with 2-((2-mercaptoethyl)thio)-N-methylpropionamide",2275-23-2,560193,2-(2-dimethoxyphosphorylsulfanylethylsulfanyl)-N-methylpropanamide,CC(C(=O)NC)SCCSP(=O)(OC)OC,"InChI=1S/C8H18NO4PS2/c1-7(8(10)9-2)15-5-6-16-14(11,12-3)13-4/h7H,5-6H2,1-4H3,(H,9,10)",LESVOLZBIFDZGS-UHFFFAOYSA-N,C8H18NO4PS2,287.3,287.0414874,0.3,115,256,0,1,6,8,16,,,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butanoic acid, 4-(trimethylsilyl)-",2345-40-6,12850087,4-trimethylsilylbutanoic acid,C[Si](C)(C)CCCC(=O)O,"InChI=1S/C7H16O2Si/c1-10(2,3)6-4-5-7(8)9/h4-6H2,1-3H3,(H,8,9)",SZCGFQALLUBALV-UHFFFAOYSA-N,C7H16O2Si,160.29,160.0919563,,37.3,115,0,1,2,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acrylic acid, 3-chloro-, (E)-",2345-61-1,638124,(E)-3-chloroprop-2-enoic acid,C(=C/Cl)\C(=O)O,"InChI=1S/C3H3ClO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1+",MHMUCYJKZUZMNJ-OWOJBTEDSA-N,C3H3ClO2,106.51,105.982157,0.7,37.3,76,0,1,2,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Succinic acid, sulfo-, 1,4-dioctyl ester",2373-23-1,15426,"1,4-dioctoxy-1,4-dioxobutane-2-sulfonic acid",CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)O,"InChI=1S/C20H38O7S/c1-3-5-7-9-11-13-15-26-19(21)17-18(28(23,24)25)20(22)27-16-14-12-10-8-6-4-2/h18H,3-17H2,1-2H3,(H,23,24,25)",OXLXSOPFNVKUMU-UHFFFAOYSA-N,C20H38O7S,422.6,422.2338247,5.7,115,511,0,1,7,20,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Alanine, 3-((carboxymethyl)thio)-",2387-59-9,1080,2-amino-3-(carboxymethylsulfanyl)propanoic acid,C(C(C(=O)O)N)SCC(=O)O,"InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)",GBFLZEXEOZUWRN-UHFFFAOYSA-N,C5H9NO4S,179.2,179.0252289,-3.1,126,161,0,3,6,5,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-Octanol, 7-methyl-",2430-22-0,17072,7-methyloctan-1-ol,CC(C)CCCCCCO,"InChI=1S/C9H20O/c1-9(2)7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3",QDTDKYHPHANITQ-UHFFFAOYSA-N,C9H20O,144.25,144.1514153,3.5,20.2,59,0,1,1,6,10,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Tetrasulfide, di-2-propenyl",2444-49-7,75552,3-(prop-2-enyltetrasulfanyl)prop-1-ene,C=CCSSSSCC=C,"InChI=1S/C6H10S4/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-6H2",RMKCQUWJDRTEHE-UHFFFAOYSA-N,C6H10S4,210.4,209.966535,3.1,101,79,0,0,4,7,10,,279.00 to 280.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, nitro-, methyl ester",2483-57-0,17206,methyl 2-nitroacetate,COC(=O)C[N+](=O)[O-],"InChI=1S/C3H5NO4/c1-8-3(5)2-4(6)7/h2H2,1H3",ALBSWLMUHHZLLR-UHFFFAOYSA-N,C3H5NO4,119.08,119.0218576,0.1,72.1,104,0,0,4,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Glycine, N-formyl-",2491-15-8,75606,2-formamidoacetic acid,C(C(=O)O)NC=O,"InChI=1S/C3H5NO3/c5-2-4-1-3(6)7/h2H,1H2,(H,4,5)(H,6,7)",UGJBHEZMOKVTIM-UHFFFAOYSA-N,C3H5NO3,103.08,103.026943,-0.9,66.4,80,0,2,3,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphorothioic acid, O,O-diethyl S-(2-(ethylsulfinyl)ethyl)ester",2496-92-6,17240,1-diethoxyphosphorylsulfanyl-2-ethylsulfinylethane,CCOP(=O)(OCC)SCCS(=O)CC,"InChI=1S/C8H19O4PS2/c1-4-11-13(9,12-5-2)14-7-8-15(10)6-3/h4-8H2,1-3H3",RWRHZQVSYSDUSM-UHFFFAOYSA-N,C8H19O4PS2,274.3,274.0462384,0,97.1,225,0,0,6,9,15,,,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphorodithioic acid, O,O-diethyl S-(2-(ethylsulfonyl)ethyl)ester",6/5/97,17241,diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-lambda5-phosphane,CCOP(=S)(OCC)SCCS(=O)(=O)CC,"InChI=1S/C8H19O4PS3/c1-4-11-13(14,12-5-2)15-7-8-16(9,10)6-3/h4-8H2,1-3H3",BKVJOVPVLOJPKJ-UHFFFAOYSA-N,C8H19O4PS3,306.4,306.0183096,1.9,118,313,0,0,6,9,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"t-Butylamine, N-methyl-N-nitroso-",2504-18-9,75630,N-tert-butyl-N-methylnitrous amide,CC(C)(C)N(C)N=O,"InChI=1S/C5H12N2O/c1-5(2,3)7(4)6-8/h1-4H3",YDNOESAJRGHRAE-UHFFFAOYSA-N,C5H12N2O,116.16,116.094963,0.8,32.7,84,0,0,3,1,8,,,0,1,1,1,0,1,0,0,1,0,0,0,0,1,0,0,0,0,0,0
"Ethylene glycol, bis(trichloroacetate)",2514-53-6,17284,"2-(2,2,2-trichloroacetyl)oxyethyl 2,2,2-trichloroacetate",C(COC(=O)C(Cl)(Cl)Cl)OC(=O)C(Cl)(Cl)Cl,"InChI=1S/C6H4Cl6O4/c7-5(8,9)3(13)15-1-2-16-4(14)6(10,11)12/h1-2H2",SSDZRWBPFCFZGB-UHFFFAOYSA-N,C6H4Cl6O4,352.8,351.821125,3.7,52.6,239,0,0,4,5,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Acetic acid, 2-butoxy-",2516-93-0,41958,2-butoxyacetic acid,CCCCOCC(=O)O,"InChI=1S/C6H12O3/c1-2-3-4-9-5-6(7)8/h2-5H2,1H3,(H,7,8)",AJQOASGWDCBKCJ-UHFFFAOYSA-N,C6H12O3,132.16,132.0786442,0.9,46.5,80,0,1,3,5,9,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"Phosphorodithioic acid, O,O,S-triethyl ester",9/6/24,17306,diethoxy-ethylsulfanyl-sulfanylidene-lambda5-phosphane,CCOP(=S)(OCC)SCC,"InChI=1S/C6H15O2PS2/c1-4-7-9(10,8-5-2)11-6-3/h4-6H2,1-3H3",BZVCTTJRBWHTOF-UHFFFAOYSA-N,C6H15O2PS2,214.3,214.0251091,2.8,75.9,131,0,0,4,6,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,12-Octadecadienoic acid, (9Z,12E)-",2540-56-9,5280644,"(9Z,11E)-octadeca-9,11-dienoic acid",CCCCCC/C=C/C=C\CCCCCCCC(=O)O,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9-",JBYXPOFIGCOSSB-GOJKSUSPSA-N,C18H32O2,280.4,280.2402303,7.1,37.3,267,0,1,2,14,20,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphorochloridic acid, diisopropyl ester",2574-25-6,164989,2-[chloro(propan-2-yloxy)phosphoryl]oxypropane,CC(C)OP(=O)(OC(C)C)Cl,"InChI=1S/C6H14ClO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3",GUFGWNUUDBGEGH-UHFFFAOYSA-N,C6H14ClO3P,200.6,200.036909,1.4,35.5,144,0,0,3,4,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
Propionohydroxamic acid,2580-63-4,75743,N-hydroxypropanamide,CCC(=O)NO,"InChI=1S/C3H7NO2/c1-2-3(5)4-6/h6H,2H2,1H3,(H,4,5)",RSIPQHOWTCNEBI-UHFFFAOYSA-N,C3H7NO2,89.09,89.04767847,-0.5,49.3,52,0,2,2,1,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphorodithioic acid, O,O-diethyl S-((ethylsulfinyl)methyl) ester",3/6/88,17424,diethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidene-lambda5-phosphane,CCOP(=S)(OCC)SCS(=O)CC,"InChI=1S/C7H17O3PS3/c1-4-9-11(12,10-5-2)13-7-14(8)6-3/h4-7H2,1-3H3",XRQHTUDGPWMPKX-UHFFFAOYSA-N,C7H17O3PS3,276.4,276.0077449,3.5,112,212,0,0,6,8,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphorodithioic acid, O,O-diethyl S-((ethylsulfonyl)methyl) ester",4/7/88,17425,diethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidene-lambda5-phosphane,CCOP(=S)(OCC)SCS(=O)(=O)CC,"InChI=1S/C7H17O4PS3/c1-4-10-12(13,11-5-2)14-7-15(8,9)6-3/h4-7H2,1-3H3",YVPSNUIHHFTTRL-UHFFFAOYSA-N,C7H17O4PS3,292.4,292.0026595,3.7,118,299,0,0,6,8,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamic acid, acetyl-, ethyl ester",2597-54-8,17436,ethyl N-acetylcarbamate,CCOC(=O)NC(=O)C,"InChI=1S/C5H9NO3/c1-3-9-5(8)6-4(2)7/h3H2,1-2H3,(H,6,7,8)",CLLOFODTUXGHHT-UHFFFAOYSA-N,C5H9NO3,131.13,131.0582431,0.1,55.4,121,0,1,3,2,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propanenitrile, 2,3-dichloro-",2601-89-0,92935,"2,3-dichloropropanenitrile",C(C(C#N)Cl)Cl,"InChI=1S/C3H3Cl2N/c4-1-3(5)2-6/h3H,1H2",RJJDLPQZNANQDQ-UHFFFAOYSA-N,C3H3Cl2N,123.97,122.9642545,1.2,23.8,72,0,0,1,1,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Propanediol, 2-isopropyl-",2612-27-3,200734,"2-propan-2-ylpropane-1,3-diol",CC(C)C(CO)CO,"InChI=1S/C6H14O2/c1-5(2)6(3-7)4-8/h5-8H,3-4H2,1-2H3",VVOISBSEMFDYNE-UHFFFAOYSA-N,C6H14O2,118.17,118.0993797,0.4,40.5,48,0,2,2,3,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Glycinamide, N-acetyl-",2620-63-5,28326,2-acetamidoacetamide,CC(=O)NCC(=O)N,"InChI=1S/C4H8N2O2/c1-3(7)6-2-4(5)8/h2H2,1H3,(H2,5,8)(H,6,7)",WQELDIQOHGAHEM-UHFFFAOYSA-N,C4H8N2O2,116.12,116.0585775,-1.8,72.2,111,0,2,2,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-Cysteine, S-ethyl-",2629-59-6,92185,(2R)-2-amino-3-ethylsulfanylpropanoic acid,CCSC[C@@H](C(=O)O)N,"InChI=1S/C5H11NO2S/c1-2-9-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",ULXKXLZEOGLCRJ-BYPYZUCNSA-N,C5H11NO2S,149.21,149.0510498,-2.3,88.6,97,0,2,4,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Acrolein, 3,3-dichloro-",2648-51-3,17554,"3,3-dichloroprop-2-enal",C(=C(Cl)Cl)C=O,InChI=1S/C3H2Cl2O/c4-3(5)1-2-6/h1-2H,YCOYDSQEOWWYDT-UHFFFAOYSA-N,C3H2Cl2O,124.95,123.9482701,1.4,17.1,72,0,0,1,1,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Carbonic acid, dithio-, O-propyl ester, potassium salt",2720-67-4,23691005,potassium propoxymethanedithioate,CCCOC(=S)[S-].[K+],"InChI=1S/C4H8OS2.K/c1-2-3-5-4(6)7;/h2-3H2,1H3,(H,6,7);/q;+1/p-1",NZUFLKMNMAHESJ-UHFFFAOYSA-M,C4H7KOS2,174.3,173.9575387,,42.3,67,0,0,3,3,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Carbonic acid, dithio-, O-hexyl ester, potassium salt",2720-76-5,23691006,potassium hexoxymethanedithioate,CCCCCCOC(=S)[S-].[K+],"InChI=1S/C7H14OS2.K/c1-2-3-4-5-6-8-7(9)10;/h2-6H2,1H3,(H,9,10);/q;+1/p-1",ZTHBGWDIOJXYNC-UHFFFAOYSA-M,C7H13KOS2,216.4,216.0044889,,42.3,98,0,0,3,6,11,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Stannane, dibromodimethyl-",2767-47-7,165027,dibromo(dimethyl)stannane,C[Sn](C)(Br)Br,InChI=1S/2CH3.2BrH.Sn/h2*1H3;2*1H;/q;;;;+2/p-2,DOHQOGRRQASQAR-UHFFFAOYSA-L,C2H6Br2Sn,308.59,309.78378,,0,30,0,0,0,0,5,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Propionaldehyde, 3-ethoxy-",2806-85-1,17755,3-ethoxypropanal,CCOCCC=O,"InChI=1S/C5H10O2/c1-2-7-5-3-4-6/h4H,2-3,5H2,1H3",RKSGQXSDRYHVTM-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,-0.1,26.3,43,0,0,2,4,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,3-Propanediol, 2-tert-butyl-",5/8/19,100226,"2-tert-butylpropane-1,3-diol",CC(C)(C)C(CO)CO,"InChI=1S/C7H16O2/c1-7(2,3)6(4-8)5-9/h6,8-9H,4-5H2,1-3H3",LQPVVSDKTCYYBZ-UHFFFAOYSA-N,C7H16O2,132.2,132.1150297,0.8,40.5,69,0,2,2,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, (tetradecylthio)-",2921-20-2,114924,2-tetradecylsulfanylacetic acid,CCCCCCCCCCCCCCSCC(=O)O,"InChI=1S/C16H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-16(17)18/h2-15H2,1H3,(H,17,18)",IPBCWPPBAWQYOO-UHFFFAOYSA-N,C16H32O2S,288.5,288.2123014,7.1,62.6,195,0,1,3,15,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Phosphorocyanidic acid, O,O-diethyl ester",2942-58-7,76257,diethoxyphosphorylformonitrile,CCOP(=O)(C#N)OCC,"InChI=1S/C5H10NO3P/c1-3-8-10(7,5-6)9-4-2/h3-4H2,1-2H3",ZWWWLCMDTZFSOO-UHFFFAOYSA-N,C5H10NO3P,163.11,163.0398302,0.3,59.3,173,0,0,4,4,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Stannane, tetraisopropyl-",2949-42-0,18063,tetra(propan-2-yl)stannane,CC(C)[Sn](C(C)C)(C(C)C)C(C)C,"InChI=1S/4C3H7.Sn/c4*1-3-2;/h4*3H,1-2H3;",NJASUIDIZMMYED-UHFFFAOYSA-N,C12H28Sn,291.06,292.121303,,0,108,0,0,0,4,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Citric acid, lanthanum(3+) salt(1:1)",3002-52-6,87302278,"2-hydroxypropane-1,2,3-tricarboxylic acid;lanthanum",C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[La],"InChI=1S/C6H8O7.La/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);",KDEIPINVCPEDHK-UHFFFAOYSA-N,C6H8LaO7,331.03,330.933366,,132,227,0,4,7,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
Neodymium citrate,3002-54-8,76356,"2-hydroxypropane-1,2,3-tricarboxylate;neodymium(3+)",C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Nd+3],"InChI=1S/C6H8O7.Nd/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3",HSULNFGSJFUXON-UHFFFAOYSA-K,C6H5NdO7,333.34,330.91126,,141,211,0,1,7,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Butyramidine, hydrochloride",3020-81-3,12828983,butanimidamide;hydrochloride,CCCC(=N)N.Cl,"InChI=1S/C4H10N2.ClH/c1-2-3-4(5)6;/h2-3H2,1H3,(H3,5,6);1H",STYCVEYASXULRN-UHFFFAOYSA-N,C4H11ClN2,122.6,122.0610761,,49.9,49,0,3,1,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ether, 1,3-butadienyl methyl",3036-66-6,5462719,"(1E)-1-methoxybuta-1,3-diene",CO/C=C/C=C,"InChI=1S/C5H8O/c1-3-4-5-6-2/h3-5H,1H2,2H3/b5-4+",KOCUMXQOUWPSLK-SNAWJCMRSA-N,C5H8O,84.12,84.05751487,1.5,9.2,55,0,0,1,2,6,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Acrolein, diethylacetal",3054-95-3,62477,"3,3-diethoxyprop-1-ene",CCOC(C=C)OCC,"InChI=1S/C7H14O2/c1-4-7(8-5-2)9-6-3/h4,7H,1,5-6H2,2-3H3",MCIPQLOKVXSHTD-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,1.4,18.5,65,0,0,2,5,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"L-Glutamine, N-ethyl-",3081-61-6,439378,(2S)-2-amino-5-(ethylamino)-5-oxopentanoic acid,CCNC(=O)CC[C@@H](C(=O)O)N,"InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1",DATAGRPVKZEWHA-YFKPBYRVSA-N,C7H14N2O3,174.2,174.1004423,-3.6,92.4,170,0,3,4,5,12,,214-216 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
Isobutyl sulfoxide,3085-40-3,18328,2-methyl-1-(2-methylpropylsulfinyl)propane,CC(C)CS(=O)CC(C)C,"InChI=1S/C8H18OS/c1-7(2)5-10(9)6-8(3)4/h7-8H,5-6H2,1-4H3",MCDJZKPTBCWNSJ-UHFFFAOYSA-N,C8H18OS,162.3,162.1078364,1.9,36.3,95,0,0,2,4,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Ethanol, 2,2'-sulfinylbis-",3085-45-8,18330,2-(2-hydroxyethylsulfinyl)ethanol,C(CS(=O)CCO)O,"InChI=1S/C4H10O3S/c5-1-3-8(7)4-2-6/h5-6H,1-4H2",XHKPPUVICXLDRJ-UHFFFAOYSA-N,C4H10O3S,138.19,138.0350654,-2.1,76.7,65,0,2,4,4,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Stannane, tributyl(oleoyloxy)-",3090-35-5,16684076,tributylstannyl (Z)-octadec-9-enoate,CCCCCCCC/C=C\CCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC,"InChI=1S/C18H34O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*1-3-4-2;/h9-10H,2-8,11-17H2,1H3,(H,19,20);3*1,3-4H2,2H3;/q;;;;+1/p-1/b10-9-;;;;",VAFVPAKNJFBOFX-HKIWRJGFSA-M,C30H60O2Sn,571.5,572.361534,,26.3,425,0,0,2,26,33,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"Stannane, (lauroyloxy)tributyl-",3090-36-6,16683295,tributylstannyl dodecanoate,CCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC,"InChI=1S/C12H24O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;3*1-3-4-2;/h2-11H2,1H3,(H,13,14);3*1,3-4H2,2H3;/q;;;;+1/p-1",HFFZSMFXOBHQLV-UHFFFAOYSA-M,C24H50O2Sn,489.4,490.283283,,26.3,309,0,0,2,21,27,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"Hexanoic acid, 2-butyl-",3115-28-4,18379,2-butylhexanoic acid,CCCCC(CCCC)C(=O)O,"InChI=1S/C10H20O2/c1-3-5-7-9(10(11)12)8-6-4-2/h9H,3-8H2,1-2H3,(H,11,12)",KQYRYPXQPKPVSP-UHFFFAOYSA-N,C10H20O2,172.26,172.1463299,3.2,37.3,113,0,1,2,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonium, tetrabutyl-, iodide",3115-66-0,201022,tetrabutylphosphanium iodide,CCCC[P+](CCCC)(CCCC)CCCC.[I-],"InChI=1S/C16H36P.HI/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1",CCIYPTIBRAUPLQ-UHFFFAOYSA-M,C16H36IP,386.33,386.15994,,0,116,0,0,1,12,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-Butanesulfonamide,4/5/44,18460,butane-1-sulfonamide,CCCCS(=O)(=O)N,"InChI=1S/C4H11NO2S/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H2,5,6,7)",OVIZSQRQYWEGON-UHFFFAOYSA-N,C4H11NO2S,137.2,137.0510498,0.2,68.5,133,0,1,3,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Butanesulfonamide, 4-chloro-",6/7/44,18461,4-chlorobutane-1-sulfonamide,C(CCCl)CS(=O)(=O)N,"InChI=1S/C4H10ClNO2S/c5-3-1-2-4-9(6,7)8/h1-4H2,(H2,6,7,8)",JTGPQGWEMUOOCR-UHFFFAOYSA-N,C4H10ClNO2S,171.65,171.0120774,0.2,68.5,148,0,1,3,4,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propene, 1-nitro-",3156-70-5,637919,(E)-1-nitroprop-1-ene,C/C=C/[N+](=O)[O-],"InChI=1S/C3H5NO2/c1-2-3-4(5)6/h2-3H,1H3/b3-2+",RIHXMHKNTLBIPJ-NSCUHMNNSA-N,C3H5NO2,87.08,87.0320284,0.9,45.8,71,0,0,2,0,6,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,3-Pentanediol",3174-67-2,151085,"pentane-1,3-diol",CCC(CCO)O,"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3",RUOPINZRYMFPBF-UHFFFAOYSA-N,C5H12O2,104.15,104.0837296,0.2,40.5,37,0,2,2,3,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Ethanol, 2,2'-((2-aminoethyl)imino)bis-",6/6/97,98535,2-[2-aminoethyl(2-hydroxyethyl)amino]ethanol,C(CN(CCO)CCO)N,"InChI=1S/C6H16N2O2/c7-1-2-8(3-5-9)4-6-10/h9-10H,1-7H2",CYOIAXUAIXVWMU-UHFFFAOYSA-N,C6H16N2O2,148.2,148.1211778,-1.3,69.7,64,0,3,4,6,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Thiopyrophosphoric acid, tetrapropyl ester",3244-90-4,18609,dipropoxyphosphinothioyloxy-dipropoxy-sulfanylidene-lambda5-phosphane,CCCOP(=S)(OCCC)OP(=S)(OCCC)OCCC,"InChI=1S/C12H28O5P2S2/c1-5-9-13-18(20,14-10-6-2)17-19(21,15-11-7-3)16-12-8-4/h5-12H2,1-4H3",IIDFEIDMIKSJSV-UHFFFAOYSA-N,C12H28O5P2S2,378.4,378.0853403,6,110,299,0,0,7,14,21,149 °C,"170 °C at l.0 mm Hg (Technical product, 93-96% pure)",1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Stannane, acetoxytripropyl-",3267-78-5,16682972,tripropylstannyl acetate,CCC[Sn](CCC)(CCC)OC(=O)C,"InChI=1S/3C3H7.C2H4O2.Sn/c3*1-3-2;1-2(3)4;/h3*1,3H2,2H3;1H3,(H,3,4);/q;;;;+1/p-1",LSBFRYCHYLHPSU-UHFFFAOYSA-M,C11H24O2Sn,307.02,308.079833,,26.3,152,0,0,2,8,14,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Thiocyanic acid, chloromethyl ester",3268-79-9,76755,chloromethyl thiocyanate,C(SC#N)Cl,InChI=1S/C2H2ClNS/c3-1-5-2-4/h1H2,UXUCVNXUWOLPRU-UHFFFAOYSA-N,C2H2ClNS,107.56,106.9596479,1.6,49.1,53,0,0,2,1,5,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Guanidine, (2-(diethylamino)ethyl)-, sulfate (1:1)",3272-63-7,230052,2-[2-(diethylamino)ethyl]guanidine;sulfuric acid,CCN(CC)CCN=C(N)N.OS(=O)(=O)O,"InChI=1S/C7H18N4.H2O4S/c1-3-11(4-2)6-5-10-7(8)9;1-5(2,3)4/h3-6H2,1-2H3,(H4,8,9,10);(H2,1,2,3,4)",WNPCZRJBOPAEFM-UHFFFAOYSA-N,C7H20N4O4S,256.33,256.1205263,,151,195,0,4,6,5,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Hexanoic acid, 2-propyl-",3274-28-0,18647,2-propylhexanoic acid,CCCCC(CCC)C(=O)O,"InChI=1S/C9H18O2/c1-3-5-7-8(6-4-2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11)",HWXRWNDOEKHFTL-UHFFFAOYSA-N,C9H18O2,158.24,158.1306798,3,37.3,110,0,1,2,6,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propionic acid, 2,2,3-trichloro-",3278-46-4,18660,"2,2,3-trichloropropanoic acid",C(C(C(=O)O)(Cl)Cl)Cl,"InChI=1S/C3H3Cl3O2/c4-1-3(5,6)2(7)8/h1H2,(H,7,8)",QZEKHJXYZSJVCL-UHFFFAOYSA-N,C3H3Cl3O2,177.41,175.919862,1.5,37.3,101,0,1,2,2,8,,,1,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-Butanone, 4-diethylamino-",3299-38-5,18694,4-(diethylamino)butan-2-one,CCN(CC)CCC(=O)C,"InChI=1S/C8H17NO/c1-4-9(5-2)7-6-8(3)10/h4-7H2,1-3H3",XLEOCTUCGZANAC-UHFFFAOYSA-N,C8H17NO,143.23,143.1310142,0.7,20.3,97,0,0,2,5,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Succinic acid, mercapto-, diethyl ester, S-ester with O,S-dimethyl phosphorodithioate",12/5/44,91529,diethyl 2-[methoxy(methylsulfanyl)phosphoryl]sulfanylbutanedioate,CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)SC,"InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(13,14-3)18-4/h8H,5-7H2,1-4H3",LPQDGVLVYVULMX-UHFFFAOYSA-N,C10H19O6PS2,330.4,330.0360677,1,130,349,0,0,8,11,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propanedioic acid, methylene-, diethyl ester",3377-20-6,95118,diethyl 2-methylidenepropanedioate,CCOC(=O)C(=C)C(=O)OCC,"InChI=1S/C8H12O4/c1-4-11-7(9)6(3)8(10)12-5-2/h3-5H2,1-2H3",BQHDXNZNSPVVKB-UHFFFAOYSA-N,C8H12O4,172.18,172.0735589,1.5,52.6,175,0,0,4,6,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"1-Butene, 4-isothiocyanato-",3386-97-8,76922,4-isothiocyanatobut-1-ene,C=CCCN=C=S,"InChI=1S/C5H7NS/c1-2-3-4-6-5-7/h2H,1,3-4H2",SKIHGKNFJKJXPX-UHFFFAOYSA-N,C5H7NS,113.18,113.0299204,2.7,44.5,92,0,0,2,3,7,,163.00 to 164.00 °C. @ 760.00 mm Hg,1,1,1,1,0,0,1,1,1,0,0,0,0,0,1,0,1,1,0,1
"Serine, 2-methyl-",3398-40-1,94309,2-amino-3-hydroxy-2-methylpropanoic acid,CC(CO)(C(=O)O)N,"InChI=1S/C4H9NO3/c1-4(5,2-6)3(7)8/h6H,2,5H2,1H3,(H,7,8)",CDUUKBXTEOFITR-UHFFFAOYSA-N,C4H9NO3,119.12,119.0582431,-3.9,83.6,103,0,3,4,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"tert-Butylamine, N-ethyl-N-nitroso-",3398-69-4,18835,N-tert-butyl-N-ethylnitrous amide,CCN(C(C)(C)C)N=O,"InChI=1S/C6H14N2O/c1-5-8(7-9)6(2,3)4/h5H2,1-4H3",AEMBWNDIEFEPTH-UHFFFAOYSA-N,C6H14N2O,130.19,130.1106131,1.5,32.7,95,0,0,3,2,9,,,0,0,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Propane, 2-bromo-1,1-diethoxy-",3400-55-3,103001,"2-bromo-1,1-diethoxypropane",CCOC(C(C)Br)OCC,"InChI=1S/C7H15BrO2/c1-4-9-7(6(3)8)10-5-2/h6-7H,4-5H2,1-3H3",AHIUAFXWZKCJLR-UHFFFAOYSA-N,C7H15BrO2,211.1,210.02554,2,18.5,72,0,0,2,5,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butane, 1,2,3,4-tetrachloro-",3405-32-1,18854,"1,2,3,4-tetrachlorobutane",C(C(C(CCl)Cl)Cl)Cl,"InChI=1S/C4H6Cl4/c5-1-3(7)4(8)2-6/h3-4H,1-2H2",IXZVKECRTHXEEW-UHFFFAOYSA-N,C4H6Cl4,195.9,195.919411,2.7,0,48,0,0,0,3,8,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, 1-methylhydrazide",3530-13-0,19051,N-methylacetohydrazide,CC(=O)N(C)N,"InChI=1S/C3H8N2O/c1-3(6)5(2)4/h4H2,1-2H3",XDIIJQFNVMXIJQ-UHFFFAOYSA-N,C3H8N2O,88.11,88.06366288,-1,46.3,61,0,1,2,0,6,,,0,0,0,1,0,1,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Glycine, N-hydroxy-",3545-78-6,19070,2-(hydroxyamino)acetic acid,C(C(=O)O)NO,"InChI=1S/C2H5NO3/c4-2(5)1-3-6/h3,6H,1H2,(H,4,5)",NPWGWQRXHVJJRD-UHFFFAOYSA-N,C2H5NO3,91.07,91.02694302,-3.3,69.6,52,0,3,4,2,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pentene, 1-chloro-5-methoxy-",3577-82-0,5781154,(E)-1-chloro-5-methoxypent-2-ene,COCC/C=C/CCl,"InChI=1S/C6H11ClO/c1-8-6-4-2-3-5-7/h2-3H,4-6H2,1H3/b3-2+",SJZGFAXZLBJENP-NSCUHMNNSA-N,C6H11ClO,134.6,134.0498427,1.4,9.2,61,0,0,1,4,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propane, 1,1,1,3,3,3-hexachloro-",3607-78-1,19215,"1,1,1,3,3,3-hexachloropropane",C(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,"InChI=1S/C3H2Cl6/c4-2(5,6)1-3(7,8)9/h1H2",BBEAZDGZMVABIC-UHFFFAOYSA-N,C3H2Cl6,250.8,249.825816,4.3,0,73,0,0,0,0,9,,,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Octanal, 3,7-dimethyl-7-ethoxy-",3613-33-0,160707,"7-ethoxy-3,7-dimethyloctanal",CCOC(C)(C)CCCC(C)CC=O,"InChI=1S/C12H24O2/c1-5-14-12(3,4)9-6-7-11(2)8-10-13/h10-11H,5-9H2,1-4H3",JACNKCPPJDIHTK-UHFFFAOYSA-N,C12H24O2,200.32,200.17763,2.5,26.3,152,0,0,2,8,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Isobutyric acid, hydrazide",3619-17-8,19239,2-methylpropanehydrazide,CC(C)C(=O)NN,"InChI=1S/C4H10N2O/c1-3(2)4(7)6-5/h3H,5H2,1-2H3,(H,6,7)",PLNNJQXIITYYTN-UHFFFAOYSA-N,C4H10N2O,102.14,102.0793129,-0.6,55.1,70,0,2,2,1,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetonitrile, 2(N-methyl-N-nitroso)amino-",3684-97-7,19376,N-(cyanomethyl)-N-methylnitrous amide,CN(CC#N)N=O,"InChI=1S/C3H5N3O/c1-6(5-7)3-2-4/h3H2,1H3",KJIVJRGXJXQEQK-UHFFFAOYSA-N,C3H5N3O,99.09,99.04326179,0,56.5,102,0,0,4,1,7,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,3-Propanetriamine, N(sup 1),N(sup 3)-bis(2-ethylhexyl)-2-methyl-",3687-16-9,107147,"1-N,3-N-bis(2-ethylhexyl)-2-methylpropane-1,2,3-triamine",CCCCC(CC)CNCC(C)(CNCC(CC)CCCC)N,"InChI=1S/C20H45N3/c1-6-10-12-18(8-3)14-22-16-20(5,21)17-23-15-19(9-4)13-11-7-2/h18-19,22-23H,6-17,21H2,1-5H3",STNVDPRWLDHKCY-UHFFFAOYSA-N,C20H45N3,327.6,327.3613484,4.9,50.1,233,0,3,3,16,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Phosphorothioic acid, S-(2-aminoethyl) ester, monosodium salt",3724-89-8,16219168,,C(CSP(=O)(O)O)N.[Na],"InChI=1S/C2H8NO3PS.Na/c3-1-2-8-7(4,5)6;/h1-3H2,(H2,4,5,6);",CHBZJNGATWGSMX-UHFFFAOYSA-N,C2H8NNaO3PS,180.12,179.9860206,,109,101,0,3,5,3,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphorothioic acid, S-(((1-cyano-1-methyl-ethyl)carbamoyl)methyl) O,O-diethyl ester",3734-95-0,77322,N-(2-cyanopropan-2-yl)-2-diethoxyphosphorylsulfanylacetamide,CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N,"InChI=1S/C10H19N2O4PS/c1-5-15-17(14,16-6-2)18-7-9(13)12-10(3,4)8-11/h5-7H2,1-4H3,(H,12,13)",TWDJIKFUVRYBJF-UHFFFAOYSA-N,C10H19N2O4PS,294.31,294.0803153,0.4,114,367,0,1,6,8,18,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Propene, 3-bromo-1-chloro-",3737-00-6,6433386,(E)-3-bromo-1-chloroprop-1-ene,C(/C=C/Cl)Br,"InChI=1S/C3H4BrCl/c4-2-1-3-5/h1,3H,2H2/b3-1+",AHUWMUAVZFJTOC-HNQUOIGGSA-N,C3H4BrCl,155.42,153.91849,1.9,0,33,0,0,0,1,5,,,0,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"Hexanoic acid, 3-methyl-",3780-58-3,95315,3-methylhexanoic acid,CCCC(C)CC(=O)O,"InChI=1S/C7H14O2/c1-3-4-6(2)5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)",NZQMQVJXSRMTCJ-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,2.1,37.3,88,0,1,2,4,9,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Octan-1-ol, 5,5,6,6,7,7,8,8,8-nonafluoro-",2/7/92,2769661,"5,5,6,6,7,7,8,8,8-nonafluorooctan-1-ol",C(CCO)CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C8H9F9O/c9-5(10,3-1-2-4-18)6(11,12)7(13,14)8(15,16)17/h18H,1-4H2",FROXCSGRCWYTIE-UHFFFAOYSA-N,C8H9F9O,292.14,292.0509684,3.7,20.2,270,0,1,10,6,18,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"beta-Alanine, N,N-dimethyl-, methyl ester",6/3/53,199226,methyl 3-(dimethylamino)propanoate,CN(C)CCC(=O)OC,"InChI=1S/C6H13NO2/c1-7(2)5-4-6(8)9-3/h4-5H2,1-3H3",VSFJOMFYABROHQ-UHFFFAOYSA-N,C6H13NO2,131.17,131.0946287,0.1,29.5,91,0,0,3,4,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Propionic acid, 2,2'-azobis(2-methyl-, diethyl ester",3879-07-0,107185,ethyl 3-[(3-ethoxy-2-methyl-3-oxopropyl)diazenyl]-2-methylpropanoate,CCOC(=O)C(C)CN=NCC(C)C(=O)OCC,"InChI=1S/C12H22N2O4/c1-5-17-11(15)9(3)7-13-14-8-10(4)12(16)18-6-2/h9-10H,5-8H2,1-4H3",ARPWRKXQMJBVJD-UHFFFAOYSA-N,C12H22N2O4,258.31,258.1579572,1.8,77.3,264,0,0,6,10,18,,,0,1,0,1,0,0,0,0,1,0,0,0,1,0,0,1,0,0,0,0
"3,5-Heptadien-2-one",3916-64-1,643537,"(3E,5E)-hepta-3,5-dien-2-one",C/C=C/C=C/C(=O)C,"InChI=1S/C7H10O/c1-3-4-5-6-7(2)8/h3-6H,1-2H3/b4-3+,6-5+",SWGLACWOVFCDQS-VNKDHWASSA-N,C7H10O,110.15,110.0731649,1.4,17.1,120,0,0,1,2,8,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ether, allyl vinyl",3917-15-5,221523,3-ethenoxyprop-1-ene,C=CCOC=C,"InChI=1S/C5H8O/c1-3-5-6-4-2/h3-4H,1-2,5H2",ZXABMDQSAABDMG-UHFFFAOYSA-N,C5H8O,84.12,84.05751487,1.5,9.2,47,0,0,1,3,6,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, 2-aminooxy-, ethyl ester, hydrochloride",3919-73-1,12283957,ethyl 2-aminooxyacetate;hydrochloride,CCOC(=O)CON.Cl,"InChI=1S/C4H9NO3.ClH/c1-2-7-4(6)3-8-5;/h2-3,5H2,1H3;1H",IKCYQNSSQXAQHC-UHFFFAOYSA-N,C4H10ClNO3,155.58,155.0349209,,61.6,73,0,2,4,4,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propanol, 1,3-diethoxy-",4043-59-8,77664,"1,3-diethoxypropan-2-ol",CCOCC(COCC)O,"InChI=1S/C7H16O3/c1-3-9-5-7(8)6-10-4-2/h7-8H,3-6H2,1-2H3",WIHIUTUAHOZVLE-UHFFFAOYSA-N,C7H16O3,148.2,148.1099444,0,38.7,57,0,1,3,6,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"D-erythro-Hexosulose, 3-deoxy-",4084-27-9,114839,"(4S,5R)-4,5,6-trihydroxy-2-oxohexanal",C([C@@H]([C@@H](CO)O)O)C(=O)C=O,"InChI=1S/C6H10O5/c7-2-4(9)1-5(10)6(11)3-8/h2,5-6,8,10-11H,1,3H2/t5-,6+/m0/s1",ZGCHLOWZNKRZSN-NTSWFWBYSA-N,C6H10O5,162.14,162.0528234,-2.4,94.8,144,0,3,5,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propanethiol, 1-amino-, hydrochloride",4146-16-1,145727,1-aminopropane-2-thiol;hydrochloride,CC(CN)S.Cl,"InChI=1S/C3H9NS.ClH/c1-3(5)2-4;/h3,5H,2,4H2,1H3;1H",HCZBCEYVAPRCDV-UHFFFAOYSA-N,C3H10ClNS,127.64,127.0222482,,27,22,0,3,2,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Succinic acid, dihydrazide",4146-43-4,72491,butanedihydrazide,C(CC(=O)NN)C(=O)NN,"InChI=1S/C4H10N4O2/c5-7-3(9)1-2-4(10)8-6/h1-2,5-6H2,(H,7,9)(H,8,10)",HCOMFAYPHBFMKU-UHFFFAOYSA-N,C4H10N4O2,146.15,146.0803756,-2.8,110,119,0,4,4,3,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hexanamide, 2-ethyl-",4164-92-5,20125,2-ethylhexanamide,CCCCC(CC)C(=O)N,"InChI=1S/C8H17NO/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)",GMORVOQOIHISPT-UHFFFAOYSA-N,C8H17NO,143.23,143.1310142,2,43.1,101,0,1,1,5,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butanoic acid, 2-chloro-",4170-24-5,20137,2-chlorobutanoic acid,CCC(C(=O)O)Cl,"InChI=1S/C4H7ClO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)",RVBUZBPJAGZHSQ-UHFFFAOYSA-N,C4H7ClO2,122.55,122.0134572,1.3,37.3,72,0,1,2,2,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
1-Pentyn-3-ol,4187-86-4,92981,pent-1-yn-3-ol,CCC(C#C)O,"InChI=1S/C5H8O/c1-3-5(6)4-2/h1,5-6H,4H2,2H3",LBSKEFWQPNVWTP-UHFFFAOYSA-N,C5H8O,84.12,84.05751487,0.6,20.2,67,0,1,1,1,6,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Acrylic acid, 2-(bromomethyl)-, methyl ester",4224-69-5,521093,methyl 2-(bromomethyl)prop-2-enoate,COC(=O)C(=C)CBr,"InChI=1S/C5H7BrO2/c1-4(3-6)5(7)8-2/h1,3H2,2H3",CFTUQSLVERGMHL-UHFFFAOYSA-N,C5H7BrO2,179.01,177.96294,1.3,26.3,109,0,0,2,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propane, 1,1'-sulfinylbis-",4253-91-2,20252,1-propylsulfinylpropane,CCCS(=O)CCC,"InChI=1S/C6H14OS/c1-3-5-8(7)6-4-2/h3-6H2,1-2H3",BQCCJWMQESHLIT-UHFFFAOYSA-N,C6H14OS,134.24,134.0765362,1,36.3,62,0,0,2,4,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"1,2-Propanediol, (2S)-",4254-15-3,439846,"(2S)-propane-1,2-diol",C[C@@H](CO)O,"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1",DNIAPMSPPWPWGF-VKHMYHEASA-N,C3H8O2,76.09,76.05242949,-0.9,40.5,20,0,2,2,1,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonium, tetraethyl-, iodide",4317-06-0,199508,tetraethylphosphanium iodide,CC[P+](CC)(CC)CC.[I-],"InChI=1S/C8H20P.HI/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1",WKSYTZHMRBAPAO-UHFFFAOYSA-M,C8H20IP,274.12,274.03474,,0,47,0,0,1,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pseudourea, 2-methyl-2-thio-, hydriodide",4338-95-8,197812,methyl carbamimidothioate;hydroiodide,CSC(=N)N.I,"InChI=1S/C2H6N2S.HI/c1-5-2(3)4;/h1H3,(H3,3,4);1H",LFXAECSQJSRSTP-UHFFFAOYSA-N,C2H7IN2S,218.06,217.93747,,75.2,42,0,3,2,1,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butanenitrile, 3-hydroxy-",6/3/68,107273,3-hydroxybutanenitrile,CC(CC#N)O,"InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3",BYJAJQGCMSBKPB-UHFFFAOYSA-N,C4H7NO,85.1,85.05276385,-0.3,44,70,0,1,2,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propenoic acid, 2-(hydroxymethyl)-",4370-80-3,199534,2-(hydroxymethyl)prop-2-enoic acid,C=C(CO)C(=O)O,"InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h5H,1-2H2,(H,6,7)",AAMTXHVZOHPPQR-UHFFFAOYSA-N,C4H6O3,102.09,102.031694,-0.5,57.5,95,0,2,3,2,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hexanoic acid, 2-isopropyl-5-methyl-",4384-07-0,20404,5-methyl-2-propan-2-ylhexanoic acid,CC(C)CCC(C(C)C)C(=O)O,"InChI=1S/C10H20O2/c1-7(2)5-6-9(8(3)4)10(11)12/h7-9H,5-6H2,1-4H3,(H,11,12)",ZOINHQMIOAPOSQ-UHFFFAOYSA-N,C10H20O2,172.26,172.1463299,3.3,37.3,139,0,1,2,5,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Phosphinecarboxylic acid, dihydroxy-, oxide",4428-95-9,3415,phosphonoformic acid,C(=O)(O)P(=O)(O)O,"InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)",ZJAOAACCNHFJAH-UHFFFAOYSA-N,CH3O5P,126.01,125.9718102,-2,94.8,120,0,3,5,1,7,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0
"Butane, 1-isothiocyanato-4-(methylthio)-",4430-36-8,78160,1-isothiocyanato-4-methylsulfanylbutane,CSCCCCN=C=S,"InChI=1S/C6H11NS2/c1-9-5-3-2-4-7-6-8/h2-5H2,1H3",IHQDGXUYTSZGOG-UHFFFAOYSA-N,C6H11NS2,161.3,161.0332917,3,69.8,97,0,0,3,5,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Hexane, 1-isothiocyanato-6-(methylthio)-",4430-39-1,165224,1-isothiocyanato-6-methylsulfanylhexane,CSCCCCCCN=C=S,"InChI=1S/C8H15NS2/c1-11-7-5-3-2-4-6-9-8-10/h2-7H2,1H3",YIBXPFAXPUDDTK-UHFFFAOYSA-N,C8H15NS2,189.3,189.0645918,3.7,69.8,119,0,0,3,7,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"Butane, 1-isothiocyanato-4-(methylsulfinyl)-",4478-93-7,5350,1-isothiocyanato-4-methylsulfinylbutane,CS(=O)CCCCN=C=S,"InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3",SUVMJBTUFCVSAD-UHFFFAOYSA-N,C6H11NOS2,177.3,177.0282063,1.4,80.7,152,0,0,4,5,10,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydroxylamine, N,O-dicarbamoyl-",4543-62-8,145754,(carbamoylamino) carbamate,C(=O)(N)NOC(=O)N,"InChI=1S/C2H5N3O3/c3-1(6)5-8-2(4)7/h(H2,4,7)(H3,3,5,6)",XCGWUIXOGKKOEY-UHFFFAOYSA-N,C2H5N3O3,119.08,119.033091,-1.5,107,111,0,3,3,2,8,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
Dodecanedinitrile,4543-66-2,78301,dodecanedinitrile,C(CCCCCC#N)CCCCC#N,InChI=1S/C12H20N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-10H2,AVQYXBDAZWIFTO-UHFFFAOYSA-N,C12H20N2,192.3,192.1626486,2.8,47.6,179,0,0,2,9,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-Butanol, 4-(butylamino)-",4543-95-7,20669,4-(butylamino)butan-1-ol,CCCCNCCCCO,"InChI=1S/C8H19NO/c1-2-3-6-9-7-4-5-8-10/h9-10H,2-8H2,1H3",OPUJAKVDYGQVHP-UHFFFAOYSA-N,C8H19NO,145.24,145.1466642,1.6,32.3,57,0,2,2,7,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Allylamine, N-methyl-N-nitroso-",4549-43-3,20679,N-methyl-N-prop-2-enylnitrous amide,CN(CC=C)N=O,"InChI=1S/C4H8N2O/c1-3-4-6(2)5-7/h3H,1,4H2,2H3",OWSNZTOUPZXKPJ-UHFFFAOYSA-N,C4H8N2O,100.12,100.0636629,0.8,32.7,72,0,0,3,2,7,,,0,0,0,1,0,1,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, 2-hydrazino-, hydrochloride",4666-66-4,20791,2-hydrazinylacetamide;hydrochloride,C(C(=O)N)NN.Cl,"InChI=1S/C2H7N3O.ClH/c3-2(6)1-5-4;/h5H,1,4H2,(H2,3,6);1H",LTKOCJDJKZTTNX-UHFFFAOYSA-N,C2H8ClN3O,125.56,125.0355896,,81.1,52,0,4,3,2,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-Propanediol, 3-bromo-",4704-77-2,20827,"3-bromopropane-1,2-diol",C(C(CBr)O)O,"InChI=1S/C3H7BrO2/c4-1-3(6)2-5/h3,5-6H,1-2H2",SIBFQOUHOCRXDL-UHFFFAOYSA-N,C3H7BrO2,154.99,153.96294,-0.3,40.5,32,0,2,2,2,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Urea, chloroacetyl-",4791-21-3,78516,N-carbamoyl-2-chloroacetamide,C(C(=O)NC(=O)N)Cl,"InChI=1S/C3H5ClN2O2/c4-1-2(7)6-3(5)8/h1H2,(H3,5,6,7,8)",UIXTUDLFNOIGRA-UHFFFAOYSA-N,C3H5ClN2O2,136.54,136.0039551,-0.1,72.2,114,0,2,2,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Sulfonium, trimethyl-, chloride, S-oxide",5034-06-0,197819,,C[S+](=O)(C)C.[Cl-],"InChI=1S/C3H9OS.ClH/c1-5(2,3)4;/h1-3H3;1H/q+1;/p-1",KQYWHJICYXXDSQ-UHFFFAOYSA-M,C3H9ClOS,128.62,128.0062638,,18.1,53,0,0,2,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Stannane, ((2-ethylhexanoyl)oxy)tributyl",5035-67-6,16682812,tributylstannyl 2-ethylhexanoate,CCCCC(CC)C(=O)O[Sn](CCCC)(CCCC)CCCC,"InChI=1S/C8H16O2.3C4H9.Sn/c1-3-5-6-7(4-2)8(9)10;3*1-3-4-2;/h7H,3-6H2,1-2H3,(H,9,10);3*1,3-4H2,2H3;/q;;;;+1/p-1",NJBLMKDJCMZEJZ-UHFFFAOYSA-M,C20H42O2Sn,433.3,434.220683,,26.3,270,0,0,2,16,23,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"Ammonium, (3-cyano-2-hydroxypropyl)trimethyl-, chloride, (+-)-",5238-52-8,199896,(3-cyano-2-hydroxypropyl)-trimethylazanium chloride,C[N+](C)(C)CC(CC#N)O.[Cl-],"InChI=1S/C7H15N2O.ClH/c1-9(2,3)6-7(10)4-5-8;/h7,10H,4,6H2,1-3H3;1H/q+1;/p-1",ZOYKKWXSDFNANU-UHFFFAOYSA-M,C7H15ClN2O,178.66,178.0872908,,44,139,0,1,3,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butyraldehyde, 3-methoxy-",5281-76-5,98040,3-methoxybutanal,CC(CC=O)OC,"InChI=1S/C5H10O2/c1-5(7-2)3-4-6/h4-5H,3H2,1-2H3",VVXNMKJDQVBOLT-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,-0.1,26.3,52,0,0,2,3,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Choline, chloride, hydrogen succinate",5297-17-6,199935,2-(3-carboxypropanoyloxy)ethyl-trimethylazanium chloride,C[N+](C)(C)CCOC(=O)CCC(=O)O.[Cl-],"InChI=1S/C9H17NO4.ClH/c1-10(2,3)6-7-14-9(13)5-4-8(11)12;/h4-7H2,1-3H3;1H",LDHMZIUMVSRSIK-UHFFFAOYSA-N,C9H18ClNO4,239.69,239.0924357,,63.6,207,0,1,5,7,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Hexenoic acid, 2-ethyl-",5309-52-4,54127227,2-ethyloct-2-enoic acid,CCCCCC=C(CC)C(=O)O,"InChI=1S/C10H18O2/c1-3-5-6-7-8-9(4-2)10(11)12/h8H,3-7H2,1-2H3,(H,11,12)",NRVHYRRHQVWXBI-UHFFFAOYSA-N,C10H18O2,170.25,170.1306798,3.5,37.3,159,0,1,2,6,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-Pentanol, 1-amino-",5343-35-1,95299,1-aminopentan-2-ol,CCCC(CN)O,"InChI=1S/C5H13NO/c1-2-3-5(7)4-6/h5,7H,2-4,6H2,1H3",ZRUPXAZUXDFLTG-UHFFFAOYSA-N,C5H13NO,103.16,103.099714,-0.1,46.3,39,0,2,2,3,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Pentanamine, 4-methyl-",5344-20-7,219608,4-methylpentan-1-amine,CC(C)CCCN,"InChI=1S/C6H15N/c1-6(2)4-3-5-7/h6H,3-5,7H2,1-2H3",QVIAMKXOQGCYCV-UHFFFAOYSA-N,C6H15N,101.19,101.1204495,1.3,26,33,0,1,1,3,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Acetic acid, thiocyanato-, ethyl ester",5349-28-0,21446,ethyl 2-thiocyanatoacetate,CCOC(=O)CSC#N,"InChI=1S/C5H7NO2S/c1-2-8-5(7)3-9-4-6/h2-3H2,1H3",ZRJIGKLTDLURBD-UHFFFAOYSA-N,C5H7NO2S,145.18,145.0197496,1.2,75.4,137,0,0,4,4,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Glutaramide, 2,4-dicyano-3-methyl-",5447-66-5,95498,"2,4-dicyano-3-methylpentanediamide",CC(C(C#N)C(=O)N)C(C#N)C(=O)N,"InChI=1S/C8H10N4O2/c1-4(5(2-9)7(11)13)6(3-10)8(12)14/h4-6H,1H3,(H2,11,13)(H2,12,14)",XLQBCZSOEGHLAA-UHFFFAOYSA-N,C8H10N4O2,194.19,194.0803756,-1.3,134,311,0,2,4,4,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Butanone, 1-bromo-3,3-dimethyl-",5469-26-1,21642,"1-bromo-3,3-dimethylbutan-2-one",CC(C)(C)C(=O)CBr,"InChI=1S/C6H11BrO/c1-6(2,3)5(8)4-7/h4H2,1-3H3",SAIRZMWXVJEBMO-UHFFFAOYSA-N,C6H11BrO,179.05,177.99933,2.1,17.1,91,0,0,1,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isothiocyanic acid, hexamethylene ester",5586-70-9,21775,"1,6-diisothiocyanatohexane",C(CCCN=C=S)CCN=C=S,InChI=1S/C8H12N2S2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2,VZZPYUKWXDLMGI-UHFFFAOYSA-N,C8H12N2S2,200.3,200.0441907,4.4,88.9,169,0,0,4,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-Octynoic acid,5663-96-7,21872,oct-2-ynoic acid,CCCCCC#CC(=O)O,"InChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h2-5H2,1H3,(H,9,10)",BQDKCWCMDBMLEH-UHFFFAOYSA-N,C8H12O2,140.18,140.0837296,2.8,37.3,159,0,1,2,3,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-Propen-1-ol, 2-fluoro-",5675-31-0,79757,2-fluoroprop-2-en-1-ol,C=C(CO)F,"InChI=1S/C3H5FO/c1-3(4)2-5/h5H,1-2H2",XEIHLEMBJXRLEI-UHFFFAOYSA-N,C3H5FO,76.07,76.03244294,0.1,20.2,42,0,1,2,1,5,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1-ethyl-3-hydroxy-",11/2/10,79787,1-ethyl-3-hydroxyurea,CCNC(=O)NO,"InChI=1S/C3H8N2O2/c1-2-4-3(6)5-7/h7H,2H2,1H3,(H2,4,5,6)",PPWNKYXWTZJASD-UHFFFAOYSA-N,C3H8N2O2,104.11,104.0585775,-0.8,61.4,64,0,3,2,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetonitrile, (ethylenedinitrilo)tetra-",5766-67-6,21984,2-[2-[bis(cyanomethyl)amino]ethyl-(cyanomethyl)amino]acetonitrile,C(CN(CC#N)CC#N)N(CC#N)CC#N,InChI=1S/C10H12N6/c11-1-5-15(6-2-12)9-10-16(7-3-13)8-4-14/h5-10H2,FDWRKVKXYZRYOD-UHFFFAOYSA-N,C10H12N6,216.24,216.1123444,-0.6,102,314,0,0,6,7,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"D-Glucaric acid, calcium salt, hydrate (1:1:4)",5793-89-5,11954337,"calcium;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate;tetrahydrate",[C@H]([C@@H]([C@@H](C(=O)[O-])O)O)([C@H](C(=O)[O-])O)O.O.O.O.O.[Ca+2],"InChI=1S/C6H10O8.Ca.4H2O/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;;;;/h1-4,7-10H,(H,11,12)(H,13,14);;4*1H2/q;+2;;;;/p-2/t1-,2-,3-,4+;;;;;/m0...../s1",ZQWFSIZRQANUDA-WQMSYZFBSA-L,C6H16CaO12,320.26,320.0267668,,165,191,0,8,12,3,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethylamine, 2-(trimethylsiloxy)-",5804-92-2,22053,2-trimethylsilyloxyethanamine,C[Si](C)(C)OCCN,"InChI=1S/C5H15NOSi/c1-8(2,3)7-5-4-6/h4-6H2,1-3H3",LSSLIYHUUYSCLC-UHFFFAOYSA-N,C5H15NOSi,133.26,133.0922906,,35.3,59,0,1,2,3,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"3-Butenenitrile, 2-hydroxy-",5809-59-6,22060,2-hydroxybut-3-enenitrile,C=CC(C#N)O,"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2,4,6H,1H2",WKFMHXZXCCJSJK-UHFFFAOYSA-N,C4H5NO,83.09,83.03711378,0.2,44,89,0,1,2,1,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Arsonium, tetramethyl-, iodide",5814-20-0,22064,tetramethylarsanium iodide,C[As+](C)(C)C.[I-],"InChI=1S/C4H12As.HI/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1",KEFJVVFCFZNVQM-UHFFFAOYSA-M,C4H12AsI,261.96,261.91997,,0,19,0,0,1,0,6,,,1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,1
"Propionic acid, hydrazide",5818-15-5,79890,propanehydrazide,CCC(=O)NN,"InChI=1S/C3H8N2O/c1-2-3(6)5-4/h2,4H2,1H3,(H,5,6)",DXGIRFAFSFKYCF-UHFFFAOYSA-N,C3H8N2O,88.11,88.06366288,-0.7,55.1,52,0,2,2,1,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphorodithioic acid, S-((ethylsulfinyl)methyl) O,O-diisopropyl ester",5/4/27,22083,ethylsulfinylmethylsulfanyl-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane,CCS(=O)CSP(=S)(OC(C)C)OC(C)C,"InChI=1S/C9H21O3PS3/c1-6-16(10)7-15-13(14,11-8(2)3)12-9(4)5/h8-9H,6-7H2,1-5H3",KOTOUBGHZHWCCJ-UHFFFAOYSA-N,C9H21O3PS3,304.4,304.0390451,2.7,112,255,0,0,6,8,16,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Lactic acid, iron(2+) salt (2:1)",5905-52-2,22197,bis(2-hydroxypropanoate);iron(2+),CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Fe+2],"InChI=1S/2C3H6O3.Fe/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2",DKKCQDROTDCQOR-UHFFFAOYSA-L,C6H10FeO6,233.98,233.982674,,121,53,0,2,6,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Tris(tridecyl)amine,5910-77-0,80012,"N,N-di(tridecyl)tridecan-1-amine",CCCCCCCCCCCCCN(CCCCCCCCCCCCC)CCCCCCCCCCCCC,"InChI=1S/C39H81N/c1-4-7-10-13-16-19-22-25-28-31-34-37-40(38-35-32-29-26-23-20-17-14-11-8-5-2)39-36-33-30-27-24-21-18-15-12-9-6-3/h4-39H2,1-3H3",GDSGXRQXKTWBOS-UHFFFAOYSA-N,C39H81N,564.1,563.6369016,18.6,3.2,357,0,0,1,36,40,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Acetic acid, 2-aminooxy-, methyl ester, hydrochloride",7/8/40,20546030,methyl 2-aminooxyacetate;hydrochloride,COC(=O)CON.Cl,"InChI=1S/C3H7NO3.ClH/c1-6-3(5)2-7-4;/h2,4H2,1H3;1H",OWANFDCZMBVHJB-UHFFFAOYSA-N,C3H8ClNO3,141.55,141.0192708,,61.6,63,0,2,4,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propen-1-ol, 2-chloro-",5976-47-6,80076,2-chloroprop-2-en-1-ol,C=C(CO)Cl,"InChI=1S/C3H5ClO/c1-3(4)2-5/h5H,1-2H2",OSCXYTRISGREIM-UHFFFAOYSA-N,C3H5ClO,92.52,92.0028925,0.6,20.2,42,0,1,1,1,5,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Hexylamine, 1,5-dimethyl-, hydrochloride",5984-59-8,521901,6-methylheptan-2-amine;hydrochloride,CC(C)CCCC(C)N.Cl,"InChI=1S/C8H19N.ClH/c1-7(2)5-4-6-8(3)9;/h7-8H,4-6,9H2,1-3H3;1H",JWQWFYMPBWLERY-UHFFFAOYSA-N,C8H20ClN,165.7,165.1284273,,26,59,0,2,1,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Allylamine, N,N,2-trimethyl-",6000-82-4,22320,"N,N,2-trimethylprop-2-en-1-amine",CC(=C)CN(C)C,"InChI=1S/C6H13N/c1-6(2)5-7(3)4/h1,5H2,2-4H3",GKZOJSZSGYEWSA-UHFFFAOYSA-N,C6H13N,99.17,99.10479942,1.5,3.2,64,0,0,1,2,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"Propionic acid, 3-chloro-, methyl ester",6001-87-2,22321,methyl 3-chloropropanoate,COC(=O)CCCl,"InChI=1S/C4H7ClO2/c1-7-4(6)2-3-5/h2-3H2,1H3",GZGJIACHBCQSPC-UHFFFAOYSA-N,C4H7ClO2,122.55,122.0134572,0.6,26.3,62,0,0,2,3,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Valeric acid, sodium salt",6106-41-8,3669864,sodium pentanoate,CCCCC(=O)[O-].[Na+],"InChI=1S/C5H10O2.Na/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H,6,7);/q;+1/p-1",LHYPLJGBYPAQAK-UHFFFAOYSA-M,C5H9NaO2,124.11,124.0500238,,40.1,63,0,0,2,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propene, 3-chloro-2-fluoro-",6186-91-0,80320,3-chloro-2-fluoroprop-1-ene,C=C(CCl)F,InChI=1S/C3H4ClF/c1-3(5)2-4/h1-2H2,OOFDLUQVLPGWMM-UHFFFAOYSA-N,C3H4ClF,94.51,93.998556,1.4,0,42,0,0,1,1,5,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-Propanol, 1,1,1,3,3,3-hexachloro-",6188-63-2,80323,"1,1,1,3,3,3-hexachloropropan-2-ol",C(C(Cl)(Cl)Cl)(C(Cl)(Cl)Cl)O,"InChI=1S/C3H2Cl6O/c4-2(5,6)1(10)3(7,8)9/h1,10H",QHSCXYZVJCEABQ-UHFFFAOYSA-N,C3H2Cl6O,266.8,265.820731,3.4,20.2,97,0,1,1,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Butanol, 3-nitro-",6270-16-2,93025,3-nitrobutan-2-ol,CC(C(C)O)[N+](=O)[O-],"InChI=1S/C4H9NO3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3",OJVOGABFNZDOOZ-UHFFFAOYSA-N,C4H9NO3,119.12,119.0582431,0.2,66.1,87,0,1,3,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Formamide, N,N-di-n-propyl-",6282-00-4,22687,"N,N-dipropylformamide",CCCN(CCC)C=O,"InChI=1S/C7H15NO/c1-3-5-8(7-9)6-4-2/h7H,3-6H2,1-2H3",XFTIKWYXFSNCQF-UHFFFAOYSA-N,C7H15NO,129.2,129.1153641,1.5,20.3,67,0,0,1,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Succinic acid, cyano-, dimethyl ester",6283-71-2,94907,dimethyl 2-cyanobutanedioate,COC(=O)CC(C#N)C(=O)OC,"InChI=1S/C7H9NO4/c1-11-6(9)3-5(4-8)7(10)12-2/h5H,3H2,1-2H3",PJAMMJHRVPQDMS-UHFFFAOYSA-N,C7H9NO4,171.15,171.0531578,-0.1,76.4,227,0,0,5,5,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Glyoxal, tetrabutyl-, acetal",6284-81-7,22695,"1-(1,2,2-tributoxyethoxy)butane",CCCCOC(C(OCCCC)OCCCC)OCCCC,"InChI=1S/C18H38O4/c1-5-9-13-19-17(20-14-10-6-2)18(21-15-11-7-3)22-16-12-8-4/h17-18H,5-16H2,1-4H3",LNDOAJBBKMXYGW-UHFFFAOYSA-N,C18H38O4,318.5,318.2770097,5,36.9,169,0,0,4,17,22,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propionic acid, 3,3'-sulfonyldi-",6291-88-9,80512,3-(2-carboxyethylsulfonyl)propanoic acid,C(CS(=O)(=O)CCC(=O)O)C(=O)O,"InChI=1S/C6H10O6S/c7-5(8)1-3-13(11,12)4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)",FBFBNGJZFXSFFY-UHFFFAOYSA-N,C6H10O6S,210.21,210.0198092,-1.4,117,261,0,2,6,6,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Ether, bis(4-chlorobutyl)",6334-96-9,22800,1-chloro-4-(4-chlorobutoxy)butane,C(CCCl)COCCCCCl,InChI=1S/C8H16Cl2O/c9-5-1-3-7-11-8-4-2-6-10/h1-8H2,PVBMXMKIKMJQRK-UHFFFAOYSA-N,C8H16Cl2O,199.11,198.0578205,2.7,9.2,61,0,0,1,8,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hexylamine, 1-methyl-, sulfate (2:1)",6411-75-2,44134533,bis(heptan-2-amine);sulfuric acid,CCCCCC(C)N.CCCCCC(C)N.OS(=O)(=O)O,"InChI=1S/2C7H17N.H2O4S/c2*1-3-4-5-6-7(2)8;1-5(2,3)4/h2*7H,3-6,8H2,1-2H3;(H2,1,2,3,4)",XKUUMWKWUZRRPD-UHFFFAOYSA-N,C14H36N2O4S,328.51,328.2395788,,135,125,0,4,6,8,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphoric acid, 2,2-dichlorovinyl methyl ester, calcium salt compd. with 2,2-dichlorovinyl dimethyl phosphate (1:2)",6465-92-5,165495,"calcium;2,2-dichloroethenyl dimethyl phosphate;bis(2,2-dichloroethenyl methyl phosphate)",COP(=O)([O-])OC=C(Cl)Cl.COP(=O)([O-])OC=C(Cl)Cl.COP(=O)(OC)OC=C(Cl)Cl.[Ca+2],"InChI=1S/C4H7Cl2O4P.2C3H5Cl2O4P.Ca/c1-8-11(7,9-2)10-3-4(5)6;2*1-8-10(6,7)9-2-3(4)5;/h3H,1-2H3;2*2H,1H3,(H,6,7);/q;;;+2/p-2",FJKPGYUFYLHBPX-UHFFFAOYSA-L,C10H15CaCl6O12P3,672.9,671.750394,,162,348,0,0,12,10,32,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Arsenous triamide, hexamethyl-",6596-96-9,165514,N-[bis(dimethylamino)arsanyl]-N-methylmethanamine,CN(C)[As](N(C)C)N(C)C,InChI=1S/C6H18AsN3/c1-8(2)7(9(3)4)10(5)6/h1-6H3,QSLGKGJRFUIAEG-UHFFFAOYSA-N,C6H18AsN3,207.15,207.071667,,9.7,74,0,0,3,3,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Methanesulfonic acid, allyl ester",6728-21-8,81214,prop-2-enyl methanesulfonate,CS(=O)(=O)OCC=C,"InChI=1S/C4H8O3S/c1-3-4-7-8(2,5)6/h3H,1,4H2,2H3",SUDMKGNNRMLBMF-UHFFFAOYSA-N,C4H8O3S,136.17,136.0194153,0.3,51.8,151,0,0,3,3,8,,,0,0,0,1,0,1,0,1,0,0,1,0,0,1,0,0,1,1,0,0
"Carbamic acid, methyldithio-, sodium salt, dihydrate",6734-80-1,23698421,sodium;N-methylcarbamodithioate;dihydrate,CNC(=S)[S-].O.O.[Na+],"InChI=1S/C2H5NS2.Na.2H2O/c1-3-2(4)5;;;/h1H3,(H2,3,4,5);;2*1H2/q;+1;;/p-1",MJYJDHVIAMJIIW-UHFFFAOYSA-M,C2H8NNaO2S2,165.22,164.9894151,,47.1,46,0,3,4,0,8,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"Ether, sec-butyl methyl",6795-87-5,23238,2-methoxybutane,CCC(C)OC,"InChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3",FVNIMHIOIXPIQT-UHFFFAOYSA-N,C5H12O,88.15,88.088815,1.4,9.2,27,0,0,1,2,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Thiocyanic acid, hexyl ester",6803-40-3,81257,hexyl thiocyanate,CCCCCCSC#N,"InChI=1S/C7H13NS/c1-2-3-4-5-6-9-7-8/h2-6H2,1H3",BESHFZBHEPQOSU-UHFFFAOYSA-N,C7H13NS,143.25,143.0768706,3.3,49.1,92,0,0,2,5,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
sec-Butyl ether,6863-58-7,23294,2-butan-2-yloxybutane,CCC(C)OC(C)CC,"InChI=1S/C8H18O/c1-5-7(3)9-8(4)6-2/h7-8H,5-6H2,1-4H3",HHBZZTKMMLDNDN-UHFFFAOYSA-N,C8H18O,130.23,130.1357652,2.7,9.2,53,0,0,1,4,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"3,4-Hexanediol, 3,4-diethyl-",6931-71-1,23358,"3,4-diethylhexane-3,4-diol",CCC(CC)(C(CC)(CC)O)O,"InChI=1S/C10H22O2/c1-5-9(11,6-2)10(12,7-3)8-4/h11-12H,5-8H2,1-4H3",HDXDBVSPBNTNNA-UHFFFAOYSA-N,C10H22O2,174.28,174.1619799,2.2,40.5,108,0,2,2,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butyric acid, 4-amino-, ethyl ester, hydrochloride",6937-16-2,12649661,ethyl 4-aminobutanoate;hydrochloride,CCOC(=O)CCCN.Cl,"InChI=1S/C6H13NO2.ClH/c1-2-9-6(8)4-3-5-7;/h2-5,7H2,1H3;1H",CXVQSUBJMYZELD-UHFFFAOYSA-N,C6H14ClNO2,167.63,167.0713064,,52.3,83,0,2,3,5,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Allylamine, 2-bromo-",6943-51-7,23374,2-bromoprop-2-en-1-amine,C=C(CN)Br,"InChI=1S/C3H6BrN/c1-3(4)2-5/h1-2,5H2",XFSISDMYBCYBKG-UHFFFAOYSA-N,C3H6BrN,135.99,134.96836,0.4,26,42,0,1,1,1,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"Pseudourea, 2,2-ethylenedithiodi-, dihydrobromide",6943-65-3,81370,2-carbamimidoylsulfanylethyl carbamimidothioate;dihydrobromide,C(CSC(=N)N)SC(=N)N.Br.Br,"InChI=1S/C4H10N4S2.2BrH/c5-3(6)9-1-2-10-4(7)8;;/h1-2H2,(H3,5,6)(H3,7,8);2*1H",VABTXEYLYWGJRB-UHFFFAOYSA-N,C4H12Br2N4S2,340.1,339.88496,,150,119,0,6,4,5,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propanone, chloropentafluoro-, hydrate",6984-99-2,23616285,"1-chloro-1,1,3,3,3-pentafluoropropan-2-one;hydrate",C(=O)(C(F)(F)F)C(F)(F)Cl.O,"InChI=1S/C3ClF5O.H2O/c4-2(5,6)1(10)3(7,8)9;/h;1H2",CMMNKPFHVMVGQH-UHFFFAOYSA-N,C3H2ClF5O2,200.49,199.9663478,,18.1,149,0,1,7,1,11,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Zinc, bis(O,O-dibutyl phosphorodithioato-S,S')-, (T-4)-",6990-43-8,81470,zinc bis(dibutoxy-sulfanylidene-sulfido-lambda5-phosphane),CCCCOP(=S)(OCCCC)[S-].CCCCOP(=S)(OCCCC)[S-].[Zn+2],"InChI=1S/2C8H19O2PS2.Zn/c2*1-3-5-7-9-11(12,13)10-8-6-4-2;/h2*3-8H2,1-2H3,(H,12,13);/q;;+2/p-2",MECFLMNXIXDIOF-UHFFFAOYSA-L,C16H36O4P2S4Zn,548.1,546.02631,,103,142,0,0,8,16,27,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
Asparagine,7006-34-0,236,"2,4-diamino-4-oxobutanoic acid",C(C(C(=O)O)N)C(=O)N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)",DCXYFEDJOCDNAF-UHFFFAOYSA-N,C4H8N2O3,132.12,132.0534921,-3.4,106,134,0,3,4,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butylamine, N-methyl-N-nitroso-",7068-83-9,23471,N-butyl-N-methylnitrous amide,CCCCN(C)N=O,"InChI=1S/C5H12N2O/c1-3-4-5-7(2)6-8/h3-5H2,1-2H3",PKTSCJXWLVREKX-UHFFFAOYSA-N,C5H12N2O,116.16,116.094963,1.4,32.7,65,0,0,3,3,8,32.6 °C,193.6 °C,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphoric acid, 2,2-dichlorovinyl 2-(ethylsulfinyl)ethyl methyl ester",7076-53-1,81525,"2,2-dichloroethenyl 2-ethylsulfinylethyl methyl phosphate",CCS(=O)CCOP(=O)(OC)OC=C(Cl)Cl,"InChI=1S/C7H13Cl2O5PS/c1-3-16(11)5-4-13-15(10,12-2)14-6-7(8)9/h6H,3-5H2,1-2H3",AACILMLPSLEQMF-UHFFFAOYSA-N,C7H13Cl2O5PS,311.12,309.9598371,0.8,81,305,0,0,6,8,16,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Fumaric acid, diisopropyl ester",7283-70-7,5357078,dipropan-2-yl (E)-but-2-enedioate,CC(C)OC(=O)/C=C/C(=O)OC(C)C,"InChI=1S/C10H16O4/c1-7(2)13-9(11)5-6-10(12)14-8(3)4/h5-8H,1-4H3/b6-5+",FNMTVMWFISHPEV-AATRIKPKSA-N,C10H16O4,200.23,200.104859,1.8,52.6,204,0,0,4,6,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,4-Hexadiene, (Z)-",7318-67-4,5365553,"(4Z)-hexa-1,4-diene",C/C=C\CC=C,"InChI=1S/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3/b6-4-",PRBHEGAFLDMLAL-XQRVVYSFSA-N,C6H10,82.14,82.07825032,2.4,0,51,0,0,0,2,6,,,0,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Acetonitrile, 2,2',2''-nitrilotris-",7327-60-8,81762,2-[bis(cyanomethyl)amino]acetonitrile,C(C#N)N(CC#N)CC#N,InChI=1S/C6H6N4/c7-1-4-10(5-2-8)6-3-9/h4-6H2,LJAIDEYQVIJERM-UHFFFAOYSA-N,C6H6N4,134.14,134.0592462,-0.4,74.6,185,0,0,4,3,10,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"Phosphoric acid, tris(2-bromo-1-chloro-2-propyl) ester",7328-28-1,110966,tris(1-bromo-3-chloropropan-2-yl) phosphate,C(C(CBr)OP(=O)(OC(CCl)CBr)OC(CCl)CBr)Cl,"InChI=1S/C9H15Br3Cl3O4P/c10-1-7(4-13)17-20(16,18-8(2-11)5-14)19-9(3-12)6-15/h7-9H,1-6H2",PJNLXXROLSYGPE-UHFFFAOYSA-N,C9H15Br3Cl3O4P,564.3,561.73032,3.8,44.8,261,0,0,4,12,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Guanidine, hexanedi-, dihydrochloride",7356-81-2,176523925,1-[6-(diaminomethylideneamino)hexyl]guanidine;dihydrochloride,C(CCCN=C(N)N)CCNC(=N)N.Cl.Cl,"InChI=1S/C8H20N6.2ClH/c9-7(10)13-5-3-1-2-4-6-14-8(11)12;;/h1-6H2,(H4,9,10,13)(H4,11,12,14);2*1H",NXWPVVJWQXXMDR-UHFFFAOYSA-N,C8H22Cl2N6,273.2,272.1283001,,126,184,0,7,2,8,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propionic acid, 3,3'-diselenodi-",7370-58-3,23837,3-(2-carboxyethyldiselanyl)propanoic acid,C(C[Se][Se]CCC(=O)O)C(=O)O,"InChI=1S/C6H10O4Se2/c7-5(8)1-3-11-12-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)",AXJLEYVRLPNPGF-UHFFFAOYSA-N,C6H10O4Se2,304.08,305.89095,,74.6,142,0,2,4,7,12,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Glycine, N,N'-1,2-ethanediylbis(N-(carboxymethyl)-, ammonium salt",7379-26-2,62634,azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid,C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.N.N.N.N,"InChI=1S/C10H16N2O8.4H3N/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);4*1H3",LESFYQKBUCDEQP-UHFFFAOYSA-N,C10H28N6O8,360.37,360.1968619,,160,315,0,8,14,11,24,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"2-Propenoic acid, 2,2,3,3-tetrafluoropropyl ester",7383-71-3,81865,"2,2,3,3-tetrafluoropropyl prop-2-enoate",C=CC(=O)OCC(C(F)F)(F)F,"InChI=1S/C6H6F4O2/c1-2-4(11)12-3-6(9,10)5(7)8/h2,5H,1,3H2",VHJHZYSXJKREEE-UHFFFAOYSA-N,C6H6F4O2,186.1,186.0303921,2.2,26.3,178,0,0,6,5,12,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"5-Decene, (E)-",7433-56-9,637820,(E)-dec-5-ene,CCCC/C=C/CCCC,"InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h9-10H,3-8H2,1-2H3/b10-9+",UURSXESKOOOTOV-MDZDMXLPSA-N,C10H20,140.27,140.1565006,4.7,0,62,0,0,0,6,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Stannane, dichlorodiethenyl-",7532-85-6,82033,dichloro-bis(ethenyl)stannane,C=C[Sn](C=C)(Cl)Cl,"InChI=1S/2C2H3.2ClH.Sn/c2*1-2;;;/h2*1H,2H2;2*1H;/q;;;;+2/p-2",LWHKXKZPLXYXRO-UHFFFAOYSA-L,C4H6Cl2Sn,243.7,243.886858,,0,77,0,0,0,2,7,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acrylonitrile, 2-(chloromethyl)-",7659-44-1,24308,2-(chloromethyl)prop-2-enenitrile,C=C(CCl)C#N,InChI=1S/C4H4ClN/c1-4(2-5)3-6/h1-2H2,QIBPJPNDSZRXRO-UHFFFAOYSA-N,C4H4ClN,101.53,101.0032268,1,23.8,97,0,0,1,1,6,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"Hydrazine, 1,2-diethyl-, dihydrochloride",7699-31-2,24372,"1,2-diethylhydrazine;dihydrochloride",CCNNCC.Cl.Cl,"InChI=1S/C4H12N2.2ClH/c1-3-5-6-4-2;;/h5-6H,3-4H2,1-2H3;2*1H",NMTDWUVFGOBBAX-UHFFFAOYSA-N,C4H14Cl2N2,161.07,160.0534038,,24.1,17,0,4,2,3,8,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Heptanoic acid, 3-oxo-, ethyl ester",7737-62-4,559036,ethyl 3-oxoheptanoate,CCCCC(=O)CC(=O)OCC,"InChI=1S/C9H16O3/c1-3-5-6-8(10)7-9(11)12-4-2/h3-7H2,1-2H3",UKRVECBFDMVBPU-UHFFFAOYSA-N,C9H16O3,172.22,172.1099444,1.6,43.4,152,0,0,3,7,12,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Propane, 1,2-dimethoxy-",7778-85-0,24509,"1,2-dimethoxypropane",CC(COC)OC,"InChI=1S/C5H12O2/c1-5(7-3)4-6-2/h5H,4H2,1-3H3",LEEANUDEDHYDTG-UHFFFAOYSA-N,C5H12O2,104.15,104.0837296,-0.1,18.5,37,0,0,2,3,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
Hydrogen telluride,9/7/83,21765,tellane,[TeH2],InChI=1S/H2Te/h1H2,VTLHPSMQDDEFRU-UHFFFAOYSA-N,H2Te,129.6,131.9218728,,0,0,0,0,0,0,1,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Arsenious acid, trisilver(1+) salt",8/9/84,44144454,arsorous acid;silver,O[As](O)O.[Ag].[Ag].[Ag],InChI=1S/3Ag.AsH3O3/c;;;2-1(3)4/h;;;2-4H,FQUOIMHWJGIXSS-UHFFFAOYSA-N,Ag3AsH3O3,449.548,448.64475,,60.7,8,0,3,3,0,7,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Sulfuric acid, bismuth(3+) salt (3:2)",7787-68-0,198144,dibismuth;trisulfate,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Bi+3].[Bi+3],"InChI=1S/2Bi.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",BEQZMQXCOWIHRY-UHFFFAOYSA-H,Bi2O12S3,706.2,705.81599,,266,62,0,0,12,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Tartrononitrile, methyl-, acetate (ester)",1/4/90,24626,"1,1-dicyanoethyl acetate",CC(=O)OC(C)(C#N)C#N,"InChI=1S/C6H6N2O2/c1-5(9)10-6(2,3-7)4-8/h1-2H3",OSNAAKXQIFQLNS-UHFFFAOYSA-N,C6H6N2O2,138.12,138.0429274,0.1,73.9,223,0,0,4,2,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Galbanum gum,9000-24-2,131750174,"(6Z,8E)-undeca-6,8,10-trien-2-one;(6E,8E)-undeca-6,8,10-trien-2-one;(6Z,8E)-undeca-6,8,10-trien-3-one;(6E,8E)-undeca-6,8,10-trien-3-one;(6Z,8E)-undeca-6,8,10-trien-4-one;(6E,8E)-undeca-6,8,10-trien-4-one",CCCC(=O)C/C=C/C=C/C=C.CCCC(=O)C/C=C\C=C\C=C.CCC(=O)CC/C=C/C=C/C=C.CCC(=O)CC/C=C\C=C\C=C.CC(=O)CCC/C=C/C=C/C=C.CC(=O)CCC/C=C\C=C\C=C,"InChI=1S/6C11H16O/c2*1-3-4-5-6-7-8-9-10-11(2)12;2*1-3-5-6-7-8-9-10-11(12)4-2;2*1-3-5-6-7-8-10-11(12)9-4-2/h2*3-7H,1,8-10H2,2H3;4*3,5-8H,1,4,9-10H2,2H3/b5-4+,7-6+;5-4+,7-6-;6-5+,8-7+;6-5+,8-7-;6-5+,8-7+;6-5+,8-7-",WEFHSZAZNMEWKJ-KEDVMYETSA-N,C66H96O6,985.5,984.7206908,,102,562,0,0,6,36,72,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0
"Allylamine, hydrochloride",10017-11-5,82291,prop-2-en-1-amine;hydrochloride,C=CCN.Cl,"InChI=1S/C3H7N.ClH/c1-2-3-4;/h2H,1,3-4H2;1H",MLGWTHRHHANFCC-UHFFFAOYSA-N,C3H8ClN,93.55,93.034527,,26,17,0,2,1,1,5,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Sulfuric acid, ammonium chromium(3+) salt (2:1:1), dodecahydrate",10022-47-6,73425430,azanium;chromium(3+);hydrogen sulfate;dodecahydrate,[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.OS(=O)(=O)[O-].OS(=O)(=O)[O-].[Cr+3],"InChI=1S/Cr.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-1",XIVUXDNQPIGCAP-UHFFFAOYSA-M,CrH30NO20S2+2,480.4,480.020764,,185,76,2,15,20,0,24,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butyric acid, 3-methoxy-",10024-70-1,24803,3-methoxybutanoic acid,CC(CC(=O)O)OC,"InChI=1S/C5H10O3/c1-4(8-2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)",MXJDPWXQIVDAPH-UHFFFAOYSA-N,C5H10O3,118.13,118.0629942,0,46.5,79,0,1,3,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Iron(III) arsenate (1:1),10102-49-5,61477,iron(3+) arsorate,[O-][As](=O)([O-])[O-].[Fe+3],"InChI=1S/AsH3O4.Fe/c2-1(3,4)5;/h(H3,2,3,4,5);/q;+3/p-3",BMWMWYBEJWFCJI-UHFFFAOYSA-K,AsFeO4,194.76,194.836189,,86.3,36,0,0,4,0,6,,,1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanephosphonic acid, 2-cyano-, diethyl ester",10123-62-3,82369,3-diethoxyphosphorylpropanenitrile,CCOP(=O)(CCC#N)OCC,"InChI=1S/C7H14NO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h3-5,7H2,1-2H3",LDOZIDLMPNCNDI-UHFFFAOYSA-N,C7H14NO3P,191.16,191.0711303,-0.1,59.3,198,0,0,4,6,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Nonen-2-one, 5-ethyl-",10137-90-3,6433525,(E)-5-ethylnon-3-en-2-one,CCCCC(CC)/C=C/C(=O)C,"InChI=1S/C11H20O/c1-4-6-7-11(5-2)9-8-10(3)12/h8-9,11H,4-7H2,1-3H3/b9-8+",SWBGUNASIKSCCO-CMDGGOBGSA-N,C11H20O,168.28,168.1514153,3.7,17.1,147,0,0,1,6,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Vanadium, dichlorooxo-",10213-09-9,66292,oxovanadium;dihydrochloride,O=[V].Cl.Cl,InChI=1S/2ClH.O.V/h2*1H;;,QLOKAVKWGPPUCM-UHFFFAOYSA-N,Cl2H2OV,139.86,138.892228,,17.1,6,0,2,1,0,4,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Copper sulfate, monohydrate",10257-54-2,61499,copper;sulfate;hydrate,O.[O-]S(=O)(=O)[O-].[Cu+2],"InChI=1S/Cu.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+2;;/p-2",CYKLGTUKGYURDP-UHFFFAOYSA-L,CuH2O5S,177.63,176.891891,,89.6,62,0,1,5,0,7,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,2-Propanediol, 3-hexyloxy-",10305-38-1,11229094,"3-hexoxypropane-1,2-diol",CCCCCCOCC(CO)O,"InChI=1S/C9H20O3/c1-2-3-4-5-6-12-8-9(11)7-10/h9-11H,2-8H2,1H3",MQVMITUCTLYRNV-UHFFFAOYSA-N,C9H20O3,176.25,176.1412445,1.1,49.7,85,0,2,3,8,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Perboric acid, sodium salt, monohydrate",10332-33-9,23695970,sodium;oxidooxy(oxo)borane;hydrate,B(=O)O[O-].O.[Na+],InChI=1S/BHO3.Na.H2O/c2-1-4-3;;/h3H;;1H2/q;+1;/p-1,MDGXUEVTGARGDK-UHFFFAOYSA-M,BH2NaO4,99.82,99.994383,,50.4,20,0,1,4,0,6,,,0,0,1,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,1
"2-Heptenoic acid, (2E)-",10352-88-2,5282709,(E)-hept-2-enoic acid,CCCC/C=C/C(=O)O,"InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/b6-5+",YURNCBVQZBJDAJ-AATRIKPKSA-N,C7H12O2,128.17,128.0837296,2.1,37.3,105,0,1,2,4,9,,224.00 to 228.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"Glucitol, 1-deoxy-1-(methylnitrosamino)-, D-",10356-92-0,82578,"N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nitrous amide",CN(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)N=O,"InChI=1S/C7H16N2O6/c1-9(8-15)2-4(11)6(13)7(14)5(12)3-10/h4-7,10-14H,2-3H2,1H3/t4-,5+,6+,7+/m0/s1",VLGVGLCWLGEFMR-BDVNFPICSA-N,C7H16N2O6,224.21,224.1008362,-3,134,192,0,5,8,6,15,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphonic acid, (2-chloroethyl)-, diethyl ester",10419-79-1,25250,1-chloro-2-diethoxyphosphorylethane,CCOP(=O)(CCCl)OCC,"InChI=1S/C6H14ClO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-6H2,1-2H3",GMDLEOVIACJWTD-UHFFFAOYSA-N,C6H14ClO3P,200.6,200.036909,0.8,35.5,130,0,0,3,6,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ammonium, ethylenebis(trimethyl-, diiodide",10428-58-7,25257,trimethyl-[2-(trimethylazaniumyl)ethyl]azanium diiodide,C[N+](C)(C)CC[N+](C)(C)C.[I-].[I-],"InChI=1S/C8H22N2.2HI/c1-9(2,3)7-8-10(4,5)6;;/h7-8H2,1-6H3;2*1H/q+2;;/p-2",QTULVYHYEGMYLW-UHFFFAOYSA-L,C8H22I2N2,400.08,399.98724,,0,80,0,0,2,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propane, 3-chloro-1,2-dibromo-2-methyl-",10474-14-3,91564,"1,2-dibromo-3-chloro-2-methylpropane",CC(CCl)(CBr)Br,"InChI=1S/C4H7Br2Cl/c1-4(6,2-5)3-7/h2-3H2,1H3",DPDUMUDRFCRZGY-UHFFFAOYSA-N,C4H7Br2Cl,250.36,249.85825,2.6,0,57,0,0,0,2,7,,,0,1,1,1,0,1,0,1,0,0,1,0,0,1,0,0,1,0,0,1
Strontium bromide,10476-81-0,25302,strontium dibromide,[Br-].[Br-].[Sr+2],InChI=1S/2BrH.Sr/h2*1H;/q;;+2/p-2,YJPVTCSBVRMESK-UHFFFAOYSA-L,Br2Sr,247.43,247.74024,,0,2,0,0,2,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Heptanone, 2,6-bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-",10487-11-3,25312,"1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-one",C(C(=O)CC(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O,"InChI=1S/C9H6F12O3/c10-6(11,12)4(23,7(13,14)15)1-3(22)2-5(24,8(16,17)18)9(19,20)21/h23-24H,1-2H2",UTINOFCCXUSLQP-UHFFFAOYSA-N,C9H6F12O3,390.12,390.012532,2.7,57.5,398,0,2,15,4,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethene, trifluoro(pentafluoroethoxy)-",10493-43-3,82672,"1,1,1,2,2-pentafluoro-2-(1,2,2-trifluoroethenoxy)ethane",C(=C(F)F)(OC(C(F)(F)F)(F)F)F,"InChI=1S/C4F8O/c5-1(6)2(7)13-4(11,12)3(8,9)10",GWTYBAOENKSFAY-UHFFFAOYSA-N,C4F8O,216.03,215.9821399,3.1,9.2,211,0,0,9,2,13,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-Ethanediamine, N(sup 1)-(1,3-dimethylbutylidene)-N(sup 2)-(2-((1,3-dimethylbutylidene)amino)ethyl)-",10595-60-5,114584,2-(4-methylpentan-2-ylideneamino)-N-[2-(4-methylpentan-2-ylideneamino)ethyl]ethanamine,CC(C)CC(=NCCNCCN=C(C)CC(C)C)C,"InChI=1S/C16H33N3/c1-13(2)11-15(5)18-9-7-17-8-10-19-16(6)12-14(3)4/h13-14,17H,7-12H2,1-6H3",CJAGRJAFLCPABV-UHFFFAOYSA-N,C16H33N3,267.45,267.2674481,2,36.8,250,0,1,3,10,19,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"Ammonium, trimethylvinyl-, bromide",10603-92-6,25426,ethenyl(trimethyl)azanium bromide,C[N+](C)(C)C=C.[Br-],"InChI=1S/C5H12N.BrH/c1-5-6(2,3)4;/h5H,1H2,2-4H3;1H/q+1;/p-1",IDVSELVVGYIOEX-UHFFFAOYSA-M,C5H12BrN,166.06,165.01531,,0,49,0,0,1,1,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propionic acid, 3-methoxy-, ethyl ester",10606-42-5,82767,ethyl 3-methoxypropanoate,CCOC(=O)CCOC,"InChI=1S/C6H12O3/c1-3-9-6(7)4-5-8-2/h3-5H2,1-2H3",IJUHLFUALMUWOM-UHFFFAOYSA-N,C6H12O3,132.16,132.0786442,0.3,35.5,80,0,0,3,5,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Tetradecenesulfonic acid, sodium salt (1:1)",11066-21-0,23675778,sodium tetradecane-3-sulfonate,CCCCCCCCCCCC(CC)S(=O)(=O)[O-].[Na+],"InChI=1S/C14H30O3S.Na/c1-3-5-6-7-8-9-10-11-12-13-14(4-2)18(15,16)17;/h14H,3-13H2,1-2H3,(H,15,16,17);/q;+1/p-1",WXEQTCQVRXAXBC-UHFFFAOYSA-M,C14H29NaO3S,300.44,300.1735102,,65.6,273,0,0,3,12,19,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"2,4,8,10,14,18,20-Docosaheptaenedioic acid, 20-(carboxymethyl)-6-methoxy-2,5,17-trimethyl-,(R-(R*,S*(E,Z,Z,E,E,Z,E)))-",11076-19-0,6433556,"(2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-(carboxymethyl)-6-methoxy-2,5,17-trimethyldocosa-2,4,8,10,14,18,20-heptaenedioic acid",C[C@@H](C/C=C/CC/C=C/C=C\C[C@H](/C(=C\C=C(/C)\C(=O)O)/C)OC)/C=C/C(=C\C(=O)O)/CC(=O)O,"InChI=1S/C28H38O7/c1-21(15-18-24(19-26(29)30)20-27(31)32)13-11-9-7-5-6-8-10-12-14-25(35-4)22(2)16-17-23(3)28(33)34/h6,8-12,15-19,21,25H,5,7,13-14,20H2,1-4H3,(H,29,30)(H,31,32)(H,33,34)/b8-6+,11-9+,12-10-,18-15+,22-16-,23-17+,24-19+/t21-,25+/m0/s1",SHCXABJSXUACKU-WUTQZGRKSA-N,C28H38O7,486.6,486.2617536,5.7,121,898,0,3,7,17,35,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Titanium hydroxide oxide (Ti(OH)2O),12026-28-7,18522868,oxygen(2-);titanium(4+);dihydroxide,[OH-].[OH-].[O-2].[Ti+4],InChI=1S/2H2O.O.Ti/h2*1H2;;/q;;-2;+4/p-2,ULQKBAFUVJFPPF-UHFFFAOYSA-L,H2O3Ti,97.881,97.9483346,,3,0,0,2,3,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
Copper(II) carbonate hydroxide (2:1:2),12069-69-1,156614043,,C(=O)([O-])[O-].[OH-].[OH-].[Cu].[Cu],"InChI=1S/CH2O3.2Cu.2H2O/c2-1(3)4;;;;/h(H2,2,3,4);;;2*1H2/p-4",CKOFTLIGGWQUIB-UHFFFAOYSA-J,CH2Cu2O5-4,221.12,219.849417,,65.2,18,-4,2,5,0,8,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Zinc, (N,N'-propylene-1,2-bis(dithiocarbamate))",12071-83-9,6100711,zinc N-[1-(sulfidocarbothioylamino)propan-2-yl]carbamodithioate,CC(CNC(=S)[S-])NC(=S)[S-].[Zn+2],"InChI=1S/C5H10N2S4.Zn/c1-3(7-5(10)11)2-6-4(8)9;/h3H,2H2,1H3,(H2,6,8,9)(H2,7,10,11);/q;+2/p-2",KKMLIVYBGSAJPM-UHFFFAOYSA-L,C5H8N2S4Zn,289.8,287.886175,,90.2,148,0,2,4,3,12,,,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0
"Carbonic acid, dithio-, O-isobutyl ester, potassium salt",13001-46-2,23675782,potassium 2-methylpropoxymethanedithioate,CC(C)COC(=S)[S-].[K+],"InChI=1S/C5H10OS2.K/c1-4(2)3-6-5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1/p-1",CRAXZMAICBMTCW-UHFFFAOYSA-M,C5H9KOS2,188.4,187.9731887,,42.3,85,0,0,3,3,9,,,0,0,0,1,0,0,1,1,0,1,0,0,0,1,0,0,1,1,1,0
"Guanidine, 3-nitro-1-nitroso-1-propyl-",13010-07-6,135448158,3-nitro-1-nitroso-1-propylguanidine,CCCN(C(=N)N[N+](=O)[O-])N=O,"InChI=1S/C4H9N5O3/c1-2-3-8(7-10)4(5)6-9(11)12/h2-3H2,1H3,(H2,5,6)",PVVCHFOAZOVDRK-UHFFFAOYSA-N,C4H9N5O3,175.15,175.0705392,1,114,188,0,2,5,4,12,,,0,1,1,1,0,1,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"Guanidine, 1-butyl-3-nitro-1-nitroso-",13010-08-7,135464373,1-butyl-3-nitro-1-nitrosoguanidine,CCCCN(C(=N)N[N+](=O)[O-])N=O,"InChI=1S/C5H11N5O3/c1-2-3-4-9(8-11)5(6)7-10(12)13/h2-4H2,1H3,(H2,6,7)",FJNCPBNCTRDXFB-UHFFFAOYSA-N,C5H11N5O3,189.17,189.0861892,1.3,114,201,0,2,5,5,13,,,0,0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"Urea, N-nitroso-",13010-20-3,105035,nitrosourea,C(=O)(N)NN=O,"InChI=1S/CH3N3O2/c2-1(5)3-4-6/h(H3,2,3,5,6)",OSTGTTZJOCZWJG-UHFFFAOYSA-N,CH3N3O2,89.05,89.02252635,-0.8,84.6,69,0,2,3,0,6,,,0,0,0,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0
"Butyric acid, 4-nitro-, methyl ester",13013-02-0,25604,methyl 4-nitrobutanoate,COC(=O)CCC[N+](=O)[O-],"InChI=1S/C5H9NO4/c1-10-5(7)3-2-4-6(8)9/h2-4H2,1H3",UBSPKGKFFQKZJB-UHFFFAOYSA-N,C5H9NO4,147.13,147.0531578,0.6,72.1,128,0,0,4,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbonic acid, bis(2-isocyanatoethyl) ester",13025-29-1,25619,bis(2-isocyanatoethyl) carbonate,C(COC(=O)OCCN=C=O)N=C=O,InChI=1S/C7H8N2O5/c10-5-8-1-3-13-7(12)14-4-2-9-6-11/h1-4H2,DZYFUUQMKQBVBY-UHFFFAOYSA-N,C7H8N2O5,200.15,200.0433214,2.1,94.4,239,0,0,7,8,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pentanone, 3-chloro-5-hydroxy-, acetate",13051-49-5,114447,(3-chloro-4-oxopentyl) acetate,CC(=O)C(CCOC(=O)C)Cl,"InChI=1S/C7H11ClO3/c1-5(9)7(8)3-4-11-6(2)10/h7H,3-4H2,1-2H3",LQKQGYIKTRJVJF-UHFFFAOYSA-N,C7H11ClO3,178.61,178.0396719,0.9,43.4,156,0,0,3,5,11,,,0,0,0,0,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,1
"Malononitrile, dichloro-",13063-43-9,25660,"2,2-dichloropropanedinitrile",C(#N)C(C#N)(Cl)Cl,"InChI=1S/C3Cl2N2/c4-3(5,1-6)2-7",NCWGPYPDPWOJKC-UHFFFAOYSA-N,C3Cl2N2,134.95,133.9438534,1.1,47.6,136,0,0,2,0,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanol, 2-(ethylnitrosamino)-",13147-25-6,25742,N-ethyl-N-(2-hydroxyethyl)nitrous amide,CCN(CCO)N=O,"InChI=1S/C4H10N2O2/c1-2-6(5-8)3-4-7/h7H,2-4H2,1H3",HNQBPUIXFDQDRJ-UHFFFAOYSA-N,C4H10N2O2,118.13,118.0742276,-0.1,52.9,67,0,1,4,3,8,,,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"L-Aspartic acid, N-(aminocarbonyl)-",13184-27-5,93072,(2S)-2-(carbamoylamino)butanedioic acid,C([C@@H](C(=O)O)NC(=O)N)C(=O)O,"InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)/t2-/m0/s1",HLKXYZVTANABHZ-REOHCLBHSA-N,C5H8N2O5,176.13,176.0433214,-1.9,130,214,0,4,5,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Plumbane dichlorodiethyl-,13231-90-8,316526,dichloro(diethyl)plumbane,CC[Pb](CC)(Cl)Cl,"InChI=1S/2C2H5.2ClH.Pb/c2*1-2;;;/h2*1H2,2H3;2*1H;/q;;;;+2/p-2",LXKLAFGSADZFAV-UHFFFAOYSA-L,C4H10Cl2Pb,336,335.99261,,0,47,0,0,0,2,7,,,1,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Dipentylamine, N-nitroso-",13256-06-9,252237,"N,N-dipentylnitrous amide",CCCCCN(CCCCC)N=O,"InChI=1S/C10H22N2O/c1-3-5-7-9-12(11-13)10-8-6-4-2/h3-10H2,1-2H3",OELWBYBVFOLSTA-UHFFFAOYSA-N,C10H22N2O,186.29,186.1732133,3.7,32.7,107,0,0,3,8,13,,"295 °F at 12 mmHg (NTP, 1992)",0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pentylamine, N-methyl-N-nitroso-",13256-07-0,25805,N-methyl-N-pentylnitrous amide,CCCCCN(C)N=O,"InChI=1S/C6H14N2O/c1-3-4-5-6-8(2)7-9/h3-6H2,1-2H3",KSFCDINBDBFFSI-UHFFFAOYSA-N,C6H14N2O,130.19,130.1106131,2,32.7,75,0,0,3,4,9,,,0,0,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Ethylenediamine, N,N'-dimethyl-N,N'-dinitroso-",13256-12-7,25806,N-methyl-N-[2-[methyl(nitroso)amino]ethyl]nitrous amide,CN(CCN(C)N=O)N=O,"InChI=1S/C4H10N4O2/c1-7(5-9)3-4-8(2)6-10/h3-4H2,1-2H3",YHIARNFLMZPJGR-UHFFFAOYSA-N,C4H10N4O2,146.15,146.0803756,0.2,65.3,104,0,0,6,3,10,,,0,0,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Plumbane, acetoxytripropyl-",13266-07-4,16683283,tripropylplumbyl acetate,CCC[Pb](CCC)(CCC)OC(=O)C,"InChI=1S/3C3H7.C2H4O2.Pb/c3*1-3-2;1-2(3)4;/h3*1,3H2,2H3;1H3,(H,3,4);/q;;;;+1/p-1",QBXGDVRBHWSCMI-UHFFFAOYSA-M,C11H24O2Pb,395,396.15428,,26.3,152,0,0,2,8,14,,,1,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"2-Butyn-1-ol, 4-chloro-",13280-07-4,202775,4-chlorobut-2-yn-1-ol,C(C#CCCl)O,"InChI=1S/C4H5ClO/c5-3-1-2-4-6/h6H,3-4H2",RPUJAOFSZSEVPC-UHFFFAOYSA-N,C4H5ClO,104.53,104.0028925,0.7,20.2,76,0,1,1,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbamic chloride, 1,6-dibutyl-",13358-73-1,83371,"N,N-dibutylcarbamoyl chloride",CCCCN(CCCC)C(=O)Cl,"InChI=1S/C9H18ClNO/c1-3-5-7-11(9(10)12)8-6-4-2/h3-8H2,1-2H3",OSWBZCCZJXCOGL-UHFFFAOYSA-N,C9H18ClNO,191.7,191.1076919,3.3,20.3,120,0,0,1,6,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Acetic acid, cyano-, hexyl ester",13361-53-0,25920,hexyl 2-cyanoacetate,CCCCCCOC(=O)CC#N,"InChI=1S/C9H15NO2/c1-2-3-4-5-8-12-9(11)6-7-10/h2-6,8H2,1H3",PWKKBTPSCGLYBR-UHFFFAOYSA-N,C9H15NO2,169.22,169.1102787,2.3,50.1,169,0,0,3,7,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Butene, 1-chloro-2-methyl-",13417-43-1,5365904,(E)-1-chloro-2-methylbut-2-ene,C/C=C(\C)/CCl,"InChI=1S/C5H9Cl/c1-3-5(2)4-6/h3H,4H2,1-2H3/b5-3+",ZAJKEDQTROWDDD-HWKANZROSA-N,C5H9Cl,104.58,104.039278,2.3,0,55,0,0,0,1,6,,,0,0,1,1,0,0,1,0,1,0,0,0,0,0,0,0,1,1,0,0
Magnesium thiosulfate hexahydrate,13446-30-5,26002,magnesium;dioxido-oxo-sulfanylidene-lambda6-sulfane;hexahydrate,O.O.O.O.O.O.[O-]S(=O)(=S)[O-].[Mg+2],"InChI=1S/Mg.H2O3S2.6H2O/c;1-5(2,3)4;;;;;;/h;(H2,1,2,3,4);6*1H2/q+2;;;;;;;/p-2",CQDMJJVHDPDPHO-UHFFFAOYSA-L,H12MgO9S2,244.5,243.977316,,110,82,0,6,10,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butanenitrile, 2,2'-azobis(2-methyl-",13472-08-7,93079,2-(2-cyanobutan-2-yldiazenyl)-2-methylbutanenitrile,CCC(C)(C#N)N=NC(C)(CC)C#N,"InChI=1S/C10H16N4/c1-5-9(3,7-11)13-14-10(4,6-2)8-12/h5-6H2,1-4H3",AVTLBBWTUPQRAY-UHFFFAOYSA-N,C10H16N4,192.26,192.1374965,2.4,72.3,284,0,0,4,4,14,,,0,0,0,1,0,0,1,0,1,0,0,0,1,0,0,1,0,0,0,0
"Butyric acid, 4-amino-2-hydroxy-",13477-53-7,26062,4-amino-2-hydroxybutanoic acid,C(CN)C(C(=O)O)O,"InChI=1S/C4H9NO3/c5-2-1-3(6)4(7)8/h3,6H,1-2,5H2,(H,7,8)",IVUOMFWNDGNLBJ-UHFFFAOYSA-N,C4H9NO3,119.12,119.0582431,-3.7,83.6,83,0,3,4,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Nitric acid, beryllium salt, tetrahydrate",13510-48-0,26076,beryllium;dinitrate;tetrahydrate,[Be+2].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O,InChI=1S/Be.2NO3.4H2O/c;2*2-1(3)4;;;;/h;;;4*1H2/q+2;2*-1;;;;,SIJGTOZRLHNHJK-UHFFFAOYSA-N,BeH8N2O10,205.08,205.0300775,,130,18,0,4,10,0,13,,,0,0,1,1,0,1,1,1,0,0,0,0,0,0,0,0,1,1,1,1
"2-Butenoic acid, 3-amino-, thiodi-2,1-ethanediyl ester",13560-49-1,6437822,2-[2-[(E)-3-aminobut-2-enoyl]oxyethylsulfanyl]ethyl (Z)-3-aminobut-2-enoate,C/C(=C\C(=O)OCCSCCOC(=O)/C=C(/C)\N)/N,"InChI=1S/C12H20N2O4S/c1-9(13)7-11(15)17-3-5-19-6-4-18-12(16)8-10(2)14/h7-8H,3-6,13-14H2,1-2H3/b9-7-,10-8+",GZVBGWRBVGVPLI-FKJILZIQSA-N,C12H20N2O4S,288.37,288.1143783,1.6,130,333,0,2,7,10,19,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Vanadate(3-), hexafluoro-, triammonium salt",13815-31-1,203094,triazanium;vanadium;hexafluoride,[NH4+].[NH4+].[NH4+].[F-].[F-].[F-].[F-].[F-].[F-].[V],InChI=1S/6FH.3H3N.V/h6*1H;3*1H3;/p-3,PURSFTZXXIKJST-UHFFFAOYSA-K,F6H12N3V-3,219.05,219.037499,,3,0,-3,3,6,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Platinate (1-), amminetrichloro-, potassium",13820-91-2,11810450,potassium;azane;trichloroplatinum(1-),N.Cl[Pt-](Cl)Cl.[K+],InChI=1S/3ClH.K.H3N.Pt/h3*1H;;1H3;/q;;;+1;;+2/p-3,PIFYEDQIQOTXLO-UHFFFAOYSA-K,Cl3H3KNPt,357.6,355.861608,,1,8,0,1,2,0,6,,,0,1,1,1,0,1,0,1,0,0,1,0,0,1,1,0,1,1,0,1
"Methanesulfinothioic acid, S-methyl ester",13882-12-7,95200,methylsulfinylsulfanylmethane,CSS(=O)C,InChI=1S/C2H6OS2/c1-4-5(2)3/h1-2H3,RRGUMJYEQDVBFP-UHFFFAOYSA-N,C2H6OS2,110.2,109.9860072,-0.1,61.6,42,0,0,3,1,5,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butyronitrile, 2-amino-2,3-dimethyl-",13893-53-3,94355,"2-amino-2,3-dimethylbutanenitrile",CC(C)C(C)(C#N)N,"InChI=1S/C6H12N2/c1-5(2)6(3,8)4-7/h5H,8H2,1-3H3",CAOHBROWLMCZRP-UHFFFAOYSA-N,C6H12N2,112.17,112.1000484,0.6,49.8,120,0,1,2,1,8,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Nickel, bis(dibutyldithiocarbamato)-",13927-77-0,6101499,"bis(N,N-dibutylcarbamodithioate);nickel(2+)",CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Ni+2],"InChI=1S/2C9H19NS2.Ni/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2",HPOWMHUJHHIQGP-UHFFFAOYSA-L,C18H36N2NiS4,467.5,466.111476,,72.7,112,0,0,4,12,25,,,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Chromium(3+), tris(1,2-ethanediamine-N,N')-, trichloride, (OC-6-11)-",14023-00-8,166980,"chromium(3+);tris(ethane-1,2-diamine);trichloride",C(CN)N.C(CN)N.C(CN)N.[Cl-].[Cl-].[Cl-].[Cr+3],InChI=1S/3C2H8N2.3ClH.Cr/c3*3-1-2-4;;;;/h3*1-4H2;3*1H;/q;;;;;;+3/p-3,LIUCHLNHBFTPDJ-UHFFFAOYSA-K,C6H24Cl3CrN6,338.6,337.053308,,156,6,0,6,9,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Manganate(3-), hexacyano-, tripotassium",14023-90-6,26400,tripotassium;manganese;hexacyanide,[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[K+].[K+].[Mn],InChI=1S/6CN.3K.Mn/c6*1-2;;;;/q6*-1;3*+1;,LZBBTZQCVXSUJB-UHFFFAOYSA-N,C6K3MnN6-3,328.34,327.847607,,143,127,-3,0,12,0,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Platinate(2-), tetrakis(thiocyanato)-, dipotassium",14244-61-2,71311417,dipotassium;platinum(2+);tetrathiocyanate,C(#N)[S-].C(#N)[S-].C(#N)[S-].C(#N)[S-].[K+].[K+].[Pt+2],InChI=1S/4CHNS.2K.Pt/c4*2-1-3;;;/h4*3H;;;/q;;;;2*+1;+2/p-4,HFSDIGGSMJDZEA-UHFFFAOYSA-J,C4K2N4PtS4,505.6,504.792788,,99.2,186,0,0,8,0,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Zincate(2-), tetracyano-, dipotassium",14244-62-3,61720,dipotassium;zinc;tetracyanide,[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[K+].[Zn+2],InChI=1S/4CN.2K.Zn/c4*1-2;;;/q4*-1;2*+1;+2,BQNXRYOAGXEBSH-UHFFFAOYSA-N,C4K2N4Zn,247.6,245.868851,,95.2,76,0,0,8,0,11,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Potassium, oxalatoplatinate, dihydrate",14244-64-5,56841024,dipotassium;oxalate;platinum(2+);dihydrate,C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].O.O.[K+].[K+].[Pt+2],"InChI=1S/2C2H2O4.2K.2H2O.Pt/c2*3-1(4)2(5)6;;;;;/h2*(H,3,4)(H,5,6);;;2*1H2;/q;;2*+1;;;+2/p-4",OOFIORZMOKMUAK-UHFFFAOYSA-J,C4H4K2O10Pt,485.35,484.872654,,163,172,0,2,10,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Ethanesulfonic acid, isopropyl ester",14245-62-6,134677,propan-2-yl ethanesulfonate,CCS(=O)(=O)OC(C)C,"InChI=1S/C5H12O3S/c1-4-9(6,7)8-5(2)3/h5H,4H2,1-3H3",COCAPDHQLSKPBJ-UHFFFAOYSA-N,C5H12O3S,152.21,152.0507154,0.8,51.8,152,0,0,3,3,9,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Propane, 1,1,3-trimethoxy-",14315-97-0,84348,"1,1,3-trimethoxypropane",COCCC(OC)OC,"InChI=1S/C6H14O3/c1-7-5-4-6(8-2)9-3/h6H,4-5H2,1-3H3",FKZYYYDRLJCHGL-UHFFFAOYSA-N,C6H14O3,134.17,134.0942943,0.3,27.7,52,0,0,3,5,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Propanoic acid, 2-butoxy-",14620-87-2,13668407,2-butoxypropanoic acid,CCCCOC(C)C(=O)O,"InChI=1S/C7H14O3/c1-3-4-5-10-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)",LXSVWFRZICUOLU-UHFFFAOYSA-N,C7H14O3,146.18,146.0942943,1.3,46.5,101,0,1,3,5,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanethiol, 2-((3-aminopropyl)amino)-, dihydrochloride",14653-77-1,146169,2-(3-aminopropylamino)ethanethiol;dihydrochloride,C(CN)CNCCS.Cl.Cl,"InChI=1S/C5H14N2S.2ClH/c6-2-1-3-7-4-5-8;;/h7-8H,1-6H2;2*1H",XDRLRDHLCIFZIW-UHFFFAOYSA-N,C5H16Cl2N2S,207.16,206.0411251,,39.1,41,0,5,3,5,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Chromic acid, nickel(2+) salt (1:1)",14721-18-7,61767,dioxido(dioxo)chromium;nickel(2+),[O-][Cr](=O)(=O)[O-].[Ni+2],InChI=1S/Cr.Ni.4O/q;+2;;;2*-1,QGAXAFUJMMYEPE-UHFFFAOYSA-N,CrNiO4,174.687,173.855505,,80.3,62,0,0,4,0,6,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1,1,0
"2-Nonenoic acid, (2E)-",14812-03-4,5312586,(E)-non-2-enoic acid,CCCCCC/C=C/C(=O)O,"InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/b8-7+",ADLXTJMPCFOTOO-BQYQJAHWSA-N,C9H16O2,156.22,156.1150297,3.2,37.3,128,0,1,2,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"3-Heptanol, 4-methyl-",14979-39-6,26989,4-methylheptan-3-ol,CCCC(C)C(CC)O,"InChI=1S/C8H18O/c1-4-6-7(3)8(9)5-2/h7-9H,4-6H2,1-3H3",BKQICAFAUMRYLZ-UHFFFAOYSA-N,C8H18O,130.23,130.1357652,2.7,20.2,61,0,1,1,4,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Propanoic acid, 3-(hydroxymethylphosphinyl)-",15090-23-0,84788,3-[hydroxy(methyl)phosphoryl]propanoic acid,CP(=O)(CCC(=O)O)O,"InChI=1S/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)",QXFUBAAEKCHBQY-UHFFFAOYSA-N,C4H9O4P,152.09,152.0238458,-1.6,74.6,153,0,2,4,3,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Propane, 1,1,2,3,3-pentachloro-",15104-61-7,27027,"1,1,2,3,3-pentachloropropane",C(C(Cl)Cl)(C(Cl)Cl)Cl,InChI=1S/C3H3Cl5/c4-1(2(5)6)3(7)8/h1-3H,PANVCEBTPSTUEL-UHFFFAOYSA-N,C3H3Cl5,216.3,215.864788,3,0,52,0,0,0,2,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Arsenenic acid, sodium salt",15120-17-9,23675353,,[O-][As](=O)=O.[Na+],"InChI=1S/AsHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1",MNSRNEWGVNQDQV-UHFFFAOYSA-M,AsNaO3,145.91,145.896108,,57.2,49,0,0,3,0,5,,,0,1,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"Ethanamine, N-ethyl-N-((triethoxysilyl)methyl)-",15180-47-9,203781,N-ethyl-N-(triethoxysilylmethyl)ethanamine,CCN(CC)C[Si](OCC)(OCC)OCC,"InChI=1S/C11H27NO3Si/c1-6-12(7-2)11-16(13-8-3,14-9-4)15-10-5/h6-11H2,1-5H3",UMXXGDJOCQSQBV-UHFFFAOYSA-N,C11H27NO3Si,249.42,249.1760203,,30.9,148,0,0,4,10,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Chromium, tetrachloro-mu-hydroxy(mu-(octadecanoato-O:O'))di-",15242-96-3,3034068,bis(chromium(3+));octadecanoate;tetrachloride;hydroxide,CCCCCCCCCCCCCCCCCC(=O)[O-].[OH-].[Cl-].[Cl-].[Cl-].[Cl-].[Cr+3].[Cr+3],"InChI=1S/C18H36O2.4ClH.2Cr.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;;;;/h2-17H2,1H3,(H,19,20);4*1H;;;1H2/q;;;;;2*+3;/p-6",OOOBCBJWKXTYAX-UHFFFAOYSA-H,C18H36Cl4Cr2O3,546.3,546.019915,,41.1,196,0,1,7,15,27,"36 °F (NTP, 1992)","180 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamic acid, thio-, S,S'-(2-(dimethylamino)trimethylene) ester",15263-53-3,27159,S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate,CN(C)C(CSC(=O)N)CSC(=O)N,"InChI=1S/C7H15N3O2S2/c1-10(2)5(3-13-6(8)11)4-14-7(9)12/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,12)",IRUJZVNXZWPBMU-UHFFFAOYSA-N,C7H15N3O2S2,237.3,237.0605691,0,140,193,0,2,5,7,14,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Erythritol, 1,4-dibromo-1,4-dideoxy-, (O)-(+)-",15410-44-3,98512,"1,4-dibromobutane-2,3-diol",C(C(C(CBr)O)O)Br,"InChI=1S/C4H8Br2O2/c5-1-3(7)4(8)2-6/h3-4,7-8H,1-2H2",XOWDQAHYPSENAC-UHFFFAOYSA-N,C4H8Br2O2,247.91,247.88706,0.5,40.5,52,0,2,2,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Choline, chloride, dihydrogen phosphate calcium, tetrahydrate",15557-11-6,20968,calcium;2-(trimethylazaniumyl)ethyl phosphate;chloride,C[N+](C)(C)CCOP(=O)([O-])[O-].[Cl-].[Ca+2],"InChI=1S/C5H14NO4P.Ca.ClH/c1-6(2,3)4-5-10-11(7,8)9;;/h4-5H2,1-3H3,(H-,7,8,9);;1H/q;+2;/p-2",ICVPTJCCKTXCDT-UHFFFAOYSA-L,C5H13CaClNO4P,257.66,256.9896634,,72.4,147,0,0,5,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Butenoic acid, 4,4'-((dioctylstannylene)bis(oxy))bis(4-oxo-, (Z,Z)-",15571-60-5,16684013,(Z)-4-[[(Z)-3-carboxyprop-2-enoyl]oxy-dioctylstannyl]oxy-4-oxobut-2-enoic acid,CCCCCCCC[Sn](OC(=O)/C=C\C(=O)O)(OC(=O)/C=C\C(=O)O)CCCCCCCC,"InChI=1S/2C8H17.2C4H4O4.Sn/c2*1-3-5-7-8-6-4-2;2*5-3(6)1-2-4(7)8;/h2*1,3-8H2,2H3;2*1-2H,(H,5,6)(H,7,8);/q;;;;+2/p-2/b;;2*2-1-;",WNEDOMBPJDUQPS-BFIADXHOSA-L,C24H40O8Sn,575.3,576.174521,,127,601,0,2,8,22,33,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Carbamic acid, vinyl ester",15805-73-9,27492,ethenyl carbamate,C=COC(=O)N,"InChI=1S/C3H5NO2/c1-2-6-3(4)5/h2H,1H2,(H2,4,5)",LVLANIHJQRZTPY-UHFFFAOYSA-N,C3H5NO2,87.08,87.0320284,0,52.3,69,0,1,2,2,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Ethylamine, 2,2'-((dimethylsilylene)dioxy)bis-",15942-80-0,27573,2-[2-aminoethoxy(dimethyl)silyl]oxyethanamine,C[Si](C)(OCCN)OCCN,"InChI=1S/C6H18N2O2Si/c1-11(2,9-5-3-7)10-6-4-8/h3-8H2,1-2H3",XCYUKUCZYUZAOV-UHFFFAOYSA-N,C6H18N2O2Si,178.3,178.1137544,,70.5,90,0,2,4,6,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Antimonate(2-), bis(mu-(2,3-dihydroxybutanedioato(4-)-O1,O2:O3,O4))di-, dipotassium, trihydrate, stereoisomer",16039-64-8,56846568,"potassium;antimony(3+);bis(2,3-dihydroxybutanedioate)",C(C(C(=O)[O-])O)(C(=O)[O-])O.C(C(C(=O)[O-])O)(C(=O)[O-])O.[K+].[Sb+3],"InChI=1S/2C4H6O6.K.Sb/c2*5-1(3(7)8)2(6)4(9)10;;/h2*1-2,5-6H,(H,7,8)(H,9,10);;/q;;+1;+3/p-4",IIQJBVZYLIIMND-UHFFFAOYSA-J,C8H8KO12Sb,457,455.86909,,241,123,0,4,12,2,22,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Methanesulfonic acid, 2-methylpropyl ester",16156-53-9,119240,2-methylpropyl methanesulfonate,CC(C)COS(=O)(=O)C,"InChI=1S/C5H12O3S/c1-5(2)4-8-9(3,6)7/h5H,4H2,1-3H3",PZMKMCFRTKGVOL-UHFFFAOYSA-N,C5H12O3S,152.21,152.0507154,1,51.8,152,0,0,3,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Methanesulfonic acid, 3-methylbutyl ester",16156-55-1,21336698,3-methylbutyl methanesulfonate,CC(C)CCOS(=O)(=O)C,"InChI=1S/C6H14O3S/c1-6(2)4-5-9-10(3,7)8/h6H,4-5H2,1-3H3",CPKOUXPEJOKKNM-UHFFFAOYSA-N,C6H14O3S,166.24,166.0663655,1.3,51.8,164,0,0,3,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Ethanesulfonic acid, 2,2'-dithiobis-, disodium salt",16208-51-8,65625,disodium;2-(2-sulfonatoethyldisulfanyl)ethanesulfonate,C(CS(=O)(=O)[O-])SSCCS(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C4H10O6S4.2Na/c5-13(6,7)3-1-11-12-2-4-14(8,9)10;;/h1-4H2,(H,5,6,7)(H,8,9,10);;/q;2*+1/p-2",KQYGMURBTJPBPQ-UHFFFAOYSA-L,C4H8Na2O6S4,326.4,325.8999112,,182,268,0,0,8,5,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Heptylamine, N-methyl-N-nitroso-",16338-99-1,27822,N-heptyl-N-methylnitrous amide,CCCCCCCN(C)N=O,"InChI=1S/C8H18N2O/c1-3-4-5-6-7-8-10(2)9-11/h3-8H2,1-2H3",REAKWIQVJUHNOX-UHFFFAOYSA-N,C8H18N2O,158.24,158.1419132,3.1,32.7,96,0,0,3,6,11,,,0,0,0,1,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"Diethylamine, 1-methyl-N-nitroso-",16339-04-1,27824,N-ethyl-N-propan-2-ylnitrous amide,CCN(C(C)C)N=O,"InChI=1S/C5H12N2O/c1-4-7(6-8)5(2)3/h5H,4H2,1-3H3",VGGZTNNNXAUZLB-UHFFFAOYSA-N,C5H12N2O,116.16,116.094963,0.9,32.7,72,0,0,3,2,8,,,0,1,1,1,0,1,1,0,1,0,0,0,0,0,0,0,0,0,0,1
"Ethylamine, 2-chloro-N-methyl-N-nitroso-",16339-16-5,27829,N-(2-chloroethyl)-N-methylnitrous amide,CN(CCCl)N=O,"InChI=1S/C3H7ClN2O/c1-6(5-7)3-2-4/h2-3H2,1H3",JTJQWOJKHHOSMK-UHFFFAOYSA-N,C3H7ClN2O,122.55,122.0246905,0.8,32.7,58,0,0,3,2,7,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propanenitrile, 2-(methylamino)-",16752-54-8,93083,2-(methylamino)propanenitrile,CC(C#N)NC,"InChI=1S/C4H8N2/c1-4(3-5)6-2/h4,6H,1-2H3",MTKGPLGETVCLCF-UHFFFAOYSA-N,C4H8N2,84.12,84.06874826,0,35.8,68,0,1,2,1,6,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Tungsten, tris(acetonitrile)tricarbonyl-",16800-47-8,11003671,tris(acetonitrile);carbon monoxide;tungsten,CC#N.CC#N.CC#N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[W],InChI=1S/3C2H3N.3CO.W/c3*1-2-3;3*1-2;/h3*1H3;;;;,MHVAYSUFFMSBKA-UHFFFAOYSA-N,C9H9N3O3W,391.03,391.015324,,74.4,39,0,0,6,0,16,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Platinum(IV), diamminetetrachloro-, (Z)-",16893-05-3,150168,azane;platinum(4+);tetrachloride,N.N.[Cl-].[Cl-].[Cl-].[Cl-].[Pt+4],InChI=1S/4ClH.2H3N.Pt/h4*1H;2*1H3;/q;;;;;;+4/p-4,RBHOYUZKIANPPG-UHFFFAOYSA-J,Cl4H6N2Pt,371,370.890353,,2,0,0,2,6,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
"Gold chloride, hydrochloride, trihydrate",16961-25-4,44134746,trichlorogold;trihydrate;hydrochloride,O.O.O.Cl.Cl[Au](Cl)Cl,InChI=1S/Au.4ClH.3H2O/h;4*1H;3*1H2/q+3;;;;;;;/p-3,XYYVDQWGDNRQDA-UHFFFAOYSA-K,AuCl4H7O3,393.8,393.87855,,3,8,0,4,3,0,8,,,0,0,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,1,1,0
"Propanoic acid, cadmium salt",16986-83-7,197953,cadmium(2+);propanoate,CCC(=O)[O-].CCC(=O)[O-].[Cd+2],"InChI=1S/2C3H6O2.Cd/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2",JTZFNJUMDPPGBY-UHFFFAOYSA-L,C6H10CdO4,258.55,259.961274,,80.3,34,0,0,4,0,11,,,0,1,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"Ammonium, methyltrioctyl-, borohydride",17083-38-4,6328189,,[B-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC,"InChI=1S/C25H54N.B/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;/h5-25H2,1-4H3;/q+1;-1",UHMVZDZCXGNDJJ-UHFFFAOYSA-N,C25H54BN,379.5,379.4349309,,0,220,0,0,1,21,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Iron, (hydrogen(ethylenedinitrilo)tetraacetato)-",17099-81-9,28283,2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;iron(3+),C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Fe+3],"InChI=1S/C10H16N2O8.Fe/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);/q;+3/p-3",UOMQUZPKALKDCA-UHFFFAOYSA-K,C10H13FeN2O8,345.06,345.002126,,164,351,0,1,10,8,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Ethylamine, 2,2'-dithiobis(N,N-dimethyl-, dihydrochloride",17339-60-5,12574418,"2-[2-(dimethylamino)ethyldisulfanyl]-N,N-dimethylethanamine;dihydrochloride",CN(C)CCSSCCN(C)C.Cl.Cl,"InChI=1S/C8H20N2S2.2ClH/c1-9(2)5-7-11-12-8-6-10(3)4;;/h5-8H2,1-4H3;2*1H",OJNVDODUOWHJPK-UHFFFAOYSA-N,C8H22Cl2N2S2,281.3,280.0601464,,57.1,85,0,2,4,7,14,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"2-Butanol, 3,3,4,4-tetrafluoro-",17425-25-1,28533,"3,3,4,4-tetrafluorobutan-2-ol",CC(C(C(F)F)(F)F)O,"InChI=1S/C4H6F4O/c1-2(9)4(7,8)3(5)6/h2-3,9H,1H3",UPMGUZUMWYWMKI-UHFFFAOYSA-N,C4H6F4O,146.08,146.0354775,1.5,20.2,92,0,1,5,2,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamic acid, diethyldithio-, lead(II) salt",17549-30-3,28593,"bis(N,N-diethylcarbamodithioate);lead(2+)",CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Pb+2],"InChI=1S/2C5H11NS2.Pb/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2",XTFSWQKNABTKAT-UHFFFAOYSA-L,C10H20N2PbS4,504,504.02759,,72.7,73,0,0,4,4,17,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Acetic acid, thio-, S-2-aminoethyl ester, hydrochloride",17612-91-8,519453,S-(2-aminoethyl) ethanethioate;hydrochloride,CC(=O)SCCN.Cl,"InChI=1S/C4H9NOS.ClH/c1-4(6)7-3-2-5;/h2-3,5H2,1H3;1H",AWSDWONPEAAYIB-UHFFFAOYSA-N,C4H10ClNOS,155.65,155.0171628,,68.4,64,0,2,3,3,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, 2-chloro-N-(2-cyanoethyl)-",17756-81-9,87296,2-chloro-N-(2-cyanoethyl)acetamide,C(CNC(=O)CCl)C#N,"InChI=1S/C5H7ClN2O/c6-4-5(9)8-3-1-2-7/h1,3-4H2,(H,8,9)",WECIKJKLCDCIMY-UHFFFAOYSA-N,C5H7ClN2O,146.57,146.0246905,-0.1,52.9,137,0,1,2,3,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Choline, iodide",17773-10-3,87300,2-hydroxyethyl(trimethyl)azanium iodide,C[N+](C)(C)CCO.[I-],"InChI=1S/C5H14NO.HI/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1",FNPBHXSBDADRBT-UHFFFAOYSA-M,C5H14INO,231.08,231.01201,,20.2,46,0,1,2,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cobalt, tri-mu-carbonylnonacarbonyltetra-, tetrahydro-",17786-31-1,6096999,carbon monoxide;cobalt,[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].[Co].[Co],InChI=1S/12CO.4Co/c12*1-2;;;;,YMFAWOSEDSLYSZ-UHFFFAOYSA-N,C12Co4O12,571.85,571.67175,,12,10,0,0,12,0,28,,,0,0,1,1,0,1,0,0,0,1,0,0,0,0,0,0,0,1,0,0
2-Pentanesulfonamide,17854-62-5,205367,pentane-2-sulfonamide,CCCC(C)S(=O)(=O)N,"InChI=1S/C5H13NO2S/c1-3-4-5(2)9(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)",RJKFMNAOIIXTBV-UHFFFAOYSA-N,C5H13NO2S,151.23,151.0666998,0.6,68.5,156,0,1,3,3,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propionitrile, 3-(dimethylamino)-, hydrochloride",18076-02-3,205493,3-(dimethylamino)propanenitrile;hydrochloride,CN(C)CCC#N.Cl,"InChI=1S/C5H10N2.ClH/c1-7(2)5-3-4-6;/h3,5H2,1-2H3;1H",VXYYGUQECNRTJT-UHFFFAOYSA-N,C5H11ClN2,134.61,134.0610761,,27,77,0,1,2,2,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanethiol, 2-(trimethylsilyl)-",18143-30-1,205521,2-trimethylsilylethanethiol,C[Si](C)(C)CCS,"InChI=1S/C5H14SSi/c1-7(2,3)5-4-6/h6H,4-5H2,1-3H3",BCOLNMGFOWHFNI-UHFFFAOYSA-N,C5H14SSi,134.32,134.0585482,,1,46,0,1,1,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Propanedinitrile, (bis(ethylthio)methylene)-",18771-38-5,161256,2-[bis(ethylsulfanyl)methylidene]propanedinitrile,CCSC(=C(C#N)C#N)SCC,"InChI=1S/C8H10N2S2/c1-3-11-8(12-4-2)7(5-9)6-10/h3-4H2,1-2H3",FJQWUIXBQMGVPS-UHFFFAOYSA-N,C8H10N2S2,198.3,198.0285407,2.1,98.2,237,0,0,4,4,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propionyl chloride, 2,3-dibromo-",18791-02-1,86790,"2,3-dibromopropanoyl chloride",C(C(C(=O)Cl)Br)Br,"InChI=1S/C3H3Br2ClO/c4-1-2(5)3(6)7/h2H,1H2",HWKWYDXHMQQDQJ-UHFFFAOYSA-N,C3H3Br2ClO,250.31,249.82187,2.4,17.1,75,0,0,1,2,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"2-Butene, 1,4-dibromo-2-methyl-",18860-95-2,6444819,"(E)-1,4-dibromo-2-methylbut-2-ene",C/C(=C\CBr)/CBr,"InChI=1S/C5H8Br2/c1-5(4-7)2-3-6/h2H,3-4H2,1H3/b5-2+",HICPKHPJQJZCFP-GORDUTHDSA-N,C5H8Br2,227.92,227.89723,2.7,0,66,0,0,0,2,7,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
Peroxynitrite,19059-14-4,104806,oxido nitrite,N(=O)O[O-],InChI=1S/HNO3/c2-1-4-3/h3H/p-1,CMFNMSMUKZHDEY-UHFFFAOYSA-M,NO3-,62.005,61.98781786,-0.5,61.7,17,-1,0,4,0,4,,,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Malonal, 3,3-dimethyl acetal",19060-10-7,29398,"3,3-dimethoxypropanal",COC(CC=O)OC,"InChI=1S/C5H10O3/c1-7-5(8-2)3-4-6/h4-5H,3H2,1-2H3",KXVQJIFNPZJOTG-UHFFFAOYSA-N,C5H10O3,118.13,118.0629942,-0.5,35.5,58,0,0,3,4,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"3,6,9,12,15-Pentaoxatricosan-1-ol",19327-40-3,159866,2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol,CCCCCCCCOCCOCCOCCOCCOCCO,"InChI=1S/C18H38O6/c1-2-3-4-5-6-7-9-20-11-13-22-15-17-24-18-16-23-14-12-21-10-8-19/h19H,2-18H2,1H3",MJELOWOAIAAUJT-UHFFFAOYSA-N,C18H38O6,350.5,350.2668389,2.3,66.4,216,0,1,6,21,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Guanidine, ethyl-, monohydrochloride",19341-54-9,11297964,2-ethylguanidine;hydrochloride,CCN=C(N)N.Cl,"InChI=1S/C3H9N3.ClH/c1-2-6-3(4)5;/h2H2,1H3,(H4,4,5,6);1H",GVSGVBVZXJOLDD-UHFFFAOYSA-N,C3H10ClN3,123.58,123.056325,,64.4,53,0,3,1,1,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Butanol, 1,4-dibromo-",19398-47-1,29570,"1,4-dibromobutan-2-ol",C(CBr)C(CBr)O,"InChI=1S/C4H8Br2O/c5-2-1-4(7)3-6/h4,7H,1-3H2",PSSRAPMBSMSACN-UHFFFAOYSA-N,C4H8Br2O,231.91,231.89214,1.5,20.2,40,0,1,1,3,7,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Cysteine, N-formyl-, L-",19538-78-4,29649,(2R)-2-formamido-3-sulfanylpropanoic acid,C([C@@H](C(=O)O)NC=O)S,"InChI=1S/C4H7NO3S/c6-2-5-3(1-9)4(7)8/h2-3,9H,1H2,(H,5,6)(H,7,8)/t3-/m0/s1",JTGVRUVUKGUTRL-VKHMYHEASA-N,C4H7NO3S,149.17,149.0146643,-0.5,67.4,116,0,3,4,3,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbamic acid, (3-dimethylaminopropyl)thio-, S-ethyl ester, hydrochloride",19622-19-6,13503892,S-ethyl N-[3-(dimethylamino)propyl]carbamothioate;hydrochloride,CCSC(=O)NCCCN(C)C.Cl,"InChI=1S/C8H18N2OS.ClH/c1-4-12-8(11)9-6-5-7-10(2)3;/h4-7H2,1-3H3,(H,9,11);1H",NMFAMPYSJHIYMR-UHFFFAOYSA-N,C8H19ClN2OS,226.77,226.0906621,,57.6,128,0,2,3,6,13,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Tin, di-n-butyl-, di(hexadecylmaleate)",19706-58-2,16684038,4-O-[dibutyl-[(Z)-4-hexadecoxy-4-oxobut-2-enoyl]oxystannyl] 1-O-hexadecyl (Z)-but-2-enedioate,CCCCCCCCCCCCCCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCCCCCCCCCCCCCC)(CCCC)CCCC,"InChI=1S/2C20H36O4.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-20(23)17-16-19(21)22;2*1-3-4-2;/h2*16-17H,2-15,18H2,1H3,(H,21,22);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*17-16-;;;",WKBGYBQIHPLBDZ-UWBIUZGUSA-L,C48H88O8Sn,911.9,912.550122,,105,946,0,0,8,46,57,,,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"Phosphorisocyanatidic acid, diethyl ester",20039-33-2,580184,1-[ethoxy(isocyanato)phosphoryl]oxyethane,CCOP(=O)(N=C=O)OCC,"InChI=1S/C5H10NO4P/c1-3-9-11(8,6-5-7)10-4-2/h3-4H2,1-2H3",BSCBJDQIQBYMBT-UHFFFAOYSA-N,C5H10NO4P,179.11,179.0347448,1.3,65,189,0,0,5,5,11,,,0,1,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"7-Dodecen-1-ol, (Z)-",20056-92-2,29925,dodec-7-en-1-ol,CCCCC=CCCCCCCO,"InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-6,13H,2-4,7-12H2,1H3",WWDOVTHLTQFGOZ-UHFFFAOYSA-N,C12H24O,184.32,184.1827154,4.2,20.2,108,0,1,1,9,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"beta-Alanine, N,N-dimethyl-, ethyl ester",20120-21-2,88372,ethyl 3-(dimethylamino)propanoate,CCOC(=O)CCN(C)C,"InChI=1S/C7H15NO2/c1-4-10-7(9)5-6-8(2)3/h4-6H2,1-3H3",IZMJWGJGVGRWBW-UHFFFAOYSA-N,C7H15NO2,145.2,145.1102787,0.5,29.5,102,0,0,3,5,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-Butenyldiamine, N,N,N',N'-tetraethyl-",20412-52-6,5370209,"(Z)-N,N,N',N'-tetraethylbut-2-ene-1,4-diamine",CCN(CC)C/C=C\CN(CC)CC,"InChI=1S/C12H26N2/c1-5-13(6-2)11-9-10-12-14(7-3)8-4/h9-10H,5-8,11-12H2,1-4H3/b10-9-",GTSWSDCAOQCBEH-KTKRTIGZSA-N,C12H26N2,198.35,198.2095988,2.1,6.5,119,0,0,2,8,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"tert-Butylamine, 1-methoxy-",20719-68-0,88666,1-methoxy-2-methylpropan-2-amine,CC(C)(COC)N,"InChI=1S/C5H13NO/c1-5(2,6)4-7-3/h4,6H2,1-3H3",CMZQPQQRGBOLHN-UHFFFAOYSA-N,C5H13NO,103.16,103.099714,-0.2,35.3,52,0,1,2,2,7,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"Aspartic acid, calcium salt, L-",21059-46-1,30465,calcium (2S)-2-aminobutanedioate,C([C@@H](C(=O)[O-])N)C(=O)[O-].[Ca+2],"InChI=1S/C4H7NO4.Ca/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+2/p-2/t2-;/m0./s1",OPSXJNAGCGVGOG-DKWTVANSSA-L,C4H5CaNO4,171.16,170.9844485,,106,122,0,1,5,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Platinum (II), bis(acetonitrile)dichloro-, cis-",21264-32-4,88841,bis(acetonitrile);platinum(2+);dichloride,CC#N.CC#N.[Cl-].[Cl-].[Pt+2],InChI=1S/2C2H3N.2ClH.Pt/c2*1-2-3;;;/h2*1H3;2*1H;/q;;;;+2/p-2,NSWGBUVHSQEDRN-UHFFFAOYSA-L,C4H6Cl2N2Pt,348.09,346.955598,,47.6,29,0,0,4,0,9,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"L-Cysteine, S-2-propenyl-",21593-77-1,9793905,(2R)-2-amino-3-prop-2-enylsulfanylpropanoic acid,C=CCSC[C@@H](C(=O)O)N,"InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1",ZFAHNWWNDFHPOH-YFKPBYRVSA-N,C6H11NO2S,161.22,161.0510498,-2.1,88.6,127,0,2,4,5,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Aluminum, ((2,2',2''-nitrilotris(ethanolato))(3-)-N,O,O',O'')-, (T-4)",21863-06-9,168005,aluminum 2-[bis(2-oxidoethyl)amino]ethanolate,C(C[O-])N(CC[O-])CC[O-].[Al+3],InChI=1S/C6H12NO3.Al/c8-4-1-7(2-5-9)3-6-10;/h1-6H2;/q-3;+3,IRMOUQGSNFXEJH-UHFFFAOYSA-N,C6H12AlNO3,173.15,173.0632567,,72.4,55,0,0,4,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, oxime",22059-22-9,5487681,N'-hydroxyethanimidamide,C/C(=N/O)/N,"InChI=1S/C2H6N2O/c1-2(3)4-5/h5H,1H3,(H2,3,4)",AEXITZJSLGALNH-UHFFFAOYSA-N,C2H6N2O,74.08,74.04801282,-0.6,58.6,49,0,2,2,0,5,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ammonium, bis(2-hydroxyethyl)methyldodecyl-, chloride",22340-01-8,31146,dodecyl-bis(2-hydroxyethyl)-methylazanium chloride,CCCCCCCCCCCC[N+](C)(CCO)CCO.[Cl-],"InChI=1S/C17H38NO2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-18(2,14-16-19)15-17-20;/h19-20H,3-17H2,1-2H3;1H/q+1;/p-1",YBRQEOLOGGLDGM-UHFFFAOYSA-M,C17H38ClNO2,323.9,323.2591071,,40.5,191,0,2,3,15,21,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"Propanoic acid, 2-chloro-2-methyl-, methyl ester",22421-97-2,211144,methyl 2-chloro-2-methylpropanoate,CC(C)(C(=O)OC)Cl,"InChI=1S/C5H9ClO2/c1-5(2,6)4(7)8-3/h1-3H3",GJWBUVKJZQLZNB-UHFFFAOYSA-N,C5H9ClO2,136.58,136.0291072,1.4,26.3,98,0,0,2,2,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Phosphonic acid, (dichloromethylene)bis-, disodium salt",22560-50-5,31195,disodium;[dichloro-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate,C(P(=O)(O)[O-])(P(=O)(O)[O-])(Cl)Cl.[Na+].[Na+],"InChI=1S/CH4Cl2O6P2.2Na/c2-1(3,10(4,5)6)11(7,8)9;;/h(H2,4,5,6)(H2,7,8,9);;/q;2*+1/p-2",HJKBJIYDJLVSAO-UHFFFAOYSA-L,CH2Cl2Na2O6P2,288.85,287.8499057,,121,206,0,2,6,2,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
Zirconyl citrate,22830-18-8,168070,"2-hydroxypropane-1,2,3-tricarboxylate;zirconium(3+)",C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Zr+3],"InChI=1S/C6H8O7.Zr/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3",CNOGUCUPRNUHQN-UHFFFAOYSA-K,C6H5O7Zr,280.32,278.908226,,141,211,0,1,7,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Platinum (II), bis(dimethylsulfinyl)dichloro-, cis-",22840-91-1,3035418,methylsulfinylmethane;platinum(2+);dichloride,CS(=O)C.CS(=O)C.[Cl-].[Cl-].[Pt+2],InChI=1S/2C2H6OS.2ClH.Pt/c2*1-4(2)3;;;/h2*1-2H3;2*1H;/q;;;;+2/p-2,KDADQDWVKZJTDQ-UHFFFAOYSA-L,C4H12Cl2O2PtS2,422.3,420.930372,,72.6,29,0,0,6,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, (ethylenedinitrilo)tetra-, disodium lead salt",22904-40-1,44630275,disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;lead(2+),C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Pb+2],"InChI=1S/C10H16N2O8.2Na.Pb/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;2*+1;+2/p-4",BIYQFSIBOJWRMG-UHFFFAOYSA-J,C10H12N2Na2O8Pb,541,542.01556,,167,293,0,0,10,7,23,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"3,6,9,12,15-Pentaoxapentacosan-1-ol",23244-49-7,168092,2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol,CCCCCCCCCCOCCOCCOCCOCCOCCO,"InChI=1S/C20H42O6/c1-2-3-4-5-6-7-8-9-11-22-13-15-24-17-19-26-20-18-25-16-14-23-12-10-21/h21H,2-20H2,1H3",QAXPOSPGRHYIHE-UHFFFAOYSA-N,C20H42O6,378.5,378.2981391,3.4,66.4,240,0,1,6,23,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pseudourea, 2-(3-(dimethylamino)propyl)-2-thio-, dihydrochloride",23256-33-9,24871266,3-(dimethylamino)propyl carbamimidothioate;hydrochloride,CN(C)CCCSC(=N)N.Cl,"InChI=1S/C6H15N3S.ClH/c1-9(2)4-3-5-10-6(7)8;/h3-5H2,1-2H3,(H3,7,8);1H",XFELLTMDCGRCBW-UHFFFAOYSA-N,C6H16ClN3S,197.73,197.0753464,,78.4,103,0,3,3,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1,1-bis(2-hydroxyethyl)-",23270-55-5,98687,"1,1-bis(2-hydroxyethyl)urea",C(CO)N(CCO)C(=O)N,"InChI=1S/C5H12N2O3/c6-5(10)7(1-3-8)2-4-9/h8-9H,1-4H2,(H2,6,10)",BQMXKMPREFOYHS-UHFFFAOYSA-N,C5H12N2O3,148.16,148.0847923,-2.2,86.8,101,0,3,3,4,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Crotonamide,23350-58-5,5354487,(E)-but-2-enamide,C/C=C/C(=O)N,"InChI=1S/C4H7NO/c1-2-3-4(5)6/h2-3H,1H3,(H2,5,6)/b3-2+",NQQRXZOPZBKCNF-NSCUHMNNSA-N,C4H7NO,85.1,85.05276385,0,43.1,75,0,1,1,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Zinc permangante,23414-72-4,31896,zinc dipermanganate,[O-][Mn](=O)(=O)=O.[O-][Mn](=O)(=O)=O.[Zn+2],InChI=1S/2Mn.8O.Zn/q;;;;;;;;2*-1;+2,GDWLSAUXTXZYNK-UHFFFAOYSA-N,Mn2O8Zn,303.3,301.764545,,149,95,0,0,8,0,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"Guanidine, octadecyl-, hydrochloride",23604-21-9,71436262,2-octadecylguanidine;hydrochloride,CCCCCCCCCCCCCCCCCCN=C(N)N.Cl,"InChI=1S/C19H41N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21;/h2-18H2,1H3,(H4,20,21,22);1H",WPUFMGPAQNCUGT-UHFFFAOYSA-N,C19H42ClN3,348,347.306726,,64.4,235,0,3,1,17,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propionic acid, 2-hydrazino-, ethyl ester, hydrochloride, DL-",24292-02-2,212483,ethyl 2-hydrazinylpropanoate;hydrochloride,CCOC(=O)C(C)NN.Cl,"InChI=1S/C5H12N2O2.ClH/c1-3-9-5(8)4(2)7-6;/h4,7H,3,6H2,1-2H3;1H",JCXYGMSGSQLAHF-UHFFFAOYSA-N,C5H13ClN2O2,168.62,168.0665554,,64.4,95,0,3,4,4,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, thiodi-, bis(2-ethylhexyl) ester",24293-43-4,91160,2-ethylhexyl 2-[2-(2-ethylhexoxy)-2-oxoethyl]sulfanylacetate,CCCCC(CC)COC(=O)CSCC(=O)OCC(CC)CCCC,"InChI=1S/C20H38O4S/c1-5-9-11-17(7-3)13-23-19(21)15-25-16-20(22)24-14-18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3",KYWZILPIDASSGE-UHFFFAOYSA-N,C20H38O4S,374.6,374.2490809,7,77.9,315,0,0,5,18,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Isovaleric acid, hydrazide",24310-18-7,32283,3-methylbutanehydrazide,CC(C)CC(=O)NN,"InChI=1S/C5H12N2O/c1-4(2)3-5(8)7-6/h4H,3,6H2,1-2H3,(H,7,8)",OQNKZWDYYSHLPO-UHFFFAOYSA-N,C5H12N2O,116.16,116.094963,-0.3,55.1,80,0,2,2,2,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Glycine, N-methyl-N-(phosphonomethyl)-",24569-83-3,541499,2-[methyl(phosphonomethyl)amino]acetic acid,CN(CC(=O)O)CP(=O)(O)O,"InChI=1S/C4H10NO5P/c1-5(2-4(6)7)3-11(8,9)10/h2-3H2,1H3,(H,6,7)(H2,8,9,10)",SGVDYFNFBJGOHB-UHFFFAOYSA-N,C4H10NO5P,183.1,183.0296594,-4.2,98.1,187,0,3,6,4,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamic acid, (3-(dimethylamino)propyl)-, propyl ester",24579-73-5,32490,propyl N-[3-(dimethylamino)propyl]carbamate,CCCOC(=O)NCCCN(C)C,"InChI=1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12)",WZZLDXDUQPOXNW-UHFFFAOYSA-N,C9H20N2O2,188.27,188.1524779,1.2,41.6,138,0,1,3,7,13,>100 °C (>212 °F),BP: 139-141 °C at 18 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Zirconyl sodium sulphate,24735-35-1,168200,disodium;oxozirconium(2+);disulfate,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].O=[Zr+2].[Na+].[Na+],"InChI=1S/2Na.2H2O4S.O.Zr/c;;2*1-5(2,3)4;;/h;;2*(H2,1,2,3,4);;/q2*+1;;;;+2/p-4",WPHDGHITMACHAL-UHFFFAOYSA-J,Na2O9S2Zr,345.3,343.782611,,194,64,0,0,9,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"Ethane, 1-chloro-2-(ethylsulfonyl)-",25027-40-1,101406,1-chloro-2-ethylsulfonylethane,CCS(=O)(=O)CCCl,"InChI=1S/C4H9ClO2S/c1-2-8(6,7)4-3-5/h2-4H2,1H3",SSZGZNMFUXOAFG-UHFFFAOYSA-N,C4H9ClO2S,156.63,156.0011784,0.6,42.5,133,0,0,2,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Hexane, 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-iodo-6-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethoxy)-",25080-18-6,32783,"1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-6-iodohexane",C(C(F)(F)F)(C(F)(F)F)(OC(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(F)F)F,"InChI=1S/C9F19IO/c10-1(11,3(14,15)8(25,26)29)2(12,13)4(16,17)9(27,28)30-5(18,6(19,20)21)7(22,23)24",LFJNSTDXWXWXRL-UHFFFAOYSA-N,C9F19IO,611.97,611.86905,7.5,9.2,615,0,0,20,7,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, nitrosiminodi-",25081-31-6,32784,2-[carboxymethyl(nitroso)amino]acetic acid,C(C(=O)O)N(CC(=O)O)N=O,"InChI=1S/C4H6N2O5/c7-3(8)1-6(5-11)2-4(9)10/h1-2H2,(H,7,8)(H,9,10)",XLYVHYXTFHZCNY-UHFFFAOYSA-N,C4H6N2O5,162.1,162.0276713,-0.6,107,163,0,2,7,4,11,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Propanol, 3-nitro-",25182-84-7,32832,3-nitropropan-1-ol,C(C[N+](=O)[O-])CO,"InChI=1S/C3H7NO3/c5-3-1-2-4(6)7/h5H,1-3H2",YISPKQZWSIMXMX-UHFFFAOYSA-N,C3H7NO3,105.09,105.0425931,-0.3,66.1,57,0,1,3,2,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butane, 1,1,2,3,4,4-hexachloro-",25237-06-3,32852,"1,1,2,3,4,4-hexachlorobutane",C(C(C(Cl)Cl)Cl)(C(Cl)Cl)Cl,InChI=1S/C4H4Cl6/c5-1(3(7)8)2(6)4(9)10/h1-4H,SFLXALQSXXPXLU-UHFFFAOYSA-N,C4H4Cl6,264.8,263.841466,4.2,0,79,0,0,0,3,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, (ethylenedinitrilo)tetra-, nickel(II) complex",25481-21-4,33009,2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;nickel(2+),C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Ni+2],"InChI=1S/C10H16N2O8.Ni/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);/q;+2/p-2",HTLPAEWBUABNNS-UHFFFAOYSA-L,C10H14N2NiO8,348.92,348.010357,,161,336,0,2,10,9,21,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Carbonic acid, dithio-, S-carboxymethyl O-ethyl ester",25554-84-1,33055,2-ethoxycarbothioylsulfanylacetic acid,CCOC(=S)SCC(=O)O,"InChI=1S/C5H8O3S2/c1-2-8-5(9)10-3-4(6)7/h2-3H2,1H3,(H,6,7)",CZLONQRTHUAGMG-UHFFFAOYSA-N,C5H8O3S2,180.2,179.9914865,1.6,104,135,0,1,5,5,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Distannoxane, hexapentyl-",25637-27-8,16684179,tripentyl(tripentylstannyloxy)stannane,CCCCC[Sn](CCCCC)(CCCCC)O[Sn](CCCCC)(CCCCC)CCCCC,"InChI=1S/6C5H11.O.2Sn/c6*1-3-5-4-2;;;/h6*1,3-5H2,2H3;;;",MNFUDUQONWPBMD-UHFFFAOYSA-N,C30H66OSn2,680.3,680.31518,,9.2,310,0,0,1,26,33,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propionitrile, 3-amino-N,N-dibutyl-",25726-99-2,33155,3-(dibutylamino)propanenitrile,CCCCN(CCCC)CCC#N,"InChI=1S/C11H22N2/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-7,9-11H2,1-2H3",XNHGXTPCDNEDCH-UHFFFAOYSA-N,C11H22N2,182.31,182.1782987,2.5,27,137,0,0,2,8,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Trimethylamine, compd. with iodoborane (1:1)",25741-81-5,421435,iodo-(trimethylazaniumyl)boranuide,[BH2-]([N+](C)(C)C)I,"InChI=1S/C3H11BIN/c1-6(2,3)4-5/h4H2,1-3H3",SFHGHLCHPWEMBO-UHFFFAOYSA-N,C3H11BIN,198.84,199.00293,,0,40,0,0,1,1,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1-Propanol, 2-methyl-2-(methylsulfonyl)-",25841-38-7,213238,2-methyl-2-methylsulfonylpropan-1-ol,CC(C)(CO)S(=O)(=O)C,"InChI=1S/C5H12O3S/c1-5(2,4-6)9(3,7)8/h6H,4H2,1-3H3",VGTHOALDAXYSSP-UHFFFAOYSA-N,C5H12O3S,152.21,152.0507154,-0.5,62.8,173,0,1,3,2,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propionic acid, 2-methyl-2-(methylsulfonyl)-",25841-43-4,213240,2-methyl-2-methylsulfonylpropanoic acid,CC(C)(C(=O)O)S(=O)(=O)C,"InChI=1S/C5H10O4S/c1-5(2,4(6)7)10(3,8)9/h1-3H3,(H,6,7)",LVWJRYVSTKPXMQ-UHFFFAOYSA-N,C5H10O4S,166.2,166.02998,-0.2,79.8,231,0,1,4,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-Alanine, 3-(methylseleno)-",26046-90-2,147004,(2R)-2-amino-3-methylselanylpropanoic acid,C[Se]C[C@@H](C(=O)O)N,"InChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",XDSSPSLGNGIIHP-VKHMYHEASA-N,C4H9NO2Se,182.09,182.97985,,63.3,86,0,2,3,3,8,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Stannane, bis(isooctyloxycarbonylmethylthio)dimethyl-",26636-01-1,22833324,6-methylheptyl 2-[dimethyl-[2-(6-methylheptoxy)-2-oxoethyl]sulfanylstannyl]sulfanylacetate,CC(C)CCCCCOC(=O)CS[Sn](C)(C)SCC(=O)OCCCCCC(C)C,"InChI=1S/2C10H20O2S.2CH3.Sn/c2*1-9(2)6-4-3-5-7-12-10(11)8-13;;;/h2*9,13H,3-8H2,1-2H3;2*1H3;/q;;;;+2/p-2",IRFPIPNMASANJY-UHFFFAOYSA-L,C22H44O4S2Sn,555.4,556.170305,,103,405,0,0,6,20,29,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,1,1,0
"2-Butanol, 3-methyl-, methanesulfonate",26943-74-8,147156,3-methylbutan-2-yl methanesulfonate,CC(C)C(C)OS(=O)(=O)C,"InChI=1S/C6H14O3S/c1-5(2)6(3)9-10(4,7)8/h5-6H,1-4H3",HREPGPGLHZOQGE-UHFFFAOYSA-N,C6H14O3S,166.24,166.0663655,1.4,51.8,176,0,0,3,3,10,,,0,0,0,1,0,1,0,0,0,0,1,0,0,0,0,0,1,0,0,1
"1,6-Hexanediamine, N,N,N',N'-tetrabutyl-",27090-63-7,94377,"N,N,N',N'-tetrabutylhexane-1,6-diamine",CCCCN(CCCC)CCCCCCN(CCCC)CCCC,"InChI=1S/C22H48N2/c1-5-9-17-23(18-10-6-2)21-15-13-14-16-22-24(19-11-7-3)20-12-8-4/h5-22H2,1-4H3",UPPIBFVZIFKMFO-UHFFFAOYSA-N,C22H48N2,340.6,340.3817495,6.7,6.5,190,0,0,2,19,24,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,1,0,0
"Arsenious acid, calcium salt",27152-57-4,33719,tricalcium diarsorite,[O-][As]([O-])[O-].[O-][As]([O-])[O-].[Ca+2].[Ca+2].[Ca+2],InChI=1S/2AsO3.3Ca/c2*2-1(3)4;;;/q2*-3;3*+2,MHUYNKTVRSCHBE-UHFFFAOYSA-N,As2Ca3O6,366.07,365.70045,,138,8,0,0,6,0,11,,,0,0,0,1,0,1,0,1,0,0,1,0,0,1,0,0,1,0,1,1
"2-Butanone, 3-ethoxy-1,1-dihydroxy-",27762-78-3,34006,"3-ethoxy-1,1-dihydroxybutan-2-one",CCOC(C)C(=O)C(O)O,"InChI=1S/C6H12O4/c1-3-10-4(2)5(7)6(8)9/h4,6,8-9H,3H2,1-2H3",YRCRRHNVYVFNTM-UHFFFAOYSA-N,C6H12O4,148.16,148.0735589,-0.6,66.8,110,0,2,4,4,10,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Triethylamine, 2,2'-dichloro-2''-methoxy-, hydrochloride",27807-62-1,119718,"N,N-bis(2-chloroethyl)-2-methoxyethanamine;hydrochloride",COCCN(CCCl)CCCl.Cl,"InChI=1S/C7H15Cl2NO.ClH/c1-11-7-6-10(4-2-8)5-3-9;/h2-7H2,1H3;1H",GQXKDGBUUPMWIY-UHFFFAOYSA-N,C7H16Cl3NO,236.6,235.029747,,12.5,76,0,1,2,7,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Nonanoic acid, 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-",27854-30-4,2776244,"4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononanoic acid",C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O,"InChI=1S/C9H5F13O2/c10-4(11,2-1-3(23)24)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-2H2,(H,23,24)",AAEJJSZYNKXKSW-UHFFFAOYSA-N,C9H5F13O2,392.11,392.0081955,4.5,37.3,478,0,1,15,7,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-, (2E,4E,6E,8E,10E,12E,14E)-",27876-94-4,5281232,"(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid",C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O)/C)/C)/C=C/C=C(/C(=O)O)\C,"InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+",PANKHBYNKQNAHN-MQQNZMFNSA-N,C20H24O4,328.4,328.1674592,5.4,74.6,608,0,2,4,8,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Ammonium, hexamethylenebis(dimethyldodecyl-, diiodide",27916-23-0,34061,dodecyl-[6-[dodecyl(dimethyl)azaniumyl]hexyl]-dimethylazanium diiodide,CCCCCCCCCCCC[N+](C)(C)CCCCCC[N+](C)(C)CCCCCCCCCCCC.[I-].[I-],"InChI=1S/C34H74N2.2HI/c1-7-9-11-13-15-17-19-21-23-27-31-35(3,4)33-29-25-26-30-34-36(5,6)32-28-24-22-20-18-16-14-12-10-8-2;;/h7-34H2,1-6H3;2*1H/q+2;;/p-2",UEXRNIUHKWUZFJ-UHFFFAOYSA-L,C34H74I2N2,764.8,764.39415,,0,389,0,0,2,29,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethane, 1-chloro-2-(ethylsulfinyl)-",27998-62-5,214273,1-chloro-2-ethylsulfinylethane,CCS(=O)CCCl,"InChI=1S/C4H9ClOS/c1-2-7(6)4-3-5/h2-4H2,1H3",LIPRCTSGLFLUNJ-UHFFFAOYSA-N,C4H9ClOS,140.63,140.0062638,0.2,36.3,64,0,0,2,3,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
tert-Heptyl alcohol,28929-86-4,12240,2-methylhexan-2-ol,CCCCC(C)(C)O,"InChI=1S/C7H16O/c1-4-5-6-7(2,3)8/h8H,4-6H2,1-3H3",KRIMXCDMVRMCTC-UHFFFAOYSA-N,C7H16O,116.2,116.1201151,2,20.2,57,0,1,1,3,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Acetaldehyde, butoxy-",29043-89-8,114858,2-butoxyacetaldehyde,CCCCOCC=O,"InChI=1S/C6H12O2/c1-2-3-5-8-6-4-7/h4H,2-3,5-6H2,1H3",RPLPGIHCAYAYKX-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,0.9,26.3,52,0,0,2,5,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Thiosulfuric acid, S,S'-(2-(dimethylamino)trimethylene)ester, monosodium salt",29547-00-0,23666830,sodium 2-(dimethylamino)-1-sulfonatosulfanyl-3-sulfosulfanylpropane,CN(C)C(CSS(=O)(=O)O)CSS(=O)(=O)[O-].[Na+],"InChI=1S/C5H13NO6S4.Na/c1-6(2)5(3-13-15(7,8)9)4-14-16(10,11)12;/h5H,3-4H2,1-2H3,(H,7,8,9)(H,10,11,12);/q;+1/p-1",MBNMHBAJUNHZRE-UHFFFAOYSA-M,C5H12NNaO6S4,333.4,332.9445161,,182,395,0,1,9,7,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propen-1-ol, 3-chloro-",29560-84-7,91594,3-chloroprop-2-en-1-ol,C(C=CCl)O,"InChI=1S/C3H5ClO/c4-2-1-3-5/h1-2,5H,3H2",HJGHXDNIPAWLLE-UHFFFAOYSA-N,C3H5ClO,92.52,92.0028925,0.5,20.2,33,0,1,1,1,5,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-Butanone, 1,1-dibromo-3,3-dimethyl-",30263-65-1,34866,"1,1-dibromo-3,3-dimethylbutan-2-one",CC(C)(C)C(=O)C(Br)Br,"InChI=1S/C6H10Br2O/c1-6(2,3)4(9)5(7)8/h5H,1-3H3",WIPDATICDHNWKG-UHFFFAOYSA-N,C6H10Br2O,257.95,257.90779,3,17.1,113,0,0,1,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-",30334-69-1,10958205,"1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide",C(C(C(F)(F)S(=O)(=O)N)(F)F)(C(F)(F)F)(F)F,"InChI=1S/C4H2F9NO2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H2,14,15,16)",FUVKFLJWBHVMHX-UHFFFAOYSA-N,C4H2F9NO2S,299.12,298.9662529,2.2,68.5,390,0,1,12,3,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Butene, 2,3-bis(bromomethyl)-1,4-dibromo-",30432-16-7,35343,"1,4-dibromo-2,3-bis(bromomethyl)but-2-ene",C(C(=C(CBr)CBr)CBr)Br,InChI=1S/C6H8Br4/c7-1-5(2-8)6(3-9)4-10/h1-4H2,GJZKNORRVIUCCH-UHFFFAOYSA-N,C6H8Br4,399.74,399.73185,3.7,0,92,0,0,0,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,3-Propanetricarboxylic acid, 2-hydroxy-, aluminum salt",31142-56-0,91599,"aluminum 2-hydroxypropane-1,2,3-tricarboxylate",C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Al+3],"InChI=1S/C6H8O7.Al/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3",ZUGAOYSWHHGDJY-UHFFFAOYSA-K,C6H5AlO7,216.08,215.9850659,,141,211,0,1,7,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,0
"Ethane, 1,1-diethoxy-2,2,2-trifluoro-",31224-45-0,207952,"2,2-diethoxy-1,1,1-trifluoroethane",CCOC(C(F)(F)F)OCC,"InChI=1S/C6H11F3O2/c1-3-10-5(11-4-2)6(7,8)9/h5H,3-4H2,1-2H3",MZCNVEUWTDUFAP-UHFFFAOYSA-N,C6H11F3O2,172.15,172.0711141,1.9,18.5,96,0,0,5,4,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Propylamine, N,2,2-trimethyl-N-nitroso-",31820-22-1,91603,"N-(2,2-dimethylpropyl)-N-methylnitrous amide",CC(C)(C)CN(C)N=O,"InChI=1S/C6H14N2O/c1-6(2,3)5-8(4)7-9/h5H2,1-4H3",XEAQPCFJFQRDDZ-UHFFFAOYSA-N,C6H14N2O,130.19,130.1106131,1.9,32.7,95,0,0,3,2,9,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Butanoic acid, 3-methyl-2-(1-methylethyl)-",32118-53-9,96832,3-methyl-2-propan-2-ylbutanoic acid,CC(C)C(C(C)C)C(=O)O,"InChI=1S/C8H16O2/c1-5(2)7(6(3)4)8(9)10/h5-7H,1-4H3,(H,9,10)",GSZKHLKKYPBXKM-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,2.4,37.3,108,0,1,2,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Valeraldehyde, 2,3-dimethyl-",32749-94-3,61917,"2,3-dimethylpentanal",CCC(C)C(C)C=O,"InChI=1S/C7H14O/c1-4-6(2)7(3)5-8/h5-7H,4H2,1-3H3",BOHKXQAJUVXBDQ-UHFFFAOYSA-N,C7H14O,114.19,114.1044651,2.1,17.1,68,0,0,1,3,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0
"Acetic acid, cyano-, 2-ethoxyethyl ester",32804-77-6,122967,2-ethoxyethyl 2-cyanoacetate,CCOCCOC(=O)CC#N,"InChI=1S/C7H11NO3/c1-2-10-5-6-11-7(9)3-4-8/h2-3,5-6H2,1H3",UMCLCZMPTREESK-UHFFFAOYSA-N,C7H11NO3,157.17,157.0738932,0.2,59.3,158,0,0,4,6,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,2-Propanediol, 3-fluoro-, L-",32860-39-2,208702,"(2R)-3-fluoropropane-1,2-diol",C([C@H](CF)O)O,"InChI=1S/C3H7FO2/c4-1-3(6)2-5/h3,5-6H,1-2H2/t3-/m0/s1",PQDNJBQKAXAXBQ-VKHMYHEASA-N,C3H7FO2,94.08,94.04300762,-0.7,40.5,32,0,2,3,2,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-Propanediol, 3-fluoro-, D-",33644-25-6,214676,"(2S)-3-fluoropropane-1,2-diol",C([C@@H](CF)O)O,"InChI=1S/C3H7FO2/c4-1-3(6)2-5/h3,5-6H,1-2H2/t3-/m1/s1",PQDNJBQKAXAXBQ-GSVOUGTGSA-N,C3H7FO2,94.08,94.04300762,-0.7,40.5,32,0,2,3,2,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetonitrile, methylamino-, sulfate",33986-15-1,44721378,2-(methylamino)acetonitrile;sulfuric acid,CNCC#N.OS(=O)(=O)O,"InChI=1S/C3H6N2.H2O4S/c1-5-3-2-4;1-5(2,3)4/h5H,3H2,1H3;(H2,1,2,3,4)",SEBZVAFMXLJJNO-UHFFFAOYSA-N,C3H8N2O4S,168.17,168.0204779,,119,130,0,3,6,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Propanol, 3-(dipropylamino)-",34003-67-3,214730,3-(dipropylamino)propan-1-ol,CCCN(CCC)CCCO,"InChI=1S/C9H21NO/c1-3-6-10(7-4-2)8-5-9-11/h11H,3-9H2,1-2H3",HVQPWDRWEZEOCN-UHFFFAOYSA-N,C9H21NO,159.27,159.1623143,1.7,23.5,70,0,1,2,7,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
Iron sodium gluconate,34089-81-1,23693558,"sodium;iron(3+);(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate",C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Na+].[Fe+3],"InChI=1S/C6H12O7.Fe.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2-5,7-11H,1H2,(H,12,13);;/q;+3;+1/p-1/t2-,3-,4+,5-;;/m1../s1",PKNUOQOQWGOWBO-ZBHRUSISSA-M,C6H11FeNaO7+3,273.98,273.975183,,141,176,3,5,7,5,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Trisulfide, methyl 2-propenyl",34135-85-8,61926,3-(methyltrisulfanyl)prop-1-ene,CSSSCC=C,"InChI=1S/C4H8S3/c1-3-4-6-7-5-2/h3H,1,4H2,2H3",JGMPRNFEEAJLAJ-UHFFFAOYSA-N,C4H8S3,152.3,151.9788138,2,75.9,44,0,0,3,4,7,,47.00 °C. @ 0.80 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"Acetamide, N-(4-((3-aminopropyl)amino)butyl)-, dihydrochloride",34450-15-2,214847,N-[4-(3-aminopropylamino)butyl]acetamide;dihydrochloride,CC(=O)NCCCCNCCCN.Cl.Cl,"InChI=1S/C9H21N3O.2ClH/c1-9(13)12-8-3-2-6-11-7-4-5-10;;/h11H,2-8,10H2,1H3,(H,12,13);2*1H",BWGUIRARVGYOIR-UHFFFAOYSA-N,C9H23Cl2N3O,260.2,259.1218178,,67.2,128,0,5,3,8,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butyronitrile, 2-ethyl-2-hydroxy-",34451-66-6,36832,2-ethyl-2-hydroxybutanenitrile,CCC(CC)(C#N)O,"InChI=1S/C6H11NO/c1-3-6(8,4-2)5-7/h8H,3-4H2,1-2H3",QWJRZIUNOYNJIQ-UHFFFAOYSA-N,C6H11NO,113.16,113.084064,1,44,107,0,1,2,2,8,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Hydrazine, ethyl-, sulfate",34638-34-1,36869,ethylaminoazanium;hydrogen sulfate,CCN[NH3+].OS(=O)(=O)[O-],"InChI=1S/C2H8N2.H2O4S/c1-2-4-3;1-5(2,3)4/h4H,2-3H2,1H3;(H2,1,2,3,4)",RVSOJOWYIDLNCV-UHFFFAOYSA-N,C2H10N2O4S,158.18,158.036128,,125,84,0,3,5,1,9,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-Butanone, 3-(methylthio)-, O-(N-methylcarbamoyl)oxime",34681-10-2,36879,(3-methylsulfanylbutan-2-ylideneamino) N-methylcarbamate,CC(C(=NOC(=O)NC)C)SC,"InChI=1S/C7H14N2O2S/c1-5(6(2)12-4)9-11-7(10)8-3/h6H,1-4H3,(H,8,10)",SFNPDDSJBGRXLW-UHFFFAOYSA-N,C7H14N2O2S,190.27,190.0775989,1.2,76,182,0,1,4,4,12,,,1,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0
"2-Butanone, 3-methylsulfonyl-, O-(N-methylcarbamoyl)oxime",34681-23-7,61938,(3-methylsulfonylbutan-2-ylideneamino) N-methylcarbamate,CC(C(=NOC(=O)NC)C)S(=O)(=O)C,"InChI=1S/C7H14N2O4S/c1-5(6(2)14(4,11)12)9-13-7(10)8-3/h6H,1-4H3,(H,8,10)",CTJBHIROCMPUKL-UHFFFAOYSA-N,C7H14N2O4S,222.26,222.0674281,-0.1,93.2,328,0,1,5,4,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propanol, 1-amino-3-chloro-, hydrochloride, (+)-",34839-14-0,87178124,(2R)-1-amino-3-chloropropan-2-ol;hydrochloride,C([C@H](CCl)O)N.Cl,"InChI=1S/C3H8ClNO.ClH/c4-1-3(6)2-5;/h3,6H,1-2,5H2;1H/t3-;/m0./s1",ZCPJBHYNOFIAPJ-DFWYDOINSA-N,C3H9Cl2NO,146.01,145.0061193,,46.3,34,0,3,2,2,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Valeric acid, 2-(diethylphosphono)-, ethyl ester",35051-49-1,98244,ethyl 2-diethoxyphosphorylpentanoate,CCCC(C(=O)OCC)P(=O)(OCC)OCC,"InChI=1S/C11H23O5P/c1-5-9-10(11(12)14-6-2)17(13,15-7-3)16-8-4/h10H,5-9H2,1-4H3",BUPVIVDUPRDDFI-UHFFFAOYSA-N,C11H23O5P,266.27,266.1283108,1.8,61.8,257,0,0,5,10,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Guanidine, 1-hexyl-3-nitro-1-nitroso-",35089-70-4,37045,1-hexyl-2-nitro-1-nitrosoguanidine,CCCCCCN(C(=N[N+](=O)[O-])N)N=O,"InChI=1S/C7H15N5O3/c1-2-3-4-5-6-11(10-13)7(8)9-12(14)15/h2-6H2,1H3,(H2,8,9)",OKEOKSSXTJTRSL-UHFFFAOYSA-N,C7H15N5O3,217.23,217.1174894,2.2,117,237,0,1,5,6,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, oxydi-, disodium salt",35249-69-5,37092,disodium;2-(carboxylatomethoxy)acetate,C(C(=O)[O-])OCC(=O)[O-].[Na+].[Na+],"InChI=1S/C4H6O5.2Na/c5-3(6)1-9-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;/q;2*+1/p-2",IILQHMMTOSAJAR-UHFFFAOYSA-L,C4H4Na2O5,178.05,177.9854118,,89.5,93,0,0,5,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Guanidine, 2-nitro-1-nitroso-1-octyl-",35799-08-7,37265,2-nitro-1-nitroso-1-octylguanidine,CCCCCCCCN(C(=N[N+](=O)[O-])N)N=O,"InChI=1S/C9H19N5O3/c1-2-3-4-5-6-7-8-13(12-15)9(10)11-14(16)17/h2-8H2,1H3,(H2,10,11)",AOZCQGYQFGAKBG-UHFFFAOYSA-N,C9H19N5O3,245.28,245.1487895,3.3,117,264,0,1,5,8,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Guanidine, 1-isopentyl-2-nitro-1-nitroso-",35878-48-9,37296,1-(3-methylbutyl)-2-nitro-1-nitrosoguanidine,CC(C)CCN(C(=N[N+](=O)[O-])N)N=O,"InChI=1S/C6H13N5O3/c1-5(2)3-4-10(9-12)6(7)8-11(13)14/h5H,3-4H2,1-2H3,(H2,7,8)",WYFTYNAZEMXYFM-UHFFFAOYSA-N,C6H13N5O3,203.2,203.1018393,1.5,117,234,0,1,5,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"6-Eicosenoic acid, 2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxo-, (2S-(2R*,3S*,4S*,6E))-",35891-70-4,6438394,"(E,2S,3R,4R)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid",CCCCCCC(=O)CCCCCC/C=C/C[C@H]([C@@H]([C@@](CO)(C(=O)O)N)O)O,"InChI=1S/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19+,21+/m1/s1",ZZIKIHCNFWXKDY-GNTQXERDSA-N,C21H39NO6,401.5,401.277738,-0.1,141,468,0,5,7,18,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanamine, 2-(decylthio)-, hydrochloride",36362-09-1,151162,2-decylsulfanylethanamine;hydrochloride,CCCCCCCCCCSCCN.Cl,"InChI=1S/C12H27NS.ClH/c1-2-3-4-5-6-7-8-9-11-14-12-10-13;/h2-13H2,1H3;1H",CMOVAZNLWXAJIL-UHFFFAOYSA-N,C12H28ClNS,253.88,253.1630988,,51.3,96,0,2,2,11,15,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"Lutetium(III) nitrate, hexahydrate (1:3:6)",36549-50-5,37480,lutetium(3+);trinitrate;hexahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[Lu+3],InChI=1S/Lu.3NO3.6H2O/c;3*2-1(3)4;;;;;;/h;;;;6*1H2/q+3;3*-1;;;;;;,OHGDHCSVOXRLSU-UHFFFAOYSA-N,H12LuN3O15,469.07,468.96762,,195,18,0,6,15,0,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-Alanine, 3-((2-hydroxyethyl)dithio)-",38254-63-6,170018,(2R)-2-amino-3-(2-hydroxyethyldisulfanyl)propanoic acid,C(CSSC[C@@H](C(=O)O)N)O,"InChI=1S/C5H11NO3S2/c6-4(5(8)9)3-11-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1",YPUBRSXDQSFQBA-BYPYZUCNSA-N,C5H11NO3S2,197.3,197.0180356,-3.4,134,122,0,3,6,6,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Sulfuric acid, di(butylamine) salt",39085-66-0,217637,bis(butan-1-amine);sulfuric acid,CCCCN.CCCCN.OS(=O)(=O)O,"InChI=1S/2C4H11N.H2O4S/c2*1-2-3-4-5;1-5(2,3)4/h2*2-5H2,1H3;(H2,1,2,3,4)",KCFKHWSNVPJBEP-UHFFFAOYSA-N,C8H24N2O4S,244.36,244.1456784,,135,94,0,4,6,4,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Decanesulfonic acid, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-",39108-34-4,3016044,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonic acid",C(CS(=O)(=O)O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C10H5F17O3S/c11-3(12,1-2-31(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2,(H,28,29,30)",ALVYVCQIFHTIRD-UHFFFAOYSA-N,C10H5F17O3S,528.18,527.9687939,5.3,62.8,760,0,1,20,9,31,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0
"2-Butanone, 3,3-dimethyl-1-(methylsulfinyl)-, O-((methylamino)carbonyl)oxime",39184-27-5,5491759,"[(Z)-(3,3-dimethyl-1-methylsulfinylbutan-2-ylidene)amino] N-methylcarbamate",CC(C)(C)/C(=N/OC(=O)NC)/CS(=O)C,"InChI=1S/C9H18N2O3S/c1-9(2,3)7(6-15(5)13)11-14-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7+",NLMRMVVMKCKWFL-YRNVUSSQSA-N,C9H18N2O3S,234.32,234.1038136,0.8,87,282,0,1,5,5,15,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Butanone, 3,3-dimethyl-1-(methylsulfonyl)-, O-((methylamino)carbonyl)oxime",39184-59-3,5491760,"[(Z)-(3,3-dimethyl-1-methylsulfonylbutan-2-ylidene)amino] N-methylcarbamate",CC(C)(C)/C(=N/OC(=O)NC)/CS(=O)(=O)C,"InChI=1S/C9H18N2O4S/c1-9(2,3)7(6-16(5,13)14)11-15-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7+",PZOIECHFNQBYRT-YRNVUSSQSA-N,C9H18N2O4S,250.32,250.0987282,0.9,93.2,373,0,1,5,5,16,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphonic acid, (1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-",40143-76-8,15930820,"1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylphosphonic acid",C(C(C(C(F)(F)P(=O)(O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,"InChI=1S/C6H2F13O3P/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H2,20,21,22)",AGCUFKNHQDVTAD-UHFFFAOYSA-N,C6H2F13O3P,400.03,399.953397,3,57.5,502,0,2,16,5,23,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphonic acid, (3-amino-1-hydroxypropylidene)bis-",40391-99-9,4674,(3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid,C(CN)C(O)(P(=O)(O)O)P(=O)(O)O,"InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)",WRUUGTRCQOWXEG-UHFFFAOYSA-N,C3H11NO7P2,235.07,235.0010757,-6.9,161,243,0,6,8,4,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hydrazine, butyl-, ethanedioate",40711-41-9,162021,butylhydrazine;oxalic acid,CCCCNN.C(=O)(C(=O)O)O,"InChI=1S/C4H12N2.C2H2O4/c1-2-3-4-6-5;3-1(4)2(5)6/h6H,2-5H2,1H3;(H,3,4)(H,5,6)",WXOBLSRQYOWIBF-UHFFFAOYSA-N,C6H14N2O4,178.19,178.0953569,,113,93,0,4,6,4,12,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ammonium, (2-(2-hydroxyethoxy)ethyl)trimethyl-, iodide",41830-55-1,162490,2-(2-hydroxyethoxy)ethyl-trimethylazanium iodide,C[N+](C)(C)CCOCCO.[I-],"InChI=1S/C7H18NO2.HI/c1-8(2,3)4-6-10-7-5-9;/h9H,4-7H2,1-3H3;1H/q+1;/p-1",OHIFSOQCEPPUNY-UHFFFAOYSA-M,C7H18INO2,275.13,275.03823,,29.5,78,0,1,3,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-Hexanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-",41997-13-1,11603678,"1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide",C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,"InChI=1S/C6H2F13NO2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H2,20,21,22)",WDZLGCSJJWEQJO-UHFFFAOYSA-N,C6H2F13NO2S,399.13,398.9598656,3.5,68.5,556,0,1,16,5,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-Dodecadienoic acid, 3,7,11-trimethyl-, 2-propynyl ester, (E,E)-",42588-37-4,6434236,"prop-2-ynyl (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate",CC(C)CCCC(C)C/C=C/C(=C/C(=O)OCC#C)/C,"InChI=1S/C18H28O2/c1-6-13-20-18(19)14-17(5)12-8-11-16(4)10-7-9-15(2)3/h1,8,12,14-16H,7,9-11,13H2,2-5H3/b12-8+,17-14+",FZRBKIRIBLNOAM-WHVZTFIZSA-N,C18H28O2,276.4,276.2089301,6,26.3,379,0,0,2,10,20,,,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,4-Butanediol, monomethanesulfonate",42729-95-3,39244,4-hydroxybutyl methanesulfonate,CS(=O)(=O)OCCCCO,"InChI=1S/C5H12O4S/c1-10(7,8)9-5-3-2-4-6/h6H,2-5H2,1H3",GGASLDTWAZHIGF-UHFFFAOYSA-N,C5H12O4S,168.21,168.04563,-0.6,72,155,0,1,4,5,10,,,0,1,1,1,0,1,0,1,0,0,1,0,0,1,0,0,1,0,0,1
"Propionitrile, dithiodi-",42841-31-6,206101,3-(2-cyanoethyldisulfanyl)propanenitrile,C(CSSCCC#N)C#N,"InChI=1S/C6H8N2S2/c7-3-1-5-9-10-6-2-4-8/h1-2,5-6H2",HHEYGEJOMQFDFN-UHFFFAOYSA-N,C6H8N2S2,172.3,172.0128906,0.3,98.2,141,0,0,4,5,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, N-heptyl-",42955-46-4,39357,heptylurea,CCCCCCCNC(=O)N,"InChI=1S/C8H18N2O/c1-2-3-4-5-6-7-10-8(9)11/h2-7H2,1H3,(H3,9,10,11)",LDNJCDRFTFLQLF-UHFFFAOYSA-N,C8H18N2O,158.24,158.1419132,2,55.1,104,0,2,1,6,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphonic acid, (1-hydroxyethylidene)bis-, copper(2+) salt (1:1)",50376-91-5,65296,copper hydroxy-[1-hydroxy-1-[hydroxy(oxido)phosphoryl]ethyl]phosphinate,CC(O)(P(=O)(O)[O-])P(=O)(O)[O-].[Cu+2],"InChI=1S/C2H8O7P2.Cu/c1-2(3,10(4,5)6)11(7,8)9;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);/q;+2/p-2",CAJHBQKOVDDMNU-UHFFFAOYSA-L,C2H6CuO7P2,267.56,266.888474,,141,206,0,3,7,2,12,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Methanesulfonic acid, 1-methylpropyl ester, (S)-",50599-13-8,149298,[(2S)-butan-2-yl] methanesulfonate,CC[C@H](C)OS(=O)(=O)C,"InChI=1S/C5H12O3S/c1-4-5(2)8-9(3,6)7/h5H,4H2,1-3H3/t5-/m0/s1",BQWQGEBNCNNFCI-YFKPBYRVSA-N,C5H12O3S,152.21,152.0507154,1,51.8,154,0,0,3,3,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiopyrophosphoric acid, tetramethyl ester",51120-35-5,102579137,dimethoxyphosphinothioyloxy-dimethoxy-sulfanylidene-lambda5-phosphane,COP(=S)(OC)OP(=S)(OC)OC,"InChI=1S/C4H12O5P2S2/c1-5-10(12,6-2)9-11(13,7-3)8-4/h1-4H3",XKBNJDRCYDBEAH-UHFFFAOYSA-N,C4H12O5P2S2,266.2,265.9601398,2.4,110,205,0,0,7,6,13,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"L-Ornithine, N(sup 5)-(imino(nitroamino)methyl)-, methyl ester, hydrochloride",51298-62-5,135193,methyl (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoate;hydrochloride,COC(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])N.Cl,"InChI=1S/C7H15N5O4.ClH/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15;/h5H,2-4,8H2,1H3,(H3,9,10,11);1H/t5-;/m0./s1",QBNXAGZYLSRPJK-JEDNCBNOSA-N,C7H16ClN5O4,269.69,269.0890817,,149,274,0,4,6,7,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Tetradecenal, (2E)-",51534-36-2,5283366,(E)-tetradec-2-enal,CCCCCCCCCCC/C=C/C=O,"InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h12-14H,2-11H2,1H3/b13-12+",WHOZNOZYMBRCBL-OUKQBFOZSA-N,C14H26O,210.36,210.1983654,5.9,17.1,149,0,0,1,11,15,,299.00 to 300.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Glycine, N-(aminothioxomethyl)-",51675-47-9,3040094,2-(carbamothioylamino)acetic acid,C(C(=O)O)NC(=S)N,"InChI=1S/C3H6N2O2S/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8)",KIESEUTUOQOHLE-UHFFFAOYSA-N,C3H6N2O2S,134.16,134.0149986,-0.8,107,114,0,3,3,2,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Thiosulfuric acid, S,S'-(2-(dimethylamino)-1,3-propanediyl) ester, disodium salt",52207-48-4,162117,"disodium;2-(dimethylamino)-1,3-bis(sulfonatosulfanyl)propane",CN(C)C(CSS(=O)(=O)[O-])CSS(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C5H13NO6S4.2Na/c1-6(2)5(3-13-15(7,8)9)4-14-16(10,11)12;;/h5H,3-4H2,1-2H3,(H,7,8,9)(H,10,11,12);;/q;2*+1/p-2",QSOHVSNIQHGFJU-UHFFFAOYSA-L,C5H11NNa2O6S4,355.4,354.9264603,,185,327,0,0,9,5,18,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hydrazine, allyl-, monohydrochloride",52207-83-7,171127,prop-2-enylhydrazine;hydrochloride,C=CCNN.Cl,"InChI=1S/C3H8N2.ClH/c1-2-3-5-4;/h2,5H,1,3-4H2;1H",PWGPATVPEGLIAN-UHFFFAOYSA-N,C3H9ClN2,108.57,108.045426,,38.1,26,0,3,2,2,6,,,0,0,0,0,0,1,0,0,0,0,1,0,0,1,0,0,1,0,0,0
"1-Propylamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride",52801-93-1,3040665,2-chloro-N-(2-chloroethyl)propan-1-amine;hydrochloride,CC(CNCCCl)Cl.Cl,"InChI=1S/C5H11Cl2N.ClH/c1-5(7)4-8-3-2-6;/h5,8H,2-4H2,1H3;1H",RBUMFOHMOVLYLD-UHFFFAOYSA-N,C5H12Cl3N,192.5,191.003532,,12,49,0,2,1,4,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propanoic acid, 2-ethoxy-",53103-75-6,15268841,2-ethoxypropanoic acid,CCOC(C)C(=O)O,"InChI=1S/C5H10O3/c1-3-8-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)",XBHQOMRKOUANQQ-UHFFFAOYSA-N,C5H10O3,118.13,118.0629942,0.4,46.5,79,0,1,3,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-Propanol, 1-methoxy-3-(1-methylethoxy)-",53146-34-2,231388,1-methoxy-3-propan-2-yloxypropan-2-ol,CC(C)OCC(COC)O,"InChI=1S/C7H16O3/c1-6(2)10-5-7(8)4-9-3/h6-8H,4-5H2,1-3H3",OSPAIDSTZHWQPG-UHFFFAOYSA-N,C7H16O3,148.2,148.1099444,0.1,38.7,73,0,1,3,5,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Crotonaldehyde, 2-chloro-",53175-28-3,5355510,(Z)-2-chlorobut-2-enal,C/C=C(/C=O)\Cl,"InChI=1S/C4H5ClO/c1-2-4(5)3-6/h2-3H,1H3/b4-2-",GMUIHGWBQIUCST-RQOWECAXSA-N,C4H5ClO,104.53,104.0028925,1.4,17.1,75,0,0,1,1,6,,,1,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Propylamine, 1,2,2-trimethyl-, hydrochloride",53561-77-6,3041170,"3,3-dimethylbutan-2-amine;hydrochloride",CC(C(C)(C)C)N.Cl,"InChI=1S/C6H15N.ClH/c1-5(7)6(2,3)4;/h5H,7H2,1-4H3;1H",DDRXUCIAWFPHKZ-UHFFFAOYSA-N,C6H16ClN,137.65,137.0971272,,26,51,0,2,1,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Dipropylamine, 2,2'-dihydroxy-N-nitroso-",53609-64-6,40828,"N,N-bis(2-hydroxypropyl)nitrous amide",CC(CN(CC(C)O)N=O)O,"InChI=1S/C6H14N2O3/c1-5(9)3-8(7-11)4-6(2)10/h5-6,9-10H,3-4H2,1-2H3",MNIGYIKCFSPQRJ-UHFFFAOYSA-N,C6H14N2O3,162.19,162.1004423,-0.3,73.1,110,0,2,5,4,11,,,0,1,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Undecanoic acid, 11-(chlorodimethylsilyl)-, methyl ester",53749-38-5,2757369,methyl 11-[chloro(dimethyl)silyl]undecanoate,COC(=O)CCCCCCCCCC[Si](C)(C)Cl,"InChI=1S/C14H29ClO2Si/c1-17-14(16)12-10-8-6-4-5-7-9-11-13-18(2,3)15/h4-13H2,1-3H3",ZTVPSFFFPDOOLA-UHFFFAOYSA-N,C14H29ClO2Si,292.91,292.1625344,,26.3,220,0,0,2,12,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"Dibutylamine, compd. with hexafluorophosphate",53770-27-7,40892,N-butylbutan-1-amine hexafluorophosphate,CCCCNCCCC.F[P-](F)(F)(F)(F)F,"InChI=1S/C8H19N.F6P/c1-3-5-7-9-8-6-4-2;1-7(2,3,4,5)6/h9H,3-8H2,1-2H3;/q;-1",UFTCLBFPWIBWFD-UHFFFAOYSA-N,C8H19F6NP-,274.21,274.1159306,,12,101,-1,1,8,6,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, aminooxy-, hydrochloride",54488-65-2,21118417,2-aminooxyacetamide;hydrochloride,C(C(=O)N)ON.Cl,"InChI=1S/C2H6N2O2.ClH/c3-2(5)1-6-4;/h1,4H2,(H2,3,5);1H",BIUQVFWWPLIJJU-UHFFFAOYSA-N,C2H7ClN2O2,126.54,126.0196052,,78.3,53,0,3,3,2,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphorothioic acid, O,O-diethyl O-(1,2,2,2-tetrachloroethyl) ester",54593-83-8,91655,"diethoxy-sulfanylidene-(1,2,2,2-tetrachloroethoxy)-lambda5-phosphane",CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl,"InChI=1S/C6H11Cl4O3PS/c1-3-11-14(15,12-4-2)13-5(7)6(8,9)10/h5H,3-4H2,1-2H3",XFDJMIHUAHSGKG-UHFFFAOYSA-N,C6H11Cl4O3PS,336,335.889113,4.6,59.8,225,0,0,4,6,15,>230 Â °C,80 °C @ 0.05 mm Hg,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-Butanol, 4-(ethylnitrosoamino)-",54897-62-0,41223,N-ethyl-N-(4-hydroxybutyl)nitrous amide,CCN(CCCCO)N=O,"InChI=1S/C6H14N2O2/c1-2-8(7-10)5-3-4-6-9/h9H,2-6H2,1H3",SAWPRHGGVOPPSR-UHFFFAOYSA-N,C6H14N2O2,146.19,146.1055277,0.6,52.9,87,0,1,4,5,10,,,0,1,1,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Butyric acid, 4-(ethylnitrosoamino)-",54897-63-1,41224,4-[ethyl(nitroso)amino]butanoic acid,CCN(CCCC(=O)O)N=O,"InChI=1S/C6H12N2O3/c1-2-8(7-11)5-3-4-6(9)10/h2-5H2,1H3,(H,9,10)",KQCXYYVZPUYXDQ-UHFFFAOYSA-N,C6H12N2O3,160.17,160.0847923,0.4,70,138,0,1,5,5,11,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"D-Glucose, 6-amino-6-deoxy-, hydrochloride",55324-97-5,198338,"(2R,3S,4R,5R)-6-amino-2,3,4,5-tetrahydroxyhexanal;hydrochloride",C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)N.Cl,"InChI=1S/C6H13NO5.ClH/c7-1-3(9)5(11)6(12)4(10)2-8;/h2-6,9-12H,1,7H2;1H/t3-,4+,5-,6-;/m1./s1",QWHLASPBRRZDEV-VFQQELCFSA-N,C6H14ClNO5,215.63,215.0560502,,124,142,0,6,6,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propanone, 1-(methylnitrosoamino)-",55984-51-5,104910,N-methyl-N-(2-oxopropyl)nitrous amide,CC(=O)CN(C)N=O,"InChI=1S/C4H8N2O2/c1-4(7)3-6(2)5-8/h3H2,1-2H3",CWULQTRBZMJZEG-UHFFFAOYSA-N,C4H8N2O2,116.12,116.0585775,-0.1,49.7,102,0,0,4,2,8,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Heptanamine, 4-propyl-, hydrochloride",56065-37-3,12383895,4-propylheptan-4-amine;hydrochloride,CCCC(CCC)(CCC)N.Cl,"InChI=1S/C10H23N.ClH/c1-4-7-10(11,8-5-2)9-6-3;/h4-9,11H2,1-3H3;1H",ZDHVFXADPHSDRI-UHFFFAOYSA-N,C10H24ClN,193.76,193.1597275,,26,71,0,2,1,6,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pentanamine, 3-ethyl-, hydrochloride",56065-46-4,3043701,3-ethylpentan-3-amine;hydrochloride,CCC(CC)(CC)N.Cl,"InChI=1S/C7H17N.ClH/c1-4-7(8,5-2)6-3;/h4-6,8H2,1-3H3;1H",ZCIKRRUYIBTLOB-UHFFFAOYSA-N,C7H18ClN,151.68,151.1127773,,26,47,0,2,1,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Denon 331P,56996-48-6,104214,2-[2-hydroxyethyl(octadecyl)amino]ethyl octadecanoate,CCCCCCCCCCCCCCCCCCN(CCO)CCOC(=O)CCCCCCCCCCCCCCCCC,"InChI=1S/C40H81NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(36-38-42)37-39-44-40(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42H,3-39H2,1-2H3",KHYNLKWLPONHOE-UHFFFAOYSA-N,C40H81NO3,624.1,623.6216455,16.7,49.8,541,0,1,4,39,44,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Glycine, N-(N-L-gamma-glutamyl-2-nitroso-L-cysteinyl)-",57564-91-7,104858,(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-nitrososulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid,C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,"InChI=1S/C10H16N4O7S/c11-5(10(19)20)1-2-7(15)13-6(4-22-14-21)9(18)12-3-8(16)17/h5-6H,1-4,11H2,(H,12,18)(H,13,15)(H,16,17)(H,19,20)/t5-,6-/m0/s1",HYHSBSXUHZOYLX-WDSKDSINSA-N,C10H16N4O7S,336.32,336.07397,-4.8,214,445,0,5,10,10,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Sulfide, bis(3-triethoxysilylpropyl)",60764-86-5,3045456,triethoxy-[3-(3-triethoxysilylpropylsulfanyl)propyl]silane,CCO[Si](CCCSCCC[Si](OCC)(OCC)OCC)(OCC)OCC,"InChI=1S/C18H42O6SSi2/c1-7-19-26(20-8-2,21-9-3)17-13-15-25-16-14-18-27(22-10-4,23-11-5)24-12-6/h7-18H2,1-6H3",ZRKGYQLXOAHRRN-UHFFFAOYSA-N,C18H42O6SSi2,442.8,442.2240633,,80.7,275,0,0,7,20,27,,,1,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"Butanenitrile, 4-(methylsulfinyl)-",61121-65-1,100579,4-methylsulfinylbutanenitrile,CS(=O)CCCC#N,"InChI=1S/C5H9NOS/c1-8(7)5-3-2-4-6/h2-3,5H2,1H3",XCDBAGVWCGHEFB-UHFFFAOYSA-N,C5H9NOS,131.2,131.0404851,-0.6,60.1,124,0,0,3,3,8,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"Pentanenitrile, 5-(methylsulfinyl)-",61121-66-2,543743,5-methylsulfinylpentanenitrile,CS(=O)CCCCC#N,"InChI=1S/C6H11NOS/c1-9(8)6-4-2-3-5-7/h2-4,6H2,1H3",FGYQUFZANKOISC-UHFFFAOYSA-N,C6H11NOS,145.23,145.0561352,-0.3,60.1,135,0,0,3,4,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propanone, 1,3-diamino-, dihydrochloride",61798-04-7,198422,"1,3-diaminopropan-2-one;dihydrochloride",C(C(=O)CN)N.Cl.Cl,"InChI=1S/C3H8N2O.2ClH/c4-1-3(6)2-5;;/h1-2,4-5H2;2*1H",GAOYTRAZVCVBEF-UHFFFAOYSA-N,C3H10Cl2N2O,161.03,160.0170183,,69.1,46,0,4,3,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-Propanediol, 3-propoxy-",61940-71-4,99037,"3-propoxypropane-1,2-diol",CCCOCC(CO)O,"InChI=1S/C6H14O3/c1-2-3-9-5-6(8)4-7/h6-8H,2-5H2,1H3",ZTKZJXGLCCVMLJ-UHFFFAOYSA-N,C6H14O3,134.17,134.0942943,-0.3,49.7,56,0,2,3,5,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Rhodium, tetrakis(mu-pentanoato)di-",62728-88-5,3046820,tetrakis(pentanoate);bis(rhodium(2+)),CCCCC(=O)[O-].CCCCC(=O)[O-].CCCCC(=O)[O-].CCCCC(=O)[O-].[Rh+2].[Rh+2],"InChI=1S/4C5H10O2.2Rh/c4*1-2-3-4-5(6)7;;/h4*2-4H2,1H3,(H,6,7);;/q;;;;2*+2/p-4",JBOOLEHRQNSRGU-UHFFFAOYSA-J,C20H36O8Rh2,610.3,610.05201,,161,53,0,0,8,8,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Rhodium, tetrakis(mu-hexanoato)di-",62728-89-6,24845992,tetrakis(hexanoate);bis(rhodium(2+)),CCCCCC(=O)[O-].CCCCCC(=O)[O-].CCCCCC(=O)[O-].CCCCCC(=O)[O-].[Rh+2].[Rh+2],"InChI=1S/4C6H12O2.2Rh/c4*1-2-3-4-5-6(7)8;;/h4*2-5H2,1H3,(H,7,8);;/q;;;;2*+2/p-4",FNSGZOCUBHMUMB-UHFFFAOYSA-J,C24H44O8Rh2,666.4,666.11461,,161,345,0,0,8,16,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Neoheptaene,62851-51-8,12984,"4,4-dimethylpent-1-ene",CC(C)(C)CC=C,"InChI=1S/C7H14/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3",KLCNJIQZXOQYTE-UHFFFAOYSA-N,C7H14,98.19,98.10955045,3.1,0,54,0,0,0,2,7,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Pentanoic acid, 2-propyl-, magnesium salt",62959-43-7,147515,magnesium bis(2-propylpentanoate),CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-].[Mg+2],"InChI=1S/2C8H16O2.Mg/c2*1-3-5-7(6-4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",LKLLHOIUJVEAGU-UHFFFAOYSA-L,C16H30MgO4,310.71,310.1994511,,80.3,87,0,0,4,8,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
"Heptanethiol, methyl-",63834-87-7,44824,1-methylsulfanylheptane,CCCCCCCSC,"InChI=1S/C8H18S/c1-3-4-5-6-7-8-9-2/h3-8H2,1-2H3",FJDWJOQOEZRIDJ-UHFFFAOYSA-N,C8H18S,146.3,146.1129218,4.2,25.3,43,0,0,1,6,9,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Guanidine, hydroxyethyl-, hydrochloride",63885-25-6,51064095,2-(2-hydroxyethyl)guanidine;hydrochloride,C(CO)N=C(N)N.Cl,"InChI=1S/C3H9N3O.ClH/c4-3(5)6-1-2-7;/h7H,1-2H2,(H4,4,5,6);1H",AGGLIVUFWZNXEL-UHFFFAOYSA-N,C3H10ClN3O,139.58,139.0512396,,84.6,66,0,4,2,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ether, methyl octafluoroisobutyl",63919-03-9,45459,"2-[difluoro(methoxy)methyl]-1,1,1,3,3,3-hexafluoropropane",COC(C(C(F)(F)F)C(F)(F)F)(F)F,"InChI=1S/C5H4F8O/c1-14-5(12,13)2(3(6,7)8)4(9,10)11/h2H,1H3",AQHKYFLVHBIQMS-UHFFFAOYSA-N,C5H4F8O,232.07,232.01344,3.3,9.2,177,0,0,9,2,14,,,0,1,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,1,0,0
"Fumaric acid, bis(2-(2-chloroethoxy)ethyl) ester",63957-09-5,6434783,bis[2-(2-chloroethoxy)ethyl] (Z)-but-2-enedioate,C(COC(=O)/C=C\C(=O)OCCOCCCl)OCCCl,"InChI=1S/C12H18Cl2O6/c13-3-5-17-7-9-19-11(15)1-2-12(16)20-10-8-18-6-4-14/h1-2H,3-10H2/b2-1-",PEXGHQNEVIAVCQ-UPHRSURJSA-N,C12H18Cl2O6,329.17,328.0480437,1.1,71.1,268,0,0,6,14,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
meso-Antimony potassium tartrate,64070-10-6,3048869,"dipotassium;bis(antimony(3+));bis(2,3-dioxidobutanedioate)",C(C(C(=O)[O-])[O-])(C(=O)[O-])[O-].C(C(C(=O)[O-])[O-])(C(=O)[O-])[O-].[K+].[K+].[Sb+3].[Sb+3],"InChI=1S/2C4H4O6.2K.2Sb/c2*5-1(3(7)8)2(6)4(9)10;;;;/h2*1-2H,(H,7,8)(H,9,10);;;;/q2*-2;2*+1;2*+3/p-4",GUJUCWZGYWASLH-UHFFFAOYSA-J,C8H4K2O12Sb2,613.83,613.70572,,253,123,0,0,12,2,24,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Arsonium, (carboxymethyl)trimethyl-, hydroxide, inner salt",64436-13-1,47364,2-trimethylarsoniumylacetate,C[As+](C)(C)CC(=O)[O-],"InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3",SPTHHTGLGVZZRH-UHFFFAOYSA-N,C5H11AsO2,178.06,177.997499,,40.1,87,0,0,2,1,8,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Diethylenetriamine, N-cyanoethyl-",65216-94-6,47551,3-[bis(2-aminoethyl)amino]propanenitrile,C(CN(CCN)CCN)C#N,"InChI=1S/C7H16N4/c8-2-1-5-11(6-3-9)7-4-10/h1,3-7,9-10H2",YLFIKUFWZJZACZ-UHFFFAOYSA-N,C7H16N4,156.23,156.1374965,-1.9,79.1,120,0,2,4,6,11,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"1,2,4-Butanetricarboxylic acid, 2-phosphono-, tetrasodium salt",66669-53-2,6455350,tetrasodium;2-(carboxymethyl)-2-phosphonatopentanedioate,C(CC(CC(=O)O)(C(=O)[O-])P(=O)([O-])[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C7H11O9P.4Na/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16;;;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16);;;;/q;4*+1/p-4",DOKCKBQARAOKRY-UHFFFAOYSA-J,C7H7Na4O9P,358.06,357.9418459,,181,360,0,1,9,4,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Glycine, N,N'-1,2-ethanediylbis(N-(carboxymethyl)-, tetrasodium salt, trihydrate",67401-50-7,90684493,tetrasodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;trihydrate,C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.O.O.O.[Na+].[Na+].[Na+].[Na+],"InChI=1S/C10H16N2O8.4Na.3H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;;3*1H2/q;4*+1;;;",ZARZIAZCUSEZHL-UHFFFAOYSA-N,C10H22N2Na4O11+4,438.25,438.0814367,,159,315,4,7,13,11,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Valine, N-acetyl-3-(nitrosothio)-",67776-06-1,5231,2-acetamido-3-methyl-3-nitrososulfanylbutanoic acid,CC(=O)NC(C(=O)O)C(C)(C)SN=O,"InChI=1S/C7H12N2O4S/c1-4(10)8-5(6(11)12)7(2,3)14-9-13/h5H,1-3H3,(H,8,10)(H,11,12)",ZIIQCSMRQKCOCT-UHFFFAOYSA-N,C7H12N2O4S,220.25,220.051778,-0.3,121,254,0,2,6,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Diethylamine, 2,2'-dimethoxy-N-nitroso-",67856-65-9,49986,"N,N-bis(2-methoxyethyl)nitrous amide",COCCN(CCOC)N=O,"InChI=1S/C6H14N2O3/c1-10-5-3-8(7-9)4-6-11-2/h3-6H2,1-2H3",YUOVQRQPDLKLTB-UHFFFAOYSA-N,C6H14N2O3,162.19,162.1004423,-0.4,51.1,91,0,0,5,6,11,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Diethylamine, 2,2'-dichloro-N-nitroso-",67856-68-2,45205,"N,N-bis(2-chloroethyl)nitrous amide",C(CCl)N(CCCl)N=O,InChI=1S/C4H8Cl2N2O/c5-1-3-8(7-9)4-2-6/h1-4H2,VWQXNTZBSSUTAB-UHFFFAOYSA-N,C4H8Cl2N2O,171.02,170.0013683,1.1,32.7,75,0,0,3,4,9,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanol, 2,2-dibromo-2-nitro-",69094-18-4,93395,"2,2-dibromo-2-nitroethanol",C(C([N+](=O)[O-])(Br)Br)O,"InChI=1S/C2H3Br2NO3/c3-2(4,1-6)5(7)8/h6H,1H2",FMNZAHDAULEOSO-UHFFFAOYSA-N,C2H3Br2NO3,248.86,248.84592,0.9,66.1,97,0,1,3,1,8,,,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,1,1,1,0
"Sulfamic acid, 2,2,2-trichloroethyl ester",69226-51-3,3052707,"2,2,2-trichloroethyl sulfamate",C(C(Cl)(Cl)Cl)OS(=O)(=O)N,"InChI=1S/C2H4Cl3NO3S/c3-2(4,5)1-9-10(6,7)8/h1H2,(H2,6,7,8)",VOKONKGVTXWZJI-UHFFFAOYSA-N,C2H4Cl3NO3S,228.5,226.897747,0.8,77.8,189,0,1,4,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Glycine, L-gamma-glutamyl-S-(dimethylarsino)-L-cysteinyl-",69819-86-9,11683005,(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-dimethylarsanylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid,C[As](C)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,"InChI=1S/C12H22AsN3O6S/c1-13(2)23-6-8(11(20)15-5-10(18)19)16-9(17)4-3-7(14)12(21)22/h7-8H,3-6,14H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)(H,21,22)/t7-,8-/m0/s1",JGDXFQORBMPJGR-YUMQZZPRSA-N,C12H22AsN3O6S,411.31,411.044526,,184,449,0,5,8,11,23,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"6,8,11,14-Eicosatetraenoic acid, 5-hydroxy-, (S-(E,Z,Z,Z))-",70608-72-9,5280733,"(5S,6E,8Z,11Z,14Z)-5-hydroxyicosa-6,8,11,14-tetraenoic acid",CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)O,"InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16,19,21H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1",KGIJOOYOSFUGPC-JGKLHWIESA-N,C20H32O3,320.5,320.2351449,5.2,57.5,392,0,2,3,14,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hexanoic acid, 3,5,5-trimethyl-, allyl ester",71500-37-3,51330,"prop-2-enyl 3,5,5-trimethylhexanoate",CC(CC(=O)OCC=C)CC(C)(C)C,"InChI=1S/C12H22O2/c1-6-7-14-11(13)8-10(2)9-12(3,4)5/h6,10H,1,7-9H2,2-5H3",NSXNWIWVNIJLHK-UHFFFAOYSA-N,C12H22O2,198.3,198.1619799,3.8,26.3,189,0,0,2,7,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acrylic acid, 2-cyano-3-ethoxy-",71648-24-3,3033514,(E)-2-cyano-3-ethoxyprop-2-enoic acid,CCO/C=C(\C#N)/C(=O)O,"InChI=1S/C6H7NO3/c1-2-10-4-5(3-7)6(8)9/h4H,2H2,1H3,(H,8,9)/b5-4+",AVAQZFUVMGMHSC-SNAWJCMRSA-N,C6H7NO3,141.12,141.0425931,0.3,70.3,198,0,1,4,3,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Borate(1-), tetrafluoro-, mono-n-butylammonium salt",71852-73-8,51438,butylazanium tetrafluoroborate,[B-](F)(F)(F)F.CCCC[NH3+],"InChI=1S/C4H11N.BF4/c1-2-3-4-5;2-1(3,4)5/h2-5H2,1H3;/q;-1/p+1",NPRPGAZEBACOGF-UHFFFAOYSA-O,C4H12BF4N,160.95,161.0998922,,27.6,32,0,1,5,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Glycine, N-(S-(1-(4-carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl)-N-L-gamma-glutamyl-L-cysteinyl)-, (R-(R*,S*-(E,E,Z,Z)))-",72025-60-6,5280493,"(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid",CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,"InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1",GWNVDXQDILPJIG-NXOLIXFESA-N,C30H47N3O9S,625.8,625.3033013,0.7,242,982,0,7,11,25,43,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Tridecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluoro-",72629-94-8,3018355,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecanoic acid",C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C13HF25O2/c14-2(15,1(39)40)3(16,17)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)13(36,37)38/h(H,39,40)",LVDGGZAZAYHXEY-UHFFFAOYSA-N,C13HF25O2,664.1,663.9577333,8.3,37.3,970,0,1,27,11,40,,,0,0,1,1,0,1,0,1,0,0,0,0,0,1,0,0,0,0,1,0
"Eicosapentaenoic acid, ethyl ester",73310-10-8,9831415,"ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC,"InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-",SSQPWTVBQMWLSZ-AAQCHOMXSA-N,C22H34O2,330.5,330.2558803,6.3,26.3,425,0,0,2,15,24,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, N,N-dimethyl-2-iodo-",73664-43-4,52050,"2-iodo-N,N-dimethylacetamide",CN(C)C(=O)CI,"InChI=1S/C4H8INO/c1-6(2)4(7)3-5/h3H2,1-2H3",IKDLEYHOWFZBBC-UHFFFAOYSA-N,C4H8INO,213.02,212.96506,0.4,20.3,72,0,0,1,1,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propanol, 1-ethylamino-2-methyl-",73825-96-4,415913,1-(ethylamino)-2-methylpropan-2-ol,CCNCC(C)(C)O,"InChI=1S/C6H15NO/c1-4-7-5-6(2,3)8/h7-8H,4-5H2,1-3H3",XJUNFOQRHFYPKP-UHFFFAOYSA-N,C6H15NO,117.19,117.1153641,0.1,32.3,61,0,2,2,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Manganese(II) chloride, hydrate",73913-06-1,18365734,manganese(2+);dichloride;hydrate,O.[Cl-].[Cl-].[Mn+2],InChI=1S/2ClH.Mn.H2O/h2*1H;;1H2/q;;+2;/p-2,BXRRQHBNBXJZBQ-UHFFFAOYSA-L,Cl2H2MnO,143.86,142.886313,,1,0,0,1,3,0,4,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Succinic acid, 2,3-diformyl-, diethyl ester, mono(diethylacetal)",73926-95-1,99801,diethyl 2-(diethoxymethyl)-3-formylbutanedioate,CCOC(C(C(C=O)C(=O)OCC)C(=O)OCC)OCC,"InChI=1S/C14H24O7/c1-5-18-12(16)10(9-15)11(13(17)19-6-2)14(20-7-3)21-8-4/h9-11,14H,5-8H2,1-4H3",VWMWTNGQVQUUPC-UHFFFAOYSA-N,C14H24O7,304.34,304.1522031,1,88.1,323,0,0,7,13,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonic acid, (1-hydroxy-2-methylpropyl)-, diethyl ester",74038-47-4,99750,1-diethoxyphosphoryl-2-methylpropan-1-ol,CCOP(=O)(C(C(C)C)O)OCC,"InChI=1S/C8H19O4P/c1-5-11-13(10,12-6-2)8(9)7(3)4/h7-9H,5-6H2,1-4H3",MHCIATHWPPJEEC-UHFFFAOYSA-N,C8H19O4P,210.21,210.1020961,1,55.8,171,0,1,4,6,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrazinium, 2-(2-carboxyethyl)-1,1,1-trimethyl-, hydroxide, inner salt",76144-81-5,123868,3-[(trimethylazaniumyl)amino]propanoate,C[N+](C)(C)NCCC(=O)[O-],"InChI=1S/C6H14N2O2/c1-8(2,3)7-5-4-6(9)10/h7H,4-5H2,1-3H3",PVBQYTCFVWZSJK-UHFFFAOYSA-N,C6H14N2O2,146.19,146.1055277,-2.1,52.2,112,0,1,3,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, 2-(pentylamino)-",76990-56-2,53569,2-(pentylamino)acetamide,CCCCCNCC(=O)N,"InChI=1S/C7H16N2O/c1-2-3-4-5-9-6-7(8)10/h9H,2-6H2,1H3,(H2,8,10)",GJNNXIYZWIZFRH-UHFFFAOYSA-N,C7H16N2O,144.21,144.1262631,0.5,55.1,93,0,2,2,6,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Hexenoic acid, 4-amino-, (4R)-",77162-51-7,157018,(4R)-4-aminohex-5-enoic acid,C=C[C@@H](CCC(=O)O)N,"InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1",PJDFLNIOAUIZSL-YFKPBYRVSA-N,C6H11NO2,129.16,129.0789786,-2.2,63.3,112,0,2,3,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Propylamine, 3-chloro-N-(2-chloroethyl)-, hydrochloride",78218-47-0,3060541,3-chloro-N-(2-chloroethyl)propan-1-amine;hydrochloride,C(CNCCCl)CCl.Cl,"InChI=1S/C5H11Cl2N.ClH/c6-2-1-4-8-5-3-7;/h8H,1-5H2;1H",ZGGGBVXKANMEPP-UHFFFAOYSA-N,C5H12Cl3N,192.5,191.003532,,12,41,0,2,1,5,9,,,0,0,0,1,0,1,1,1,0,0,1,0,0,0,0,0,1,1,1,1
"2,4,7-Decatrienoic acid, ethyl ester",78417-28-4,3018771,"ethyl deca-2,4,7-trienoate",CCC=CCC=CC=CC(=O)OCC,"InChI=1S/C12H18O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h5-6,8-11H,3-4,7H2,1-2H3",KRCQDQXKPOKJOE-UHFFFAOYSA-N,C12H18O2,194.27,194.1306798,3.3,26.3,224,0,0,2,7,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"D-Norvaline, 5-phosphono-",79055-68-8,24794417,[(4R)-4-amino-4-carboxybutyl]-hydroxyphosphinate,C(C[C@H](C(=O)O)N)CP(=O)(O)[O-],"InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/p-1/t4-/m1/s1",VOROEQBFPPIACJ-SCSAIBSYSA-M,C5H11NO5P-,196.12,196.0374845,-5.4,124,198,-1,3,6,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonic acid, (6-amino-1-hydroxyhexylidene)bis-, hydrate",79778-41-9,71237,(6-amino-1-hydroxy-1-phosphonohexyl)phosphonic acid,C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN,"InChI=1S/C6H17NO7P2/c7-5-3-1-2-4-6(8,15(9,10)11)16(12,13)14/h8H,1-5,7H2,(H2,9,10,11)(H2,12,13,14)",PUUSSSIBPPTKTP-UHFFFAOYSA-N,C6H17NO7P2,277.15,277.0480259,-5.8,161,286,0,6,8,7,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,5-Dioxa-9-thia-4-phosphapentacosan-1-aminium, 4-hydroxy-7-(methoxymethyl)-N,N,N-trimethyl-,hydroxide, inner salt, 4-oxide",83519-04-4,55008,[2-(hexadecylsulfanylmethyl)-3-methoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate,CCCCCCCCCCCCCCCCSCC(COC)COP(=O)([O-])OCC[N+](C)(C)C,"InChI=1S/C26H56NO5PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-34-25-26(23-30-5)24-32-33(28,29)31-21-20-27(2,3)4/h26H,6-25H2,1-5H3",ODEDPKNSRBCSDO-UHFFFAOYSA-N,C26H56NO5PS,525.8,525.3616821,7.5,93.1,482,0,0,6,26,34,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Boronic acid, (2-methylpropyl)-",84110-40-7,2734395,2-methylpropylboronic acid,B(CC(C)C)(O)O,"InChI=1S/C4H11BO2/c1-4(2)3-5(6)7/h4,6-7H,3H2,1-2H3",ZAZPDOYUCVFPOI-UHFFFAOYSA-N,C4H11BO2,101.94,102.0852098,,40.5,45,0,2,2,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-Decadienoic acid, propyl ester",84788-08-9,119922,"propyl deca-2,4-dienoate",CCCCCC=CC=CC(=O)OCCC,"InChI=1S/C13H22O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h8-11H,3-7,12H2,1-2H3",RKDOXCGYGLYOBV-UHFFFAOYSA-N,C13H22O2,210.31,210.1619799,4.5,26.3,205,0,0,2,9,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Ethanol, 2-(ethylnitroamino)-, nitrate (ester)",85068-73-1,150089,2-[ethyl(nitro)amino]ethyl nitrate,CCN(CCO[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C4H9N3O5/c1-2-5(6(8)9)3-4-12-7(10)11/h2-4H2,1H3",JOPZHCIUTNIPAH-UHFFFAOYSA-N,C4H9N3O5,179.13,179.0542204,1.3,104,161,0,0,6,4,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propanenitrile, 3,3'-(1,2-ethanediylbis(thio))bis-",86180-54-3,99335,3-[2-(2-cyanoethylsulfanyl)ethylsulfanyl]propanenitrile,C(CSCCSCCC#N)C#N,"InChI=1S/C8H12N2S2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-2,5-8H2",SJYFOHJCZZEPNC-UHFFFAOYSA-N,C8H12N2S2,200.3,200.0441907,0.9,98.2,164,0,0,4,7,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
Hydrolyzed collagen,92113-31-0,168010125,methane;(vanadium),C.C.[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V],InChI=1S/2CH4.29V/h2*1H4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;,RLRGZPUBTBKXRO-UHFFFAOYSA-N,C2H8V29,1509.39,1509.43737,,0,0,0,0,0,0,31,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
Conantokin G V,93438-65-4,16132376,"2-[2-[[2-[[2-[[2-[[2-[[5-amino-2-[[4-amino-2-[[2-[[5-amino-2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-4-carboxybutanoyl]amino]-4,4-dicarboxybutanoyl]amino]-4,4-dicarboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4,4-dicarboxybutanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-4,4-dicarboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-[[6-amino-1-[[1-[(1,4-diamino-1,4-dioxobutan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-oxopropyl]propanedioic acid",CCC(C)C(C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C(=O)O)C(=O)O)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C(=O)O)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(CC(C(=O)O)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C(=O)O)C(=O)O)NC(=O)C(CC(C(=O)O)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CN,"InChI=1S/C88H138N26O44/c1-7-34(6)61(77(138)103-41(12-10-20-98-88(96)97)63(124)107-48(23-35(78(139)140)79(141)142)69(130)100-40(11-8-9-19-89)64(125)113-54(31-115)76(137)104-45(62(95)123)28-57(93)118)114-75(136)47(22-33(4)5)106-70(131)49(24-36(80(143)144)81(145)146)109-67(128)44(14-17-56(92)117)102-74(135)53(29-58(94)119)112-73(134)51(26-38(84(151)152)85(153)154)110-66(127)43(13-16-55(91)116)101-68(129)46(21-32(2)3)105-71(132)52(27-39(86(155)156)87(157)158)111-72(133)50(25-37(82(147)148)83(149)150)108-65(126)42(15-18-60(121)122)99-59(120)30-90/h32-54,61,115H,7-31,89-90H2,1-6H3,(H2,91,116)(H2,92,117)(H2,93,118)(H2,94,119)(H2,95,123)(H,99,120)(H,100,130)(H,101,129)(H,102,135)(H,103,138)(H,104,137)(H,105,132)(H,106,131)(H,107,124)(H,108,126)(H,109,128)(H,110,127)(H,111,133)(H,112,134)(H,113,125)(H,114,136)(H,121,122)(H,139,140)(H,141,142)(H,143,144)(H,145,146)(H,147,148)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H4,96,97,98)",HTBKFGWATIYCSF-UHFFFAOYSA-N,C88H138N26O44,2264.2,2262.936022,-18,1230,5190,0,38,47,82,158,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-Undecanediol, 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-",94159-84-9,2776406,"4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecane-1,2-diol",C(C(CO)O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C11H7F17O2/c12-4(13,1-3(30)2-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h3,29-30H,1-2H2",CGRIOEGIXRPCJU-UHFFFAOYSA-N,C11H7F17O2,494.14,494.0174582,5.1,40.5,607,0,2,19,9,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphorodithioic acid, O-ethyl-, S,S-bis(1-methylpropyl)ester",95465-99-9,91752,2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane,CCC(C)SP(=O)(OCC)SC(C)CC,"InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3",KXRPCFINVWWFHQ-UHFFFAOYSA-N,C10H23O2PS2,270.4,270.0877093,3.3,76.9,196,0,0,4,8,15,129.4 °C (Seta closed cup),BP: 112-114 °C at 0.8 mm Hg,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propenoic acid, 2-fluoro-, 2,2,3,3-tetrafluoropropyl ester",96250-37-2,2782529,"2,2,3,3-tetrafluoropropyl 2-fluoroprop-2-enoate",C=C(C(=O)OCC(C(F)F)(F)F)F,"InChI=1S/C6H5F5O2/c1-3(7)4(12)13-2-6(10,11)5(8)9/h5H,1-2H2",OOPSTBSKXWPLKJ-UHFFFAOYSA-N,C6H5F5O2,204.09,204.0209702,2.5,26.3,213,0,0,7,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6,8,10,12-Eicosatetraenoic acid, 5,14,15-trihydroxy-, (5S,6E,8Z,10E,12E,14R,15S)-",98049-69-5,5280915,"(5S,6E,8Z,10E,12E,14R,15S)-5,14,15-trihydroxyicosa-6,8,10,12-tetraenoic acid",CCCCC[C@@H]([C@@H](/C=C/C=C/C=C\C=C\[C@H](CCCC(=O)O)O)O)O,"InChI=1S/C20H32O5/c1-2-3-8-14-18(22)19(23)15-10-7-5-4-6-9-12-17(21)13-11-16-20(24)25/h4-7,9-10,12,15,17-19,21-23H,2-3,8,11,13-14,16H2,1H3,(H,24,25)/b6-4-,7-5+,12-9+,15-10+/t17-,18+,19-/m1/s1",UXVRTOKOJOMENI-WLPVFMORSA-N,C20H32O5,352.5,352.2249741,3.1,98,451,0,4,5,14,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-",98277-87-3,127076,2-[bis(2-chloroethyl)amino]ethanesulfonic acid,C(CS(=O)(=O)O)N(CCCl)CCCl,"InChI=1S/C6H13Cl2NO3S/c7-1-3-9(4-2-8)5-6-13(10,11)12/h1-6H2,(H,10,11,12)",HJKWURIJRYSWSR-UHFFFAOYSA-N,C6H13Cl2NO3S,250.14,248.9993198,-1.9,66,208,0,1,4,7,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Butyramide, 2-ethylthio-",98278-52-5,3062527,2-ethylbutanethioamide,CCC(CC)C(=S)N,"InChI=1S/C6H13NS/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H2,7,8)",ZQPXMBHQIBIRCF-UHFFFAOYSA-N,C6H13NS,131.24,131.0768706,1.5,58.1,76,0,1,1,3,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Norleucine, 6-phosphono-",98575-76-9,3062646,(2S)-2-amino-6-phosphonohexanoic acid,C(CCP(=O)(O)O)C[C@@H](C(=O)O)N,"InChI=1S/C6H14NO5P/c7-5(6(8)9)3-1-2-4-13(10,11)12/h5H,1-4,7H2,(H,8,9)(H2,10,11,12)/t5-/m0/s1",QIOXWRQXHFVNLV-YFKPBYRVSA-N,C6H14NO5P,211.15,211.0609595,-3.9,121,213,0,4,6,6,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pseudourea, 2-(2-guanidinoethyl)-2-thio-, dihydrobromide",100130-32-3,3063227,2-(diaminomethylideneamino)ethyl carbamimidothioate;dihydrobromide,C(CSC(=N)N)N=C(N)N.Br.Br,"InChI=1S/C4H11N5S.2BrH/c5-3(6)9-1-2-10-4(7)8;;/h1-2H2,(H3,7,8)(H4,5,6,9);2*1H",GPWJSTKHQMIXCA-UHFFFAOYSA-N,C4H13Br2N5S,323.06,322.92379,,140,139,0,6,3,4,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-Nitroxypropanol,100502-66-7,10011893,3-hydroxypropyl nitrate,C(CO)CO[N+](=O)[O-],"InChI=1S/C3H7NO4/c5-2-1-3-8-4(6)7/h5H,1-3H2",PTMLFFXFTRSBJW-UHFFFAOYSA-N,C3H7NO4,121.09,121.0375077,0.2,75.3,68,0,1,4,3,8,,,0,0,0,1,0,0,0,1,0,0,0,0,1,1,0,1,1,0,0,1
"4-Hexenoic acid, 6-((1R,2R)-2-((1E,3S)-3-hydroxy-1-octenyl)-5-oxocyclopentyl)-, (4Z)-",103233-13-2,101384,hex-4-enoic acid,CC=CCCC(=O)O,"InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h2-3H,4-5H2,1H3,(H,7,8)",NIDHFQDUBOVBKZ-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,1.1,37.3,94,0,1,2,3,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Pentanamide, N-hydroxy-2-propyl-",106132-78-9,88129,N-hydroxy-2-propylpentanamide,CCCC(CCC)C(=O)NO,"InChI=1S/C8H17NO2/c1-3-5-7(6-4-2)8(10)9-11/h7,11H,3-6H2,1-2H3,(H,9,10)",ROJGIRXXBBBMPL-UHFFFAOYSA-N,C8H17NO2,159.23,159.1259288,1.9,49.3,109,0,2,2,5,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hexadecanamide, N-(3-(hexadecyloxy)-2-hydroxypropyl)-N-(2-hydroxyethyl)-",110483-07-3,3082568,N-(3-hexadecoxy-2-hydroxypropyl)-N-(2-hydroxyethyl)hexadecanamide,CCCCCCCCCCCCCCCCOCC(CN(CCO)C(=O)CCCCCCCCCCCCCCC)O,"InChI=1S/C37H75NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-42-35-36(40)34-38(31-32-39)37(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36,39-40H,3-35H2,1-2H3",PUGFCQQOYJMKOO-UHFFFAOYSA-N,C37H75NO4,598,597.5696099,13.4,70,530,0,2,4,35,42,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"DL-Alaninamide, L-tyrosyl-D-alanylglycyl-L-phenylalanyl-3-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-",111727-42-5,350287,2-aminopropanamide,CC(C(=O)N)N,"InChI=1S/C3H8N2O/c1-2(4)3(5)6/h2H,4H2,1H3,(H2,5,6)",HQMLIDZJXVVKCW-UHFFFAOYSA-N,C3H8N2O,88.11,88.06366288,-1.4,69.1,61,0,2,2,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, tetrabutylammonium salt",111873-33-7,16218638,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;tetrabutylazanium",CCCC[N+](CCCC)(CCCC)CCCC.C(C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C16H36N.C8HF17O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h5-16H2,1-4H3;(H,26,27,28)/q+1;/p-1",MUOQTHSUZGSHGW-UHFFFAOYSA-M,C24H36F17NO3S,741.6,741.2144439,,65.6,830,0,0,20,18,46,,,0,0,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Phosphonic acid, (1-hydroxy-3-(methylpentylamino)propylidene)bis-",114084-78-5,60852,[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,"InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)",MPBVHIBUJCELCL-UHFFFAOYSA-N,C9H23NO7P2,319.23,319.0949761,-4.1,139,342,0,5,8,9,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DE-71,117148-05-7,19782904,"hydron;2-hydroxypropane-1,2,3-tricarboxylate",[H+].[H+].[H+].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",KRKNYBCHXYNGOX-UHFFFAOYSA-N,C6H8O7,192.12,192.0270026,,141,211,0,4,7,2,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphonium, tributyltetradecyl-, tetrafluoroborate(1-)",125792-14-5,183728,tributyl(tetradecyl)phosphanium tetrafluoroborate,[B-](F)(F)(F)F.CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC,"InChI=1S/C26H56P.BF4/c1-5-9-13-14-15-16-17-18-19-20-21-22-26-27(23-10-6-2,24-11-7-3)25-12-8-4;2-1(3,4)5/h5-26H2,1-4H3;/q+1;-1",HXDHZANEMKRYHV-UHFFFAOYSA-N,C26H56BF4P,486.5,486.4148816,,0,271,0,0,5,22,32,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,1,0
"Phosphinic acid, (3-aminopropyl)methyl-",127729-35-5,5230,3-aminopropyl(methyl)phosphinic acid,CP(=O)(CCCN)O,"InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)",NHVRIDDXGZPJTJ-UHFFFAOYSA-N,C4H12NO2P,137.12,137.0605656,-4,63.3,104,0,2,3,3,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-Pentenoic acid, 2-amino-4-methyl-5-phosphono-, 1-ethyl ester, (E)-(+-)-",127910-32-1,6372334,[(E)-4-amino-5-ethoxy-2-methyl-5-oxopent-2-enyl]phosphonic acid,CCOC(=O)C(/C=C(\C)/CP(=O)(O)O)N,"InChI=1S/C8H16NO5P/c1-3-14-8(10)7(9)4-6(2)5-15(11,12)13/h4,7H,3,5,9H2,1-2H3,(H2,11,12,13)/b6-4+",OKDOWCKDTWNRCB-GQCTYLIASA-N,C8H16NO5P,237.19,237.0766096,-3.4,110,295,0,3,6,6,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propanoic acid, 2-amino-3-phosphono-, (2S)-",128241-72-5,446873,(2S)-2-amino-3-phosphonopropanoic acid,C([C@H](C(=O)O)N)P(=O)(O)O,"InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1",LBTABPSJONFLPO-UWTATZPHSA-N,C3H8NO5P,169.07,169.0140094,-5.2,121,174,0,4,6,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonic acid, (4-amino-1-hydroxybutylidene)bis-, monosodium salt",129318-43-0,16760285,sodium (4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate,C(CC(O)(P(=O)(O)O)P(=O)(O)[O-])CN.[Na+],"InChI=1S/C4H13NO7P2.Na/c5-3-1-2-4(6,13(7,8)9)14(10,11)12;/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12);/q;+1/p-1",CAKRAHQRJGUPIG-UHFFFAOYSA-M,C4H12NNaO7P2,271.08,270.99867,,164,293,0,5,8,5,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Palladium(2+), tetraammine-, (SP-4-1)-, carbonate (1:2)",134620-00-1,153931,azane;hydrogen carbonate;palladium(2+),C(=O)(O)[O-].C(=O)(O)[O-].N.N.N.N.[Pd+2],"InChI=1S/2CH2O3.4H3N.Pd/c2*2-1(3)4;;;;;/h2*(H2,2,3,4);4*1H3;/q;;;;;;+2/p-2",QYYPTZGPXKUKRM-UHFFFAOYSA-L,C2H14N4O6Pd,296.58,295.99481,,125,24,0,6,10,0,13,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,1,0
"Butanoic acid, 3-hydroxy-3-methyl-, calcium salt",135236-72-5,9860341,calcium bis(3-hydroxy-3-methylbutanoate),CC(C)(CC(=O)[O-])O.CC(C)(CC(=O)[O-])O.[Ca+2],"InChI=1S/2C5H10O3.Ca/c2*1-5(2,8)3-4(6)7;/h2*8H,3H2,1-2H3,(H,6,7);/q;;+2/p-2",WLJUMPWVUPNXMF-UHFFFAOYSA-L,C10H18CaO6,274.32,274.0729291,,121,90,0,2,6,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, 2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy)-",137780-69-9,2778677,"2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]acetic acid",C(=O)(C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C8HF15O4/c9-2(10,1(24)25)26-7(20,21)8(22,23)27-6(18,19)4(13,14)3(11,12)5(15,16)17/h(H,24,25)",PPSAKBBLKCJDCR-UHFFFAOYSA-N,C8HF15O4,446.07,445.9635309,5,55.8,565,0,1,19,8,27,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pentanoic acid, 5-amino-4-oxo-, hexyl ester, hydrochloride",140898-91-5,6433082,hexyl 5-amino-4-oxopentanoate;hydrochloride,CCCCCCOC(=O)CCC(=O)CN.Cl,"InChI=1S/C11H21NO3.ClH/c1-2-3-4-5-8-15-11(14)7-6-10(13)9-12;/h2-9,12H2,1H3;1H",LZYXPFZBAZTOCH-UHFFFAOYSA-N,C11H22ClNO3,251.75,251.1288213,,69.4,192,0,2,4,10,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"2-Heptadecanone, 1,1,1-trifluoro-",141022-99-3,4670,"1,1,1-trifluoroheptadecan-2-one",CCCCCCCCCCCCCCCC(=O)C(F)(F)F,"InChI=1S/C17H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(21)17(18,19)20/h2-15H2,1H3",MAHYXYTYTLCTQD-UHFFFAOYSA-N,C17H31F3O,308.4,308.2327001,8.5,17.1,249,0,0,4,14,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanamine, 2,2'-(hydroxynitrosohydrazono)bis-",146724-94-9,135402056,(Z)-[bis(2-aminoethyl)amino]-hydroxyimino-oxidoazanium,C(CN(CCN)/[N+](=N/O)/[O-])N,"InChI=1S/C4H13N5O2/c5-1-3-8(4-2-6)9(11)7-10/h10H,1-6H2/b9-7-",YNRCBOXEDICOIX-CLFYSBASSA-N,C4H13N5O2,163.18,163.1069247,-1.4,117,122,0,3,6,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Nonen-3-one, 1-(4-chlorophenyl)-, O-(2-(1-piperidinyl)ethyl)oxime, (E,E)-, (E)-2-butenedioate (1:1)",163261-61-8,181106,non-1-en-3-one,CCCCCCC(=O)C=C,"InChI=1S/C9H16O/c1-3-5-6-7-8-9(10)4-2/h4H,2-3,5-8H2,1H3",HILCQVNWWOARMT-UHFFFAOYSA-N,C9H16O,140.22,140.1201151,3,17.1,105,0,0,1,6,10,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-Hepten-3-one, 1-(4-chlorophenyl)-6-methyl-, O-(3-(1-piperidinyl)propyl)oxime, (E,E)-,(E)-2-butenedioate (E,E)-, (E)-2-butenedioate (1:1)",163261-67-4,520420,hept-1-en-3-one,CCCCC(=O)C=C,"InChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h4H,2-3,5-6H2,1H3",OYLCUJRJCUXQBQ-UHFFFAOYSA-N,C7H12O,112.17,112.088815,1.9,17.1,84,0,0,1,4,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-Hexen-3-one, 5-methyl-1-phenyl-, O-(2-(dimethylamino)ethyl)oxime, (E,E)-, (E)-2-butenedioate (1:1)",163261-75-4,15395,hex-1-en-3-one,CCCC(=O)C=C,"InChI=1S/C6H10O/c1-3-5-6(7)4-2/h4H,2-3,5H2,1H3",JTHNLKXLWOXOQK-UHFFFAOYSA-N,C6H10O,98.14,98.07316494,1.4,17.1,74,0,0,1,3,7,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Pentanedioic acid, 2-(phosphonomethyl)-",173039-10-6,10130754,2-(phosphonomethyl)pentanedioic acid,C(CC(=O)O)C(CP(=O)(O)O)C(=O)O,"InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)",ISEYJGQFXSTPMQ-UHFFFAOYSA-N,C6H11O7P,226.12,226.0242397,-2.2,132,267,0,4,7,6,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-Hexenamide, 2-(hydroxyimino)-6-methoxy-4-methyl-5-nitro-, (2E,3E)-",174175-11-2,6399012,"(E,2E)-2-hydroxyimino-6-methoxy-4-methyl-5-nitrohex-3-enamide",C/C(=C\C(=N/O)\C(=O)N)/C(COC)[N+](=O)[O-],"InChI=1S/C8H13N3O5/c1-5(3-6(10-13)8(9)12)7(4-16-2)11(14)15/h3,7,13H,4H2,1-2H3,(H2,9,12)/b5-3+,10-6+",HCUOEKSZWPGJIM-YBRHCDHNSA-N,C8H13N3O5,231.21,231.0855205,0.6,131,331,0,2,6,5,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propanoic acid, 2-hydroxy-, 2-ethylhexyl ester, (2S)-",186817-80-1,154073,2-ethylhexyl (2S)-2-hydroxypropanoate,CCCCC(CC)COC(=O)[C@H](C)O,"InChI=1S/C11H22O3/c1-4-6-7-10(5-2)8-14-11(13)9(3)12/h9-10,12H,4-8H2,1-3H3/t9-,10?/m0/s1",FECDACOUYKFOOP-RGURZIINSA-N,C11H22O3,202.29,202.1568946,3,46.5,157,0,1,3,8,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"L-Methioninamide, L-lysyl-L-prolyl-L-arginyl-L-prolyl-L-aspartyl-L-glutaminyl-L-phenylalanyl-L-tyrosylglycyl-L-leucyl-",205497-19-4,146480,(2S)-2-amino-4-methylsulfanylbutanamide,CSCC[C@@H](C(=O)N)N,"InChI=1S/C5H12N2OS/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H2,7,8)/t4-/m0/s1",GSYTVXOARWSQSV-BYPYZUCNSA-N,C5H12N2OS,148.23,148.0670342,-0.2,94.4,97,0,2,3,4,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,3-Propanetricarboxylic acid, 2-hydroxy-, silver(1+) salt (1:3), hydrate",206986-90-5,16212313,"2-hydroxypropane-1,2,3-tricarboxylic acid;silver;hydrate",C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O.[Ag].[Ag].[Ag],"InChI=1S/C6H8O7.3Ag.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;1H2",HGXIBFSXZZKKRV-UHFFFAOYSA-N,C6H10Ag3O8,533.74,532.75251,,133,239,0,5,8,5,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, 2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy)ethoxy)-",330562-41-9,2760333,"2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]acetic acid",C(=O)(C(OC(C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C10HF19O5/c11-2(12,1(30)31)32-7(22,23)8(24,25)34-10(28,29)9(26,27)33-6(20,21)4(15,16)3(13,14)5(17,18)19/h(H,30,31)",GDQLSTSWOFAQNO-UHFFFAOYSA-N,C10HF19O5,562.08,561.9520582,6.4,65,755,0,1,24,11,34,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Octanoic acid, 4,4,5,5,6,6,7,7,8,8,8-undecafluoro-",914637-49-3,14632790,"4,4,5,5,6,6,7,7,8,8,8-undecafluorooctanoic acid",C(CC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O,"InChI=1S/C8H5F11O2/c9-4(10,2-1-3(20)21)5(11,12)6(13,14)7(15,16)8(17,18)19/h1-2H2,(H,20,21)",ABFCFCPCGMHSRX-UHFFFAOYSA-N,C8H5F11O2,342.11,342.0113892,3.9,37.3,398,0,1,13,6,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Propanoic acid, 2,2,3-trifluoro-3-(1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy)-",919005-14-4,52915299,"2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoic acid",C(C(C(=O)O)(F)F)(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)F,"InChI=1S/C7H2F12O4/c8-1(3(9,10)2(20)21)22-5(13,14)4(11,12)6(15,16)23-7(17,18)19/h1H,(H,20,21)",AFDRCEOKCOUICI-UHFFFAOYSA-N,C7H2F12O4,378.07,377.9761465,4.1,55.8,443,0,1,16,7,23,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"Alanine, 3-(2-aminoethoxy)-, hydrochloride, L-",,16213721,(2S)-2-amino-3-(2-aminoethoxy)propanoic acid;hydrochloride,C(COC[C@@H](C(=O)O)N)N.Cl,"InChI=1S/C5H12N2O3.ClH/c6-1-2-10-3-4(7)5(8)9;/h4H,1-3,6-7H2,(H,8,9);1H/t4-;/m0./s1",OVHJSRSTAWFIIF-WCCKRBBISA-N,C5H13ClN2O3,184.62,184.06147,,98.6,107,0,4,5,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butane-1,4-diamine, N-(2-(phenylthio)ethyl)-",,437082,4-phosphonobutylphosphonic acid,C(CCP(=O)(O)O)CP(=O)(O)O,"InChI=1S/C4H12O6P2/c5-11(6,7)3-1-2-4-12(8,9)10/h1-4H2,(H2,5,6,7)(H2,8,9,10)",JKTORXLUQLQJCM-UHFFFAOYSA-N,C4H12O6P2,218.08,218.0109121,-2.7,115,190,0,4,6,5,12,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"3-Buten-1-amine, N-methyl-4-(5-ethoxy-3-pyridinyl)-, (3E)-, galactarate (2:1)",,443732,but-3-en-1-amine,C=CCCN,"InChI=1S/C4H9N/c1-2-3-4-5/h2H,1,3-5H2",ASVKKRLMJCWVQF-UHFFFAOYSA-N,C4H9N,71.12,71.07349929,0.4,26,24,0,1,1,2,5,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"3-Buten-2-one, 1-chloro-",,11829379,1-chlorobut-3-en-2-one,C=CC(=O)CCl,"InChI=1S/C4H5ClO/c1-2-4(6)3-5/h2H,1,3H2",SEVIEHFDUHCSCV-UHFFFAOYSA-N,C4H5ClO,104.53,104.0028925,1.2,17.1,67,0,0,1,2,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"Butyramide, 2-ethyl-",,235850,2-ethylbutanamide,CCC(CC)C(=O)N,"InChI=1S/C6H13NO/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H2,7,8)",QVEMWYGBLHQEAK-UHFFFAOYSA-N,C6H13NO,115.17,115.099714,1,43.1,76,0,1,1,3,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butyric acid, 4-pivalamido-",,68888,"4-(2,2-dimethylpropanoylamino)butanoic acid",CC(C)(C)C(=O)NCCCC(=O)O,"InChI=1S/C9H17NO3/c1-9(2,3)8(13)10-6-4-5-7(11)12/h4-6H2,1-3H3,(H,10,13)(H,11,12)",SRPNQDXRVRCTNK-UHFFFAOYSA-N,C9H17NO3,187.24,187.1208434,0.8,66.4,194,0,2,3,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethenesulfonamide, N-(6-methoxy-5-(2-methoxyphenoxy)(2,2'-bipyrimidin)-4-yl)-2-phenyl-, monopotassium salt, (2E)-",,520075,ethenesulfonamide,C=CS(=O)(=O)N,"InChI=1S/C2H5NO2S/c1-2-6(3,4)5/h2H,1H2,(H2,3,4,5)",JOXWSDNHLSQKCC-UHFFFAOYSA-N,C2H5NO2S,107.13,107.0040996,-0.6,68.5,128,0,1,3,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"D-Glucaric acid, 2,4-O-bis((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)-, mixt. with 3,5-O-bis((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)-D-glucaric acid",,33037,"(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid",[C@H]([C@@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O,"InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1",DSLZVSRJTYRBFB-LLEIAEIESA-N,C6H10O8,210.14,210.0375673,-2.5,156,202,0,6,8,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Heptenoic acid, 7-((1R,2R,3S,5S)-5-((1,1'-biphenyl)-4-ylmethoxy)-3-hydroxy-2-(1-piperidinyl)cyclopentyl)-, (4Z)-, hydrochloride",,5282711,(E)-hept-4-enoic acid,CC/C=C/CCC(=O)O,"InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h3-4H,2,5-6H2,1H3,(H,8,9)/b4-3+",KFXPOIKSDYRVKS-ONEGZZNKSA-N,C7H12O2,128.17,128.0837296,1.5,37.3,105,0,1,2,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hexanethioamide, N-phenyl-, mixed with N-phenylpentanethioamide",,14364693,hexanethioamide,CCCCCC(=S)N,"InChI=1S/C6H13NS/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H2,7,8)",SDELOLXCTBXEAW-UHFFFAOYSA-N,C6H13NS,131.24,131.0768706,1.7,58.1,70,0,1,1,4,8,,,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hexanetriol, 2,5-dimethyl-",,256067,"2,5-dimethylhexane-1,2,6-triol",CC(CCC(C)(CO)O)CO,"InChI=1S/C8H18O3/c1-7(5-9)3-4-8(2,11)6-10/h7,9-11H,3-6H2,1-2H3",ZLCKVFFTASJQTA-UHFFFAOYSA-N,C8H18O3,162.23,162.1255944,-0.1,60.7,106,0,3,3,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-Hexanol, 3-propyl-",,3028594,3-propylhexan-1-ol,CCCC(CCC)CCO,"InChI=1S/C9H20O/c1-3-5-9(6-4-2)7-8-10/h9-10H,3-8H2,1-2H3",MHJIVMDBOGBUHH-UHFFFAOYSA-N,C9H20O,144.25,144.1514153,3.4,20.2,55,0,1,1,6,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
4-Hexen-3-ol,,5366234,(E)-hex-4-en-3-ol,CCC(/C=C/C)O,"InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3,5-7H,4H2,1-2H3/b5-3+",KWUXUOPPQQMMIL-HWKANZROSA-N,C6H12O,100.16,100.088815,1.3,20.2,57,0,1,1,2,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Lactonitrile, 2-(trifluoromethyl)-",,274400,"3,3,3-trifluoro-2-hydroxy-2-methylpropanenitrile",CC(C#N)(C(F)(F)F)O,"InChI=1S/C4H4F3NO/c1-3(9,2-8)4(5,6)7/h9H,1H3",XDCMNDCKYSQKAX-UHFFFAOYSA-N,C4H4F3NO,139.08,139.0244982,0.7,44,155,0,1,5,0,9,,,1,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"Malonamic acid, N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-2-(3-thenyl)-, disodium salt, (2S,5R,6R)-",,75367,3-amino-3-oxopropanoic acid,C(C(=O)N)C(=O)O,"InChI=1S/C3H5NO3/c4-2(5)1-3(6)7/h1H2,(H2,4,5)(H,6,7)",CGJMROBVSBIBKP-UHFFFAOYSA-N,C3H5NO3,103.08,103.026943,-1.5,80.4,98,0,2,3,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Nickel oxide, (Ni2O3), nanoparticles",,14805,oxonickel,O=[Ni],InChI=1S/Ni.O,GNRSAWUEBMWBQH-UHFFFAOYSA-N,NiO,74.693,73.930256,,17.1,2,0,0,1,0,2,,,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,1,0
"Norvaline, 2-methyl-",,134529,(2S)-2-amino-2-methylpentanoic acid,CCC[C@@](C)(C(=O)O)N,"InChI=1S/C6H13NO2/c1-3-4-6(2,7)5(8)9/h3-4,7H2,1-2H3,(H,8,9)/t6-/m0/s1",HBJGLYBWNNQMOW-LURJTMIESA-N,C6H13NO2,131.17,131.0946287,-1.9,63.3,114,0,2,3,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Oxalacetic acid, methoxy-, diethyl ester",,3029623,diethyl 2-methoxy-3-oxobutanedioate,CCOC(=O)C(C(=O)C(=O)OCC)OC,"InChI=1S/C9H14O6/c1-4-14-8(11)6(10)7(13-3)9(12)15-5-2/h7H,4-5H2,1-3H3",XDJKITMFBNRHKX-UHFFFAOYSA-N,C9H14O6,218.2,218.0790382,0.7,78.9,247,0,0,6,8,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Pentanesulfonyl chloride, 5-fluoro-",,3029710,5-fluoropentane-1-sulfonyl chloride,C(CCF)CCS(=O)(=O)Cl,"InChI=1S/C5H10ClFO2S/c6-10(8,9)5-3-1-2-4-7/h1-5H2",PJUGRUHVPVYZRK-UHFFFAOYSA-N,C5H10ClFO2S,188.65,188.0074066,1.8,42.5,161,0,0,3,5,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"Pentanoic acid, 5-fluoro-, sodium salt",,23694697,sodium 5-fluoropentanoate,C(CCF)CC(=O)[O-].[Na+],"InChI=1S/C5H9FO2.Na/c6-4-2-1-3-5(7)8;/h1-4H2,(H,7,8);/q;+1/p-1",GAHFBNMBDLKTSL-UHFFFAOYSA-M,C5H8FNaO2,142.1,142.0406019,,40.1,77,0,0,3,4,9,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Penten-1-ol, 2-methyl-5-((1S,3R,4R,7R)-1,3,7-trimethyl-2-oxabicyclo(2.2.1)hept-3-yl)-, (2E)-rel-",,5364920,(E)-pent-2-en-1-ol,CC/C=C/CO,"InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3+",BTSIZIIPFNVMHF-ONEGZZNKSA-N,C5H10O,86.13,86.07316494,0.9,20.2,39,0,1,1,2,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Phosphoarginine, nitrosated",,92150,(2S)-2-amino-5-[[amino-(phosphonoamino)methylidene]amino]pentanoic acid,C(C[C@@H](C(=O)O)N)CN=C(N)NP(=O)(O)O,"InChI=1S/C6H15N4O5P/c7-4(5(11)12)2-1-3-9-6(8)10-16(13,14)15/h4H,1-3,7H2,(H,11,12)(H5,8,9,10,13,14,15)/t4-/m0/s1",CCTIOCVIZPCTGO-BYPYZUCNSA-N,C6H15N4O5P,254.18,254.0780066,-5.4,171,314,0,6,7,7,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propanesulfonamide, N-(2-(4-(4-cyanophenyl)phenyl)propyl)-",,3549191,propane-2-sulfonamide,CC(C)S(=O)(=O)N,"InChI=1S/C3H9NO2S/c1-3(2)7(4,5)6/h3H,1-2H3,(H2,4,5,6)",SJMCLWCCNYAWRQ-UHFFFAOYSA-N,C3H9NO2S,123.18,123.0353997,-0.3,68.5,130,0,1,3,1,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Propanethiol, 3-fluoro-",,3030914,3-fluoropropane-1-thiol,C(CF)CS,"InChI=1S/C3H7FS/c4-2-1-3-5/h5H,1-3H2",RXUKMWGETCFZCU-UHFFFAOYSA-N,C3H7FS,94.15,94.02524956,1.2,1,16,0,1,2,2,5,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Propanimidamide, 3-(((2-((aminoiminomethyl)amino)-4-thiazolyl)methyl)thio)-N-(aminosulfonyl)-,mixed with sodium nitrite",,415117,propanimidamide,CCC(=N)N,"InChI=1S/C3H8N2/c1-2-3(4)5/h2H2,1H3,(H3,4,5)",GNFWGDKKNWGGJY-UHFFFAOYSA-N,C3H8N2,72.11,72.06874826,-0.3,49.9,40,0,2,1,1,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Propene, 1-methoxy-2-methyl-1-(trimethylsilyloxy)-",,552336,(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane,CC(=C(OC)O[Si](C)(C)C)C,"InChI=1S/C8H18O2Si/c1-7(2)8(9-3)10-11(4,5)6/h1-6H3",JNOGVQJEBGEKMG-UHFFFAOYSA-N,C8H18O2Si,174.31,174.1076063,,18.5,152,0,0,2,3,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Propionamide, 2-methyl-2-methylthio-",,3031130,"2,2-dimethylpropanethioamide",CC(C)(C)C(=S)N,"InChI=1S/C5H11NS/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7)",FJZJUSOFGBXHCV-UHFFFAOYSA-N,C5H11NS,117.22,117.0612205,1.1,58.1,80,0,1,1,1,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Propionamidoxime, 2,2'-azinobis(N-(p-(bis(2-chloroethyl)amino)phenyl)-",,6521662,N'-hydroxypropanimidamide,CC/C(=N/O)/N,"InChI=1S/C3H8N2O/c1-2-3(4)5-6/h6H,2H2,1H3,(H2,4,5)",RLZPCFQNZGINRP-UHFFFAOYSA-N,C3H8N2O,88.11,88.06366288,-0.1,58.6,59,0,2,2,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Sodium sulfide, trihydrate",,14804,disodium;sulfide,[Na+].[Na+].[S-2],InChI=1S/2Na.S/q2*+1;-2,GRVFOGOEDUUMBP-UHFFFAOYSA-N,Na2S,78.05,77.95160974,,1,0,0,0,1,0,3,,"Very high (USCG, 1999)",1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Tetraphosphoric acid, hexakis(2-ethylhexyl) ester",,197147,[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate,OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O,"InChI=1S/H6O13P4/c1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h(H,7,8)(H,9,10)(H2,1,2,3)(H2,4,5,6)",YDHWWBZFRZWVHO-UHFFFAOYSA-N,H6O13P4,337.94,337.8758882,-5.4,217,402,0,6,13,6,17,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Valeronitrile, 5,5-dimethyl-3-oxo-",,3032223,5-methyl-3-oxohexanenitrile,CC(C)CC(=O)CC#N,"InChI=1S/C7H11NO/c1-6(2)5-7(9)3-4-8/h6H,3,5H2,1-2H3",MWTCJTAGNBZWSO-UHFFFAOYSA-N,C7H11NO,125.17,125.084064,1.1,40.9,140,0,0,2,3,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4-BUTANETRIOL, TRINITRATE",006659-60-5,522216,"1,4-dinitrooxybutan-2-yl nitrate",C(CO[N+](=O)[O-])C(CO[N+](=O)[O-])O[N+](=O)[O-],"InChI=1S/C4H7N3O9/c8-5(9)14-2-1-4(16-7(12)13)3-15-6(10)11/h4H,1-3H2",RDLIBIDNLZPAQD-UHFFFAOYSA-N,C4H7N3O9,241.11,241.0182288,1.5,165,251,0,0,9,6,16,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
LEAD AZIDE,013424-46-9,61600,diazidolead,[N-]=[N+]=N[Pb]N=[N+]=[N-],InChI=1S/2N3.Pb/c2*1-3-2;/q2*-1;+2,ISEQAARZRCDNJH-UHFFFAOYSA-N,N6Pb,291,291.9951,,28.7,107,0,0,4,2,7,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"NITROGUANIDINE, MOISTENED WITH WATER, APPROXIMATELY 20%",000556-88-7,86287517,1-nitroguanidine,C(=N)(N)N[N+](=O)[O-],"InChI=1S/CH4N4O2/c2-1(3)4-5(6)7/h(H4,2,3,4)",IDCPFAYURAQKDZ-UHFFFAOYSA-N,CH4N4O2,104.07,104.0334254,-0.8,108,92,0,3,3,1,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Nitramide, nitro-, ammonium salt",140456-78-6,10219428,azanium dinitroazanide,[NH4+].[N-]([N+](=O)[O-])[N+](=O)[O-],InChI=1S/N3O4.H3N/c4-2(5)1-3(6)7;/h;1H3/q-1;/p+1,BRUFJXUJQKYQHA-UHFFFAOYSA-O,H4N4O4,124.06,124.0232546,,93.6,72,0,1,5,0,8,,,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1
ETHYLENE,000074-85-1,6325,ethene,C=C,InChI=1S/C2H4/c1-2/h1-2H2,VGGSQFUCUMXWEO-UHFFFAOYSA-N,C2H4,28.05,28.03130013,1.2,0,0,0,0,0,0,2,"-213 °F (approx.) (USCG, 1999)","-154.7 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
CARBONYL SULFIDE,000463-58-1,10039,sulfanylidenemethanone,C(=O)=S,InChI=1S/COS/c2-1-3,JJWKPURADFRFRB-UHFFFAOYSA-N,COS,60.08,59.96698579,1.5,49.2,27,0,0,2,0,3,,-50 °C,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GERMANE,007782-65-2,23984,germane,[GeH4],InChI=1S/GeH4/h1H4,QUZPNFFHZPRKJD-UHFFFAOYSA-N,GeH4,76.66,77.9524779,,0,0,0,0,0,0,1,Flammable gas,"-127 °F at 760 mmHg (NIOSH, 2024)",0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ISOBUTYLENE,000115-11-7,8255,2-methylprop-1-ene,CC(=C)C,"InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3",VQTUBCCKSQIDNK-UHFFFAOYSA-N,C4H8,56.11,56.06260026,2.1,0,23,0,0,0,0,4,"-105 °F (NTP, 1992)","19.6 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,2-DIMETHYL PROPANE",000463-82-1,10041,"2,2-dimethylpropane",CC(C)(C)C,"InChI=1S/C5H12/c1-5(2,3)4/h1-4H3",CRSOQBOWXPBRES-UHFFFAOYSA-N,C5H12,72.15,72.09390038,2.5,0,15,0,0,0,0,5,less than 19.4 °F,9.5 °C,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
METHANE-D2,000676-55-1,10866248,dideuteriomethane,[2H]C[2H],InChI=1S/CH4/h1H4/i1D2,VNWKTOKETHGBQD-DICFDUPASA-N,CH4,18.055,18.04385362,0.6,0,0,0,0,0,0,1,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Ethane-D6,001632-99-1,137127,"1,1,1,2,2,2-hexadeuterioethane",[2H]C([2H])([2H])C([2H])([2H])[2H],"InChI=1S/C2H6/c1-2/h1-2H3/i1D3,2D3",OTMSDBZUPAUEDD-WFGJKAKNSA-N,C2H6,36.11,36.08461067,1.3,0,0,0,0,0,0,2,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"METHANE-13C,D4",002644-20-4,12242916,tetradeuterio(113C)methane,[2H][13C]([2H])([2H])[2H],InChI=1S/CH4/h1H4/i1+1D4,VNWKTOKETHGBQD-PPVWBSHVSA-N,CH4,21.05976195,21.05976195,0.6,0,0,0,0,0,0,1,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-BUTADIENE, 1,1,2,3,4,4-HEXAFLUORO-",000685-63-2,69636,"1,1,2,3,4,4-hexafluorobuta-1,3-diene",C(=C(F)F)(C(=C(F)F)F)F,InChI=1S/C4F6/c5-1(3(7)8)2(6)4(9)10,LGPPATCNSOSOQH-UHFFFAOYSA-N,C4F6,162.03,161.990419,1.8,0,160,0,0,6,1,10,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
FLUOROETHENE,000075-02-5,6339,fluoroethene,C=CF,"InChI=1S/C2H3F/c1-2-3/h2H,1H2",XUCNUKMRBVNAPB-UHFFFAOYSA-N,C2H3F,46.04,46.02187826,1,0,10,0,0,1,0,3,Flammable gas,"-98 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0
ETHYLAMINE,000075-04-7,6341,ethanamine,CCN,"InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3",QUSNBJAOOMFDIB-UHFFFAOYSA-N,C2H7N,45.08,45.05784923,-0.3,26,2,0,1,1,0,3,"less than 0 °F (NTP, 1992)","61.9 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
AMMONIA-15N,013767-16-3,107639,azane,[15NH3],InChI=1S/H3N/h1H3/i1+1,QGZKDVFQNNGYKY-OUBTZVSYSA-N,H3N,18.024,18.02358399,-0.7,1,0,0,1,1,0,1,,,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
AMMONIA,007664-41-7,222,azane,N,InChI=1S/H3N/h1H3,QGZKDVFQNNGYKY-UHFFFAOYSA-N,H3N,17.031,17.0265491,-0.7,1,0,0,1,1,0,1,132 °C (270 °F) - closed cup,"-28.03 °F at 760 mmHg (EPA, 1998)",1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRANS-2-PENTENE,000646-04-8,5326161,(E)-pent-2-ene,CC/C=C/C,"InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3+",QMMOXUPEWRXHJS-HWKANZROSA-N,C5H10,70.13,70.07825032,2.1,0,27,0,0,0,1,5,"less than -4 °F (NFPA, 2010)",36.3 °C,0,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,2-DICHLOROETHANE-D4",017060-07-0,12197860,"1,2-dichloro-1,1,2,2-tetradeuterioethane",[2H]C([2H])(C([2H])([2H])Cl)Cl,"InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2/i1D2,2D2",WSLDOOZREJYCGB-LNLMKGTHSA-N,C2H4Cl2,102.98,101.9941125,1.5,0,6,0,0,0,1,4,,,0,0,1,1,0,1,0,1,1,0,0,0,0,0,0,0,1,0,0,1
(2H4)ACETALDEHYDE,001632-89-9,123124,"1,2,2,2-tetradeuterioethanone",[2H]C(=O)C([2H])([2H])[2H],"InChI=1S/C2H4O/c1-2-3/h2H,1H3/i1D3,2D",IKHGUXGNUITLKF-MZCSYVLQSA-N,C2H4O,48.08,48.05132173,-0.3,17.1,10,0,0,1,0,3,,,0,0,0,1,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1
1-CHLOROPROPYLENE,000590-21-6,11536,1-chloroprop-1-ene,CC=CCl,"InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3",OWXJKYNZGFSVRC-UHFFFAOYSA-N,C3H5Cl,76.52,76.0079779,1.7,0,22,0,0,0,0,4,"less than 21 °F (NFPA, 2010)",35-36 °C,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,2-DIFLUOROETHANE",000624-72-6,12223,"1,2-difluoroethane",C(CF)F,InChI=1S/C2H4F2/c3-1-2-4/h1-2H2,AHFMSNDOYCFEPH-UHFFFAOYSA-N,C2H4F2,66.05,66.02810645,0.9,0,6,0,0,2,1,4,,26 °C,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-METHYLOCTANE,002216-33-3,16664,3-methyloctane,CCCCCC(C)CC,"InChI=1S/C9H20/c1-4-6-7-8-9(3)5-2/h9H,4-8H2,1-3H3",SEEOMASXHIJCDV-UHFFFAOYSA-N,C9H20,128.25,128.1565006,4.8,0,48,0,0,0,5,9,,,1,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
ISOPROPYL-D7-AMINE,,12203880,"1,1,1,2,3,3,3-heptadeuteriopropan-2-amine",[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N,"InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3/i1D3,2D3,3D",JJWLVOIRVHMVIS-YYWVXINBSA-N,C3H9N,66.15,66.11743651,0.1,26,10,0,1,1,0,4,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
VINYLIDENE CHLORIDE,000075-35-4,6366,"1,1-dichloroethene",C=C(Cl)Cl,InChI=1S/C2H2Cl2/c1-2(3)4/h1H2,LGXVIGDEPROXKC-UHFFFAOYSA-N,C2H2Cl2,96.94,95.9533555,2.3,0,27,0,0,0,0,4,"14 °F (NTP, 1992)","89.1 °F at 760 mmHg (NTP, 1992)",0,0,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0
ACETONITRILE,000075-05-8,6342,acetonitrile,CC#N,InChI=1S/C2H3N/c1-2-3/h1H3,WEVYAHXRMPXWCK-UHFFFAOYSA-N,C2H3N,41.05,41.0265491,0,23.8,29,0,0,1,0,3,"42 °F (NTP, 1992)","178.9 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
HEXANE,000110-54-3,8058,hexane,CCCCCC,"InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3",VLKZOEOYAKHREP-UHFFFAOYSA-N,C6H14,86.18,86.10955045,3.9,0,12,0,0,0,3,6,"-9.4 °F (NTP, 1992)","156 °F at 760 mmHg (NTP, 1992)",0,0,0,0,1,0,1,0,1,0,0,0,0,1,0,0,1,0,1,1
PROPIONALDEHYDE,000123-38-6,527,propanal,CCC=O,"InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3",NBBJYMSMWIIQGU-UHFFFAOYSA-N,C3H6O,58.08,58.04186481,0.6,17.1,17,0,0,1,1,4,"15 °F (NTP, 1992)","120 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ACETYL CHLORIDE,000075-36-5,6367,acetyl chloride,CC(=O)Cl,InChI=1S/C2H3ClO/c1-2(3)4/h1H3,WETWJCDKMRHUPV-UHFFFAOYSA-N,C2H3ClO,78.5,77.9872424,0.8,17.1,33,0,0,1,0,4,"40 °F (NTP, 1992)","123.6 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
N-BUTYL CHLORIDE,000109-69-3,8005,1-chlorobutane,CCCCCl,"InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3",VFWCMGCRMGJXDK-UHFFFAOYSA-N,C4H9Cl,92.57,92.039278,2.6,0,13,0,0,0,2,5,"20 °F (NTP, 1992)","173.3 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
DIETHYL KETONE,000096-22-0,7288,pentan-3-one,CCC(=O)CC,"InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3",FDPIMTJIUBPUKL-UHFFFAOYSA-N,C5H10O,86.13,86.07316494,0.9,17.1,41,0,0,1,2,6,"55 °F (USCG, 1999)","216 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
N-PROPYL CHLORIDE,000540-54-5,10899,1-chloropropane,CCCCl,"InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3",SNMVRZFUUCLYTO-UHFFFAOYSA-N,C3H7Cl,78.54,78.0236279,2,0,7,0,0,0,1,4,"0 °F (USCG, 1999)","115 to 117 °F at 760 mmHg (USCG, 1999)",0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
ALLYL CHLORIDE,000107-05-1,7850,3-chloroprop-1-ene,C=CCCl,"InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2",OSDWBNJEKMUWAV-UHFFFAOYSA-N,C3H5Cl,76.52,76.0079779,1.5,0,17,0,0,0,1,4,"-25 °F (NTP, 1992)","113 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,1,0,1,1,0,1,0,0,0,0,0,1,0,1,1
CHLOROPRENE,000126-99-8,31369,"2-chlorobuta-1,3-diene",C=CC(=C)Cl,"InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2",YACLQRRMGMJLJV-UHFFFAOYSA-N,C4H5Cl,88.53,88.0079779,2.3,0,54,0,0,0,1,5,"-4 °F (NTP, 1992)","138.9 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,1,0,1,1,0,0,0,0,0,0,0,1,0,1,1
METHYL CHLOROMETHYL ETHER,000107-30-2,7864,chloro(methoxy)methane,COCCl,"InChI=1S/C2H5ClO/c1-4-2-3/h2H2,1H3",XJUZRXYOEPSWMB-UHFFFAOYSA-N,C2H5ClO,80.51,80.0028925,0.8,9.2,10,0,0,1,1,4,"32 °F (EPA, 1998)","138 °F at 760 mmHg (EPA, 1998)",0,1,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0
METHYL PROPYL KETONE,000107-87-9,7895,pentan-2-one,CCCC(=O)C,"InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3",XNLICIUVMPYHGG-UHFFFAOYSA-N,C5H10O,86.13,86.07316494,0.9,17.1,47,0,0,1,2,6,"45 °F (NTP, 1992)","212 to 214 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
1-OCTENE,000111-66-0,8125,oct-1-ene,CCCCCCC=C,"InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3",KWKAKUADMBZCLK-UHFFFAOYSA-N,C8H16,112.21,112.1252005,4.6,0,46,0,0,0,5,8,"70 °F (USCG, 1999)","250.3 °F at 760 mmHg (USCG, 1999)",0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
"2,2-DIMETHOXYPROPANE",000077-76-9,6495,"2,2-dimethoxypropane",CC(C)(OC)OC,"InChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3",HEWZVZIVELJPQZ-UHFFFAOYSA-N,C5H12O2,104.15,104.0837296,0.6,18.5,44,0,0,2,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,3-DICHLOROPROPENE",000078-88-6,6565,"2,3-dichloroprop-1-ene",C=C(CCl)Cl,InChI=1S/C3H4Cl2/c1-3(5)2-4/h1-2H2,FALCMQXTWHPRIH-UHFFFAOYSA-N,C3H4Cl2,110.97,109.9690055,1.9,0,40,0,0,0,1,5,"50 °F (NTP, 1992)","201 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,1,1,0,1,0,0,0,0,0,1,0,0,1
BORANE-TRIETHYLAMINE COMPLEX,001722-26-5,6330188,,[B].CCN(CC)CC,"InChI=1S/C6H15N.B/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;",VEWFZHAHZPVQES-UHFFFAOYSA-N,C6H15BN,112,112.1297546,,3.2,25,0,0,1,3,8,,,0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
"2,2-DICHLOROPROPANE",000594-20-7,11660,"2,2-dichloropropane",CC(C)(Cl)Cl,"InChI=1S/C3H6Cl2/c1-3(2,4)5/h1-2H3",ZEOVXNVKXIPWMS-UHFFFAOYSA-N,C3H6Cl2,112.98,111.9846556,2.1,0,27,0,0,0,0,5,,,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"N,N-DIISOPROPYLETHYLAMINE",007087-68-5,81531,N-ethyl-N-propan-2-ylpropan-2-amine,CCN(C(C)C)C(C)C,"InChI=1S/C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3",JGFZNNIVVJXRND-UHFFFAOYSA-N,C8H19N,129.24,129.1517496,2.2,3.2,59,0,0,1,3,9,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
ISOBUTYRALDEHYDE,000078-84-2,6561,2-methylpropanal,CC(C)C=O,"InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3",AMIMRNSIRUDHCM-UHFFFAOYSA-N,C4H8O,72.11,72.05751487,0.8,17.1,30,0,0,1,1,5,"-40 °F (NTP, 1992)","147 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
TRANS-2-HEXENE,004050-45-7,639661,(E)-hex-2-ene,CCC/C=C/C,"InChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+",RYPKRALMXUUNKS-HWKANZROSA-N,C6H12,84.16,84.09390038,2.6,0,35,0,0,0,2,6,,Boiling point: 67.9 °C /2-Hexene (E)/; 68.8 °C /2-Hexene (Z)/; 67.1 °C /3-Hexene (E)/; 66.4 °C /3-Hexene (Z)/,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
HEXACHLORODISILANE,013465-77-5,83497,trichloro(trichlorosilyl)silane,[Si]([Si](Cl)(Cl)Cl)(Cl)(Cl)Cl,"InChI=1S/Cl6Si2/c1-7(2,3)8(4,5)6",LXEXBJXDGVGRAR-UHFFFAOYSA-N,Cl6Si2,268.9,267.764019,,0,61,0,0,0,0,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
ISOPROPYL SULFIDE,000625-80-9,12264,2-propan-2-ylsulfanylpropane,CC(C)SC(C)C,"InChI=1S/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3",XYWDPYKBIRQXQS-UHFFFAOYSA-N,C6H14S,118.24,118.0816216,2.8,25.3,33,0,0,1,2,7,,120.00 to 122.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TRIETHYLGALLIUM,001115-99-7,66198,triethylgallane,CC[Ga](CC)CC,"InChI=1S/3C2H5.Ga/c3*1-2;/h3*1H2,2H3;",RGGPNXQUMRMPRA-UHFFFAOYSA-N,C6H15Ga,156.91,156.04295,,0,25,0,0,0,3,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
ETHYL FORMATE,000109-94-4,8025,ethyl formate,CCOC=O,"InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3",WBJINCZRORDGAQ-UHFFFAOYSA-N,C3H6O2,74.08,74.03677943,0.5,26.3,26,0,0,2,2,5,"-4 °F (USCG, 1999)","129.6 °F at 760 mmHg (USCG, 1999)",0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
ETHYNYLTRIMETHYLSILANE,001066-54-2,66111,ethynyl(trimethyl)silane,C[Si](C)(C)C#C,"InChI=1S/C5H10Si/c1-5-6(2,3)4/h1H,2-4H3",CWMFRHBXRUITQE-UHFFFAOYSA-N,C5H10Si,98.22,98.05517685,,0,77,0,0,0,1,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-METHYL-2-PENTENE,000625-27-4,12243,2-methylpent-2-ene,CCC=C(C)C,"InChI=1S/C6H12/c1-4-5-6(2)3/h5H,4H2,1-3H3",JMMZCWZIJXAGKW-UHFFFAOYSA-N,C6H12,84.16,84.09390038,2.7,0,47,0,0,0,1,6,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
4-BROMO-1-BUTANOL,033036-62-3,118388,4-bromobutan-1-ol,C(CCBr)CO,"InChI=1S/C4H9BrO/c5-3-1-2-4-6/h6H,1-4H2",SIJLYRDVTMMSIP-UHFFFAOYSA-N,C4H9BrO,153.02,151.98368,0.6,20.2,23,0,1,1,3,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ISOPROPENYL ACETATE,000108-22-5,7916,prop-1-en-2-yl acetate,CC(=C)OC(=O)C,"InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3",HETCEOQFVDFGSY-UHFFFAOYSA-N,C5H8O2,100.12,100.0524295,1,26.3,94,0,0,2,2,7,"60 °F (NFPA, 2010)",97 °C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
TRANS-4-OCTENE,014850-23-8,5357253,(E)-oct-4-ene,CCC/C=C/CCC,"InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+",IRUCBBFNLDIMIK-BQYQJAHWSA-N,C8H16,112.21,112.1252005,3.6,0,45,0,0,0,4,8,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
METHYL CHLOROFORMATE,000079-22-1,6586,methyl carbonochloridate,COC(=O)Cl,InChI=1S/C2H3ClO2/c1-5-2(3)4/h1H3,XMJHPCRAQCTCFT-UHFFFAOYSA-N,C2H3ClO2,94.5,93.982157,1.2,26.3,42,0,0,2,1,5,"54 °F (EPA, 1998)","160 °F at 760 mmHg (EPA, 1998)",0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
TETRAKIS(DIMETHYLAMINO)TITANIUM,003275-24-9,123185,tetrakis(dimethylazanide);titanium(4+),C[N-]C.C[N-]C.C[N-]C.C[N-]C.[Ti+4],InChI=1S/4C2H6N.Ti/c4*1-3-2;/h4*1-2H3;/q4*-1;+4,MNWRORMXBIWXCI-UHFFFAOYSA-N,C8H24N4Ti,224.17,224.1480375,,4,24,0,0,4,0,13,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
2-ETHYL-1-BUTENE,000760-21-4,12970,3-methylidenepentane,CCC(=C)CC,"InChI=1S/C6H12/c1-4-6(3)5-2/h3-5H2,1-2H3",RYKZRKKEYSRDNF-UHFFFAOYSA-N,C6H12,84.16,84.09390038,2.9,0,38,0,0,0,2,6,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1
"2,5-DIMETHYLHEXANE",000592-13-2,11592,"2,5-dimethylhexane",CC(C)CCC(C)C,"InChI=1S/C8H18/c1-7(2)5-6-8(3)4/h7-8H,5-6H2,1-4H3",UWNADWZGEHDQAB-UHFFFAOYSA-N,C8H18,114.23,114.1408506,4,0,36,0,0,0,3,8,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
ISOBUTYL VINYL ETHER,000109-53-5,7992,1-ethenoxy-2-methylpropane,CC(C)COC=C,"InChI=1S/C6H12O/c1-4-7-5-6(2)3/h4,6H,1,5H2,2-3H3",OZCMOJQQLBXBKI-UHFFFAOYSA-N,C6H12O,100.16,100.088815,2.2,9.2,48,0,0,1,3,7,"15 °F (NFPA, 2010)",,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
CIS-2-PENTENE,000627-20-3,5326160,(Z)-pent-2-ene,CC/C=C\C,"InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3-",QMMOXUPEWRXHJS-HYXAFXHYSA-N,C5H10,70.13,70.07825032,2.1,0,27,0,0,0,1,5,"less than -4 °F (NFPA, 2010)",36.9 °C,0,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
VINYL BUTYRATE,000123-20-6,31247,ethenyl butanoate,CCCC(=O)OC=C,"InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h4H,2-3,5H2,1H3",MEGHWIAOTJPCHQ-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,1.4,26.3,86,0,0,2,4,8,"68 °F (NFPA, 2010)",,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
ALLYL ETHYL ETHER,000557-31-3,11191,3-ethoxyprop-1-ene,CCOCC=C,"InChI=1S/C5H10O/c1-3-5-6-4-2/h3H,1,4-5H2,2H3",OJPSFJLSZZTSDF-UHFFFAOYSA-N,C5H10O,86.13,86.07316494,1.1,9.2,32,0,0,1,3,6,"less than -19 °F (NFPA, 2010)",,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TRIMETHYLIODOMETHANE,000558-17-8,11206,2-iodo-2-methylpropane,CC(C)(C)I,"InChI=1S/C4H9I/c1-4(2,3)5/h1-3H3",ANGGPYSFTXVERY-UHFFFAOYSA-N,C4H9I,184.02,183.9749,2.7,0,25,0,0,0,0,5,,,1,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TRANS-2-PENTENAL,001576-87-0,5364752,(E)-pent-2-enal,CC/C=C/C=O,"InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3+",DTCCTIQRPGSLPT-ONEGZZNKSA-N,C5H8O,84.12,84.05751487,1,17.1,55,0,0,1,2,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-OCTYNE,000629-05-0,12370,oct-1-yne,CCCCCCC#C,"InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3",UMIPWJGWASORKV-UHFFFAOYSA-N,C8H14,110.2,110.1095504,3.5,0,73,0,0,0,4,8,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
2-METHYL-2-NITROPROPANE,000594-70-7,11672,2-methyl-2-nitropropane,CC(C)(C)[N+](=O)[O-],"InChI=1S/C4H9NO2/c1-4(2,3)5(6)7/h1-3H3",AIMREYQYBFBEGQ-UHFFFAOYSA-N,C4H9NO2,103.12,103.0633285,1.2,45.8,76,0,0,2,0,7,,,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,1,0,0,1
BUTYL METHANOATE,000592-84-7,11614,butyl formate,CCCCOC=O,"InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3",NMJJFJNHVMGPGM-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,1.4,26.3,43,0,0,2,4,7,"64 °F (USCG, 1999)","224.6 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
(R)-(+)-2-AMINO-3-METHYLBUTANE,034701-33-2,6999786,(2R)-3-methylbutan-2-amine,C[C@H](C(C)C)N,"InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3/t5-/m1/s1",JOZZAIIGWFLONA-RXMQYKEDSA-N,C5H13N,87.16,87.10479942,1,26,32,0,1,1,1,6,,,0,0,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
"ACRYLONITRILE (D3, 98%) (+0.1% 4-METHOXYPHENOL)",053807-26-4,12196257,"2,3,3-trideuterioprop-2-enenitrile",[2H]C(=C([2H])C#N)[2H],"InChI=1S/C3H3N/c1-2-3-4/h2H,1H2/i1D2,2D",NLHHRLWOUZZQLW-FUDHJZNOSA-N,C3H3N,56.08,56.04537934,0.2,23.8,54,0,0,1,0,4,,,0,1,1,1,0,1,1,1,1,0,0,0,0,1,0,0,1,1,0,1
"3,3-DIMETHYL-2-BUTANONE",000075-97-8,6416,"3,3-dimethylbutan-2-one",CC(=O)C(C)(C)C,"InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3",PJGSXYOJTGTZAV-UHFFFAOYSA-N,C6H12O,100.16,100.088815,1.2,17.1,76,0,0,1,1,7,23 °C,106.1 °C,0,0,1,1,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1
2-ETHYLBUTYRALDEHYDE,000097-96-1,7359,2-ethylbutanal,CCC(CC)C=O,"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3",UNNGUFMVYQJGTD-UHFFFAOYSA-N,C6H12O,100.16,100.088815,1.5,17.1,46,0,0,1,3,7,"70 °F (NFPA, 2010)",116.00 to 117.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
N-METHYLBUTYLAMINE,000110-68-9,8068,N-methylbutan-1-amine,CCCCNC,"InChI=1S/C5H13N/c1-3-4-5-6-2/h6H,3-5H2,1-2H3",QCOGKXLOEWLIDC-UHFFFAOYSA-N,C5H13N,87.16,87.10479942,1.3,12,19,0,1,1,3,6,"55 °F (NFPA, 2010)",91 °C,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"2,2,2-TRIFUOROETHYL METHACRYLATE",000352-87-4,9608,"2,2,2-trifluoroethyl 2-methylprop-2-enoate",CC(=C)C(=O)OCC(F)(F)F,"InChI=1S/C6H7F3O2/c1-4(2)5(10)11-3-6(7,8)9/h1,3H2,2H3",QTKPMCIBUROOGY-UHFFFAOYSA-N,C6H7F3O2,168.11,168.039814,2.7,26.3,171,0,0,5,3,11,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,1-DIETHOXYTRIMETHYLAMINE",001188-33-6,70913,"1,1-diethoxy-N,N-dimethylmethanamine",CCOC(N(C)C)OCC,"InChI=1S/C7H17NO2/c1-5-9-7(8(3)4)10-6-2/h7H,5-6H2,1-4H3",BWKAYBPLDRWMCJ-UHFFFAOYSA-N,C7H17NO2,147.22,147.1259288,1,21.7,70,0,0,3,5,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL)ETHYL ESTER",002160-89-6,75096,"1,1,1,3,3,3-hexafluoropropan-2-yl prop-2-enoate",C=CC(=O)OC(C(F)(F)F)C(F)(F)F,"InChI=1S/C6H4F6O2/c1-2-3(13)14-4(5(7,8)9)6(10,11)12/h2,4H,1H2",MNSWITGNWZSAMC-UHFFFAOYSA-N,C6H4F6O2,222.08,222.0115483,3,26.3,213,0,0,8,3,14,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIETHENYL-1,1,3,3-TETRAMETHYLDISILOXANE",002627-95-4,75819,ethenyl-[ethenyl(dimethyl)silyl]oxy-dimethylsilane,C[Si](C)(C=C)O[Si](C)(C)C=C,"InChI=1S/C8H18OSi2/c1-7-10(3,4)9-11(5,6)8-2/h7-8H,1-2H2,3-6H3",BITPLIXHRASDQB-UHFFFAOYSA-N,C8H18OSi2,186.4,186.0896183,,9.2,143,0,0,1,4,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,1,0,0,1,0,0,1
2-METHYL-3-BUTENENITRILE,016529-56-9,27909,2-methylbut-3-enenitrile,CC(C=C)C#N,"InChI=1S/C5H7N/c1-3-5(2)4-6/h3,5H,1H2,2H3",WBAXCOMEMKANRN-UHFFFAOYSA-N,C5H7N,81.12,81.05784923,1.3,23.8,85,0,0,1,1,6,"less than 71 °F (NTP, 1992)",,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"N-METHYL-ETHANAMINE, HAFNIUM(4+) SALT (4:1)",352535-01-4,4103752,ethyl(methyl)azanide;hafnium(4+),CC[N-]C.CC[N-]C.CC[N-]C.CC[N-]C.[Hf+4],"InChI=1S/4C3H8N.Hf/c4*1-3-4-2;/h4*3H2,1-2H3;/q4*-1;+4",NPEOKFBCHNGLJD-UHFFFAOYSA-N,C12H32HfN4,410.9,412.20926,,4,50,0,0,4,4,17,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
DIETHYL-D10-AMINE,120092-66-2,13000365,"1,1,2,2,2-pentadeuterio-N-(1,1,2,2,2-pentadeuterioethyl)ethanamine",[2H]C([2H])([2H])C([2H])([2H])NC([2H])([2H])C([2H])([2H])[2H],"InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3/i1D3,2D3,3D2,4D2",HPNMFZURTQLUMO-MWUKXHIBSA-N,C4H11N,83.2,83.15191682,0.6,12,11,0,1,1,2,5,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
TRIETHYLETHYNYLSILANE,001777-03-3,637947,triethyl(ethynyl)silane,CC[Si](CC)(CC)C#C,"InChI=1S/C8H16Si/c1-5-9(6-2,7-3)8-4/h1H,6-8H2,2-4H3",FWSPXZXVNVQHIF-UHFFFAOYSA-N,C8H16Si,140.3,140.102127,,0,106,0,0,0,4,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-BROMO-3,3-DIMETHYLBUTANE",001647-23-0,137137,"1-bromo-3,3-dimethylbutane",CC(C)(C)CCBr,"InChI=1S/C6H13Br/c1-6(2,3)4-5-7/h4-5H2,1-3H3",ROKZAMCDHKVZIQ-UHFFFAOYSA-N,C6H13Br,165.07,164.02006,3.1,0,42,0,0,0,2,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,1,2,2,2-PENTAFLUOROETHYL 2,2,2-TRIFLUOROETHYL ETHER",016627-68-2,2776662,"1,1,2,2-tetrafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane",C(C(C(F)F)(F)F)OC(C(F)F)(F)F,"InChI=1S/C5H4F8O/c6-2(7)4(10,11)1-14-5(12,13)3(8)9/h2-3H,1H2",HCBRSIIGBBDDCD-UHFFFAOYSA-N,C5H4F8O,232.07,232.01344,3.2,9.2,179,0,0,9,5,14,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
(TERT-BUTYLDIMETHYLSILYL) ACETYLENE,086318-61-8,2757281,tert-butyl-ethynyl-dimethylsilane,CC(C)(C)[Si](C)(C)C#C,"InChI=1S/C8H16Si/c1-7-9(5,6)8(2,3)4/h1H,2-6H3",RTYNRTUKJVYEIE-UHFFFAOYSA-N,C8H16Si,140.3,140.102127,,0,140,0,0,0,2,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
ACETYL CHLORIDE-13C2,089186-79-8,12214087,acetyl chloride,[13CH3][13C](=O)Cl,"InChI=1S/C2H3ClO/c1-2(3)4/h1H3/i1+1,2+1",WETWJCDKMRHUPV-ZDOIIHCHSA-N,C2H3ClO,80.48,79.9939521,0.8,17.1,33,0,0,1,0,4,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
CIS-2-HEXENE,007688-21-3,643835,(Z)-hex-2-ene,CCC/C=C\C,"InChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3-",RYPKRALMXUUNKS-HYXAFXHYSA-N,C6H12,84.16,84.09390038,2.6,0,35,0,0,0,2,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,4-DIMETHYLDISILETHANE",004405-22-5,15810336,,C[Si]CC[Si]C,"InChI=1S/C4H10Si2/c1-5-3-4-6-2/h3-4H2,1-2H3",ZVAUGYMORQSGPT-UHFFFAOYSA-N,C4H10Si2,114.29,114.0321034,,0,17,0,0,0,3,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"CARBONIC ACID, METHYL 2,2,2-TRIFLUOROETHYL ESTER",156783-95-8,17761042,"methyl 2,2,2-trifluoroethyl carbonate",COC(=O)OCC(F)(F)F,"InChI=1S/C4H5F3O3/c1-9-3(8)10-2-4(5,6)7/h2H2,1H3",GBPVMEKUJUKTBA-UHFFFAOYSA-N,C4H5F3O3,158.08,158.0190785,1.6,35.5,119,0,0,6,3,10,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,1
"1,1-DIMETHOXYETHYL(DIMETHYL)AMINE",018871-66-4,87835,"1,1-dimethoxy-N,N-dimethylethanamine",CC(N(C)C)(OC)OC,"InChI=1S/C6H15NO2/c1-6(8-4,9-5)7(2)3/h1-5H3",FBZVZUSVGKOWHG-UHFFFAOYSA-N,C6H15NO2,133.19,133.1102787,0.4,21.7,79,0,0,3,3,9,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
METHYL PENT-4-YNOATE,021565-82-2,543061,methyl pent-4-ynoate,COC(=O)CCC#C,"InChI=1S/C6H8O2/c1-3-4-5-6(7)8-2/h1H,4-5H2,2H3",WCSNOLUUFIWIHY-UHFFFAOYSA-N,C6H8O2,112.13,112.0524295,0.6,26.3,118,0,0,2,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ISOPROPYL CHLOROFORMATE,000108-23-6,7917,propan-2-yl carbonochloridate,CC(C)OC(=O)Cl,"InChI=1S/C4H7ClO2/c1-3(2)7-4(5)6/h3H,1-2H3",IVRIRQXJSNCSPQ-UHFFFAOYSA-N,C4H7ClO2,122.55,122.0134572,2,26.3,70,0,0,2,2,7,"60.1 °F (EPA, 1998)","220 °F at 761 mmHg (EPA, 1998)",0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,0
"ETHANAMINE, 2-ETHOXY-",000110-76-9,66970,2-ethoxyethanamine,CCOCCN,"InChI=1S/C4H11NO/c1-2-6-4-3-5/h2-5H2,1H3",BPGIOCZAQDIBPI-UHFFFAOYSA-N,C4H11NO,89.14,89.08406397,-0.5,35.3,23,0,1,2,3,6,,,0,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"PROPANE, 1-ISOCYANATO-",000110-78-1,61033,1-isocyanatopropane,CCCN=C=O,"InChI=1S/C4H7NO/c1-2-3-5-4-6/h2-3H2,1H3",OQURWGJAWSLGQG-UHFFFAOYSA-N,C4H7NO,85.1,85.05276385,1.9,29.4,63,0,0,2,2,6,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,1,0,1,1,0,1
"PROPANOIC ACID, PENTAFLUORO-, METHYL ESTER",000378-75-6,9783,"methyl 2,2,3,3,3-pentafluoropropanoate",COC(=O)C(C(F)(F)F)(F)F,"InChI=1S/C4H3F5O2/c1-11-2(10)3(5,6)4(7,8)9/h1H3",JMKJCPUVEMZGEC-UHFFFAOYSA-N,C4H3F5O2,178.06,178.0053201,1.8,26.3,160,0,0,7,2,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,2,3-TRIMETHYLBUTANE",000464-06-2,10044,"2,2,3-trimethylbutane",CC(C)C(C)(C)C,"InChI=1S/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3",ZISSAWUMDACLOM-UHFFFAOYSA-N,C7H16,100.2,100.1252005,3.3,0,45,0,0,0,1,7,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
ACETYL IODIDE,000507-02-8,10483,acetyl iodide,CC(=O)I,InChI=1S/C2H3IO/c1-2(3)4/h1H3,LEKJTGQWLAUGQA-UHFFFAOYSA-N,C2H3IO,169.95,169.92286,0.8,17.1,33,0,0,1,0,4,,,0,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,1,0,0,0
"CARBAMODITHIOIC ACID, MONOAMMONIUM SALT",000513-74-6,11083854,azanium carbamodithioate,C(=S)(N)[S-].[NH4+],"InChI=1S/CH3NS2.H3N/c2-1(3)4;/h(H3,2,3,4);1H3",DCYNAHFAQKMWDW-UHFFFAOYSA-N,CH6N2S2,110.21,109.9972406,,60.1,27,0,2,2,0,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-ETHYLHEXANE,000619-99-8,12096,3-ethylhexane,CCCC(CC)CC,"InChI=1S/C8H18/c1-4-7-8(5-2)6-3/h8H,4-7H2,1-3H3",SFRKSDZMZHIISH-UHFFFAOYSA-N,C8H18,114.23,114.1408506,4.3,0,35,0,0,0,4,8,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1
"1,5-HEXADIENE, 2,5-DIMETHYL-",000627-58-7,12322,"2,5-dimethylhexa-1,5-diene",CC(=C)CCC(=C)C,"InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h1,3,5-6H2,2,4H3",DSAYAFZWRDYBQY-UHFFFAOYSA-N,C8H14,110.2,110.1095504,3.7,0,84,0,0,0,3,8,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"PROPANE, 2-(ETHENYLOXY)-2-METHYL-",000926-02-3,70220,2-ethenoxy-2-methylpropane,CC(C)(C)OC=C,"InChI=1S/C6H12O/c1-5-7-6(2,3)4/h5H,1H2,2-4H3",PGYJSURPYAAOMM-UHFFFAOYSA-N,C6H12O,100.16,100.088815,1.8,9.2,59,0,0,1,2,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
CHLORO(1-METHYLETHYL)-MAGNESIUM,001068-55-9,101955,magnesium;propane;chloride,C[CH-]C.[Mg+2].[Cl-],"InChI=1S/C3H7.ClH.Mg/c1-3-2;;/h3H,1-2H3;1H;/q-1;;+2/p-1",IUYHWZFSGMZEOG-UHFFFAOYSA-M,C3H7ClMg,102.84,102.0086696,,0,6,0,0,2,0,5,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"1-BUTYNE, 3-CHLORO-3-METHYL-",001111-97-3,70679,3-chloro-3-methylbut-1-yne,CC(C)(C#C)Cl,"InChI=1S/C5H7Cl/c1-4-5(2,3)6/h1H,2-3H3",QSILYWCNPOLKPN-UHFFFAOYSA-N,C5H7Cl,102.56,102.0236279,1.5,0,83,0,0,0,0,6,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"PENTANAL, 4-METHYL-",001119-16-0,129,4-methylpentanal,CC(C)CCC=O,"InChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3",JGEGJYXHCFUMJF-UHFFFAOYSA-N,C6H12O,100.16,100.088815,1.3,17.1,48,0,0,1,3,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"ALUMINUM, CHLORODIMETHYL-",001184-58-3,79147,chloro(dimethyl)alumane,C[Al](C)Cl,InChI=1S/2CH3.Al.ClH/h2*1H3;;1H/q;;+1;/p-1,JGHYBJVUQGTEEB-UHFFFAOYSA-M,C2H6AlCl,92.5,91.9973413,,0,13,0,0,0,0,4,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"ALUMINUM, ETHOXYDIETHYL-",001586-92-1,16683109,ethoxy(diethyl)alumane,CCO[Al](CC)CC,"InChI=1S/C2H5O.2C2H5.Al/c1-2-3;2*1-2;/h2H2,1H3;2*1H2,2H3;/q-1;;;+1",GCPCLEKQVMKXJM-UHFFFAOYSA-N,C6H15AlO,130.16,130.0938285,,9.2,43,0,0,1,4,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"SILANETETRAMINE, OCTAMETHYL-",001624-01-7,74194,N-methyl-N-[tris(dimethylamino)silyl]methanamine,CN(C)[Si](N(C)C)(N(C)C)N(C)C,"InChI=1S/C8H24N4Si/c1-9(2)13(10(3)4,11(5)6)12(7)8/h1-8H3",SSCVMVQLICADPI-UHFFFAOYSA-N,C8H24N4Si,204.39,204.1770233,,13,119,0,0,4,4,13,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
BROMOETHENYLMAGNESIUM,001826-67-1,74584,magnesium;ethene;bromide,C=[CH-].[Mg+2].[Br-],"InChI=1S/C2H3.BrH.Mg/c1-2;;/h1H,2H2;1H;/q-1;;+2/p-1",RMGJCSHZTFKPNO-UHFFFAOYSA-M,C2H3BrMg,131.25,129.92685,,0,6,0,0,2,0,4,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"2-BUTANAMINE, N-ETHYL-3-METHYL-",002738-06-9,102873,N-ethyl-3-methylbutan-2-amine,CCNC(C)C(C)C,"InChI=1S/C7H17N/c1-5-8-7(4)6(2)3/h6-8H,5H2,1-4H3",FQBQBRBAJDVVOH-UHFFFAOYSA-N,C7H17N,115.22,115.1360995,1.9,12,50,0,1,1,3,8,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"SILANEDIAMINE, HEXAMETHYL-",003768-58-9,77384,N-[dimethylamino(dimethyl)silyl]-N-methylmethanamine,CN(C)[Si](C)(C)N(C)C,"InChI=1S/C6H18N2Si/c1-7(2)9(5,6)8(3)4/h1-6H3",QULMGWCCKILBTO-UHFFFAOYSA-N,C6H18N2Si,146.31,146.1239251,,6.5,79,0,0,2,2,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"OCTANE, 3-ETHYL-",005881-17-4,79985,3-ethyloctane,CCCCCC(CC)CC,"InChI=1S/C10H22/c1-4-7-8-9-10(5-2)6-3/h10H,4-9H2,1-3H3",OEYGTUAKNZFCDJ-UHFFFAOYSA-N,C10H22,142.28,142.1721507,5.3,0,53,0,0,0,6,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-BUTENE, 2-BROMO-",013294-71-8,5364387,(E)-2-bromobut-2-ene,C/C=C(\C)/Br,"InChI=1S/C4H7Br/c1-3-4(2)5/h3H,1-2H3/b4-3+",UILZQFGKPHAAOU-ONEGZZNKSA-N,C4H7Br,135,133.97311,2.2,0,45,0,0,0,0,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"SILANE, TRIMETHYL-2-PROPYNYL-",013361-64-3,83378,trimethyl(prop-2-ynyl)silane,C[Si](C)(C)CC#C,"InChI=1S/C6H12Si/c1-5-6-7(2,3)4/h1H,6H2,2-4H3",ULYLMHUHFUQKOE-UHFFFAOYSA-N,C6H12Si,112.24,112.0708269,,0,88,0,0,0,1,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"SILANAMINE, N,N-DIETHYL-1,1-DIMETHYL-",013686-66-3,6335300,,CCN(CC)[Si](C)C,"InChI=1S/C6H16NSi/c1-5-7(6-2)8(3)4/h5-6H2,1-4H3",ADTGAVILDBXARD-UHFFFAOYSA-N,C6H16NSi,130.28,130.105201,,3.2,50,0,0,1,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
SEC-BUTYLMAGNESIUM CHLORIDE,015366-08-2,84884,magnesium;butane;chloride,CC[CH-]C.[Mg+2].[Cl-],"InChI=1S/C4H9.ClH.Mg/c1-3-4-2;;/h3H,4H2,1-2H3;1H;/q-1;;+2/p-1",YNLPNVNWHDKDMN-UHFFFAOYSA-M,C4H9ClMg,116.87,116.0243197,,0,11,0,0,2,1,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"2-PROPEN-1-AMINE, N-ETHYL-2-METHYL-",018328-90-0,87587,N-ethyl-2-methylprop-2-en-1-amine,CCNCC(=C)C,"InChI=1S/C6H13N/c1-4-7-5-6(2)3/h7H,2,4-5H2,1,3H3",AXTLFVLHXSDZOW-UHFFFAOYSA-N,C6H13N,99.17,99.10479942,1.4,12,57,0,1,1,3,7,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"1-BUTENE, 4-BROMO-3,3,4,4-TETRAFLUORO-",018599-22-9,87721,"4-bromo-3,3,4,4-tetrafluorobut-1-ene",C=CC(C(F)(F)Br)(F)F,"InChI=1S/C4H3BrF4/c1-2-3(6,7)4(5,8)9/h2H,1H2",GVCWGFZDSIWLMO-UHFFFAOYSA-N,C4H3BrF4,206.96,205.93543,3,0,120,0,0,4,2,9,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,2-ETHANEDIAMINE, N-(1-METHYLETHYL)-",019522-67-9,88098,"N'-propan-2-ylethane-1,2-diamine",CC(C)NCCN,"InChI=1S/C5H14N2/c1-5(2)7-4-3-6/h5,7H,3-4,6H2,1-2H3",KDRUIMNNZBMLJR-UHFFFAOYSA-N,C5H14N2,102.18,102.1156985,-0.3,38.1,35,0,2,2,3,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"SILANAMINE, N,N,1,1-TETRAMETHYL-",022705-32-4,6335386,,CN(C)[Si](C)C,InChI=1S/C4H12NSi/c1-5(2)6(3)4/h1-4H3,KZFNONVXCZVHRD-UHFFFAOYSA-N,C4H12NSi,102.23,102.0739009,,3.2,34,0,0,1,1,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"N-(1-METHYLETHYL)-2-PROPANAMINE, MAGNESIUM SALT",023293-23-4,10198422,magnesium bis(di(propan-2-yl)azanide),CC(C)[N-]C(C)C.CC(C)[N-]C(C)C.[Mg+2],"InChI=1S/2C6H14N.Mg/c2*1-5(2)7-6(3)4;/h2*5-6H,1-4H3;/q2*-1;+2",XDBOBNVQEBSKFO-UHFFFAOYSA-N,C12H28MgN2,224.67,224.2102906,,2,33,0,0,2,4,15,,,0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"MAGNESIUM, CHLOROOCTYL-",038841-98-4,4147387,magnesium;octane;chloride,CCCCCCC[CH2-].[Mg+2].[Cl-],"InChI=1S/C8H17.ClH.Mg/c1-3-5-7-8-6-4-2;;/h1,3-8H2,2H3;1H;/q-1;;+2/p-1",HQDAZWQQKSJCTM-UHFFFAOYSA-M,C8H17ClMg,172.98,172.0869199,,0,40,0,0,2,5,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"ALUMINATE(1-), (2-ETHYL-1-HEXANOLATO)TRIS(2-PROPANOLATO)-, HYDROGEN, (T-4)-",068309-99-9,109286,aluminum;2-ethylhexan-1-olate;hydron;tris(propan-2-olate),[H+].CCCCC(CC)C[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Al+3],"InChI=1S/C8H17O.3C3H7O.Al/c1-3-5-6-8(4-2)7-9;3*1-3(2)4;/h8H,3-7H2,1-2H3;3*3H,1-2H3;/q4*-1;+3/p+1",STQWFFBMELDDQL-UHFFFAOYSA-O,C17H39AlO4,334.5,334.2663731,,92.2,63,0,1,4,5,22,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,1,1,3,3-PENTAFLUOROBUTANE",000406-58-6,67884,"1,1,1,3,3-pentafluorobutane",CC(CC(F)(F)F)(F)F,"InChI=1S/C4H5F5/c1-3(5,6)2-4(7,8)9/h2H2,1H3",WZLFPVPRZGTCKP-UHFFFAOYSA-N,C4H5F5,148.07,148.031141,2.7,0,91,0,0,5,1,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
TRIMETHYLPHOSPHINE,000594-09-2,68983,trimethylphosphane,CP(C)C,InChI=1S/C3H9P/c1-4(2)3/h1-3H3,YWWDBCBWQNCYNR-UHFFFAOYSA-N,C3H9P,76.08,76.04418729,-0.1,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ETHYL VINYL ETHER,000109-92-2,8023,ethenoxyethane,CCOC=C,"InChI=1S/C4H8O/c1-3-5-4-2/h3H,1,4H2,2H3",FJKIXWOMBXYWOQ-UHFFFAOYSA-N,C4H8O,72.11,72.05751487,1,9.2,24,0,0,1,2,5,"less than -50 °F (USCG, 1999)","96 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
ALLYL ACETATE,000591-87-7,11584,prop-2-enyl acetate,CC(=O)OCC=C,"InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3",FWZUNOYOVVKUNF-UHFFFAOYSA-N,C5H8O2,100.12,100.0524295,1,26.3,76,0,0,2,3,7,"72 °F (NFPA, 2010)",103.5 °C,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"Guanidine, dodecyl-, acetate mixed with sodium nitrite (3:5)",,3520,guanidine,C(=N)(N)N,"InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)",ZRALSGWEFCBTJO-UHFFFAOYSA-N,CH5N3,59.07,59.04834717,-1.3,75.9,26,0,3,1,0,4,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TRIMETHYLSILYL ACETATE,002754-27-0,75988,trimethylsilyl acetate,CC(=O)O[Si](C)(C)C,"InChI=1S/C5H12O2Si/c1-5(6)7-8(2,3)4/h1-4H3",QHUNJMXHQHHWQP-UHFFFAOYSA-N,C5H12O2Si,132.23,132.0606562,,26.3,93,0,0,2,2,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
MOLYBDENUM METAL (SOLID),007439-98-7,23932,molybdenum,[Mo],InChI=1S/Mo,ZOKXTWBITQBERF-UHFFFAOYSA-N,Mo,95.95,97.905404,,0,0,0,0,0,0,1,,"8717 °F at 760 mmHg (NIOSH, 2024)",0,0,0,0,0,0,0,0,1,1,0,0,0,1,0,0,0,0,0,0
ACETAL,000105-57-7,7765,"1,1-diethoxyethane",CCOC(C)OCC,"InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3",DHKHKXVYLBGOIT-UHFFFAOYSA-N,C6H14O2,118.17,118.0993797,0.8,18.5,39,0,0,2,4,8,"-5 °F (USCG, 1999)","216 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
ETHYL ALCOHOL,000064-17-5,702,ethanol,CCO,"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",LFQSCWFLJHTTHZ-UHFFFAOYSA-N,C2H6O,46.07,46.04186481,-0.1,20.2,2,0,1,1,0,3,"55 °F (NTP, 1992)","173.3 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
(E)-CROTONALDEHYDE,000123-73-9,447466,(E)-but-2-enal,C/C=C/C=O,"InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+",MLUCVPSAIODCQM-NSCUHMNNSA-N,C4H6O,70.09,70.04186481,0.5,17.1,45,0,0,1,1,5,"55 °F (EPA, 1998)","219 °F at 760 mmHg (EPA, 1998)",1,1,1,1,0,0,0,1,1,0,1,0,0,0,0,0,1,0,1,1
HEXENE-1,000592-41-6,11597,hex-1-ene,CCCCC=C,"InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",LIKMAJRDDDTEIG-UHFFFAOYSA-N,C6H12,84.16,84.09390038,3.4,0,29,0,0,0,3,6,"-15 °F (USCG, 1999)","146.3 °F at 760 mmHg (USCG, 1999)",0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
ALLYLAMINE,000107-11-9,7853,prop-2-en-1-amine,C=CCN,"InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2",VVJKKWFAADXIJK-UHFFFAOYSA-N,C3H7N,57.09,57.05784923,0.1,26,17,0,1,1,1,4,"-20 °F (EPA, 1998)","131 to 136 °F at 760 mmHg (EPA, 1998)",0,1,1,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
ISOAMYL ALCOHOL,000123-51-3,31260,3-methylbutan-1-ol,CC(C)CCO,"InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3",PHTQWCKDNZKARW-UHFFFAOYSA-N,C5H12O,88.15,88.088815,1.2,20.2,25,0,1,1,2,6,"114 °F (USCG, 1999)","270 °F at 760 mmHg (USCG, 1999)",0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
DECANE,000124-18-5,15600,decane,CCCCCCCCCC,"InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3",DIOQZVSQGTUSAI-UHFFFAOYSA-N,C10H22,142.28,142.1721507,5,0,40,0,0,0,7,10,"115 °F (NTP, 1992)","345.4 °F at 760 mmHg (NTP, 1992)",0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
ETHYL MERCAPTOACETATE,000623-51-8,12185,ethyl 2-sulfanylacetate,CCOC(=O)CS,"InChI=1S/C4H8O2S/c1-2-6-4(5)3-7/h7H,2-3H2,1H3",PVBRSNZAOAJRKO-UHFFFAOYSA-N,C4H8O2S,120.17,120.0245007,0.8,27.3,62,0,1,3,3,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"N,N-DIETHYLETHYLENEDIAMINE",000100-36-7,60993,"N',N'-diethylethane-1,2-diamine",CCN(CC)CCN,"InChI=1S/C6H16N2/c1-3-8(4-2)6-5-7/h3-7H2,1-2H3",UDGSVBYJWHOHNN-UHFFFAOYSA-N,C6H16N2,116.2,116.1313485,0.2,29.3,41,0,1,2,4,8,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
BUTYL CHLOROFORMATE,000592-34-7,61140,butyl carbonochloridate,CCCCOC(=O)Cl,"InChI=1S/C5H9ClO2/c1-2-3-4-8-5(6)7/h2-4H2,1H3",NRDQFWXVTPZZAZ-UHFFFAOYSA-N,C5H9ClO2,136.58,136.0291072,2.8,26.3,72,0,0,2,4,8,"77 °F (USCG, 1999)","280.4 °F at 760 mmHg (USCG, 1999)",0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"CIS-1,4-DICHLORO-2-BUTENE",001476-11-5,6432115,"(Z)-1,4-dichlorobut-2-ene",C(/C=C\CCl)Cl,"InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1-",FQDIANVAWVHZIR-UPHRSURJSA-N,C4H6Cl2,124.99,123.9846556,1.7,0,34,0,0,0,2,6,,152.5 °C,1,1,1,1,0,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0
2-CHLOROETHYL ETHYL SULFIDE,000693-07-2,12733,1-chloro-2-ethylsulfanylethane,CCSCCCl,"InChI=1S/C4H9ClS/c1-2-6-4-3-5/h2-4H2,1H3",GBNVXYXIRHSYEG-UHFFFAOYSA-N,C4H9ClS,124.63,124.0113492,1.8,25.3,23,0,0,1,3,6,,156 °C,0,1,1,1,0,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0
DIETHYLAMINOSULFUR TRIFLUORIDE,038078-09-0,123472,N-ethyl-N-(trifluoro-lambda4-sulfanyl)ethanamine,CCN(CC)S(F)(F)F,"InChI=1S/C4H10F3NS/c1-3-8(4-2)9(5,6)7/h3-4H2,1-2H3",CSJLBAMHHLJAAS-UHFFFAOYSA-N,C4H10F3NS,161.19,161.048605,3.5,4.2,78,0,0,5,2,9,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
ACETIC-D3 ACID-D,001186-52-3,2723903,"deuterio 2,2,2-trideuterioacetate",[2H]C([2H])([2H])C(=O)O[2H],"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD",QTBSBXVTEAMEQO-GUEYOVJQSA-N,C2H4O2,64.08,64.04623635,-0.2,37.3,31,0,1,2,0,4,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
5-NONANONE,000502-56-7,10405,nonan-5-one,CCCCC(=O)CCCC,"InChI=1S/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3",WSGCRAOTEDLMFQ-UHFFFAOYSA-N,C9H18O,142.24,142.1357652,2.7,17.1,76,0,0,1,6,10,60 °C (closed cup),"370 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,1,1
METHYL CHLOROACETATE,000096-34-4,7295,methyl 2-chloroacetate,COC(=O)CCl,"InChI=1S/C3H5ClO2/c1-6-3(5)2-4/h2H2,1H3",QABLOFMHHSOFRJ-UHFFFAOYSA-N,C3H5ClO2,108.52,107.9978071,0.7,26.3,52,0,0,2,2,6,"125 °F (USCG, 1999)","266 °F at 760 mmHg (USCG, 1999)",0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
DIISOBUTYLAMINE,000110-96-3,8085,2-methyl-N-(2-methylpropyl)propan-1-amine,CC(C)CNCC(C)C,"InChI=1S/C8H19N/c1-7(2)5-9-6-8(3)4/h7-9H,5-6H2,1-4H3",NJBCRXCAPCODGX-UHFFFAOYSA-N,C8H19N,129.24,129.1517496,2.5,12,49,0,1,1,4,9,"85 °F (NTP, 1992)","282 to 284 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
MALONYL DICHLORIDE,001663-67-8,74269,propanedioyl dichloride,C(C(=O)Cl)C(=O)Cl,InChI=1S/C3H2Cl2O2/c4-2(6)1-3(5)7/h1H2,SXYFKXOFMCIXQW-UHFFFAOYSA-N,C3H2Cl2O2,140.95,139.9431847,1.5,34.1,87,0,0,2,2,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
TERT-OCTYLAMINE,000107-45-9,61017,"2,4,4-trimethylpentan-2-amine",CC(C)(C)CC(C)(C)N,"InChI=1S/C8H19N/c1-7(2,3)6-8(4,5)9/h6,9H2,1-5H3",QIJIUJYANDSEKG-UHFFFAOYSA-N,C8H19N,129.24,129.1517496,2,26,87,0,1,1,2,9,,,0,0,0,1,0,0,1,1,1,0,0,1,0,0,0,0,1,0,0,0
"N,N,N',N-TETRAMETHYL-1,3-PROPANEDIAMINE",000110-95-2,8084,"N,N,N',N'-tetramethylpropane-1,3-diamine",CN(C)CCCN(C)C,"InChI=1S/C7H18N2/c1-8(2)6-5-7-9(3)4/h5-7H2,1-4H3",DMQSHEKGGUOYJS-UHFFFAOYSA-N,C7H18N2,130.23,130.1469986,0.7,6.5,51,0,0,2,4,9,,,0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"TRIDECAFLUORO-1,1,2,2-TETRAHYDROOCTYL-1-DIMETHYLCHLOROSILANE",102488-47-1,145382,"chloro-dimethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane",C[Si](C)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cl,"InChI=1S/C10H10ClF13Si/c1-25(2,11)4-3-5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)24/h3-4H2,1-2H3",AKYGPHVLITVSJE-UHFFFAOYSA-N,C10H10ClF13Si,440.7,440.0032707,,0,482,0,0,13,7,25,,,0,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,1,0,0,0
"3,3,3-TRIFLUOROPROPAN-1-OL",002240-88-2,137512,"3,3,3-trifluoropropan-1-ol",C(CO)C(F)(F)F,"InChI=1S/C3H5F3O/c4-3(5,6)1-2-7/h7H,1-2H2",HDBGBTNNPRCVND-UHFFFAOYSA-N,C3H5F3O,114.07,114.0292493,0.4,20.2,48,0,1,4,1,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"N-METHYL-1,3-PROPANEDIAMINE",006291-84-5,80511,"N'-methylpropane-1,3-diamine",CNCCCN,"InChI=1S/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3",QHJABUZHRJTCAR-UHFFFAOYSA-N,C4H12N2,88.15,88.10004839,-0.8,38.1,21,0,2,2,3,6,"96 °F (NTP, 1992)","282 to 286 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
3-ISOCYANATO-1-PROPENE,001476-23-9,15123,3-isocyanatoprop-1-ene,C=CCN=C=O,"InChI=1S/C4H5NO/c1-2-3-5-4-6/h2H,1,3H2",HXBPYFMVGFDZFT-UHFFFAOYSA-N,C4H5NO,83.09,83.03711378,1.8,29.4,81,0,0,2,2,6,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,1,0,1,1,0,0
"3,4-HEXANEDIONE",004437-51-8,62539,"hexane-3,4-dione",CCC(=O)C(=O)CC,"InChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3",KVFQMAZOBTXCAZ-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,0.5,34.1,91,0,0,2,3,8,,123.00 to 125.00 °C. @ 760.00 mm Hg,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"METHANETHIOL, SODIUM SALT",005188-07-8,4378561,sodium methanethiolate,C[S-].[Na+],"InChI=1S/CH4S.Na/c1-2;/h2H,1H3;/q;+1/p-1",RMBAVIFYHOYIFM-UHFFFAOYSA-M,CH3NaS,70.09,69.98531555,,1,4,0,0,1,0,3,,,0,0,0,1,0,0,0,1,1,1,0,0,0,0,0,0,1,0,0,0
TETRAMETHYL-D12 ORTHOSILICATE,080396-70-9,16212519,tetrakis(trideuteriomethyl) silicate,[2H]C([2H])([2H])O[Si](OC([2H])([2H])[2H])(OC([2H])([2H])[2H])OC([2H])([2H])[2H],"InChI=1S/C4H12O4Si/c1-5-9(6-2,7-3)8-4/h1-4H3/i1D3,2D3,3D3,4D3",LFQCEHFDDXELDD-MGKWXGLJSA-N,C4H12O4Si,164.29,164.1258064,,36.9,55,0,0,4,4,9,,,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
ETHYLENE-D4-DIAMINE,037164-19-5,12200820,"1,1,2,2-tetradeuterioethane-1,2-diamine",[2H]C([2H])(C([2H])([2H])N)N,"InChI=1S/C2H8N2/c3-1-2-4/h1-4H2/i1D2,2D2",PIICEJLVQHRZGT-LNLMKGTHSA-N,C2H8N2,64.12,64.09385525,-2,52,6,0,2,2,1,4,,,0,1,0,1,0,0,0,0,1,0,0,0,0,0,1,0,1,1,0,0
N-BUTANOL (D10 98%),034193-38-9,2733134,"1,1,1,2,2,3,3,4,4-nonadeuterio-4-deuteriooxybutane",[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O[2H],"InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3/i1D3,2D2,3D2,4D2,5D",LRHPLDYGYMQRHN-NWURLDAXSA-N,C4H10O,84.18,84.1359324,0.9,20.2,13,0,1,1,2,5,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-BROMO-3-METHOXYPROPANE,036865-41-5,524551,1-bromo-3-methoxypropane,COCCCBr,"InChI=1S/C4H9BrO/c1-6-4-2-3-5/h2-4H2,1H3",CEVMYGZHEJSOHZ-UHFFFAOYSA-N,C4H9BrO,153.02,151.98368,1.2,9.2,23,0,0,1,3,6,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ETHYL ISOTHIOCYANATOFORMATE,016182-04-0,85320,ethyl N-(sulfanylidenemethylidene)carbamate,CCOC(=O)N=C=S,"InChI=1S/C4H5NO2S/c1-2-7-4(6)5-3-8/h2H2,1H3",BDTDECDAHYOJRO-UHFFFAOYSA-N,C4H5NO2S,131.16,131.0040996,2.3,70.8,128,0,0,3,2,8,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,1,0,1,1,0,1
"2,8-DECADIYNE",004116-93-2,20066,"deca-2,8-diyne",CC#CCCCCC#CC,"InChI=1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h7-10H2,1-2H3",KORPQWPYEOSKGV-UHFFFAOYSA-N,C10H14,134.22,134.1095504,3.5,0,161,0,0,0,3,10,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"METHANESULFONIC ACID, 1,1,1-TRIFLUORO-2,2,3,3,3-PENTAFLUOROPROPYL ESTER",006401-00-9,2776019,"2,2,3,3,3-pentafluoropropyl trifluoromethanesulfonate",C(C(C(F)(F)F)(F)F)OS(=O)(=O)C(F)(F)F,"InChI=1S/C4H2F8O3S/c5-2(6,3(7,8)9)1-15-16(13,14)4(10,11)12/h1H2",QHZUUSNAUOEJBB-UHFFFAOYSA-N,C4H2F8O3S,282.11,281.9596904,2.6,51.8,332,0,0,11,3,16,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"N-BUTANOL (D9, 98%)",025493-17-8,54048623,"1,1,2,2,3,3,4,4,4-nonadeuteriobutan-1-ol",[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O,"InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3/i1D3,2D2,3D2,4D2",LRHPLDYGYMQRHN-YNSOAAEFSA-N,C4H10O,83.18,83.12965565,0.9,20.2,13,0,1,1,2,5,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-METHYLVALERYL CHLORIDE,005238-27-7,107385,2-methylpentanoyl chloride,CCCC(C)C(=O)Cl,"InChI=1S/C6H11ClO/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3",MFIQXAVMTLKUJR-UHFFFAOYSA-N,C6H11ClO,134.6,134.0498427,2.8,17.1,80,0,0,1,3,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"2-PROPYN-1-OL, ACETATE",000627-09-8,69388,prop-2-ynyl acetate,CC(=O)OCC#C,"InChI=1S/C5H6O2/c1-3-4-7-5(2)6/h1H,4H2,2H3",RIZZXCJMFIGMON-UHFFFAOYSA-N,C5H6O2,98.1,98.03677943,0.2,26.3,106,0,0,2,2,7,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-BUTENAL, 3-METHYL-",000107-86-8,61020,3-methylbut-2-enal,CC(=CC=O)C,"InChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3",SEPQTYODOKLVSB-UHFFFAOYSA-N,C5H8O,84.12,84.05751487,1.2,17.1,68,0,0,1,1,6,37 °C,134 °C,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,0
"2-PENTANETHIOL, 2,4,4-TRIMETHYL-",000141-59-3,8851,"2,4,4-trimethylpentane-2-thiol",CC(C)(C)CC(C)(C)S,"InChI=1S/C8H18S/c1-7(2,3)6-8(4,5)9/h9H,6H2,1-5H3",QZLAEIZEPJAELS-UHFFFAOYSA-N,C8H18S,146.3,146.1129218,3.2,1,87,0,1,1,2,9,115 °F (46 °C) (Open cup),154-166 °C,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"BUTANOIC ACID, 2-CHLORO-3-OXO-, ETHYL ESTER",000609-15-4,11858,ethyl 2-chloro-3-oxobutanoate,CCOC(=O)C(C(=O)C)Cl,"InChI=1S/C6H9ClO3/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3",RDULEYWUGKOCMR-UHFFFAOYSA-N,C6H9ClO3,164.59,164.0240218,1.1,43.4,144,0,0,3,4,10,,,1,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"PENTANE, 2-IODO-",000637-97-8,12513,2-iodopentane,CCCC(C)I,"InChI=1S/C5H11I/c1-3-4-5(2)6/h5H,3-4H2,1-2H3",JUPBFIYJUCWJCT-UHFFFAOYSA-N,C5H11I,198.05,197.99055,3.4,0,27,0,0,0,2,6,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,1,0,1,0,0,1
"DISILANE, CHLOROPENTAMETHYL-",001560-28-7,73795,chloro-dimethyl-trimethylsilylsilane,C[Si](C)(C)[Si](C)(C)Cl,"InChI=1S/C5H15ClSi2/c1-7(2,3)8(4,5)6/h1-5H3",GJCAUTWJWBFMFU-UHFFFAOYSA-N,C5H15ClSi2,166.79,166.0400812,,0,82,0,0,0,1,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"3,7-DIMETHYL-1,6-OCTADIENE",002436-90-0,17090,"3,7-dimethylocta-1,6-diene",CC(CCC=C(C)C)C=C,"InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7,10H,1,6,8H2,2-4H3",FUDNBFMOXDUIIE-UHFFFAOYSA-N,C10H18,138.25,138.1408506,4.2,0,116,0,0,0,4,10,,,0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,1,0,0
"SILANE, DICHLOROMETHYLPROPYL-",004518-94-9,78275,dichloro-methyl-propylsilane,CCC[Si](C)(Cl)Cl,"InChI=1S/C4H10Cl2Si/c1-3-4-7(2,5)6/h3-4H2,1-2H3",GNVPGBIHGALKRR-UHFFFAOYSA-N,C4H10Cl2Si,157.11,155.9928822,,0,53,0,0,0,2,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"PEROXIDE, (1-METHYLPROPYLIDENE)BIS[(1,1-DIMETHYLPROPYL)",013653-62-8,83636,2-methyl-2-[2-(2-methylbutan-2-ylperoxy)butan-2-ylperoxy]butane,CCC(C)(C)OOC(C)(CC)OOC(C)(C)CC,"InChI=1S/C14H30O4/c1-9-12(4,5)15-17-14(8,11-3)18-16-13(6,7)10-2/h9-11H2,1-8H3",IVOIHMSMNONJSR-UHFFFAOYSA-N,C14H30O4,262.39,262.2144094,4.3,36.9,216,0,0,4,9,18,,,1,0,0,1,1,0,1,1,1,0,0,0,1,0,0,1,1,0,0,0
"PROPANAL, 3-(DIMETHYLAMINO)-2,2-DIMETHYL-",015451-14-6,84921,"3-(dimethylamino)-2,2-dimethylpropanal",CC(C)(CN(C)C)C=O,"InChI=1S/C7H15NO/c1-7(2,6-9)5-8(3)4/h6H,5H2,1-4H3",NYUOVICEZDPRBR-UHFFFAOYSA-N,C7H15NO,129.2,129.1153641,0.6,20.3,97,0,0,2,3,9,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHONOUS ACID, METHYL-, DIETHYL ESTER",015715-41-0,85063,diethoxy(methyl)phosphane,CCOP(C)OCC,"InChI=1S/C5H13O2P/c1-4-6-8(3)7-5-2/h4-5H2,1-3H3",NSSMTQDEWVTEKN-UHFFFAOYSA-N,C5H13O2P,136.13,136.0653167,0.8,18.5,43,0,0,2,4,8,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"PROPANOIC ACID, 2,2-DICHLORO-, METHYL ESTER",017640-02-7,87207,"methyl 2,2-dichloropropanoate",CC(C(=O)OC)(Cl)Cl,"InChI=1S/C4H6Cl2O2/c1-4(5,6)3(7)8-2/h1-2H3",RDYUJBOUMXIDPY-UHFFFAOYSA-N,C4H6Cl2O2,156.99,155.9744848,1.7,26.3,100,0,0,2,2,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"VANADIUM, TRIS(2-METHYL-1-PROPANOLATO)OXO-, (T-4)-",019120-62-8,29434,tris(2-methylpropan-1-ol);oxovanadium,CC(C)CO.CC(C)CO.CC(C)CO.O=[V],"InChI=1S/3C4H10O.O.V/c3*1-4(2)3-5;;/h3*4-5H,3H2,1-2H3;;",CZMNFHBVFGQLCG-UHFFFAOYSA-N,C12H30O4V,289.31,289.158367,,77.8,89,0,3,4,3,17,,,0,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"ACETONITRILE, (ETHYLAMINO)-",024426-40-2,90498,2-(ethylamino)acetonitrile,CCNCC#N,"InChI=1S/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3",VXAOLDZFARINGE-UHFFFAOYSA-N,C4H8N2,84.12,84.06874826,-0.1,35.8,59,0,1,2,2,6,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
ISONONANAMINE,027775-00-4,119716,7-methyloctan-1-amine,CC(C)CCCCCCN,"InChI=1S/C9H21N/c1-9(2)7-5-3-4-6-8-10/h9H,3-8,10H2,1-2H3",DZDVMKLYUKZMKK-UHFFFAOYSA-N,C9H21N,143.27,143.1673997,3.4,26,59,0,1,1,6,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
2-METHOXYPROPYL-1-ACETATE,070657-70-4,51132,2-methoxypropyl acetate,CC(COC(=O)C)OC,"InChI=1S/C6H12O3/c1-5(8-3)4-9-6(2)7/h5H,4H2,1-3H3",BTZVKSVLFLRBRE-UHFFFAOYSA-N,C6H12O3,132.16,132.0786442,0.4,35.5,90,0,0,3,4,9,77 °F,,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,1
"1,1-DICHLORO-2-PROPANONE",000513-88-2,10567,"1,1-dichloropropan-2-one",CC(=O)C(Cl)Cl,"InChI=1S/C3H4Cl2O/c1-2(6)3(4)5/h3H,1H3",CSVFWMMPUJDVKH-UHFFFAOYSA-N,C3H4Cl2O,126.97,125.9639201,1.3,17.1,59,0,0,1,1,6,,120 °C,1,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
2-METHYLOCTANE,003221-61-2,18591,2-methyloctane,CCCCCCC(C)C,"InChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3",ZUBZATZOEPUUQF-UHFFFAOYSA-N,C9H20,128.25,128.1565006,4.8,0,46,0,0,0,5,9,,143.20 °C. @ 760.00 mm Hg,1,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,2,3,3-TETRAFLUORO-3-(TRIFLUOROMETHOXY)PROPIONIC ACID",000377-73-1,120228,"2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoic acid",C(=O)(C(C(OC(F)(F)F)(F)F)(F)F)O,"InChI=1S/C4HF7O3/c5-2(6,1(12)13)3(7,8)14-4(9,10)11/h(H,12,13)",AGIMOOYNBDLMJV-UHFFFAOYSA-N,C4HF7O3,230.04,229.981391,2.3,46.5,232,0,1,10,3,14,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"DECENE, HYDROFORMYLATION PRODUCTS",068516-18-7,5364559,(E)-dec-2-ene,CCCCCCC/C=C/C,"InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3,5H,4,6-10H2,1-2H3/b5-3+",YKNMBTZOEVIJCM-HWKANZROSA-N,C10H20,140.27,140.1565006,5.4,0,72,0,0,0,6,10,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
N-HEXYL BROMIDE,000111-25-1,8101,1-bromohexane,CCCCCCBr,"InChI=1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3",MNDIARAMWBIKFW-UHFFFAOYSA-N,C6H13Br,165.07,164.02006,3.8,0,27,0,0,0,4,7,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
1-IODOPROPANE,000107-08-4,33643,1-iodopropane,CCCI,"InChI=1S/C3H7I/c1-2-3-4/h2-3H2,1H3",PVWOIHVRPOBWPI-UHFFFAOYSA-N,C3H7I,169.99,169.95925,2.6,0,7,0,0,0,1,4,,,0,0,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
ETHYL BUTYRATE,000105-54-4,7762,ethyl butanoate,CCCC(=O)OCC,"InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3",OBNCKNCVKJNDBV-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,1.3,26.3,68,0,0,2,4,8,"75 °F (USCG, 1999)","250 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
TRIETHYL PHOSPHITE,000122-52-1,31215,triethyl phosphite,CCOP(OCC)OCC,"InChI=1S/C6H15O3P/c1-4-7-10(8-5-2)9-6-3/h4-6H2,1-3H3",BDZBKCUKTQZUTL-UHFFFAOYSA-N,C6H15O3P,166.16,166.0758813,1.2,27.7,55,0,0,3,6,10,"115 °F (USCG, 1999)","311 °F at 760 mmHg (USCG, 1999)",0,0,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,1
2-METHYL-2-PENTANOL,000590-36-3,11543,2-methylpentan-2-ol,CCCC(C)(C)O,"InChI=1S/C6H14O/c1-4-5-6(2,3)7/h7H,4-5H2,1-3H3",WFRBDWRZVBPBDO-UHFFFAOYSA-N,C6H14O,102.17,102.1044651,1.4,20.2,48,0,1,1,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
HEXANAL,000066-25-1,6184,hexanal,CCCCCC=O,"InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3",JARKCYVAAOWBJS-UHFFFAOYSA-N,C6H12O,100.16,100.088815,1.8,17.1,41,0,0,1,4,7,"90 °F (USCG, 1999)","262 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
SEC-BUTYL SULFIDE,000626-26-6,522065,2-butan-2-ylsulfanylbutane,CCC(C)SC(C)CC,"InChI=1S/C8H18S/c1-5-7(3)9-8(4)6-2/h7-8H,5-6H2,1-4H3",IEBAOPMEYUWQPD-UHFFFAOYSA-N,C8H18S,146.3,146.1129218,3.5,25.3,53,0,0,1,4,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TERT-BUTYL SULFIDE,000107-47-1,7872,2-tert-butylsulfanyl-2-methylpropane,CC(C)(C)SC(C)(C)C,"InChI=1S/C8H18S/c1-7(2,3)9-8(4,5)6/h1-6H3",LNMBCRKRCIMQLW-UHFFFAOYSA-N,C8H18S,146.3,146.1129218,2.8,25.3,69,0,0,1,2,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TITANIUM ETHOXIDE,003087-36-3,76524,ethanolate;titanium(4+),CC[O-].CC[O-].CC[O-].CC[O-].[Ti+4],"InChI=1S/4C2H5O.Ti/c4*1-2-3;/h4*2H2,1H3;/q4*-1;+4",JMXKSZRRTHPKDL-UHFFFAOYSA-N,C8H20O4Ti,228.11,228.0840998,,92.2,2,0,0,4,0,13,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
N-METHYL-N-(TRIMETHYLSILYL)TRIFLUOROACETAMIDE,024589-78-4,32510,"2,2,2-trifluoro-N-methyl-N-trimethylsilylacetamide",CN(C(=O)C(F)(F)F)[Si](C)(C)C,"InChI=1S/C6H12F3NOSi/c1-10(12(2,3)4)5(11)6(7,8)9/h1-4H3",MSPCIZMDDUQPGJ-UHFFFAOYSA-N,C6H12F3NOSi,199.25,199.064025,,20.3,184,0,0,4,1,12,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TRIISOPROPYLSILANE,006485-79-6,6327611,,CC(C)[Si](C(C)C)C(C)C,"InChI=1S/C9H21Si/c1-7(2)10(8(3)4)9(5)6/h7-9H,1-6H3",ZGYICYBLPGRURT-UHFFFAOYSA-N,C9H21Si,157.35,157.1412522,,0,65,0,0,0,3,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-ETHOXY-2-PROPYLACETATE,054839-24-6,171378,1-ethoxypropan-2-yl acetate,CCOCC(C)OC(=O)C,"InChI=1S/C7H14O3/c1-4-9-5-6(2)10-7(3)8/h6H,4-5H2,1-3H3",LIPRQQHINVWJCH-UHFFFAOYSA-N,C7H14O3,146.18,146.0942943,0.8,35.5,101,0,0,3,5,10,53 °C c.c.,160 °C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
"TRANS-1-METHOXY-3-(TRIMETHYLSILYLOXY)-1,3-BUTADIENE",054125-02-9,5366448,"[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane",CO/C=C/C(=C)O[Si](C)(C)C,"InChI=1S/C8H16O2Si/c1-8(6-7-9-2)10-11(3,4)5/h6-7H,1H2,2-5H3/b7-6+",SHALBPKEGDBVKK-VOTSOKGWSA-N,C8H16O2Si,172.3,172.0919563,,18.5,156,0,0,2,4,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
ISOBUTYL ISOBUTYRATE,000097-85-8,7351,2-methylpropyl 2-methylpropanoate,CC(C)COC(=O)C(C)C,"InChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3",RXGUIWHIADMCFC-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,2.5,26.3,106,0,0,2,4,10,"99 °F (USCG, 1999)","299.7 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
TERT-BUTYL METHACRYLATE,000585-07-9,11448,tert-butyl 2-methylprop-2-enoate,CC(=C)C(=O)OC(C)(C)C,"InChI=1S/C8H14O2/c1-6(2)7(9)10-8(3,4)5/h1H2,2-5H3",SJMYWORNLPSJQO-UHFFFAOYSA-N,C8H14O2,142.2,142.0993797,2.5,26.3,151,0,0,2,3,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-BROMOHEPTANE,001974-04-5,16090,2-bromoheptane,CCCCCC(C)Br,"InChI=1S/C7H15Br/c1-3-4-5-6-7(2)8/h7H,3-6H2,1-2H3",HLAUCEOFCOXKNF-UHFFFAOYSA-N,C7H15Br,179.1,178.03571,3.8,0,43,0,0,0,4,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"3-BROMO-1,1,1-TRIFLUORO-2-PROPANOL",000431-34-5,220632,"3-bromo-1,1,1-trifluoropropan-2-ol",C(C(C(F)(F)F)O)Br,"InChI=1S/C3H4BrF3O/c4-1-2(8)3(5,6)7/h2,8H,1H2",VBHIIZIQRDVGDH-UHFFFAOYSA-N,C3H4BrF3O,192.96,191.93976,1.5,20.2,71,0,1,4,1,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ETHYLENE GLYCOL VINYL ETHER,000764-48-7,12995,2-ethenoxyethanol,C=COCCO,"InChI=1S/C4H8O2/c1-2-6-4-3-5/h2,5H,1,3-4H2",VUIWJRYTWUGOOF-UHFFFAOYSA-N,C4H8O2,88.11,88.05242949,0.1,29.5,34,0,1,2,3,6,,141.6 °C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
BROMOACETALDEHYDE DIMETHYL ACETAL,007252-83-7,81672,"2-bromo-1,1-dimethoxyethane",COC(CBr)OC,"InChI=1S/C4H9BrO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H3",FUSFWUFSEJXMRQ-UHFFFAOYSA-N,C4H9BrO2,169.02,167.97859,0.9,18.5,36,0,0,2,3,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-HYDROXY-2-PROPANONE,000116-09-6,8299,1-hydroxypropan-2-one,CC(=O)CO,"InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3",XLSMFKSTNGKWQX-UHFFFAOYSA-N,C3H6O2,74.08,74.03677943,-0.7,37.3,40,0,1,2,1,5,,145.00 to 146.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0
"1,2,2-TRICHLORO-1,1-DIFLUOROETHANE",000354-21-2,9630,"1,2,2-trichloro-1,1-difluoroethane",C(C(F)(F)Cl)(Cl)Cl,"InChI=1S/C2HCl3F2/c3-1(4)2(5,6)7/h1H",FQAMAOOEZDRHHB-UHFFFAOYSA-N,C2HCl3F2,169.38,167.911189,2.9,0,62,0,0,2,1,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-METHYL-1-PENTANOL,000589-35-5,11508,3-methylpentan-1-ol,CCC(C)CCO,"InChI=1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3",IWTBVKIGCDZRPL-UHFFFAOYSA-N,C6H14O,102.17,102.1044651,1.8,20.2,35,0,1,1,3,7,,151.00 to 152.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
CIS-HEX-3-EN-1-OL,000928-96-1,5281167,(Z)-hex-3-en-1-ol,CC/C=C\CCO,"InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-",UFLHIIWVXFIJGU-ARJAWSKDSA-N,C6H12O,100.16,100.088815,1.3,20.2,48,0,1,1,3,7,Flash Point: 130 °F/ 54 °C/closed cup/,156-157 °C,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"2-METHYL-2-PROPENOIC ACID, 2-PROPYN-1-YL ESTER",013861-22-8,83778,prop-2-ynyl 2-methylprop-2-enoate,CC(=C)C(=O)OCC#C,"InChI=1S/C7H8O2/c1-4-5-9-7(8)6(2)3/h1H,2,5H2,3H3",PZAWASVJOPLHCJ-UHFFFAOYSA-N,C7H8O2,124.14,124.0524295,1.2,26.3,171,0,0,2,3,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, GERMANIUM(4+) SALT",014165-55-0,86019828,ethanolate;germanium(4+),CC[O-].CC[O-].CC[O-].CC[O-].[Ge+4],"InChI=1S/4C2H5O.Ge/c4*1-2-3;/h4*2H2,1H3;/q4*-1;+4",CTCOPPBXAFHGRB-UHFFFAOYSA-N,C8H20GeO4,252.87,254.0573369,,92.2,2,0,0,4,0,13,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"CARBONIC ACID, DI-2-PROPENYL ESTER",015022-08-9,84764,bis(prop-2-enyl) carbonate,C=CCOC(=O)OCC=C,"InChI=1S/C7H10O3/c1-3-5-9-7(8)10-6-4-2/h3-4H,1-2,5-6H2",JKJWYKGYGWOAHT-UHFFFAOYSA-N,C7H10O3,142.15,142.0629942,1.8,35.5,115,0,0,3,6,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
METHYL ALPHA-BROMOISOBUTYRATE,023426-63-3,90097,methyl 2-bromo-2-methylpropanoate,CC(C)(C(=O)OC)Br,"InChI=1S/C5H9BrO2/c1-5(2,6)4(7)8-3/h1-3H3",PQUSVJVVRXWKDG-UHFFFAOYSA-N,C5H9BrO2,181.03,179.97859,1.5,26.3,98,0,0,2,2,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BUTANOIC ACID, PROPYL ESTER",000105-66-8,7770,propyl butanoate,CCCC(=O)OCCC,"InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3",HUAZGNHGCJGYNP-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,1.8,26.3,79,0,0,2,5,9,,142.00 to 143.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1-BUTANOL, 3-METHYL-, PROPANOATE",000105-68-0,7772,3-methylbutyl propanoate,CCC(=O)OCCC(C)C,"InChI=1S/C8H16O2/c1-4-8(9)10-6-5-7(2)3/h7H,4-6H2,1-3H3",XAOGXQMKWQFZEM-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,2.5,26.3,97,0,0,2,5,10,,159.00 to 161.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,2-ETHANEDIAMINE, N-PROPYL-",000111-39-7,66073,"N'-propylethane-1,2-diamine",CCCNCCN,"InChI=1S/C5H14N2/c1-2-4-7-5-3-6/h7H,2-6H2,1H3",CFNHVUGPXZUTRR-UHFFFAOYSA-N,C5H14N2,102.18,102.1156985,-0.3,38.1,29,0,2,2,4,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 1-ETHOXY-2,2,2-TRIFLUORO-",000433-27-2,9897,"1-ethoxy-2,2,2-trifluoroethanol",CCOC(C(F)(F)F)O,"InChI=1S/C4H7F3O2/c1-2-9-3(8)4(5,6)7/h3,8H,2H2,1H3",KLXJPQNHFFMLIG-UHFFFAOYSA-N,C4H7F3O2,144.09,144.039814,1,29.5,80,0,1,5,2,9,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"PENTANOIC ACID, ETHYL ESTER",000539-82-2,10882,ethyl pentanoate,CCCCC(=O)OCC,"InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3",ICMAFTSLXCXHRK-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,1.9,26.3,79,0,0,2,5,9,,144.00 to 145.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 2-METHYLPROPYL ESTER",000540-42-1,10895,2-methylpropyl propanoate,CCC(=O)OCC(C)C,"InChI=1S/C7H14O2/c1-4-7(8)9-5-6(2)3/h6H,4-5H2,1-3H3",FZXRXKLUIMKDEL-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,2.2,26.3,86,0,0,2,4,9,,66.00 to 67.00 °C. @ 60.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"3-HEPTANONE, 5-METHYL-",000541-85-5,7822,5-methylheptan-3-one,CCC(C)CC(=O)CC,"InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3",PSBKJPTZCVYXSD-UHFFFAOYSA-N,C8H16O,128.21,128.1201151,2.2,17.1,86,0,0,1,4,9,"138 °F (NIOSH, 2024)","315 °F at 760 mmHg (NIOSH, 2024)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
"3-METHYL-1-BUTANOL, NITRATE",000543-87-3,10985,3-methylbutyl nitrate,CC(C)CCO[N+](=O)[O-],"InChI=1S/C5H11NO3/c1-5(2)3-4-9-6(7)8/h5H,3-4H2,1-2H3",NTHGIYFSMNNHSC-UHFFFAOYSA-N,C5H11NO3,133.15,133.0738932,2.8,55.1,86,0,0,3,3,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"BUTANOIC ACID, 3-METHYL-, 2-METHYLPROPYL ESTER",000589-59-3,11514,2-methylpropyl 3-methylbutanoate,CC(C)CC(=O)OCC(C)C,"InChI=1S/C9H18O2/c1-7(2)5-9(10)11-6-8(3)4/h7-8H,5-6H2,1-4H3",KEBDNKNVCHQIJU-UHFFFAOYSA-N,C9H18O2,158.24,158.1306798,2.7,26.3,117,0,0,2,5,11,,168.50 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
1-PENTEN-3-OL,000616-25-1,12020,pent-1-en-3-ol,CCC(C=C)O,"InChI=1S/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3",VHVMXWZXFBOANQ-UHFFFAOYSA-N,C5H10O,86.13,86.07316494,1.1,20.2,41,0,1,1,2,6,,114.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"SULFUROUS ACID, DIETHYL ESTER",000623-81-4,12197,diethyl sulfite,CCOS(=O)OCC,"InChI=1S/C4H10O3S/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3",NVJBFARDFTXOTO-UHFFFAOYSA-N,C4H10O3S,138.19,138.0350654,0.9,54.7,65,0,0,4,4,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"FORMIC ACID, HEXYL ESTER",000629-33-4,61177,hexyl formate,CCCCCCOC=O,"InChI=1S/C7H14O2/c1-2-3-4-5-6-9-7-8/h7H,2-6H2,1H3",OUGPMNMLWKSBRI-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,2.5,26.3,61,0,0,2,6,9,,155.00 to 156.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
METHYL ESTER (Z)-13-DOCOSENOIC ACID,001120-34-9,5364423,methyl (Z)-docos-13-enoate,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC,"InChI=1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h10-11H,3-9,12-22H2,1-2H3/b11-10-",ZYNDJIBBPLNPOW-KHPPLWFESA-N,C23H44O2,352.6,352.3341306,9.8,26.3,296,0,0,2,20,25,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"HEXANE, 1,1-DIMETHOXY-",001599-47-9,74137,"1,1-dimethoxyhexane",CCCCCC(OC)OC,"InChI=1S/C8H18O2/c1-4-5-6-7-8(9-2)10-3/h8H,4-7H2,1-3H3",ZQUJUCJLDXTKKW-UHFFFAOYSA-N,C8H18O2,146.23,146.1306798,2.4,18.5,60,0,0,2,6,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-BUTANOL, 2-METHYL-, PROPANOATE",002438-20-2,102817,2-methylbutyl propanoate,CCC(C)COC(=O)CC,"InChI=1S/C8H16O2/c1-4-7(3)6-10-8(9)5-2/h7H,4-6H2,1-3H3",MVJLYXCJBPXRCY-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,2.3,26.3,99,0,0,2,5,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-METHOXYPROPANOIC ACID METHYL ESTER,003852-09-3,19710,methyl 3-methoxypropanoate,COCCC(=O)OC,"InChI=1S/C5H10O3/c1-7-4-3-5(6)8-2/h3-4H2,1-2H3",BDJSOPWXYLFTNW-UHFFFAOYSA-N,C5H10O3,118.13,118.0629942,-0.1,35.5,70,0,0,3,4,8,,,0,0,1,1,0,0,0,1,1,0,0,0,0,1,0,0,1,0,0,1
"2-PROPANOL, 1-(1-METHYLETHOXY)-",003944-36-3,19846,1-propan-2-yloxypropan-2-ol,CC(C)OCC(C)O,"InChI=1S/C6H14O2/c1-5(2)8-4-6(3)7/h5-7H,4H2,1-3H3",AFHJYKBGDDJSRR-UHFFFAOYSA-N,C6H14O2,118.17,118.0993797,0.4,29.5,52,0,1,2,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"METHANOL, METHOXY-",004461-52-3,62540,methoxymethanol,COCO,"InChI=1S/C2H6O2/c1-4-2-3/h3H,2H2,1H3",VHWYCFISAQVCCP-UHFFFAOYSA-N,C2H6O2,62.07,62.03677943,-0.5,29.5,8,0,1,2,1,4,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
2-OCTEN-4-ONE,004643-27-0,5365891,(E)-oct-2-en-4-one,CCCCC(=O)/C=C/C,"InChI=1S/C8H14O/c1-3-5-7-8(9)6-4-2/h4,6H,3,5,7H2,1-2H3/b6-4+",FMDLEUPBHMCPQV-GQCTYLIASA-N,C8H14O,126.2,126.1044651,2.1,17.1,103,0,0,1,4,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"1,8-NONADIENE",004900-30-5,78612,"nona-1,8-diene",C=CCCCCCC=C,"InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-9H2",VJHGSLHHMIELQD-UHFFFAOYSA-N,C9H16,124.22,124.1252005,4.1,0,62,0,0,0,6,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"3-BUTEN-1-OL, 3-METHYL-, ACETATE",005205-07-2,78879,3-methylbut-3-enyl acetate,CC(=C)CCOC(=O)C,"InChI=1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h1,4-5H2,2-3H3",OCUAPVNNQFAQSM-UHFFFAOYSA-N,C7H12O2,128.17,128.0837296,1.8,26.3,116,0,0,2,4,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"3-HEXENAL, (Z)-",006789-80-6,643941,(Z)-hex-3-enal,CC/C=C\CC=O,"InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3-",GXANMBISFKBPEX-ARJAWSKDSA-N,C6H10O,98.14,98.07316494,1.1,17.1,64,0,0,1,3,7,,20.00 °C. @ 0.20 mm Hg,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1-PROPENE, TETRAMER",006842-15-5,22833307,"(4E,7E,10E)-dodeca-1,4,7,10-tetraene",C/C=C/C/C=C/C/C=C/CC=C,"InChI=1S/C12H18/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4,6-7,9-10,12H,1,5,8,11H2,2H3/b6-4+,9-7+,12-10+",RCRMTWBZRLYXQC-FNCTZUPOSA-N,C12H18,162.27,162.1408506,4.3,0,170,0,0,0,6,12,"120 °F (USCG, 1999)","365 to 385 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"3-PENTEN-2-ONE, 4-[(TRIMETHYLSILYL)OXY]-",013257-81-3,6059369,(E)-4-trimethylsilyloxypent-3-en-2-one,C/C(=C\C(=O)C)/O[Si](C)(C)C,"InChI=1S/C8H16O2Si/c1-7(9)6-8(2)10-11(3,4)5/h6H,1-5H3/b8-6+",FBADCSUQBLLAHW-SOFGYWHQSA-N,C8H16O2Si,172.3,172.0919563,,26.3,177,0,0,2,3,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"5-OCTEN-2-ONE, (E)-",019093-20-0,6436498,(E)-oct-5-en-2-one,CC/C=C/CCC(=O)C,"InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4+",NBFKNCBRFJKDDR-SNAWJCMRSA-N,C8H14O,126.2,126.1044651,1.7,17.1,103,0,0,1,4,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,3-BUTADIENE, 2-(BROMOMETHYL)-",023691-13-6,90238,"2-(bromomethyl)buta-1,3-diene",C=CC(=C)CBr,"InChI=1S/C5H7Br/c1-3-5(2)4-6/h3H,1-2,4H2",KWEFLUDPRLSSTJ-UHFFFAOYSA-N,C5H7Br,147.01,145.97311,2.7,0,64,0,0,0,2,6,,,0,0,0,0,0,0,0,1,1,0,1,0,0,0,0,0,1,0,0,1
"2-HEXENOIC ACID, ETHYL ESTER, (E)-",027829-72-7,5364778,ethyl (E)-hex-2-enoate,CCC/C=C/C(=O)OCC,"InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h6-7H,3-5H2,1-2H3/b7-6+",SJRXWMQZUAOMRJ-VOTSOKGWSA-N,C8H14O2,142.2,142.0993797,2.3,26.3,116,0,0,2,5,10,,167.00 to 174.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-PENTENENITRILE, 2-METHYL-, (E)-",031551-28-7,5352201,(E)-2-methylpent-2-enenitrile,CC/C=C(\C)/C#N,"InChI=1S/C6H9N/c1-3-4-6(2)5-7/h4H,3H2,1-2H3/b6-4+",MLPZAALXVQOBFB-GQCTYLIASA-N,C6H9N,95.14,95.07349929,1.6,23.8,113,0,0,1,1,7,,153 °C.,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"GLYCINE, N,N-DIMETHYL-, ETHYL ESTER",033229-89-9,118412,ethyl 2-(dimethylamino)acetate,CCOC(=O)CN(C)C,"InChI=1S/C6H13NO2/c1-4-9-6(8)5-7(2)3/h4-5H2,1-3H3",BGCNBOFPABQGNG-UHFFFAOYSA-N,C6H13NO2,131.17,131.0946287,0.6,29.5,91,0,0,3,4,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"HEXANE, 1-CHLORO-5-METHYL-",033240-56-1,118419,1-chloro-5-methylhexane,CC(C)CCCCCl,"InChI=1S/C7H15Cl/c1-7(2)5-3-4-6-8/h7H,3-6H2,1-2H3",YESHSLGUAPTMLI-UHFFFAOYSA-N,C7H15Cl,134.65,134.0862282,3.4,0,41,0,0,0,4,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,6-OCTADIENE, 3-(1-ETHOXYETHOXY)-3,7-DIMETHYL-",040910-49-4,162027,"3-(1-ethoxyethoxy)-3,7-dimethylocta-1,6-diene",CCOC(C)OC(C)(CCC=C(C)C)C=C,"InChI=1S/C14H26O2/c1-7-14(6,11-9-10-12(3)4)16-13(5)15-8-2/h7,10,13H,1,8-9,11H2,2-6H3",ZJPKYCLAROITRY-UHFFFAOYSA-N,C14H26O2,226.35,226.1932801,4,18.5,229,0,0,2,8,16,,,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
"PROPANE, 2-(2-ETHOXYETHOXY)-2-METHYL-",051422-54-9,40007,2-(2-ethoxyethoxy)-2-methylpropane,CCOCCOC(C)(C)C,"InChI=1S/C8H18O2/c1-5-9-6-7-10-8(2,3)4/h5-7H2,1-4H3",NUNQKTCKURIZQX-UHFFFAOYSA-N,C8H18O2,146.23,146.1306798,1.3,18.5,73,0,0,2,5,10,,,0,0,1,0,0,0,0,1,1,0,0,0,0,1,0,0,1,0,1,1
"PROPANOIC ACID, 2-METHYL-, 2-ETHOXYETHYL ESTER",054396-97-3,108587,2-ethoxyethyl 2-methylpropanoate,CCOCCOC(=O)C(C)C,"InChI=1S/C8H16O3/c1-4-10-5-6-11-8(9)7(2)3/h7H,4-6H2,1-3H3",ANSOCBLHUNAGRK-UHFFFAOYSA-N,C8H16O3,160.21,160.1099444,1.4,35.5,110,0,0,3,6,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"3,4-PENTADIENOIC ACID, 2-METHYL-, ETHYL ESTER",060523-21-9,62166,"ethyl 2-methylpenta-3,4-dienoate",CCOC(=O)C(C)C=C=C,"InChI=1S/C8H12O2/c1-4-6-7(3)8(9)10-5-2/h6-7H,1,5H2,2-3H3",DDZLNKMWFGDTAX-UHFFFAOYSA-N,C8H12O2,140.18,140.0837296,1.4,26.3,155,0,0,2,4,10,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"4-PENTENOIC ACID, 3,3-DIMETHYL-, METHYL ESTER",063721-05-1,114129,"methyl 3,3-dimethylpent-4-enoate",CC(C)(CC(=O)OC)C=C,"InChI=1S/C8H14O2/c1-5-8(2,3)6-7(9)10-4/h5H,1,6H2,2-4H3",MKLKDUHMZCIBSJ-UHFFFAOYSA-N,C8H14O2,142.2,142.0993797,2,26.3,136,0,0,2,4,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-HEXENE, 1,1-DIETHOXY-, (E)-",067746-30-9,5365137,"(E)-1,1-diethoxyhex-2-ene",CCC/C=C/C(OCC)OCC,"InChI=1S/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h8-10H,4-7H2,1-3H3/b9-8+",WMQKYHTZGYIHHD-CMDGGOBGSA-N,C10H20O2,172.26,172.1463299,2.6,18.5,104,0,0,2,7,12,,76.00 °C. @ 15.00 mm Hg,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,0
"PROPANOL, 1(OR 2)-ETHOXY-, ACETATE",098516-30-4,14847874,3-ethoxypropyl acetate,CCOCCCOC(=O)C,"InChI=1S/C7H14O3/c1-3-9-5-4-6-10-7(2)8/h3-6H2,1-2H3",VXKUOGVOWWPRNM-UHFFFAOYSA-N,C7H14O3,146.18,146.0942943,0.7,35.5,90,0,0,3,6,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
ETHYL DIAZOACETATE,000623-73-4,12192,ethyl 2-diazoacetate,CCOC(=O)C=[N+]=[N-],"InChI=1S/C4H6N2O2/c1-2-8-4(7)3-6-5/h3H,2H2,1H3",YVPJCJLMRRTDMQ-UHFFFAOYSA-N,C4H6N2O2,114.1,114.0429274,0.7,28.3,126,0,0,3,3,8,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2,5-DIMETHYLHEPTANE",002216-30-0,16662,"2,5-dimethylheptane",CCC(C)CCC(C)C,"InChI=1S/C9H20/c1-5-9(4)7-6-8(2)3/h8-9H,5-7H2,1-4H3",HQZHQNKZOYIKQC-UHFFFAOYSA-N,C9H20,128.25,128.1565006,4.5,0,55,0,0,0,4,9,,,1,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
"2,3-DIMETHYLOCTANE",007146-60-3,23531,"2,3-dimethyloctane",CCCCCC(C)C(C)C,"InChI=1S/C10H22/c1-5-6-7-8-10(4)9(2)3/h9-10H,5-8H2,1-4H3",YPMNDMUOGQJCLW-UHFFFAOYSA-N,C10H22,142.28,142.1721507,5.1,0,64,0,0,0,5,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
N-BUTYL ACETATE,000123-86-4,31272,butyl acetate,CCCCOC(=O)C,"InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3",DKPFZGUDAPQIHT-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,1.8,26.3,68,0,0,2,4,8,"72 °F (NTP, 1992)","259.7 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
DIMETHYL PHOSPHITE,000868-85-9,13361,methoxyphosphonoyloxymethane,COP(=O)OC,"InChI=1S/C2H7O3P/c1-4-6(3)5-2/h6H,1-2H3",HZCDANOFLILNSA-UHFFFAOYSA-N,C2H7O3P,110.05,110.0132811,-0.5,35.5,46,0,0,3,2,6,"85 °F (NTP, 1992)","338 to 340 °F at 760 mmHg (NTP, 1992)",0,1,0,0,0,1,1,1,1,0,1,0,0,0,0,0,1,1,0,0
"3-HYDROXYBUTANOIC ACID, ETHYL ESTER",005405-41-4,62572,ethyl 3-hydroxybutanoate,CCOC(=O)CC(C)O,"InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3",OMSUIQOIVADKIM-UHFFFAOYSA-N,C6H12O3,132.16,132.0786442,0.2,46.5,90,0,1,3,4,9,"148 °F (NTP, 1992)","338 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
TETRAMETHYL LEAD,000075-74-1,6394,tetramethylplumbane,C[Pb](C)(C)C,InChI=1S/4CH3.Pb/h4*1H3;,XOOGZRUBTYCLHG-UHFFFAOYSA-N,C4H12Pb,267,268.07055,,0,19,0,0,0,0,5,"100.4 °F (EPA, 1998)","230 °F at 10 mmHg Decomposes above 212 °F (EPA, 1998)",1,1,1,1,0,0,1,0,1,0,0,0,0,1,0,0,0,0,1,0
"BUTANOIC ACID, 2-PROPENYL ESTER",002051-78-7,16324,prop-2-enyl butanoate,CCCC(=O)OCC=C,"InChI=1S/C7H12O2/c1-3-5-7(8)9-6-4-2/h4H,2-3,5-6H2,1H3",RMZIOVJHUJAAEY-UHFFFAOYSA-N,C7H12O2,128.17,128.0837296,1.6,26.3,97,0,0,2,5,9,,142.00 to 143.00 °C. @ 760.00 mm Hg,0,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"PROPANOIC ACID, 2-PROPENYL ESTER",002408-20-0,61319,prop-2-enyl propanoate,CCC(=O)OCC=C,"InChI=1S/C6H10O2/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3",XRFWKHVQMACVTA-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,1.2,26.3,86,0,0,2,4,8,,124.00 to 125.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-METHOXYETHYL ACRYLATE,003121-61-7,18392,2-methoxyethyl prop-2-enoate,COCCOC(=O)C=C,"InChI=1S/C6H10O3/c1-3-6(7)9-5-4-8-2/h3H,1,4-5H2,2H3",HFCUBKYHMMPGBY-UHFFFAOYSA-N,C6H10O3,130.14,130.0629942,0.3,35.5,98,0,0,3,5,9,"180 °F (NTP, 1992)","312.8 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,0,1,1,0,1,0,0,1,0,0,1,1,0,0
DIETHYLENE GLYCOL DIMETHYL ETHER,000111-96-6,8150,1-methoxy-2-(2-methoxyethoxy)ethane,COCCOCCOC,"InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3",SBZXBUIDTXKZTM-UHFFFAOYSA-N,C6H14O3,134.17,134.0942943,-0.4,27.7,41,0,0,3,6,9,"153 to 158 °F (NTP, 1992)","321 to 324 °F at 760 mmHg ; 241 °F at 200 mmHg; 167 °F at 35 mmHg; 68 °F at 3 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0
1-BROMO-2-(2-ETHOXYETHOXY)ETHANE,054550-36-6,7015324,1-(2-bromoethoxy)-2-ethoxyethane,CCOCCOCCBr,"InChI=1S/C6H13BrO2/c1-2-8-5-6-9-4-3-7/h2-6H2,1H3",UEDIWIFQWRXXJG-UHFFFAOYSA-N,C6H13BrO2,197.07,196.00989,1.1,18.5,50,0,0,2,6,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
3-CYANOPROPIONIC ACID METHYL ESTER,004107-62-4,77749,methyl 3-cyanopropanoate,COC(=O)CCC#N,"InChI=1S/C5H7NO2/c1-8-5(7)3-2-4-6/h2-3H2,1H3",BPSKURPOKFSLHJ-UHFFFAOYSA-N,C5H7NO2,113.11,113.0476785,-0.3,50.1,122,0,0,3,3,8,,,0,1,0,1,0,1,0,1,1,0,1,0,0,0,0,0,1,0,0,1
"PROPANENITRILE, 3-AMINO-2-METHYL-",000096-16-2,78947,3-amino-2-methylpropanenitrile,CC(CN)C#N,"InChI=1S/C4H8N2/c1-4(2-5)3-6/h4H,2,5H2,1H3",GDIMNXJSMJSDSB-UHFFFAOYSA-N,C4H8N2,84.12,84.06874826,-0.5,49.8,68,0,1,2,1,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
1-BROMO-2-OCTYNE,018495-27-7,2757087,1-bromooct-2-yne,CCCCCC#CCBr,"InChI=1S/C8H13Br/c1-2-3-4-5-6-7-8-9/h2-5,8H2,1H3",QKPBYOBXEXNWOA-UHFFFAOYSA-N,C8H13Br,189.09,188.02006,3.7,0,104,0,0,0,3,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"PROPANEDIOIC ACID, BIS(1,1-DIMETHYLETHYL) ESTER",000541-16-2,68324,ditert-butyl propanedioate,CC(C)(C)OC(=O)CC(=O)OC(C)(C)C,"InChI=1S/C11H20O4/c1-10(2,3)14-8(12)7-9(13)15-11(4,5)6/h7H2,1-6H3",CLPHAYNBNTVRDI-UHFFFAOYSA-N,C11H20O4,216.27,216.1361591,2.1,52.6,216,0,0,4,6,15,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0
"BUTANOIC ACID, 2-ACETYL-3-METHYL-, ETHYL ESTER",001522-46-9,95544,ethyl 2-acetyl-3-methylbutanoate,CCOC(=O)C(C(C)C)C(=O)C,"InChI=1S/C9H16O3/c1-5-12-9(11)8(6(2)3)7(4)10/h6,8H,5H2,1-4H3",DMIFFKCVURTPTG-UHFFFAOYSA-N,C9H16O3,172.22,172.1099444,1.7,43.4,173,0,0,3,5,12,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
EUROPIUM METAL (SOLID),007440-53-1,23981,europium,[Eu],InChI=1S/Eu,OGPBJKLSAFTDLK-UHFFFAOYSA-N,Eu,151.964,152.92124,,0,0,0,0,0,0,1,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
OCTYL SODIUM SULFATE,000142-31-4,2735107,sodium octyl sulfate,CCCCCCCCOS(=O)(=O)[O-].[Na+],"InChI=1S/C8H18O4S.Na/c1-2-3-4-5-6-7-8-12-13(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1",WFRKJMRGXGWHBM-UHFFFAOYSA-M,C8H17NaO4S,232.28,232.0745245,,74.8,198,0,0,4,8,14,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
NIOBIUM METAL (SOLID),007440-03-1,23936,niobium,[Nb],InChI=1S/Nb,GUCVJGMIXFAOAE-UHFFFAOYSA-N,Nb,92.90637,92.90637,,0,0,0,0,0,0,1,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
RHENIUM METAL (SOLID),007440-15-5,23947,rhenium,[Re],InChI=1S/Re,WUAPFZMCVAUBPE-UHFFFAOYSA-N,Re,186.207,186.955752,,0,0,0,0,0,0,1,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
ZIRCONIUM CARBIDE (POWDER),012070-14-3,11159298,methanidylidynezirconium(1+),[C-]#[Zr+],InChI=1S/C.Zr/q-1;+1,MHMXYYDKIQTOHA-UHFFFAOYSA-N,CZr,103.23,101.904699,,0,10,0,0,1,0,2,,,0,1,1,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"2,4-HEXADIYNE-1,6-DIOL",003031-68-3,94973,"hexa-2,4-diyne-1,6-diol",C(C#CC#CCO)O,"InChI=1S/C6H6O2/c7-5-3-1-2-4-6-8/h7-8H,5-6H2",JXMQYKBAZRDVTC-UHFFFAOYSA-N,C6H6O2,110.11,110.0367794,-0.7,40.5,146,0,2,2,1,8,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
POTASSIUM TERT-BUTOXIDE,000865-47-4,86639980,,CC(C)(C)O.[K],"InChI=1S/C4H10O.K/c1-4(2,3)5;/h5H,1-3H3;",XAEBTCPOZVEMHR-UHFFFAOYSA-N,C4H10KO,113.22,113.0368714,,20.2,25,0,1,1,0,6,,,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,0
HOLMIUM METAL (SOLID),007440-60-0,23988,holmium,[Ho],InChI=1S/Ho,KJZYNXUDTRRSPN-UHFFFAOYSA-N,Ho,164.93033,164.930329,,0,0,0,0,0,0,1,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
LITHIUM ISOPROPOXIDE,002388-10-5,23673350,lithium propan-2-olate,[Li+].CC(C)[O-],"InChI=1S/C3H7O.Li/c1-3(2)4;/h3H,1-2H3;/q-1;+1",HAUKUGBTJXWQMF-UHFFFAOYSA-N,C3H7LiO,66.1,66.06569328,,23.1,14,0,0,1,0,5,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0
"2,4-HEXADIYNE",002809-69-0,137727,"hexa-2,4-diyne",CC#CC#CC,InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H3,PCTCNWZFDASPLA-UHFFFAOYSA-N,C6H6,78.11,78.04695019,2.2,0,118,0,0,0,1,6,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
TUNGSTEN (VI) ETHOXIDE,062571-53-3,13828235,ethanolate;tungsten,CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[W],"InChI=1S/6C2H5O.W/c6*1-2-3;/h6*2H2,1H3;/q6*-1;",YJBCFLKOYPGFTR-UHFFFAOYSA-N,C12H30O6W-6,454.2,454.155172,,138,2,-6,0,6,0,19,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
SODIUM SULFIDE (NA2(S4)),012034-39-8,82835,,[Na+].[Na+].[S-]SS[S-],InChI=1S/2Na.H2S4/c;;1-3-4-2/h;;1-2H/q2*+1;/p-2,ZLCCLBKPLLUIJC-UHFFFAOYSA-L,Na2S4,174.2,173.8678233,,52.6,7,0,0,4,1,6,,,1,1,0,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0
IRON(3+) ETHANOLATE,005058-42-4,6452222,ethanolate;iron(3+),CC[O-].CC[O-].CC[O-].[Fe+3],"InChI=1S/3C2H5O.Fe/c3*1-2-3;/h3*2H2,1H3;/q3*-1;+3",JTPUGUWXHGEEHW-UHFFFAOYSA-N,C6H15FeO3,191.03,191.037055,,69.2,2,0,0,3,0,10,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
PENTAKIS(DIMETHYLAMINO)TANTALUM,019824-59-0,140614,pentakis(dimethylazanide);tantalum(5+),C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.[Ta+5],InChI=1S/5C2H6N.Ta/c5*1-3-2;/h5*1-2H3;/q5*-1;+5,VSLPMIMVDUOYFW-UHFFFAOYSA-N,C10H30N5Ta,401.33,401.19812,,5,30,0,0,5,0,16,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0
"ETHANEDIAL, DIOXIME",000557-30-2,135495951,N-(2-hydroxyiminoethylidene)hydroxylamine,C(=NO)C=NO,"InChI=1S/C2H4N2O2/c5-3-1-2-4-6/h1-2,5-6H",LJHFIVQEAFAURQ-UHFFFAOYSA-N,C2H4N2O2,88.07,88.02727738,0.1,65.2,57,0,2,4,1,6,,,0,1,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
CALCIUM HYPOPHOSPHITE,007789-79-9,24618,,[O-]P=O.[O-]P=O.[Ca+2],"InChI=1S/Ca.2HO2P/c;2*1-3-2/h;2*(H,1,2)/q+2;;/p-2",LITFOGPYONJRNO-UHFFFAOYSA-L,CaO4P2,166.02,165.8897733,,80.3,7,0,0,4,0,7,,>350 °C,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0
NIOBIUM HYDRIDE (NBH),013981-86-7,166960,hydride;niobium(5+),[H-].[H-].[H-].[H-].[H-].[Nb+5],InChI=1S/Nb.5H/q+5;5*-1,FBRCTMHFHUMEHP-UHFFFAOYSA-N,H5Nb,97.946,97.9455,,0,0,0,0,5,0,1,,,0,0,0,0,0,0,0,1,0,1,0,0,0,1,0,0,0,0,0,1
"1-BUTANOL, MAGNESIUM SALT",015921-15-0,167494,magnesium bis(butan-1-olate),CCCC[O-].CCCC[O-].[Mg+2],"InChI=1S/2C4H9O.Mg/c2*1-2-3-4-5;/h2*2-4H2,1H3;/q2*-1;+2",HFTSQAKJLBPKBD-UHFFFAOYSA-N,C8H18MgO2,170.53,170.1157215,,46.1,13,0,0,2,4,11,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0
"HEXANOIC ACID, 2-ETHYL-, INDIUM(3+) SALT",067816-06-2,171896,tris(2-ethylhexanoate);indium(3+),CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[In+3],"InChI=1S/3C8H16O2.In/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3",ARHIRDSNQLUBHR-UHFFFAOYSA-K,C24H45InO6,544.4,544.2254929,,120,93,0,0,6,12,31,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
RED-AL [DIHYDROBIS(2-METHOXYETHOXY)ALUMINATE],022722-98-1,89806,sodium;alumanylium;bis(2-methoxyethanolate),COCC[O-].COCC[O-].[Na+].[AlH2+],"InChI=1S/2C3H7O2.Al.Na.2H/c2*1-5-3-2-4;;;;/h2*2-3H2,1H3;;;;/q2*-1;2*+1;;",XJIQVZMZXHEYOY-UHFFFAOYSA-N,C6H16AlNaO4,202.16,202.0761667,,64.6,14,0,0,4,4,12,,,0,1,1,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
NICKEL CHROMIUM ALLOY,011106-97-1,11320920,chromium;nickel,[Cr].[Ni],InChI=1S/Cr.Ni,VNNRSPGTAMTISX-UHFFFAOYSA-N,CrNi,110.689,109.875846,,0,0,0,0,0,0,2,,,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,1,0,0
N-METHYL-N-NITROSOUREA,000684-93-5,12699,1-methyl-1-nitrosourea,CN(C(=O)N)N=O,"InChI=1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)",ZRKWMRDKSOPRRS-UHFFFAOYSA-N,C2H5N3O2,103.08,103.0381764,0,75.8,90,0,1,3,0,7,,,0,0,0,1,0,1,0,0,0,1,0,0,0,1,0,0,0,0,0,0
"D-ETHYLXANTHIC ACID, POTASSIUM SALT",000140-89-6,2735045,potassium ethoxymethanedithioate,CCOC(=S)[S-].[K+],"InChI=1S/C3H6OS2.K/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1",JCBJVAJGLKENNC-UHFFFAOYSA-M,C3H5KOS2,160.3,159.9418886,,42.3,56,0,0,3,2,7,,,0,0,1,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"CARBONODITHIOIC ACID, O-(3-METHYLBUTYL) ESTER, POTASSIUM SALT",000928-70-1,23691977,potassium 3-methylbutoxymethanedithioate,CC(C)CCOC(=S)[S-].[K+],"InChI=1S/C6H12OS2.K/c1-5(2)3-4-7-6(8)9;/h5H,3-4H2,1-2H3,(H,8,9);/q;+1/p-1",CMXOFNZFIJEFDA-UHFFFAOYSA-M,C6H11KOS2,202.4,201.9888388,,42.3,95,0,0,3,4,10,,,0,1,0,1,0,0,1,1,0,1,0,0,0,1,0,0,1,1,1,0
TANTALUM METAL (SOLID),007440-25-7,23956,tantalum,[Ta],InChI=1S/Ta,GUVRBAGPIYLISA-UHFFFAOYSA-N,Ta,180.9479,180.948,,0,0,0,0,0,0,1,>250 °C,"9797 °F at 760 mmHg (NIOSH, 2024)",0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"HYDROPEROXIDE, (1,1,4,4-TETRAMETHYL-1,4-BUTANEDIYL)BIS-",003025-88-5,520470,"2,5-dihydroperoxy-2,5-dimethylhexane",CC(C)(CCC(C)(C)OO)OO,"InChI=1S/C8H18O4/c1-7(2,11-9)5-6-8(3,4)12-10/h9-10H,5-6H2,1-4H3",JGBAASVQPMTVHO-UHFFFAOYSA-N,C8H18O4,178.23,178.1205091,0.9,58.9,115,0,2,4,5,12,,,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0
"PALLADIUM, DIAMMINEBIS(NITRITO-N)-",014852-83-6,168754,azane;palladium(2+);dinitrite,N.N.N(=O)[O-].N(=O)[O-].[Pd+2],"InChI=1S/2HNO2.2H3N.Pd/c2*2-1-3;;;/h2*(H,2,3);2*1H3;/q;;;;+2/p-2",FEVAROJZEMZJGB-UHFFFAOYSA-L,H6N4O4Pd,232.49,231.94238,,107,7,0,2,8,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,1,0,0,1,1,0,0,0
"PROPANEPEROXOIC ACID, 2,2-DIMETHYL-, 1,1-DIMETHYLETHYL ESTER",000927-07-1,61238,"tert-butyl 2,2-dimethylpropaneperoxoate",CC(C)(C)C(=O)OOC(C)(C)C,"InChI=1S/C9H18O3/c1-8(2,3)7(10)11-12-9(4,5)6/h1-6H3",OPQYOFWUFGEMRZ-UHFFFAOYSA-N,C9H18O3,174.24,174.1255944,2.5,35.5,160,0,0,3,4,12,,,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,1,1,0,1
"HEXANEPEROXOIC ACID, 3,5,5-TRIMETHYL-, 1,1-DIMETHYLETHYL ESTER",013122-18-4,114465,"tert-butyl 3,5,5-trimethylhexaneperoxoate",CC(CC(=O)OOC(C)(C)C)CC(C)(C)C,"InChI=1S/C13H26O3/c1-10(9-12(2,3)4)8-11(14)15-16-13(5,6)7/h10H,8-9H2,1-7H3",VSJBBIJIXZVVLQ-UHFFFAOYSA-N,C13H26O3,230.34,230.1881947,4.1,35.5,220,0,0,3,7,16,,,1,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,1,1,0,0
"NEOHEPTANEPEROXOIC ACID, 1,1-DIMETHYLETHYL ESTER",026748-38-9,117855,"tert-butyl 4,4-dimethylpentaneperoxoate",CC(C)(C)CCC(=O)OOC(C)(C)C,"InChI=1S/C11H22O3/c1-10(2,3)8-7-9(12)13-14-11(4,5)6/h7-8H2,1-6H3",VNJISVYSDHJQFR-UHFFFAOYSA-N,C11H22O3,202.29,202.1568946,3.2,35.5,184,0,0,3,6,14,,,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,1,1,0,0,0
"2,4-PENTANEDIONE, PEROXIDE",037187-22-7,16213740,"3-(2,4-dioxopentan-3-ylperoxy)pentane-2,4-dione",CC(=O)C(C(=O)C)OOC(C(=O)C)C(=O)C,"InChI=1S/C10H14O6/c1-5(11)9(6(2)12)15-16-10(7(3)13)8(4)14/h9-10H,1-4H3",ILENATNBFPBMHG-UHFFFAOYSA-N,C10H14O6,230.21,230.0790382,-0.5,86.7,259,0,0,6,7,16,,,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,1,1,1,0,0
"BUTANOIC ACID, 3,3-BIS[(1,1-DIMETHYLETHYL)DIOXY]-, ETHYL ESTER",055794-20-2,108769,"ethyl 3,3-bis(tert-butylperoxy)butanoate",CCOC(=O)CC(C)(OOC(C)(C)C)OOC(C)(C)C,"InChI=1S/C14H28O6/c1-9-16-11(15)10-14(8,19-17-12(2,3)4)20-18-13(5,6)7/h9-10H2,1-8H3",HARQWLDROVMFJE-UHFFFAOYSA-N,C14H28O6,292.37,292.1885886,2.5,63.2,282,0,0,6,10,20,,,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0
TERTIARYBUTYLARSINE,004262-43-5,6335187,,CC(C)(C)[As],"InChI=1S/C4H9As/c1-4(2,3)5/h1-3H3",QTQRGDBFHFYIBH-UHFFFAOYSA-N,C4H9As,132.04,131.99202,,0,25,0,0,0,0,5,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(T-4)-(N,N-DIMETHYLMETHANAMINE)TRIHYDROALUMINUM",016842-00-5,167576,"aluminum;N,N-dimethylmethanamine;hydride",[H-].[H-].[H-].CN(C)C.[Al+3],InChI=1S/C3H9N.Al.3H/c1-4(2)3;;;;/h1-3H3;;;;/q;+3;3*-1,CWARWFBHXGGPBH-UHFFFAOYSA-N,C3H12AlN,89.12,89.0785128,,3.2,8,0,0,4,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BORANE, TRIBUTYL-",000122-56-5,31216,tributylborane,B(CCCC)(CCCC)CCCC,"InChI=1S/C12H27B/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3",CMHHITPYCHHOGT-UHFFFAOYSA-N,C12H27B,182.16,182.220581,,0,72,0,0,0,9,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ALUMINUM, TETRAKIS(2-METHYLPROPYL)-.MU.-OXODI-",000998-00-5,16684086,bis(2-methylpropyl)alumanyloxy-bis(2-methylpropyl)alumane,CC(C)C[Al](CC(C)C)O[Al](CC(C)C)CC(C)C,"InChI=1S/4C4H9.2Al.O/c4*1-4(2)3;;;/h4*4H,1H2,2-3H3;;;",CTNFGBKAHAEKFE-UHFFFAOYSA-N,C16H36Al2O,298.42,298.239693,,9.2,173,0,0,1,10,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CHROMIUM OXIDE,011118-57-3,165971,bis(chromium(3+));tris(oxygen(2-)),[O-2].[O-2].[O-2].[Cr+3].[Cr+3],InChI=1S/2Cr.3O/q2*+3;3*-2,UOUJSJZBMCDAEU-UHFFFAOYSA-N,Cr2O3,151.99,151.865753,,3,0,0,0,3,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
NEODYMIUM HYDRIDE (NDH3),013864-04-5,166940,hydride;neodymium(3+),[H-].[H-].[H-].[Nd+3],InChI=1S/Nd.3H/q+3;3*-1,LKHCVNZUWDNGFE-UHFFFAOYSA-N,H3Nd,147.27,144.9312,,0,0,0,0,3,0,1,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"MAGNESIUM, BUTYLETHYL-",062202-86-2,112818,magnesium;butane;ethane,C[CH2-].CCC[CH2-].[Mg+2],"InChI=1S/C4H9.C2H5.Mg/c1-3-4-2;1-2;/h1,3-4H2,2H3;1H2,2H3;/q2*-1;+2",YHNWUQFTJNJVNU-UHFFFAOYSA-N,C6H14Mg,110.48,110.0945921,,0,8,0,0,2,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BORINIC ACID, DIETHYL-, METHYL ESTER",007397-46-8,522516,diethyl(methoxy)borane,B(CC)(CC)OC,"InChI=1S/C5H13BO/c1-4-6(5-2)7-3/h4-5H2,1-3H3",FESAXEDIWWXCNG-UHFFFAOYSA-N,C5H13BO,99.97,100.1059452,,9.2,35,0,0,1,3,7,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,1,0
ALUMINUM POWDER,007429-90-5,5359268,aluminum,[Al],InChI=1S/Al,XAGFODPZIPBFFR-UHFFFAOYSA-N,Al,26.981538,26.9815384,,0,0,0,0,0,0,1,,"4221 °F at 760 mmHg (NIOSH, 2024)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ZINC METAL (SOLID),007440-66-6,23994,zinc,[Zn],InChI=1S/Zn,HCHKCACWOHOZIP-UHFFFAOYSA-N,Zn,65.4,63.929142,,0,0,0,0,0,0,1,,907 °C,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
LITHIUM ETHOXIDE,002388-07-0,23661847,lithium ethanolate,[Li+].CC[O-],"InChI=1S/C2H5O.Li/c1-2-3;/h2H2,1H3;/q-1;+1",AZVCGYPLLBEUNV-UHFFFAOYSA-N,C2H5LiO,52,52.05004321,,23.1,6,0,0,1,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ALLYL[1,3-BIS(2,6-DIISOPROPYLPHENYL)IMIDAZOL-2-YLIDENE]CHLOROPALLADIUM(II)",478980-03-9,105144,palladium(2+),[Pd+2],InChI=1S/Pd/q+2,MUJIDPITZJWBSW-UHFFFAOYSA-N,Pd+2,106.42,105.90348,,0,0,2,0,0,0,1,,,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
ALUMINUM SULFIDE,001302-81-4,159369,dialuminum;trisulfide,[Al+3].[Al+3].[S-2].[S-2].[S-2],InChI=1S/2Al.3S/q2*+3;3*-2,COOGPNLGKIHLSK-UHFFFAOYSA-N,Al2S3,150.2,149.87929,,3,0,0,0,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CESIUM METAL,007440-46-2,5354618,cesium,[Cs],InChI=1S/Cs,TVFDJXOCXUVLDH-UHFFFAOYSA-N,Cs,132.905452,132.905452,,0,0,0,0,0,0,1,,685 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
LITHIUM NITRIDE,026134-62-3,520242,trilithium;azanide,[Li+].[Li+].[Li+].[NH2-],InChI=1S/3Li.H2N/h;;;1H2/q3*+1;-1,BHZCMUVGYXEBMY-UHFFFAOYSA-N,H2Li3N+2,36.9,37.0667344,,1,3,2,1,1,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
LITHIUM BOROHYDRIDE,016949-15-8,4148881,lithium boranuide,[Li+].[BH4-],InChI=1S/BH4.Li/h1H4;/q-1;+1,UUKMSDRCXNLYOO-UHFFFAOYSA-N,BH4Li,21.8,22.0566087,,0,2,0,0,1,0,2,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM MERCURY AMALGAM,011110-52-4,9837419,mercury;sodium,[Na].[Hg],InChI=1S/Hg.Na,MJGFBOZCAJSGQW-UHFFFAOYSA-N,HgNa,223.58,224.960413,,0,0,0,0,0,0,2,,,0,1,1,1,0,0,1,0,0,0,0,0,0,1,1,0,1,1,1,0
"NITRILOTRIACETIC ACID, TRISODIUM SALT MONOHYDRATE",018662-53-8,29194,trisodium;2-[bis(carboxylatomethyl)amino]acetate;hydrate,C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+],"InChI=1S/C6H9NO6.3Na.H2O/c8-4(9)1-7(2-5(10)11)3-6(12)13;;;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);;;;1H2/q;3*+1;/p-3",HERBOKBJKVUALN-UHFFFAOYSA-K,C6H8NNa3O7,275.1,274.9993844,,125,171,0,1,8,3,17,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ALUMINUM PHOSPHIDE,020859-73-8,16126812,aluminum phosphorus(3-),[Al+3].[P-3],InChI=1S/Al.P/q+3;-3,PGCGUUGEUBFBPP-UHFFFAOYSA-N,AlP,57.9553,57.9553004,,0,0,0,0,1,0,2,,,1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ERBIUM SULFIDE (ER2S3),012159-66-9,166638,bis(erbium(3+));trisulfide,[S-2].[S-2].[S-2].[Er+3].[Er+3],InChI=1S/2Er.3S/q2*+3;3*-2,OXBZQHVXDUNTHY-UHFFFAOYSA-N,Er2S3,430.7,429.778893,,3,0,0,0,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OXYGEN-18O2,032767-18-3,10313042,,[18O]=[18O],"InChI=1S/O2/c1-2/i1+2,2+2",MYMOFIZGZYHOMD-XPULMUKRSA-N,O2,35.99831922,35.99831922,-1.1,34.1,0,0,0,2,0,2,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CUPRIC NITRATE,003251-23-8,18616,copper dinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Cu+2],InChI=1S/Cu.2NO3/c;2*2-1(3)4/q+2;2*-1,XTVVROIMIGLXTD-UHFFFAOYSA-N,CuN2O6,187.56,186.905233,,126,18,0,0,6,0,9,,Sublimes,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
CESIUM NITRATE,007789-18-6,62674,cesium nitrate,[N+](=O)([O-])[O-].[Cs+],InChI=1S/Cs.NO3/c;2-1(3)4/q+1;-1,NLSCHDZTHVNDCP-UHFFFAOYSA-N,CsNO3,194.911,194.8932698,,62.9,18,0,0,3,0,5,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,1
BARIUM CHLORATE MONOHYDRATE,010294-38-9,6096944,barium(2+);dichlorate;hydrate,O.[O-]Cl(=O)=O.[O-]Cl(=O)=O.[Ba+2],"InChI=1S/Ba.2ClHO3.H2O/c;2*2-1(3)4;/h;2*(H,2,3,4);1H2/q+2;;;/p-2",CIADYQPMTWAHHH-UHFFFAOYSA-L,BaCl2H2O7,322.24,321.823005,,115,36,0,1,7,0,10,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CHLORIC ACID,007790-93-4,19654,chloric acid,OCl(=O)=O,"InChI=1S/ClHO3/c2-1(3)4/h(H,2,3,4)",XTEGARKTQYYJKE-UHFFFAOYSA-N,ClHO3,84.46,83.9614216,2.1,54.4,46,0,1,3,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PALLADIUM NITRATE,010102-05-3,24932,palladium(2+) dinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Pd+2],InChI=1S/2NO3.Pd/c2*2-1(3)4;/q2*-1;+2,GPNDARIEYHPYAY-UHFFFAOYSA-N,N2O6Pd,230.43,229.87912,,126,18,0,0,6,0,9,,,1,0,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,0
BARIUM PERCHLORATE,013465-95-7,61623,barium(2+) diperchlorate,[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ba+2],"InChI=1S/Ba.2ClHO4/c;2*2-1(3,4)5/h;2*(H,2,3,4,5)/q+2;;/p-2",OOULUYZFLXDWDQ-UHFFFAOYSA-L,BaCl2O8,336.23,335.802269,,149,95,0,0,8,0,11,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BARIUM OXIDE,001304-28-5,62392,oxobarium,O=[Ba],InChI=1S/Ba.O,QVQLCTNNEUAWMS-UHFFFAOYSA-N,BaO,153.33,153.900162,,17.1,2,0,0,1,0,2,,~2000 °C,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
LEAD PERCHLORATE TRIHYDRATE,013453-62-8,25021834,lead(2+);diperchlorate;trihydrate,O.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Pb+2],"InChI=1S/2ClHO4.3H2O.Pb/c2*2-1(3,4)5;;;;/h2*(H,2,3,4,5);3*1H2;/q;;;;;+2/p-2",KKGGEAQRICYXNM-UHFFFAOYSA-L,Cl2H6O11Pb,460,459.90537,,152,95,0,3,11,0,14,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
CALCIUM NITRATE TETRAHYDRATE,013477-34-4,16211656,calcium;dinitrate;tetrahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.[Ca+2],InChI=1S/Ca.2NO3.4H2O/c;2*2-1(3)4;;;;/h;;;4*1H2/q+2;2*-1;;;;,ICSSIKVYVJQJND-UHFFFAOYSA-N,CaH8N2O10,236.15,235.9804853,,130,18,0,4,10,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1
PRASEODYMIUM(III) NITRATE HEXAHYDRATE,015878-77-0,204170,praseodymium(3+);trinitrate;hexahydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[Pr+3],InChI=1S/3NO3.6H2O.Pr/c3*2-1(3)4;;;;;;;/h;;;6*1H2;/q3*-1;;;;;;;+3,LXXCECZPOWZKLC-UHFFFAOYSA-N,H12N3O15Pr,435.01,434.9345,,195,18,0,6,15,0,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SILVER PERCHLORATE, ANHYDROUS",007783-93-9,24562,silver perchlorate,[O-]Cl(=O)(=O)=O.[Ag+],"InChI=1S/Ag.ClHO4/c;2-1(3,4)5/h;(H,2,3,4,5)/q+1;/p-1",YDHABVNRCBNRNZ-UHFFFAOYSA-M,AgClO4,207.32,205.8536,,74.3,95,0,0,4,0,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
AMMONIUM PERRHENATE(VII),013598-65-7,3084163,azanium oxido(trioxo)rhenium,[NH4+].[O-][Re](=O)(=O)=O,InChI=1S/H3N.4O.Re/h1H3;;;;;/q;;;;-1;/p+1,HOJYZCWLNWENHS-UHFFFAOYSA-O,H4NO4Re,268.24,268.969785,,75.3,95,0,1,4,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CALCIUM NITRATE HYDRATE,035054-52-5,16211464,calcium;dinitrate;hydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[Ca+2],InChI=1S/Ca.2NO3.H2O/c;2*2-1(3)4;/h;;;1H2/q+2;2*-1;,JJIQGEZLLWXYKV-UHFFFAOYSA-N,CaH2N2O7,182.1,181.9487913,,127,18,0,1,7,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAMETHYL AMMONIUM NITRATE,001941-24-8,74743,tetramethylazanium nitrate,C[N+](C)(C)C.[N+](=O)([O-])[O-],"InChI=1S/C4H12N.NO3/c1-5(2,3)4;2-1(3)4/h1-4H3;/q+1;-1",QGPVYHSXZFOSRL-UHFFFAOYSA-N,C4H12N2O3,136.15,136.0847923,,62.9,37,0,0,3,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
INDIUM(III) NITRATE HYDRATE,207398-97-8,3084148,indium(3+);trinitrate;hydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[In+3],InChI=1S/In.3NO3.H2O/c;3*2-1(3)4;/h;;;;1H2/q+3;3*-1;,YZZFBYAKINKKFM-UHFFFAOYSA-N,H2InN3O10,318.85,318.877897,,190,18,0,1,10,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SILVER IODATE,007783-97-3,165642,silver iodate,[O-]I(=O)=O.[Ag+],"InChI=1S/Ag.HIO3/c;2-1(3)4/h;(H,2,3,4)/q+1;/p-1",YSVXTGDPTJIEIX-UHFFFAOYSA-M,AgIO3,282.771,281.79431,,57.2,36,0,0,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"EUROPIUM NITRATE, HYDRATE",100587-95-9,57346089,europium(3+);trinitrate;hydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[Eu+3],InChI=1S/Eu.3NO3.H2O/c;3*2-1(3)4;/h;;;;1H2/q+3;3*-1;,XLGOHVJDOSTECY-UHFFFAOYSA-N,EuH2N3O10,355.99,356.89526,,190,18,0,1,10,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LANTHANUM(III) NITRATE HYDRATE,100587-94-8,45051674,lanthanum(3+);trinitrate;hydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[La+3],InChI=1S/La.3NO3.H2O/c;3*2-1(3)4;/h;;;;1H2/q+3;3*-1;,HVMFKXBHFRRAAD-UHFFFAOYSA-N,H2LaN3O10,342.94,342.880381,,190,18,0,1,10,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IODINE CHLORIDE,000865-44-1,70076,trichloro-lambda3-iodane,ClI(Cl)Cl,InChI=1S/Cl3I/c1-4(2)3,PAWIVBWALDNUJP-UHFFFAOYSA-N,Cl3I,233.26,231.81103,3.3,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CADMIUM PERCHLORATE HEXAHYDRATE,010326-28-0,71317310,cadmium(2+);diperchlorate;hexahydrate,O.O.O.O.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Cd+2],"InChI=1S/Cd.2ClHO4.6H2O/c;2*2-1(3,4)5;;;;;;/h;2*(H,2,3,4,5);6*1H2/q+2;;;;;;;;/p-2",PQJZOTJHMRJOEM-UHFFFAOYSA-L,CdCl2H12O14,419.4,419.863775,,155,95,0,6,14,0,17,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"NITRIC ACID, SAMARIUM(3+) SALT",010361-83-8,25205,samarium(3+) trinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Sm+3],InChI=1S/3NO3.Sm/c3*2-1(3)4;/q3*-1;+3,YZDZYSPAJSPJQJ-UHFFFAOYSA-N,N3O9Sm,336.4,337.88319,,189,18,0,0,9,0,13,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
CHROMIUM (III) NITRATE,013548-38-4,24598,chromium(3+) trinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Cr+3],InChI=1S/Cr.3NO3/c;3*2-1(3)4/q+3;3*-1,PHFQLYPOURZARY-UHFFFAOYSA-N,CrN3O9,238.01,237.903958,,189,18,0,0,9,0,13,,,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"NITRIC ACID, THALLIUM(3+) SALT",013746-98-0,159690,thallium(3+) trinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Tl+3],InChI=1S/3NO3.Tl/c3*2-1(3)4;/q3*-1;+3,KLBIUKJOZFWCLW-UHFFFAOYSA-N,N3O9Tl,390.4,390.93788,,189,18,0,0,9,0,13,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
BROMINE CHLORIDE,013863-41-7,61697,,ClBr,InChI=1S/BrCl/c1-2,CODNYICXDISAEA-UHFFFAOYSA-N,BrCl,115.36,113.88719,1.8,0,2,0,0,0,0,2,,5 °C (decomposes),1,0,1,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0
"PERCHLORIC ACID, CERIUM(3+) SALT",014017-47-1,166978,cerium(3+) triperchlorate,[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ce+3],"InChI=1S/Ce.3ClHO4/c;3*2-1(3,4)5/h;3*(H,2,3,4,5)/q+3;;;/p-3",LJBTWTBUIINKRU-UHFFFAOYSA-K,CeCl3O12,438.46,436.75098,,223,95,0,0,12,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NITRIC ACID, RUTHENIUM(3+) SALT",015825-24-8,167436,ruthenium(3+) trinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Ru+3],InChI=1S/3NO3.Ru/c3*2-1(3)4;/q3*-1;+3,GTCKPGDAPXUISX-UHFFFAOYSA-N,N3O9Ru,287.1,287.867794,,189,18,0,0,9,0,13,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
YTTERBIUM(III) PERCHLORATE,013498-08-3,3084156,ytterbium(3+);triperchlorate;hydrate,O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Yb+3],"InChI=1S/3ClHO4.H2O.Yb/c3*2-1(3,4)5;;/h3*(H,2,3,4,5);1H2;/q;;;;+3/p-3",TYYKUTNLJJSRBB-UHFFFAOYSA-K,Cl3H2O13Yb,489.4,488.794966,,224,95,0,1,13,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MANGANESE (III) FLUORIDE,007783-53-1,522682,trifluoromanganese,F[Mn](F)F,InChI=1S/3FH.Mn/h3*1H;/q;;;+3/p-3,SRVINXWCFNHIQZ-UHFFFAOYSA-K,F3Mn,111.93325,111.933253,,0,8,0,0,3,0,4,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MERCURIC NITRATE,010045-94-0,24864,mercury(2+) dinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Hg+2],InChI=1S/Hg.2NO3/c;2*2-1(3)4/q+2;2*-1,ORMNPSYMZOGSSV-UHFFFAOYSA-N,HgN2O6,324.6,325.946279,,126,18,0,0,6,0,9,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
POTASSIUM PERIODATE,007790-21-8,516896,potassium periodate,[O-]I(=O)(=O)=O.[K+],"InChI=1S/HIO4.K/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1",FJVZDOGVDJCCCR-UHFFFAOYSA-M,IKO4,230,229.84784,,74.3,118,0,0,4,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM PERSULFATE,007775-27-1,62655,disodium;sulfonatooxy sulfate,[O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/2Na.H2O8S2/c;;1-9(2,3)7-8-10(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2",CHQMHPLRPQMAMX-UHFFFAOYSA-L,Na2O8S2,238.11,237.8829979,,150,206,0,0,8,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
CALCIUM PEROXIDE,001305-79-9,14779,calcium peroxide,[O-][O-].[Ca+2],InChI=1S/Ca.O2/c;1-2/q+2;-2,LHJQIRIGXXHNLA-UHFFFAOYSA-N,CaO2,72.08,71.9524201,,46.1,2,0,0,2,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM PERBORATE,007632-04-4,517072,sodium oxidooxy(oxo)borane,B(=O)O[O-].[Na+],InChI=1S/BHO3.Na/c2-1-4-3;/h3H;/q;+1/p-1,YKLJGMBLPUQQOI-UHFFFAOYSA-M,BNaO3,81.8,81.9838183,,49.4,20,0,0,3,0,5,,,0,0,1,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,1
BISMUTH NITRATE,010361-44-1,107711,bismuth trinitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Bi+3],InChI=1S/Bi.3NO3/c;3*2-1(3)4/q+3;3*-1,PPNKDDZCLDMRHS-UHFFFAOYSA-N,BiN3O9,395,394.94385,,189,18,0,0,9,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
BISMUTH SUBNITRATE,001304-85-4,73415757,pentabismuth;oxygen(2-);nonahydroxide;tetranitrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O-2].[Bi+3].[Bi+3].[Bi+3].[Bi+3].[Bi+3],InChI=1S/5Bi.4NO3.9H2O.O/c;;;;;4*2-1(3)4;;;;;;;;;;/h;;;;;;;;;9*1H2;/q5*+3;4*-1;;;;;;;;;;-2/p-9,QGWDKKHSDXWPET-UHFFFAOYSA-E,Bi5H9N4O22,1461.99,1461.87284,,262,18,0,9,22,0,31,,Decomposes at 260,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
CARBONYL FLUORIDE,000353-50-4,9623,carbonyl difluoride,C(=O)(F)F,InChI=1S/CF2O/c2-1(3)4,IYRWEQXVUNLMAY-UHFFFAOYSA-N,CF2O,66.007,65.99172094,0.8,17.1,29,0,0,3,0,4,,"-117 °F at 760 mmHg (USCG, 1999)",0,0,1,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0
SELENIUM HEXAFLUORIDE,007783-79-1,24558,,F[Se](F)(F)(F)(F)F,"InChI=1S/F6Se/c1-7(2,3,4,5)6",LMDVZDMBPZVAIV-UHFFFAOYSA-N,F6Se,192.96,193.90694,,0,62,0,0,6,0,7,,"-30 °F at 760 mmHg (NIOSH, 2024)",0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PHOSPHOROUS PENTAFLUORIDE,007647-19-0,24295,pentafluoro-lambda5-phosphane,FP(F)(F)(F)F,"InChI=1S/F5P/c1-6(2,3,4)5",OBCUTHMOOONNBS-UHFFFAOYSA-N,F5P,125.9657778,125.9657778,2.7,0,37,0,0,5,0,6,,-84.6 °C,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ARGON,007440-37-1,23968,argon,[Ar],InChI=1S/Ar,XKRFYHLGVUSROY-UHFFFAOYSA-N,Ar,39.9,39.96238312,,0,0,0,0,0,0,1,,-185.847 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
FREON 116,000076-16-4,6431,"1,1,1,2,2,2-hexafluoroethane",C(C(F)(F)F)(F)(F)F,"InChI=1S/C2F6/c3-1(4,5)2(6,7)8",WMIYKQLTONQJES-UHFFFAOYSA-N,C2F6,138.01,137.990419,2,0,61,0,0,6,0,8,,-78.1 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PENTAFLUOROETHANE,000354-33-6,9633,"1,1,1,2,2-pentafluoroethane",C(C(F)(F)F)(F)F,"InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H",GTLACDSXYULKMZ-UHFFFAOYSA-N,C2HF5,120.02,119.9998408,2.2,0,51,0,0,5,0,7,,-48.1 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CHLOROFLUOROMETHANE (HCFC 31),000593-70-4,11643,chloro(fluoro)methane,C(F)Cl,InChI=1S/CH2ClF/c2-1-3/h1H2,XWCDCDSDNJVCLO-UHFFFAOYSA-N,CH2ClF,68.48,67.9829059,1.3,0,4,0,0,1,0,3,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIFLUOROACETYL CHLORIDE,000354-32-5,61106,"2,2,2-trifluoroacetyl chloride",C(=O)(C(F)(F)F)Cl,"InChI=1S/C2ClF3O/c3-1(7)2(4,5)6",PNQBEPDZQUOCNY-UHFFFAOYSA-N,C2ClF3O,132.47,131.9589768,1.9,17.1,85,0,0,4,0,7,,-27 °C,0,0,1,0,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,1
PHOSPHOROUS TRIFLUORIDE,007783-55-3,62665,trifluorophosphane,FP(F)F,InChI=1S/F3P/c1-4(2)3,WKFBZNUBXWCCHG-UHFFFAOYSA-N,F3P,87.96897148,87.96897148,1.6,0,8,0,0,3,0,4,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CARBON DIOXIDE,000124-38-9,280,carbon dioxide,C(=O)=O,InChI=1S/CO2/c2-1-3,CURLTUGMZLYLDI-UHFFFAOYSA-N,CO2,44.009,43.98982924,0.9,34.1,18,0,0,2,0,3,Not applicable,"Sublimes (NIOSH, 2024)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PALLADIUM CHLORIDE,007647-10-1,24290,dichloropalladium,Cl[Pd]Cl,InChI=1S/2ClH.Pd/h2*1H;/q;;+2/p-2,PIBWKRNGBLPSSY-UHFFFAOYSA-L,Cl2Pd,177.32,175.84119,,0,2,0,0,0,0,3,,,1,0,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,1,0,1
HEXADECANOYL CHLORIDE,000112-67-4,8206,hexadecanoyl chloride,CCCCCCCCCCCCCCCC(=O)Cl,"InChI=1S/C16H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3",ARBOVOVUTSQWSS-UHFFFAOYSA-N,C16H31ClO,274.9,274.2063433,7.3,17.1,180,0,0,1,14,18,,199 °C @ 20 MM HG,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,1,0,0
BIS(2-CHLOROETHYL)AMINE HYDROCHLORIDE,000821-48-7,522769,2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride,C(CCl)NCCCl.Cl,"InChI=1S/C4H9Cl2N.ClH/c5-1-3-7-4-2-6;/h7H,1-4H2;1H",YMDZDFSUDFLGMX-UHFFFAOYSA-N,C4H10Cl3N,178.48,176.987882,,12,28,0,2,1,4,8,,,0,0,1,1,0,1,0,1,0,0,1,1,0,0,0,0,1,0,0,1
PERRHENIC ACID,013768-11-1,83718,hydroxy(trioxo)rhenium,O[Re](=O)(=O)=O,InChI=1S/H2O.3O.Re/h1H2;;;;/q;;;;+1/p-1,UGSFIVDHFJJCBJ-UHFFFAOYSA-M,HO4Re,251.21,251.943236,,71.4,114,0,1,4,0,5,,,0,0,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
HYDROXYMETHYLPHOSPHONIC ACID,002617-47-2,75795,hydroxymethylphosphonic acid,C(O)P(=O)(O)O,"InChI=1S/CH5O4P/c2-1-6(3,4)5/h2H,1H2,(H2,3,4,5)",GTTBQSNGUYHPNK-UHFFFAOYSA-N,CH5O4P,112.02,111.9925456,-2.2,77.8,71,0,3,4,1,6,,,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0
7-BROMOHEPTANOIC ACID,030515-28-7,121723,7-bromoheptanoic acid,C(CCCBr)CCC(=O)O,"InChI=1S/C7H13BrO2/c8-6-4-2-1-3-5-7(9)10/h1-6H2,(H,9,10)",JLPQXFFMVVPIRW-UHFFFAOYSA-N,C7H13BrO2,209.08,208.00989,1,37.3,93,0,1,2,6,10,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
HEXYLPHOSPHONIC ACID,004721-24-8,312552,hexylphosphonic acid,CCCCCCP(=O)(O)O,"InChI=1S/C6H15O3P/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3,(H2,7,8,9)",GJWAEWLHSDGBGG-UHFFFAOYSA-N,C6H15O3P,166.16,166.0758813,0.7,57.5,118,0,2,3,5,10,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"PHOSPHORODITHIOIC ACID, O,O-BIS(1-METHYLPROPYL) ESTER",000107-55-1,36561,di(butan-2-yloxy)-sulfanyl-sulfanylidene-lambda5-phosphane,CCC(C)OP(=S)(OC(C)CC)S,"InChI=1S/C8H19O2PS2/c1-5-7(3)9-11(12,13)10-8(4)6-2/h7-8H,5-6H2,1-4H3,(H,12,13)",YJNALOLHXQQOIK-UHFFFAOYSA-N,C8H19O2PS2,242.3,242.0564092,4.3,51.6,171,0,1,4,6,13,,,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0
"BORATE(1-), BIS(ACETATO-O)DIFLUORO-, DIHYDROGEN FLUORIDE, (T-4)-",000373-61-5,171039532,diacetyloxy(difluoro)boranuide;hydron;fluoride,[H+].[H+].[B-](OC(=O)C)(OC(=O)C)(F)F.[F-],"InChI=1S/C4H6BF2O4.FH/c1-3(8)10-5(6,7)11-4(2)9;/h1-2H3;1H/q-1;/p+1",SQSDCNHOYPJGDQ-UHFFFAOYSA-O,C4H8BF3O4,187.91,188.0467734,,52.6,163,0,2,8,4,12,,,0,0,1,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,1,0
PHOSPHORIC TRIBROMIDE,007789-59-5,24613,,O=P(Br)(Br)Br,"InChI=1S/Br3OP/c1-5(2,3)4",UXCDUFKZSUBXGM-UHFFFAOYSA-N,Br3OP,286.69,285.72164,2.2,17.1,53,0,0,1,0,5,,AT 758 MM HG IT BOILS AT 193 °C WITH DECOMPOSITION,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,1
"TITANIUM, DICHLOROOXO-",013780-39-7,83729,oxotitanium;dihydrochloride,O=[Ti].Cl.Cl,InChI=1S/2ClH.O.Ti/h2*1H;;,FRYLSAGYQXAKIV-UHFFFAOYSA-N,Cl2H2OTi,136.79,135.896211,,17.1,6,0,2,1,0,4,,,0,0,1,1,0,0,0,1,0,0,0,1,0,0,0,0,1,1,0,1
"CARBONOCHLORIDIC ACID, HEPTYL ESTER",033758-34-8,118547,heptyl carbonochloridate,CCCCCCCOC(=O)Cl,"InChI=1S/C8H15ClO2/c1-2-3-4-5-6-7-11-8(9)10/h2-7H2,1H3",SATRZZYUXUGZIE-UHFFFAOYSA-N,C8H15ClO2,178.65,178.0760574,4,26.3,104,0,0,2,7,11,,,0,0,0,1,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0
POTASSIUM HEXACHLOROIRIDATE(IV),016920-56-2,11049163,dipotassium;hexachloroiridium(2-),Cl[Ir-2](Cl)(Cl)(Cl)(Cl)Cl.[K+].[K+],InChI=1S/6ClH.Ir.2K/h6*1H;;;/q;;;;;;+4;2*+1/p-6,WEKZJZDULNNSCD-UHFFFAOYSA-H,Cl6IrK2,483.1,482.7005,,0,62,0,0,1,0,9,,,0,1,1,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1
"ACETIC ACID, CYANO-, 2-ETHYLHEXYL ESTER",013361-34-7,96359,2-ethylhexyl 2-cyanoacetate,CCCCC(CC)COC(=O)CC#N,"InChI=1S/C11H19NO2/c1-3-5-6-10(4-2)9-14-11(13)7-8-12/h10H,3-7,9H2,1-2H3",ZNYBQVBNSXLZNI-UHFFFAOYSA-N,C11H19NO2,197.27,197.1415788,3.1,50.1,205,0,0,3,8,14,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1
"PHOSPHONIC ACID, [1,2-ETHANEDIYLBIS[[3-[BIS(PHOSPHONOMETHYL)AMINO]PROPYL]IMINO",075125-54-1,173334,[3-[bis(phosphonomethyl)amino]propyl-[2-[3-[bis(phosphonomethyl)amino]propyl-(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid,C(CN(CCN(CCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)CN(CP(=O)(O)O)CP(=O)(O)O,"InChI=1S/C14H40N4O18P6/c19-37(20,21)9-15(3-1-5-17(11-39(25,26)27)12-40(28,29)30)7-8-16(10-38(22,23)24)4-2-6-18(13-41(31,32)33)14-42(34,35)36/h1-14H2,(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)",JFRZETRSNDLRII-UHFFFAOYSA-N,C14H40N4O18P6,738.33,738.0763324,-18.4,358,974,0,12,22,23,42,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
HYDROXYLAMINE-D3 DCL,015588-23-5,16212195,(2H)chlorane;[(2H)hydroxy](2H2)amine,[2H]N([2H])O[2H].[2H]Cl,"InChI=1S/ClH.H3NO/c;1-2/h1H;2H,1H2/i;1D2,2D/hD",WTDHULULXKLSOZ-MUONFQNCSA-N,ClH4NO,73.51,73.0232484,,46.3,2,0,3,2,0,3,,,1,1,0,1,0,1,0,1,0,0,0,1,0,0,0,0,1,1,1,0
TETRAFLUOROETHYLENE-PERFLUORO(3-OXA-4-PENTENESULFONIC ACID) COPOLYMER,111173-25-2,44153897,"1,1,2,2-tetrafluoroethene;1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid",C(=C(F)F)(OC(C(F)(F)S(=O)(=O)O)(F)F)F.C(=C(F)F)(F)F,"InChI=1S/C4HF7O4S.C2F4/c5-1(6)2(7)15-3(8,9)4(10,11)16(12,13)14;3-1(4)2(5)6/h(H,12,13,14);",BKIWNMVJOHRIMW-UHFFFAOYSA-N,C6HF11O4S,378.12,377.9419895,,72,445,0,1,15,4,22,,,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0
CUPRIC CHLORIDE,007447-39-4,24014,dichlorocopper,Cl[Cu]Cl,InChI=1S/2ClH.Cu/h2*1H;/q;;+2/p-2,ORTQZVOHEJQUHG-UHFFFAOYSA-L,Cl2Cu,134.45,132.867303,,0,2,0,0,0,0,3,,993 °C DECOMP TO CUPROUS CHLORIDE,1,1,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,0
3-MERCAPTOPROPIONIC ACID,000107-96-0,6514,3-sulfanylpropanoic acid,C(CS)C(=O)O,"InChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)",DKIDEFUBRARXTE-UHFFFAOYSA-N,C3H6O2S,106.15,106.0088506,0.4,38.3,52,0,2,3,2,6,93 °C,111 °C AT 15 MM HG,0,1,1,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
SODIUM THIOGLYCOLIC,000367-51-1,23690444,sodium 2-sulfanylacetate,C(C(=O)[O-])S.[Na+],"InChI=1S/C2H4O2S.Na/c3-2(4)1-5;/h5H,1H2,(H,3,4);/q;+1/p-1",GNBVPFITFYNRCN-UHFFFAOYSA-M,C2H3NaO2S,114.1,113.9751448,,41.1,46,0,1,3,1,6,,,0,1,0,1,0,0,1,1,0,0,0,1,0,1,0,0,1,1,1,0
ALUMINUM SULFATE,010043-01-3,24850,dialuminum;trisulfate,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3],"InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",DIZPMCHEQGEION-UHFFFAOYSA-H,Al2O12S3,342.2,341.818266,,266,62,0,0,12,0,17,,"214 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0
AMMONIUM FLUOBORATE,013826-83-0,9964072,azanium tetrafluoroborate,[B-](F)(F)(F)F.[NH4+],"InChI=1S/BF4.H3N/c2-1(3,4)5;/h;1H3/q-1;/p+1",PDTKOBRZPAIMRD-UHFFFAOYSA-O,BF4H4N,104.85,105.0372919,,1,19,0,1,5,0,6,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1
METHYL DEMETON,008022-00-2,24692,1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane;2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-lambda5-phosphane,CCSCCOP(=S)(OC)OC.CCSCCSP(=O)(OC)OC,"InChI=1S/2C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3;1-4-12-6-5-9-10(11,7-2)8-3/h2*4-6H2,1-3H3",KPNPDRFFWQBXGT-UHFFFAOYSA-N,C12H30O6P2S4,460.6,460.0400474,,171,291,0,0,10,14,24,,"Decomposes (NIOSH, 2024)",0,1,1,1,0,0,0,1,0,0,1,0,0,1,0,0,1,1,1,1
N-NITROSOMETHYLVINYLAMINE,004549-40-0,20678,N-ethenyl-N-methylnitrous amide,CN(C=C)N=O,"InChI=1S/C3H6N2O/c1-3-5(2)4-6/h3H,1H2,2H3",AWZVYNHQGTZJIH-UHFFFAOYSA-N,C3H6N2O,86.09,86.04801282,0.7,32.7,61,0,0,3,1,6,,"117 to 118 °F at 30 mmHg (NTP, 1992)",0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-ACETYL-2-THIOUREA,000591-08-2,2723593,N-carbamothioylacetamide,CC(=O)NC(=S)N,"InChI=1S/C3H6N2OS/c1-2(6)5-3(4)7/h1H3,(H3,4,5,6,7)",IPCRBOOJBPETMF-UHFFFAOYSA-N,C3H6N2OS,118.16,118.020084,-0.1,87.2,101,0,2,2,0,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MERCURY(II) FLUORIDE,007783-39-3,82209,difluoromercury,F[Hg]F,InChI=1S/2FH.Hg/h2*1H;/q;;+2/p-2,FMSYTQMJOCCCQS-UHFFFAOYSA-L,F2Hg,238.59,239.96745,,0,2,0,0,2,0,3,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
CHLOROMETHYLMERCURY,000115-09-3,409301,chloro(methyl)mercury,C[Hg]Cl,InChI=1S/CH3.ClH.Hg/h1H3;1H;/q;;+1/p-1,BABMCXWQNSQAOC-UHFFFAOYSA-M,CH3ClHg,251.08,251.962971,,0,4,0,0,0,0,3,,,1,1,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
TETRACYANOETHYLENE,000670-54-2,12635,"ethene-1,1,2,2-tetracarbonitrile",C(#N)C(=C(C#N)C#N)C#N,InChI=1S/C6N4/c7-1-5(2-8)6(3-9)4-10,NLDYACGHTUPAQU-UHFFFAOYSA-N,C6N4,128.09,128.012296,-0.2,95.2,289,0,0,4,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"MERCUROUS NITRATE, DIHYDRATE",014836-60-3,11318980,bis(mercury(1+));dinitrate;dihydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.[Hg+].[Hg+],InChI=1S/2Hg.2NO3.2H2O/c;;2*2-1(3)4;;/h;;;;2*1H2/q2*+1;2*-1;;,LSABZDVKJBWCBE-UHFFFAOYSA-N,H4Hg2N2O8,561.22,561.935736,,128,18,0,2,8,0,12,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,3-DIMETHYL-2,3-DINITROBUTANE",003964-18-9,77577,"2,3-dimethyl-2,3-dinitrobutane",CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C6H12N2O4/c1-5(2,7(9)10)6(3,4)8(11)12/h1-4H3",DWCLXOREGBLXTD-UHFFFAOYSA-N,C6H12N2O4,176.17,176.0797069,1,91.6,187,0,0,4,1,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM CYANIDE-13C,025909-68-6,11789121,potassium azanylidyne(113C)methane,[13C-]#N.[K+],InChI=1S/CN.K/c1-2;/q-1;+1/i1+1;,NNFCIKHAZHQZJG-YTBWXGASSA-N,CKN,66.109,65.97013532,,23.8,12,0,0,2,0,3,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-DICHLOROACETONE",000534-07-6,10793,"1,3-dichloropropan-2-one",C(C(=O)CCl)Cl,InChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2,SUNMBRGCANLOEG-UHFFFAOYSA-N,C3H4Cl2O,126.97,125.9639201,1.2,17.1,46,0,0,1,2,6,,"343 °F at 760 mmHg (EPA, 1998)",1,1,1,1,0,0,1,1,0,0,1,0,0,0,0,0,1,0,0,0
"POTASSIUM DETRACYANOPLATINATE (II), TRIHYDRATE",014323-36-5,86278136,dipotassium;platinum(2+);tetracyanide;tetrahydrate,[C-]#N.[C-]#N.[C-]#N.[C-]#N.O.O.O.O.[K+].[K+].[Pt+2],InChI=1S/4CN.2K.4H2O.Pt/c4*1-2;;;;;;;/h;;;;;;4*1H2;/q4*-1;2*+1;;;;;+2,JJVBDLIBPBLHEW-UHFFFAOYSA-N,C4H8K2N4O4Pt,449.41,448.946762,,99.2,10,0,4,12,0,15,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
PLATINUM(II) CYANIDE,000592-06-3,68962,platinum(2+) dicyanide,[C-]#N.[C-]#N.[Pt+2],InChI=1S/2CN.Pt/c2*1-2;/q2*-1;+2,INXLGDBFWGBBOC-UHFFFAOYSA-N,C2N2Pt,247.12,246.970942,,47.6,10,0,0,4,0,5,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM SELENOCYANATE,003425-46-5,76960,potassium selenocyanate,C(#N)[Se-].[K+],InChI=1S/CHNSe.K/c2-1-3;/h3H;/q;+1/p-1,KYEKHFSRAXRJBR-UHFFFAOYSA-M,CKNSe,144.09,144.8833,,23.8,31,0,0,2,0,4,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"PHOSPHOROCHLORIDIC ACID, DIMETHYL ESTER",000813-77-4,101863,[chloro(methoxy)phosphoryl]oxymethane,COP(=O)(OC)Cl,"InChI=1S/C2H6ClO3P/c1-5-7(3,4)6-2/h1-2H3",NGFFLHMFSINFGB-UHFFFAOYSA-N,C2H6ClO3P,144.49,143.9743087,0.1,35.5,84,0,0,3,2,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,10-DIFLUORODECANE",000334-63-4,9545,"1,10-difluorodecane",C(CCCCCF)CCCCF,InChI=1S/C10H20F2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2,ADWRJBGWKKLYBU-UHFFFAOYSA-N,C10H20F2,178.26,178.153307,4.5,0,64,0,0,2,9,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYL MERCURY CHLORIDE,000107-27-7,7862,chloro(ethyl)mercury,CC[Hg]Cl,"InChI=1S/C2H5.ClH.Hg/c1-2;;/h1H2,2H3;1H;/q;;+1/p-1",QWUGXIXRFGEYBD-UHFFFAOYSA-M,C2H5ClHg,265.1,265.978621,,0,10,0,0,0,0,4,,"Sublimes (NTP, 1992)",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
MERCUROUS NITRATE [CAS NO. 007782-86-7],007782-86-7,138394175,mercury(1+);nitric acid;hydrate,[N+](=O)(O)[O-].O.[Hg+],"InChI=1S/Hg.HNO3.H2O/c;2-1(3)4;/h;(H,2,3,4);1H2/q+1;;",WEXBYLMYRLHLJK-UHFFFAOYSA-N,H3HgNO4+,281.62,282.976851,,67.1,24,1,2,4,0,6,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
MERCURY TELLURIDE (HGTE),012068-90-5,82914,tellanylidenemercury,[Te]=[Hg],InChI=1S/Hg.Te,VCEXCCILEWFFBG-UHFFFAOYSA-N,HgTe,328.2,331.876866,,0,2,0,0,0,0,2,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
POTASSIUM AZIDE (K(N3)),020762-60-1,10290740,potassium azide,[N-]=[N+]=[N-].[K+],InChI=1S/K.N3/c;1-3-2/q+1;-1,TZLVRPLSVNESQC-UHFFFAOYSA-N,KN3,81.119,80.9729285,,3,15,0,0,2,0,4,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CESIUM AZIDE (CS(N3)),022750-57-8,89817,cesium azide,[N-]=[N+]=[N-].[Cs+],InChI=1S/Cs.N3/c;1-3-2/q+1;-1,AYTVLULEEPNWAX-UHFFFAOYSA-N,CsN3,174.926,174.914674,,3,26,0,0,2,0,4,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CALCIUM ARSENITE,052740-16-6,40516,calcium hydrogen arsorite,O[As]([O-])[O-].[Ca+2],InChI=1S/AsHO3.Ca/c2-1(3)4;/h2H;/q-2;+2,LGBCMHYFFJVCFY-UHFFFAOYSA-N,AsCaHO3,164.01,163.876754,,66.4,10,0,1,3,0,5,,,0,0,0,1,0,1,0,1,0,0,0,0,0,1,0,0,0,0,1,1
HYDROXYCARBONIMIDIC DICHLORIDE,001794-86-1,65582,N-(dichloromethylidene)hydroxylamine,C(=NO)(Cl)Cl,InChI=1S/CHCl2NO/c2-1(3)4-5/h5H,JIRJHEXNDQBKRZ-UHFFFAOYSA-N,CHCl2NO,113.93,112.943519,2.1,32.6,47,0,1,2,0,5,,128 °C at 760 mm Hg,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
MERCUROUS CHLORIDE,007546-30-7,24182,chloromercury,Cl[Hg],InChI=1S/ClH.Hg/h1H;/q;+1/p-1,RCTYPNKXASFOBE-UHFFFAOYSA-M,ClHg,236.04,236.939496,,0,2,0,0,0,0,2,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"PLATINUM, DIAMMINEDIIODO-",013841-96-8,11016356,azane;diiodoplatinum,N.N.I[Pt]I,InChI=1S/2HI.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2,PNCHTLQBARZRSO-UHFFFAOYSA-L,H6I2N2Pt,482.95,482.82684,,2,2,0,2,2,0,5,,,0,1,0,1,0,1,0,1,0,0,1,0,0,1,1,0,0,1,0,0
MERCURY(II) NITRATE MONOHYDRATE,007783-34-8,3084029,mercury(2+);dinitrate;hydrate,[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[Hg+2],InChI=1S/Hg.2NO3.H2O/c;2*2-1(3)4;/h;;;1H2/q+2;2*-1;,KVICROHOONHSRH-UHFFFAOYSA-N,H2HgN2O7,342.62,343.956844,,127,18,0,1,7,0,10,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
COBALT CYANIDE (CO(CN)2),000542-84-7,4194034,cobalt(2+) dicyanide,[C-]#N.[C-]#N.[Co+2],InChI=1S/2CN.Co/c2*1-2;/q2*-1;+2,CWZOMTYLSNXUEL-UHFFFAOYSA-N,C2CoN2,110.97,110.939342,,47.6,31,0,0,4,0,5,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
THALLIUM CARBONATE,006533-73-9,23031,bis(thallium(1+));carbonate,C(=O)([O-])[O-].[Tl+].[Tl+],"InChI=1S/CH2O3.2Tl/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2",DASUJKKKKGHFBF-UHFFFAOYSA-L,CO3Tl2,468.78,469.9336,,63.2,18,0,0,3,0,6,,333.6 °C,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
POTASSIUM TETRACYANONICKELATE(II) HYDRATE,014220-17-8,61717,dipotassium;nickel(2+);tetracyanide,[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[K+].[Ni+2],InChI=1S/4CN.2K.Ni/c4*1-2;;;/q4*-1;2*+1;+2,LXWJYIBQIPSFSE-UHFFFAOYSA-N,C4K2N4Ni,240.96,239.875051,,95.2,76,0,0,8,0,11,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
MONOCROTOPHOS,006923-22-4,5371562,dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate,C/C(=C\C(=O)NC)/OP(=O)(OC)OC,"InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+",KRTSDMXIXPKRQR-AATRIKPKSA-N,C7H14NO5P,223.16,223.0609595,-0.2,73.9,267,0,1,5,5,14,"Above 200F (EPA, 1998)","257 °F at 0.0005 mmHg (EPA, 1998)",1,1,1,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0
LACTONITRILE,000078-97-7,6572,2-hydroxypropanenitrile,CC(C#N)O,"InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3",WOFDVDFSGLBFAC-UHFFFAOYSA-N,C3H5NO,71.08,71.03711378,-0.3,44,60,0,1,2,0,5,"170 °F (EPA, 1998)","360 to 363 °F at 760 mmHg Slight decomposition (EPA, 1998)",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM SELENITE PENTAHYDRATE,026970-82-1,134930,disodium;selenite;pentahydrate,O.O.O.O.O.[O-][Se](=O)[O-].[Na+].[Na+],"InChI=1S/2Na.H2O3Se.5H2O/c;;1-4(2)3;;;;;/h;;(H2,1,2,3);5*1H2/q2*+1;;;;;;/p-2",TUANAMBRHOLYTH-UHFFFAOYSA-L,H10Na2O8Se,263.03,263.93363,,68.2,18,0,5,8,0,11,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
THALLOUS NITRATE,010102-45-1,24937,thallium(1+) nitrate,[N+](=O)([O-])[O-].[Tl+],InChI=1S/NO3.Tl/c2-1(3)4;/q-1;+1,FYWSTUCDSVYLPV-UHFFFAOYSA-N,NO3Tl,266.39,266.96225,,62.9,18,0,0,3,0,5,,"806 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
THIOGLYCOLIC ACID,000068-11-1,1133,2-sulfanylacetic acid,C(C(=O)O)S,"InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)",CWERGRDVMFNCDR-UHFFFAOYSA-N,C2H4O2S,92.12,91.99320054,0.1,38.3,42,0,2,3,1,5,"235 °F (NTP, 1992)","248 °F at 20 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
LITHIUM FLUORIDE,007789-24-4,224478,lithium fluoride,[Li+].[F-],InChI=1S/FH.Li/h1H;/q;+1/p-1,PQXKHYXIUOZZFA-UHFFFAOYSA-M,FLi,26,26.0144066,,0,2,0,0,1,0,2,,1673 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PERCHLOROMETHYL MERCAPTAN,000594-42-3,11666,trichloromethyl thiohypochlorite,C(SCl)(Cl)(Cl)Cl,"InChI=1S/CCl4S/c2-1(3,4)6-5",RYFZYYUIAZYQLC-UHFFFAOYSA-N,CCl4S,185.9,185.844532,3.2,25.3,37,0,0,1,0,6,,"297 to 298 °F at 760 mmHg (EPA, 1998)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
CHROMIUM(III) FLUORIDE,007788-97-8,522687,trifluorochromium,F[Cr](F)F,InChI=1S/Cr.3FH/h;3*1H/q+3;;;/p-3,FTBATIJJKIIOTP-UHFFFAOYSA-K,CrF3,108.991,108.935714,,0,8,0,0,3,0,4,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,0
RUBIDIUM FLUORIDE,013446-74-7,83473,rubidium(1+) fluoride,[F-].[Rb+],InChI=1S/FH.Rb/h1H;/q;+1/p-1,AHLATJUETSFVIM-UHFFFAOYSA-M,FRb,104.466,103.9101929,,0,2,0,0,1,0,2,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BERYLLIUM FLUORIDE,007787-49-7,24589,beryllium difluoride,[Be+2].[F-].[F-],InChI=1S/Be.2FH/h;2*1H/q+2;;/p-2,JZKFIPKXQBZXMW-UHFFFAOYSA-L,BeF2,47.008989,47.0089894,,0,2,0,0,2,0,3,,1283 °C,0,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,1,0,1,0
METHYLTRIOCTYLAMMONIUM CHLORIDE,005137-55-3,21218,methyl(trioctyl)azanium chloride,CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.[Cl-],"InChI=1S/C25H54N.ClH/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;/h5-25H2,1-4H3;1H/q+1;/p-1",XKBGEWXEAPTVCK-UHFFFAOYSA-M,C25H54ClN,404.2,403.3944784,,0,220,0,0,1,21,27,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"ALUMINUM FLUORIDE, HYDRATE",032287-65-3,16211462,trifluoroalumane;hydrate,O.F[Al](F)F,InChI=1S/Al.3FH.H2O/h;3*1H;1H2/q+3;;;;/p-3,XTXFDUABTPNTFB-UHFFFAOYSA-K,AlF3H2O,101.992,101.9873126,,1,8,0,1,4,0,5,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMINOACETONITRILE HYDROCHLORIDE,006011-14-9,11491918,2-aminoacetonitrile;hydrochloride,C(C#N)N.Cl,"InChI=1S/C2H4N2.ClH/c3-1-2-4;/h1,3H2;1H",XFKYKTBPRBZDFG-UHFFFAOYSA-N,C2H5ClN2,92.53,92.0141259,,49.8,39,0,2,2,0,5,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM HEXACHLOROOSMIATE,016871-60-6,167580,dipotassium;osmium(4+);hexachloride,[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[K+].[K+].[Os+4],InChI=1S/6ClH.2K.Os/h6*1H;;;/q;;;;;;2*+1;+4/p-6,VGKQJCSDERXWRV-UHFFFAOYSA-H,Cl6K2Os,481.1,481.69906,,0,0,0,0,6,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM CHROMATE TETRAHYDRATE,010034-82-9,22146515,disodium;dioxido(dioxo)chromium;tetrahydrate,O.O.O.O.[O-][Cr](=O)(=O)[O-].[Na+].[Na+],InChI=1S/Cr.2Na.4H2O.4O/h;;;4*1H2;;;;/q;2*+1;;;;;;;2*-1,AVHUVTPOXZEIRG-UHFFFAOYSA-N,CrH8Na2O8,234.03,233.94196,,84.3,62,0,4,8,0,11,,"Decomposes (NTP, 1992)",1,1,1,1,0,1,1,0,0,0,1,0,0,1,1,0,1,1,1,0
HYDRAZINE MONOHYDROCHLORIDE,002644-70-4,115031,hydrazine;hydrochloride,NN.Cl,InChI=1S/ClH.H4N2/c;1-2/h1H;1-2H2,BIVUUOPIAYRCAP-UHFFFAOYSA-N,ClH5N2,68.51,68.0141259,,52,0,0,3,2,0,3,,,1,1,1,1,0,1,1,0,0,0,1,0,0,0,0,0,1,1,0,0
PRASEODYMIUM FLUORIDE,013709-46-1,83677,trifluoropraseodymium,F[Pr](F)F,InChI=1S/3FH.Pr/h3*1H;/q;;;+3/p-3,BOTHRHRVFIZTGG-UHFFFAOYSA-K,F3Pr,197.90287,197.90287,,0,8,0,0,3,0,4,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BERYLLIUM CHLORIDE,007787-47-5,24588,beryllium dichloride,[Be+2].[Cl-].[Cl-],InChI=1S/Be.2ClH/h;2*1H/q+2;;/p-2,LWBPNIJBHRISSS-UHFFFAOYSA-L,BeCl2,79.92,78.949888,,0,2,0,0,2,0,3,,"968 °F at 760 mmHg (sublimes) (USCG, 1999)",1,0,1,1,0,1,1,1,0,0,0,0,0,0,0,0,1,1,1,1
BARIUM CHLORIDE,010361-37-2,25204,barium(2+) dichloride,[Cl-].[Cl-].[Ba+2],InChI=1S/Ba.2ClH/h;2*1H/q+2;;/p-2,WDIHJSXYQDMJHN-UHFFFAOYSA-L,BaCl2,208.23,207.842952,,0,2,0,0,2,0,3,,"2840 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-BROMOETHANOL,000540-51-2,10898,2-bromoethanol,C(CBr)O,"InChI=1S/C2H5BrO/c3-1-2-4/h4H,1-2H2",LDLCZOVUSADOIV-UHFFFAOYSA-N,C2H5BrO,124.96,123.95238,0.2,20.2,10,0,1,1,1,4,"105 °F (NTP, 1992)","300 to 302 °F at 750 mmHg (Decomposes) (NTP, 1992)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,2,2-TRICHLORO-1,1-DIMETHYLETHYLCHLOROFORMATE",066270-36-8,5106606,"(1,1,1-trichloro-2-methylpropan-2-yl) carbonochloridate",CC(C)(C(Cl)(Cl)Cl)OC(=O)Cl,"InChI=1S/C5H6Cl4O2/c1-4(2,5(7,8)9)11-3(6)10/h1-2H3",GMELMFSDPDSXOZ-UHFFFAOYSA-N,C5H6Cl4O2,239.9,239.90924,3.6,26.3,160,0,0,2,2,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
IODOMETHANE-13C,004227-95-6,9989367,iodo(113C)methane,[13CH3]I,InChI=1S/CH3I/c1-2/h1H3/i1+1,INQOMBQAUSQDDS-OUBTZVSYSA-N,CH3I,142.932,142.9313,1.5,0,2,0,0,0,0,2,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1
IODOMETHANE-13C-D3,020710-47-8,11400850,trideuterio(iodo)(113C)methane,[2H][13C]([2H])([2H])I,InChI=1S/CH3I/c1-2/h1H3/i1+1D3,INQOMBQAUSQDDS-KQORAOOSSA-N,CH3I,145.9501,145.95013,1.5,0,2,0,0,0,0,2,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1
RHENIUM HEPTASULFIDE,012038-67-4,159414,rhenium;heptasulfide,[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[Re].[Re],InChI=1S/2Re.7S/q;;7*-2,USBWXQYIYZPMMN-UHFFFAOYSA-N,Re2S7-14,596.9,595.71321,,7,0,-14,0,7,0,9,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
DICHLOROACETALDEHYDE,000079-02-7,6576,"2,2-dichloroacetaldehyde",C(=O)C(Cl)Cl,InChI=1S/C2H2Cl2O/c3-2(4)1-5/h1-2H,NWQWQKUXRJYXFH-UHFFFAOYSA-N,C2H2Cl2O,112.94,111.9482701,1.1,17.1,34,0,0,1,1,5,"140 °F (NTP, 1992)","190 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OSMIUM TRICHLORIDE,013444-93-4,83468,trichloroosmium,Cl[Os](Cl)Cl,InChI=1S/3ClH.Os/h3*1H;/q;;;+3/p-3,UAIHPMFLFVHDIN-UHFFFAOYSA-K,Cl3Os,296.6,296.86804,,0,8,0,0,0,0,4,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
VANADIUM(IV) CHLORIDE,007632-51-1,24273,tetrachlorovanadium,Cl[V](Cl)(Cl)Cl,InChI=1S/4ClH.V/h4*1H;/q;;;;+4/p-4,JTJFQBNJBPPZRI-UHFFFAOYSA-J,Cl4V,192.7,192.816418,,0,19,0,0,0,0,5,,1518 °C,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SILVER VANADATE,013497-94-4,3084155,silver oxido(dioxo)vanadium,[O-][V](=O)=O.[Ag+],InChI=1S/Ag.3O.V/q+1;;;-1;,RAVDHKVWJUPFPT-UHFFFAOYSA-N,AgO3V,206.808,205.83379,,57.2,36,0,0,3,0,5,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
STRONTIUM MOLYBDENUM OXIDE,013470-04-7,123312,strontium dioxido(dioxo)molybdenum,[O-][Mo](=O)(=O)[O-].[Sr+2],InChI=1S/Mo.4O.Sr/q;;;2*-1;+2,YZJCJRRZBDFNQA-UHFFFAOYSA-N,MoO4Sr,247.57,249.790674,,80.3,85,0,0,4,0,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-DIBROMOETHYLENE",000540-49-8,10897,"1,2-dibromoethene",C(=CBr)Br,InChI=1S/C2H2Br2/c3-1-2-4/h1-2H,UWTUEMKLYAGTNQ-UHFFFAOYSA-N,C2H2Br2,185.85,185.85028,1.9,0,19,0,0,0,0,4,,110 °C @ 754 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIAMINOPROPANE DIHYDROCHLORIDE",010517-44-9,165887,"propane-1,3-diamine;dihydrochloride",C(CN)CN.Cl.Cl,InChI=1S/C3H10N2.2ClH/c4-2-1-3-5;;/h1-5H2;2*1H,HYOCSVGEQMCOGE-UHFFFAOYSA-N,C3H12Cl2N2,147.04,146.0377538,,52,12,0,4,2,2,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TERT-BUTYL N-(2-HYDROXYETHYL) CARBAMATE,026690-80-2,2733206,tert-butyl N-(2-hydroxyethyl)carbamate,CC(C)(C)OC(=O)NCCO,"InChI=1S/C7H15NO3/c1-7(2,3)11-6(10)8-4-5-9/h9H,4-5H2,1-3H3,(H,8,10)",GPTXCAZYUMDUMN-UHFFFAOYSA-N,C7H15NO3,161.2,161.1051933,0.2,58.6,128,0,2,3,4,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CHROMIUM SELENIDE,012053-13-3,82886,selanylidenechromium,[Cr]=[Se],InChI=1S/Cr.Se,UVZCKRKEVWSRGT-UHFFFAOYSA-N,CrSe,130.97,131.85703,,0,2,0,0,0,0,2,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"(E)-1,4-DIBROMOBUT-2-ENE",000821-06-7,641245,"(E)-1,4-dibromobut-2-ene",C(/C=C/CBr)Br,"InChI=1S/C4H6Br2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+",RMXLHIUHKIVPAB-OWOJBTEDSA-N,C4H6Br2,213.9,213.88158,2.1,0,34,0,0,0,2,6,"greater than 235 °F (NTP, 1992)","397 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,1,1,1,0,0,0,0,0,0,0,0,1,1,0,0
2-CHLOROETHANESULFONYL CHLORIDE,001622-32-8,15385,2-chloroethanesulfonyl chloride,C(CCl)S(=O)(=O)Cl,"InChI=1S/C2H4Cl2O2S/c3-1-2-7(4,5)6/h1-2H2",VHCSBTPOPKFYIU-UHFFFAOYSA-N,C2H4Cl2O2S,163.02,161.9309059,1,42.5,121,0,0,2,2,7,,"392 to 397 °F at 760 mmHg (EPA, 1998)",0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,2,4,4,6,8,8-HEPTAMETHYLNONANE",004390-04-9,20414,"2,2,4,4,6,8,8-heptamethylnonane",CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C,"InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3",VCLJODPNBNEBKW-UHFFFAOYSA-N,C16H34,226.44,226.2660511,7.3,0,197,0,0,0,6,16,,,0,1,0,1,1,1,0,1,0,0,0,0,0,0,0,0,1,0,0,0
GERMANIUM DISELENIDE,012065-11-1,82903,bis(selanylidene)germane,[Ge](=[Se])=[Se],InChI=1S/GeSe2/c2-1-3,WYDSCDJEAVCHQJ-UHFFFAOYSA-N,GeSe2,230.6,233.75422,,0,18,0,0,0,0,3,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
1-CYANOVINYL ACETATE,003061-65-2,18291,1-cyanoethenyl acetate,CC(=O)OC(=C)C#N,"InChI=1S/C5H5NO2/c1-4(3-6)8-5(2)7/h1H2,2H3",LFSHREXVLSTLFB-UHFFFAOYSA-N,C5H5NO2,111.1,111.0320284,0.5,50.1,163,0,0,3,2,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"METHYL BROMOACETATE-2,2-D2",163886-16-6,16213462,"methyl 2-bromo-2,2-dideuterioacetate",[2H]C([2H])(C(=O)OC)Br,"InChI=1S/C3H5BrO2/c1-6-3(5)2-4/h2H2,1H3/i2D2",YDCHPLOFQATIDS-CBTSVUPCSA-N,C3H5BrO2,154.99,153.95985,0.9,26.3,52,0,0,2,2,6,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMO-2-METHYLPROPIONAMIDE,007462-74-0,101235,2-bromo-2-methylpropanamide,CC(C)(C(=O)N)Br,"InChI=1S/C4H8BrNO/c1-4(2,5)3(6)7/h1-2H3,(H2,6,7)",WTRIMJTZOOLIFZ-UHFFFAOYSA-N,C4H8BrNO,166.02,164.97893,0.5,43.1,89,0,1,1,1,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-FLUOROPROPANEDIOIC ACID 1,3-DIMETHYL ESTER",000344-14-9,2737111,dimethyl 2-fluoropropanedioate,COC(=O)C(C(=O)OC)F,"InChI=1S/C5H7FO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3",ZVXHZSXYHFBIEW-UHFFFAOYSA-N,C5H7FO4,150.1,150.0328369,0.6,52.6,129,0,0,5,4,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHOROUS ACID, TRI-2-PROPENYL ESTER",000102-84-1,66893,tris(prop-2-enyl) phosphite,C=CCOP(OCC=C)OCC=C,"InChI=1S/C9H15O3P/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-6H,1-3,7-9H2",KJWHEZXBZQXVSA-UHFFFAOYSA-N,C9H15O3P,202.19,202.0758813,2,27.7,130,0,0,3,9,13,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANENITRILE, 4-CHLORO-3-HYDROXY-",000105-33-9,92736,4-chloro-3-hydroxybutanenitrile,C(C#N)C(CCl)O,"InChI=1S/C4H6ClNO/c5-3-4(7)1-2-6/h4,7H,1,3H2",LHBPNZDUNCZWFL-UHFFFAOYSA-N,C4H6ClNO,119.55,119.0137915,-0.1,44,84,0,1,2,2,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
ISOPROPYL PHOSPHITE,000116-17-6,8304,tripropan-2-yl phosphite,CC(C)OP(OC(C)C)OC(C)C,"InChI=1S/C9H21O3P/c1-7(2)10-13(11-8(3)4)12-9(5)6/h7-9H,1-6H3",SJHCUXCOGGKFAI-UHFFFAOYSA-N,C9H21O3P,208.23,208.1228315,2.5,27.7,102,0,0,3,6,13,165 °F Open Cup; 73.9 °C Closed Cup,94 to 96 °C at 50 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANE, 1-ISOTHIOCYANATO-3-(METHYLTHIO)-",000505-79-3,62351,1-isothiocyanato-3-methylsulfanylpropane,CSCCCN=C=S,"InChI=1S/C5H9NS2/c1-8-4-2-3-6-5-7/h2-4H2,1H3",LDKSCZJUIURGMW-UHFFFAOYSA-N,C5H9NS2,147.3,147.0176416,2.6,69.8,86,0,0,3,4,8,,254.00 °C. @ 760.00 mm Hg,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"THIOUREA, ETHYL-",000625-53-6,3032338,ethylthiourea,CCNC(=S)N,"InChI=1S/C3H8N2S/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6)",GMEHFXXZSWDEDB-UHFFFAOYSA-N,C3H8N2S,104.18,104.0408194,-0.2,70.1,52,0,2,1,1,6,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CHLOROETHYL CHLOROFORMATE,000627-11-2,12305,2-chloroethyl carbonochloridate,C(CCl)OC(=O)Cl,InChI=1S/C3H4Cl2O2/c4-1-2-7-3(5)6/h1-2H2,SVDDJQGVOFZBNX-UHFFFAOYSA-N,C3H4Cl2O2,142.97,141.9588348,1.8,26.3,64,0,0,2,3,7,,"312.3 °F at 760 mmHg (EPA, 1998)",0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MERCUROUS ACETATE,000631-60-7,61181,mercury(1+) acetate,CC(=O)[O-].[Hg+],"InChI=1S/C2H4O2.Hg/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",WRYNUJYAXVDTCB-UHFFFAOYSA-M,C2H3HgO2,259.64,260.983948,,40.1,25,0,0,2,0,5,,,0,1,0,1,0,0,0,0,0,0,1,0,0,1,0,0,1,1,1,1
"ACETAMIDE, N-(AMINOCARBONYL)-2-CYANO-",001448-98-2,74055,N-carbamoyl-2-cyanoacetamide,C(C#N)C(=O)NC(=O)N,"InChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(6)9/h1H2,(H3,6,7,8,9)",QJGRPCPCQQPZLZ-UHFFFAOYSA-N,C4H5N3O2,127.1,127.0381764,-0.8,96,177,0,2,3,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-ETHYLHEXANOIC ACID, CADMIUM SALT",002420-98-6,17023,cadmium(2+);bis(2-ethylhexanoate),CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Cd+2],"InChI=1S/2C8H16O2.Cd/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",RXROCZREIWVERD-UHFFFAOYSA-L,C16H30CdO4,398.82,400.117774,,80.3,93,0,0,4,8,21,,,1,1,1,1,0,1,1,0,0,0,1,0,0,1,0,0,0,0,1,0
"DISTANNATHIANE, HEXABUTYL-",004808-30-4,16682974,tributyl(tributylstannylsulfanyl)stannane,CCCC[Sn](CCCC)(CCCC)S[Sn](CCCC)(CCCC)CCCC,"InChI=1S/6C4H9.S.2Sn/c6*1-3-4-2;;;/h6*1,3-4H2,2H3;;;",BDIWFCKBPZPBQT-UHFFFAOYSA-N,C24H54SSn2,612.2,612.19843,,25.3,246,0,0,1,20,27,,,1,1,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,0
"HEXADECANOIC ACID, CADMIUM SALT",006427-86-7,21149332,cadmium(2+);bis(hexadecanoate),CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[Cd+2],"InChI=1S/2C16H32O2.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2",DNLGWCVZSDBXAH-UHFFFAOYSA-L,C32H62CdO4,623.2,624.368175,,80.3,172,0,0,4,26,37,,,0,1,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"2-OCTANONE, OXIME",007207-49-0,81628,N-octan-2-ylidenehydroxylamine,CCCCCCC(=NO)C,"InChI=1S/C8H17NO/c1-3-4-5-6-7-8(2)9-10/h10H,3-7H2,1-2H3",GZRPVYSKBVDCBV-UHFFFAOYSA-N,C8H17NO,143.23,143.1310142,2.7,32.6,99,0,1,2,5,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ARSENOUS TRIIODIDE,007784-45-4,24575,triiodoarsane,[As](I)(I)I,InChI=1S/AsI3/c2-1(3)4,IKIBSPLDJGAHPX-UHFFFAOYSA-N,AsI3,455.635,455.635,,0,8,0,0,0,0,4,,424 °C,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, MERCAPTO-, BUTYL ESTER",010047-28-6,82321,butyl 2-sulfanylacetate,CCCCOC(=O)CS,"InChI=1S/C6H12O2S/c1-2-3-4-8-6(7)5-9/h9H,2-5H2,1H3",SKGVGRLWZVRZDC-UHFFFAOYSA-N,C6H12O2S,148.23,148.0558008,1.7,27.3,83,0,1,3,5,9,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
GALLIUM SELENIDE (GASE),012024-11-2,165984,selanylidenegallane,[GaH]=[Se],InChI=1S/Ga.Se.H,HDBJXFMVKCGIKP-UHFFFAOYSA-N,GaHSe,149.7,149.84992,,0,2,0,0,0,0,2,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"HYDRAZINE, SULFATE (2:1)",013464-80-7,26043,hydrazine;sulfuric acid,NN.NN.OS(=O)(=O)O,"InChI=1S/2H4N2.H2O4S/c2*1-2;1-5(2,3)4/h2*1-2H2;(H2,1,2,3,4)",DBLJAFVPFHRQSP-UHFFFAOYSA-N,H10N4O4S,162.17,162.042276,,187,81,0,6,8,0,9,,,1,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"HYDRAZINE, MONOHYDROBROMIDE",013775-80-9,159693,hydrazine;hydrobromide,NN.Br,InChI=1S/BrH.H4N2/c;1-2/h1H;1-2H2,DVHXJLRODLTJOD-UHFFFAOYSA-N,BrH5N2,112.96,111.96361,,52,0,0,3,2,0,3,,,1,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"STANNANE, BUTOXYDIBUTYLCHLORO-",014254-22-9,16684007,butoxy-dibutyl-chlorostannane,CCCCO[Sn](CCCC)(CCCC)Cl,"InChI=1S/C4H9O.2C4H9.ClH.Sn/c1-2-3-4-5;2*1-3-4-2;;/h2-4H2,1H3;2*1,3-4H2,2H3;1H;/q-1;;;;+2/p-1",HMNBEAWAEJQTRZ-UHFFFAOYSA-M,C12H27ClOSn,341.5,342.077246,,9.2,134,0,0,1,10,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COBALT ARSENIDE (COAS),027016-73-5,117908,arsanylidynecobalt,[Co]#[As],InChI=1S/As.Co,NMLUQMQPJQWTFK-UHFFFAOYSA-N,AsCo,133.85479,133.85479,,0,10,0,0,0,0,2,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANAMIDE, 3-MERCAPTO-N-METHYL-",052334-99-3,642906,N-methyl-3-sulfanylpropanamide,CNC(=O)CCS,"InChI=1S/C4H9NOS/c1-5-4(6)2-3-7/h7H,2-3H2,1H3,(H,5,6)",VYQTZFNKSHBQKY-UHFFFAOYSA-N,C4H9NOS,119.19,119.0404851,-0.2,30.1,64,0,2,2,2,7,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,1,2,2,3,3,4,4,5,5,6,6,6-TRIDECAFLUORO-1-HEXANESULFONIC ACID, COMPD. WITH 2,2'-IMINOBIS(ETHANOL) (1:1)",070225-16-0,112396,"2-(2-hydroxyethylamino)ethanol;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid",C(CO)NCCO.C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,"InChI=1S/C6HF13O3S.C4H11NO2/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22;6-3-1-5-2-4-7/h(H,20,21,22);5-7H,1-4H2",VAWRKOLUZUTBLC-UHFFFAOYSA-N,C10H12F13NO5S,505.25,505.0228598,,115,582,0,4,19,9,30,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0
OSMIUM (III) CHLORIDE TRIYDRATE,014996-60-2,16211485,trichloroosmium;hydrate,O.Cl[Os](Cl)Cl,InChI=1S/3ClH.H2O.Os/h3*1H;1H2;/q;;;;+3/p-3,KHHOLOMEVBPRQY-UHFFFAOYSA-K,Cl3H2OOs,314.6,314.8786,,1,8,0,1,1,0,5,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N,N-TRIMETHYLMETHANAMINIUM SALT WITH 2,2-DIMETHYLPROPANOIC ACID",053803-13-7,21900301,"2,2-dimethylpropanoate;tetramethylazanium",CC(C)(C)C(=O)[O-].C[N+](C)(C)C,"InChI=1S/C5H10O2.C4H12N/c1-5(2,3)4(6)7;1-5(2,3)4/h1-3H3,(H,6,7);1-4H3/q;+1/p-1",VQLNWBFHYYUMGE-UHFFFAOYSA-M,C9H21NO2,175.27,175.1572289,,40.1,92,0,0,2,0,12,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM TELLURITE HYDRATE,123333-66-4,71308324,dipotassium;tellurite;hydrate,O.[O-][Te](=O)[O-].[K+].[K+],"InChI=1S/2K.H2O3Te.H2O/c;;1-4(2)3;/h;;(H2,1,2,3);1H2/q2*+1;;/p-2",QYSCQVSMPZINBH-UHFFFAOYSA-L,H2K2O4Te,271.8,273.8289443,,64.2,18,0,1,4,0,7,,,0,0,1,1,0,0,1,1,0,0,0,0,0,1,0,0,1,1,0,1
"ETHYL 2,3-DIBROMOPROPIONATE",003674-13-3,97945,"ethyl 2,3-dibromopropanoate",CCOC(=O)C(CBr)Br,"InChI=1S/C5H8Br2O2/c1-2-9-5(8)4(7)3-6/h4H,2-3H2,1H3",OENICUBCLXKLJQ-UHFFFAOYSA-N,C5H8Br2O2,259.92,259.88706,2.1,26.3,95,0,0,2,4,9,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,1,1,3,3,3-HEXAFLUORO-2-PROPANONE, HYDRATE",013098-39-0,3032602,"bis(1,1,1,3,3,3-hexafluoropropan-2-one);trihydrate",C(=O)(C(F)(F)F)C(F)(F)F.C(=O)(C(F)(F)F)C(F)(F)F.O.O.O,"InChI=1S/2C3F6O.3H2O/c2*4-2(5,6)1(10)3(7,8)9;;;/h;;3*1H2",VAIZVCMDJPBJCM-UHFFFAOYSA-N,C6H6F12O5,386.09,386.0023612,,37.1,124,0,3,17,0,23,,,0,1,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
CHLOROACETIC ANHYDRIDE,000541-88-8,10946,(2-chloroacetyl) 2-chloroacetate,C(C(=O)OC(=O)CCl)Cl,InChI=1S/C4H4Cl2O3/c5-1-3(7)9-4(8)2-6/h1-2H2,PNVPNXKRAUBJGW-UHFFFAOYSA-N,C4H4Cl2O3,170.98,169.9537494,1.1,43.4,109,0,0,3,4,9,,203 °C @ 760 mm Hg,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
GERMANIUM SELENIDE (GESE),012065-10-0,12049114,selanylidenegermanium,[Ge]=[Se],InChI=1S/GeSe/c1-2,RXQPCQXEUZLFTE-UHFFFAOYSA-N,GeSe,151.6,153.8377,,0,2,0,0,0,0,2,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
MOLYBDENUM SELENIDE,012058-18-3,82894,bis(selanylidene)molybdenum,[Se]=[Mo]=[Se],InChI=1S/Mo.2Se,MHWZQNGIEIYAQJ-UHFFFAOYSA-N,MoSe2,253.9,257.73845,,0,18,0,0,0,0,3,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"ARSENIC ACID (H3ASO4), CALCIUM SALT (2:3)",007778-44-1,24501,tricalcium diarsorate,[O-][As](=O)([O-])[O-].[O-][As](=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2],"InChI=1S/2AsH3O4.3Ca/c2*2-1(3,4)5;;;/h2*(H3,2,3,4,5);;;/q;;3*+2/p-6",RMBBSOLAGVEUSI-UHFFFAOYSA-H,As2Ca3O8,398.07,397.69028,,173,36,0,0,8,0,13,,"Decomposes (NIOSH, 2024)",1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
SELENIOUS ACID,007783-00-8,1091,selenous acid,O[Se](=O)O,"InChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)",MCAHWIHFGHIESP-UHFFFAOYSA-N,H2O3Se,128.99,129.91692,,57.5,26,0,2,3,0,4,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"ARSENIC ACID (H3ASO4), DISODIUM SALT",007778-43-0,24500,disodium;hydrogen arsorate,O[As](=O)([O-])[O-].[Na+].[Na+],"InChI=1S/AsH3O4.2Na/c2-1(3,4)5;;/h(H3,2,3,4,5);;/q;2*+1/p-2",IHZDYHDJAVUIBH-UHFFFAOYSA-L,AsHNa2O4,185.907,185.888617,,83.4,46,0,1,4,0,7,,,1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
METHYL IODIDE,000074-88-4,6328,iodomethane,CI,InChI=1S/CH3I/c1-2/h1H3,INQOMBQAUSQDDS-UHFFFAOYSA-N,CH3I,141.939,141.92795,1.5,0,2,0,0,0,0,2,,"108.3 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1
ETHYL CHLOROACETATE,000105-39-5,7751,ethyl 2-chloroacetate,CCOC(=O)CCl,"InChI=1S/C4H7ClO2/c1-2-7-4(6)3-5/h2-3H2,1H3",VEUUMBGHMNQHGO-UHFFFAOYSA-N,C4H7ClO2,122.55,122.0134572,0.9,26.3,62,0,0,2,3,7,"100 °F (USCG, 1999)","289 °F at 760 mmHg (USCG, 1999)",1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"TRIFLUOROMETHANESULFONIC ACID, 2,2,2-TRIFLUOROETHYL ESTER",006226-25-1,80366,"2,2,2-trifluoroethyl trifluoromethanesulfonate",C(C(F)(F)F)OS(=O)(=O)C(F)(F)F,"InChI=1S/C3H2F6O3S/c4-2(5,6)1-12-13(10,11)3(7,8)9/h1H2",RTMMSCJWQYWMNK-UHFFFAOYSA-N,C3H2F6O3S,232.1,231.9628841,2,51.8,254,0,0,9,2,13,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-MERCAPTOETHANOL,000060-24-2,1567,2-sulfanylethanol,C(CS)O,"InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2",DGVVWUTYPXICAM-UHFFFAOYSA-N,C2H6OS,78.14,78.01393598,-0.2,21.2,10,0,2,2,1,4,"165 °F (NFPA, 2010)","315 to 316 °F at 742 mmHg (decomposes) (NTP, 1992)",1,1,1,1,0,0,1,1,0,0,0,0,0,1,0,0,1,1,1,0
CHLOROACETYL CHLORIDE,000079-04-9,6577,2-chloroacetyl chloride,C(C(=O)Cl)Cl,InChI=1S/C2H2Cl2O/c3-1-2(4)5/h1H2,VGCXGMAHQTYDJK-UHFFFAOYSA-N,C2H2Cl2O,112.94,111.9482701,1.4,17.1,42,0,0,1,1,5,100 °C (212 °F) - closed cup,"221 °F at 760 mmHg (USCG, 1999)",1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0
AMMONIUM CHLOROPLATINATE,016919-58-7,16211460,diazanium;hexachloroplatinum(2-),[NH4+].[NH4+].Cl[Pt-2](Cl)(Cl)(Cl)(Cl)Cl,InChI=1S/6ClH.2H3N.Pt/h6*1H;2*1H3;/q;;;;;;;;+4/p-4,PCCGQTHFYHJATL-UHFFFAOYSA-J,Cl6H8N2Pt,443.9,442.843709,,2,62,0,2,1,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
ETHION,000563-12-2,3286,diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane,CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,"InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3",RIZMRRKBZQXFOY-UHFFFAOYSA-N,C9H22O4P2S4,384.5,383.9876179,5.1,152,279,0,0,8,12,19,"349 °F (NIOSH, 2024)","Decomposes above 302.0 °F (USCG, 1999)",1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
METASYSTOX-R,000301-12-2,4618,1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane,CCS(=O)CCSP(=O)(OC)OC,"InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3",PMCVMORKVPSKHZ-UHFFFAOYSA-N,C6H15O4PS2,246.3,246.0149383,-0.7,97.1,201,0,0,6,7,13,"less than 71 °F (NTP, 1992)","223 °F at 0.01 mmHg (NTP, 1992)",1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM HEXACYANOCOBALTATE(III),013963-58-1,159709,tripotassium;cobalt(3+);hexacyanide,[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[K+].[K+].[Co+3],InChI=1S/6CN.Co.3K/c6*1-2;;;;/q6*-1;+3;3*+1,LGRDAQPMSDIUQJ-UHFFFAOYSA-N,C6CoK3N6,332.33,331.842757,,143,10,0,0,12,0,16,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
IRON (II) SELENIDE,001310-32-3,14795,selanylideneiron,[Fe]=[Se],InChI=1S/Fe.Se,WALCGGIJOOWJIN-UHFFFAOYSA-N,FeSe,134.82,135.85146,,0,2,0,0,0,0,2,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"CADMIUM CHLORIDE, 2.5-HYDRATE",007790-78-5,24978551,bis(cadmium(2+));tetrachloride;pentahydrate,O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Cl-].[Cd+2].[Cd+2],InChI=1S/2Cd.4ClH.5H2O/h;;4*1H;5*1H2/q2*+2;;;;;;;;;/p-4,DZVRGWYMCGLNKJ-UHFFFAOYSA-J,Cd2Cl4H10O5,456.7,457.731413,,5,0,0,5,9,0,11,,,1,0,1,1,0,1,1,0,0,0,1,0,0,1,0,0,0,0,1,0
SODIUM CHROMATE,007775-11-3,24488,disodium;dioxido(dioxo)chromium,[O-][Cr](=O)(=O)[O-].[Na+].[Na+],InChI=1S/Cr.2Na.4O/q;2*+1;;;2*-1,PXLIDIMHPNPGMH-UHFFFAOYSA-N,CrNa2O4,161.973,161.899702,,80.3,62,0,0,4,0,7,,,1,1,1,1,0,1,1,0,0,0,1,0,0,1,1,0,1,1,1,0
LEAD MOLYBDENUM OXIDE,010190-55-3,61490,dioxido(dioxo)molybdenum;lead(2+),[O-][Mo](=O)(=O)[O-].[Pb+2],InChI=1S/Mo.4O.Pb/q;;;2*-1;+2,XJUNRGGMKUAPAP-UHFFFAOYSA-N,MoO4Pb,367,369.86171,,80.3,62,0,0,4,0,6,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
BORON TRIFLUORIDE-ETHYLAMINE COMPLEX,000075-23-0,6355,ethanamine;trifluoroborane,B(F)(F)F.CCN,"InChI=1S/C2H7N.BF3/c1-2-3;2-1(3)4/h2-3H2,1H3;",JDVIRCVIXCMTPU-UHFFFAOYSA-N,C2H7BF3N,112.89,113.0623639,,26,10,0,1,4,0,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
TRIMETHYLACETIC ACID,000075-98-9,6417,"2,2-dimethylpropanoic acid",CC(C)(C)C(=O)O,"InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)",IUGYQRQAERSCNH-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,1.5,37.3,78,0,1,2,1,7,"147.2 °F (USCG, 1999)","325 to 327 °F at 760 mmHg (USCG, 1999)",0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-PENTENOIC ACID,000591-80-0,61138,pent-4-enoic acid,C=CCCC(=O)O,"InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)",HVAMZGADVCBITI-UHFFFAOYSA-N,C5H8O2,100.12,100.0524295,0.8,37.3,76,0,1,2,3,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,2,2-TRICHLOROETHYL CHLOROFORMATE",017341-93-4,87063,"2,2,2-trichloroethyl carbonochloridate",C(C(Cl)(Cl)Cl)OC(=O)Cl,"InChI=1S/C3H2Cl4O2/c4-2(8)9-1-3(5,6)7/h1H2",LJCZNYWLQZZIOS-UHFFFAOYSA-N,C3H2Cl4O2,211.9,211.87794,3,26.3,107,0,0,2,2,9,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,1,1,2-TETRACHLOROETHANE",000630-20-6,12418,"1,1,1,2-tetrachloroethane",C(C(Cl)(Cl)Cl)Cl,"InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2",QVLAWKAXOMEXPM-UHFFFAOYSA-N,C2H2Cl4,167.8,167.888111,2.7,0,35,0,0,0,0,6,,"266.9 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0
OCTADECYL ISOCYANATE,000112-96-9,66988,1-isocyanatooctadecane,CCCCCCCCCCCCCCCCCCN=C=O,"InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h2-18H2,1H3",QWDQYHPOSSHSAW-UHFFFAOYSA-N,C19H37NO,295.5,295.2875148,9.8,29.4,234,0,0,2,17,21,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
9-OCTADECEN-1-AMINE,000112-90-3,5356789,(Z)-octadec-9-en-1-amine,CCCCCCCC/C=C\CCCCCCCCN,"InChI=1S/C18H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-19H2,1H3/b10-9-",QGLWBTPVKHMVHM-KTKRTIGZSA-N,C18H37N,267.5,267.2926002,7.6,26,175,0,1,1,15,19,,,1,0,0,1,1,0,1,0,0,0,0,0,0,0,0,0,1,0,1,1
TITANIUM(IV) FLUORIDE,007783-63-3,121824,tetrafluorotitanium,F[Ti](F)(F)F,InChI=1S/4FH.Ti/h4*1H;/q;;;;+4/p-4,XROWMBWRMNHXMF-UHFFFAOYSA-J,F4Ti,123.861,123.9415533,,0,19,0,0,4,0,5,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM METHYL OLEYL TAURATE,000137-20-2,23664721,sodium 2-[methyl-[(Z)-octadec-9-enoyl]amino]ethanesulfonate,CCCCCCCC/C=C\CCCCCCCC(=O)N(C)CCS(=O)(=O)[O-].[Na+],"InChI=1S/C21H41NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22(2)19-20-27(24,25)26;/h10-11H,3-9,12-20H2,1-2H3,(H,24,25,26);/q;+1/p-1/b11-10-;",IZWPGJFSBABFGL-GMFCBQQYSA-M,C21H40NNaO4S,425.6,425.2575742,,85.9,489,0,0,4,18,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM UNDECYLENATE,003398-33-2,23667258,sodium undec-10-enoate,C=CCCCCCCCCC(=O)[O-].[Na+],"InChI=1S/C11H20O2.Na/c1-2-3-4-5-6-7-8-9-10-11(12)13;/h2H,1,3-10H2,(H,12,13);/q;+1/p-1",DKYPZNSPQXLRRQ-UHFFFAOYSA-M,C11H19NaO2,206.26,206.1282741,,40.1,146,0,0,2,9,14,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
1-AMINO-2-METHYL-2-PROPANETHIOL HYDROCHLORIDE,032047-53-3,13049104,1-amino-2-methylpropane-2-thiol;hydrochloride,CC(C)(CN)S.Cl,"InChI=1S/C4H11NS.ClH/c1-4(2,6)3-5;/h6H,3,5H2,1-2H3;1H",YZCAFAKJYGDMSY-UHFFFAOYSA-N,C4H12ClNS,141.66,141.0378983,,27,42,0,3,2,1,7,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
CHLOROSULFONYL ISOCYANATE,001189-71-5,70918,N-(oxomethylidene)sulfamoyl chloride,C(=NS(=O)(=O)Cl)=O,"InChI=1S/CClNO3S/c2-7(5,6)3-1-4",WRJWRGBVPUUDLA-UHFFFAOYSA-N,CClNO3S,141.53,140.9287417,1.5,72,181,0,0,4,1,7,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0
VANADYL ACETYLACETONATE,003153-26-2,2724114,"oxovanadium(2+);bis(pentane-2,4-dione)",CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.O=[V+2],"InChI=1S/2C5H7O2.O.V/c2*1-4(6)3-5(2)7;;/h2*3H,1-2H3;;/q2*-1;;+2",WVPMIMFMIGMEHW-UHFFFAOYSA-N,C10H14O5V,265.16,265.028081,,85.4,210,0,0,7,0,16,,,0,1,1,1,0,0,1,1,0,0,1,0,0,1,0,0,1,0,1,1
LEAD TELLURIDE,001314-91-6,4389803,tellanylidenelead,[Te]=[Pb],InChI=1S/Pb.Te,OCGWQDWYSQAFTO-UHFFFAOYSA-N,PbTe,335,337.88287,,0,2,0,0,0,0,2,,,1,0,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"2-CHLORO-N,N-DIETHYLACETAMIDE",002315-36-8,16844,"2-chloro-N,N-diethylacetamide",CCN(CC)C(=O)CCl,"InChI=1S/C6H12ClNO/c1-3-8(4-2)6(9)5-7/h3-5H2,1-2H3",CQQUWTMMFMJEFE-UHFFFAOYSA-N,C6H12ClNO,149.62,149.0607417,1.1,20.3,91,0,0,1,3,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-ISOPROPYLACRYLAMIDE,002210-25-5,16637,N-propan-2-ylprop-2-enamide,CC(C)NC(=O)C=C,"InChI=1S/C6H11NO/c1-4-6(8)7-5(2)3/h4-5H,1H2,2-3H3,(H,7,8)",QNILTEGFHQSKFF-UHFFFAOYSA-N,C6H11NO,113.16,113.084064,0.9,29.1,96,0,1,1,2,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
TIN (IV) FLUORIDE,007783-62-2,134654,tin(4+) tetrafluoride,[F-].[F-].[F-].[F-].[Sn+4],InChI=1S/4FH.Sn/h4*1H;/q;;;;+4/p-4,YUOWTJMRMWQJDA-UHFFFAOYSA-J,F4Sn,194.7,195.895815,,0,0,0,0,4,0,5,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
3-ETHYL-3-HEPTANOL,019780-41-7,88241,3-ethylheptan-3-ol,CCCCC(CC)(CC)O,"InChI=1S/C9H20O/c1-4-7-8-9(10,5-2)6-3/h10H,4-8H2,1-3H3",XKRZDNKKANUBPV-UHFFFAOYSA-N,C9H20O,144.25,144.1514153,3,20.2,74,0,1,1,5,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRA-N-BUTYLPHOSPHONIUM  CHLORIDE,002304-30-5,75311,tetrabutylphosphanium chloride,CCCC[P+](CCCC)(CCCC)CCCC.[Cl-],"InChI=1S/C16H36P.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1",IBWGNZVCJVLSHB-UHFFFAOYSA-M,C16H36ClP,294.9,294.2243158,,0,116,0,0,1,12,18,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
POLYOXYETHYLENE 7 LAURYL ETHER,003055-97-8,76459,2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1S/C26H54O8/c1-2-3-4-5-6-7-8-9-10-11-13-28-15-17-30-19-21-32-23-25-34-26-24-33-22-20-31-18-16-29-14-12-27/h27H,2-26H2,1H3",DWHIUNMOTRUVPG-UHFFFAOYSA-N,C26H54O8,494.7,494.3818687,4.2,84.8,347,0,1,8,31,34,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LITHIUM TETRACHLOROALUMINATE,014024-11-4,16700422,lithium tetrachloroalumanuide,[Li+].[Al-](Cl)(Cl)(Cl)Cl,InChI=1S/Al.4ClH.Li/h;4*1H;/q+3;;;;;+1/p-4,AQLRWYUVWAYZFO-UHFFFAOYSA-J,AlCl4Li,175.8,175.870002,,0,19,0,0,1,0,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ZINC TETRAFLUOROBORATE HYDRATE,027860-83-9,16212112,zinc;ditetrafluoroborate;hydrate,[B-](F)(F)(F)F.[B-](F)(F)(F)F.O.[Zn+2],"InChI=1S/2BF4.H2O.Zn/c2*2-1(3,4)5;;/h;;1H2;/q2*-1;;+2",WKVXCUNBQMAPGE-UHFFFAOYSA-N,B2F8H2OZn,257,255.945542,,1,19,0,1,11,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TRIFLUOROMETHANESULFONIC ACID-D,066178-41-4,105320,deuterio trifluoromethanesulfonate,[2H]OS(=O)(=O)C(F)(F)F,"InChI=1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)/i/hD",ITMCEJHCFYSIIV-DYCDLGHISA-N,CHF3O3S,151.09,150.9661263,0.3,62.8,158,0,1,6,0,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
HEXADECYLTRICHLOROSILANE,005894-60-0,22184,trichloro(hexadecyl)silane,CCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl,"InChI=1S/C16H33Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3",RYPYGDUZKOPBEL-UHFFFAOYSA-N,C16H33Cl3Si,359.9,358.141711,,0,193,0,0,0,14,20,295 °F (146 °C) (Closed cup),269 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
N-ETHENYLFORMAMIDE,013162-05-5,83191,N-ethenylformamide,C=CNC=O,"InChI=1S/C3H5NO/c1-2-4-3-5/h2-3H,1H2,(H,4,5)",ZQXSMRAEXCEDJD-UHFFFAOYSA-N,C3H5NO,71.08,71.03711378,0,29.1,42,0,1,1,1,5,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TANTALUM BROMIDE,013451-11-1,83480,pentabromotantalum,Br[Ta](Br)(Br)(Br)Br,InChI=1S/5BrH.Ta/h5*1H;/q;;;;;+5/p-5,GCPVYIPZZUPXPB-UHFFFAOYSA-I,Br5Ta,580.47,579.53559,,0,37,0,0,0,0,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 2-CARBOXYETHYL ESTER",024615-84-7,90558,3-prop-2-enoyloxypropanoic acid,C=CC(=O)OCCC(=O)O,"InChI=1S/C6H8O4/c1-2-6(9)10-4-3-5(7)8/h2H,1,3-4H2,(H,7,8)",CYUZOYPRAQASLN-UHFFFAOYSA-N,C6H8O4,144.12,144.0422587,0.2,63.6,150,0,1,4,5,10,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
IRON(II) TETRAFLUOROBORATE HEXAHYDRATE,013877-16-2,15762351,iron(2+);ditetrafluoroborate;hexahydrate,[B-](F)(F)(F)F.[B-](F)(F)(F)F.O.O.O.O.O.O.[Fe+2],"InChI=1S/2BF4.Fe.6H2O/c2*2-1(3,4)5;;;;;;;/h;;;6*1H2/q2*-1;+2;;;;;;",NKQGOEGCKHXNEP-UHFFFAOYSA-N,B2F8FeH12O6,337.55,338.004159,,6,19,0,6,16,0,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
INDIUM(III) CHLORIDE HYDRATE,143983-91-9,60196432,trichloroindigane;dihydrate,O.O.Cl[In](Cl)Cl,InChI=1S/3ClH.In.2H2O/h3*1H;;2*1H2/q;;;+3;;/p-3,CDMSGDWIWMVTBA-UHFFFAOYSA-K,Cl3H4InO2,257.2,255.831566,,2,8,0,2,2,0,6,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
LANTHANUM STRONTIUM COBALT OXIDE,108916-09-2,21977166,distrontium;bis(cobalt(2+));bis(lanthanum(3+));heptakis(oxygen(2-)),[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Co+2].[Co+2].[Sr+2].[Sr+2].[La+3].[La+3],InChI=1S/2Co.2La.7O.2Sr/q2*+2;2*+3;7*-2;2*+2,WMNWIUWYKHBAKA-UHFFFAOYSA-N,Co2La2O7Sr2,682.9,683.45474,,7,0,0,0,7,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"2-(AMINOMETHYL)-2-METHYL-1,3-PROPANEDIAMINE
TRIHYDROCHLORIDE",031044-82-3,53411811,"2-(aminomethyl)-2-methylpropane-1,3-diamine;trihydrochloride",CC(CN)(CN)CN.Cl.Cl.Cl,"InChI=1S/C5H15N3.3ClH/c1-5(2-6,3-7)4-8;;;/h2-4,6-8H2,1H3;3*1H",GBKDQELEERCHSD-UHFFFAOYSA-N,C5H18Cl3N3,226.6,225.056631,,78.1,50,0,6,3,3,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
BUT-3-ENOIC ACID,000625-38-7,32743,but-3-enoic acid,C=CCC(=O)O,"InChI=1S/C4H6O2/c1-2-3-4(5)6/h2H,1,3H2,(H,5,6)",PVEOYINWKBTPIZ-UHFFFAOYSA-N,C4H6O2,86.09,86.03677943,0.5,37.3,65,0,1,2,2,6,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRIDECYLAMINE,086089-17-0,22833454,8-ethylundecan-1-amine,CCCC(CC)CCCCCCCN,"InChI=1S/C13H29N/c1-3-10-13(4-2)11-8-6-5-7-9-12-14/h13H,3-12,14H2,1-2H3",KFBNTNYCQVDLBK-UHFFFAOYSA-N,C13H29N,199.38,199.2299999,5.1,26,101,0,1,1,10,14,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,6,9,12,15,18-HEXAOXATRIACONTAN-1-OL",003055-96-7,18282,2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO,"InChI=1S/C24H50O7/c1-2-3-4-5-6-7-8-9-10-11-13-26-15-17-28-19-21-30-23-24-31-22-20-29-18-16-27-14-12-25/h25H,2-24H2,1H3",OJCFEGKCRWEVSN-UHFFFAOYSA-N,C24H50O7,450.6,450.3556539,4.4,75.6,306,0,1,7,28,31,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
CUPRIC FORMATE TETRAHYDRATE,005893-61-8,6432244,copper;diformate;tetrahydrate,C(=O)[O-].C(=O)[O-].O.O.O.O.[Cu+2],"InChI=1S/2CH2O2.Cu.4H2O/c2*2-1-3;;;;;/h2*1H,(H,2,3);;4*1H2/q;;+2;;;;/p-2",LSIWWRSSSOYIMS-UHFFFAOYSA-L,C2H10CuO8,225.64,224.967164,,84.3,7,0,4,8,0,11,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"N1,N2-BIS(1,1-DIMETHYLETHYL)-1,2-ETHANEDIAMINE",004062-60-6,77680,"N,N'-ditert-butylethane-1,2-diamine",CC(C)(C)NCCNC(C)(C)C,"InChI=1S/C10H24N2/c1-9(2,3)11-7-8-12-10(4,5)6/h11-12H,7-8H2,1-6H3",KGHYGBGIWLNFAV-UHFFFAOYSA-N,C10H24N2,172.31,172.1939488,1.3,24.1,101,0,2,2,5,12,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANAL, OXIME",000110-69-0,8069,N-butylidenehydroxylamine,CCCC=NO,"InChI=1S/C4H9NO/c1-2-3-4-5-6/h4,6H,2-3H2,1H3",KGGVGTQEGGOZRN-UHFFFAOYSA-N,C4H9NO,87.12,87.06841391,0.8,32.6,42,0,1,2,2,6,"136 °F (NTP, 1992)","306 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamic acid, N-methyldithio-, sodium salt",000137-42-8,5366415,sodium N-methylcarbamodithioate,CNC(=S)[S-].[Na+],"InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1",AFCCDDWKHLHPDF-UHFFFAOYSA-M,C2H4NNaS2,129.18,128.9682858,,45.1,46,0,1,2,0,6,,BP: 110 °C /Commercial product/,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"PROPANOIC ACID, PENTAFLUORO-, SILVER(1+) SALT",000509-09-1,62355,"silver 2,2,3,3,3-pentafluoropropanoate",C(=O)(C(C(F)(F)F)(F)F)[O-].[Ag+],"InChI=1S/C3HF5O2.Ag/c4-2(5,1(9)10)3(6,7)8;/h(H,9,10);/q;+1/p-1",XAYJXAUUXJTOSI-UHFFFAOYSA-M,C3AgF5O2,270.89,269.88694,,40.1,142,0,0,7,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEXANOIC ACID, 2-BROMO-, ETHYL ESTER",000615-96-3,79072,ethyl 2-bromohexanoate,CCCCC(C(=O)OCC)Br,"InChI=1S/C8H15BrO2/c1-3-5-6-7(9)8(10)11-4-2/h7H,3-6H2,1-2H3",KOUAQOCYMAENKN-UHFFFAOYSA-N,C8H15BrO2,223.11,222.02554,3.1,26.3,115,0,0,2,6,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"THIOCYANIC ACID, BUTYL ESTER",000628-83-1,12357,butyl thiocyanate,CCCCSC#N,"InChI=1S/C5H9NS/c1-2-3-4-7-5-6/h2-4H2,1H3",HXNXAEYAXNPLHJ-UHFFFAOYSA-N,C5H9NS,115.2,115.0455705,2,49.1,71,0,0,2,3,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANEDIOIC ACID, MONOETHYL ESTER",001070-34-4,70610,4-ethoxy-4-oxobutanoic acid,CCOC(=O)CCC(=O)O,"InChI=1S/C6H10O4/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3,(H,7,8)",LOLKAJARZKDJTD-UHFFFAOYSA-N,C6H10O4,146.14,146.0579088,0.5,63.6,130,0,1,4,5,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"PROPANENITRILE, 3-(DICHLOROMETHYLSILYL)-",001071-21-2,70614,3-[dichloro(methyl)silyl]propanenitrile,C[Si](CCC#N)(Cl)Cl,"InChI=1S/C4H7Cl2NSi/c1-8(5,6)4-2-3-7/h2,4H2,1H3",PXKPPXIGPAIWDZ-UHFFFAOYSA-N,C4H7Cl2NSi,168.09,166.9724811,,23.8,114,0,0,1,2,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANENITRILE, 4-(DICHLOROMETHYLSILYL)-",001190-16-5,14479,4-[dichloro(methyl)silyl]butanenitrile,C[Si](CCCC#N)(Cl)Cl,"InChI=1S/C5H9Cl2NSi/c1-9(6,7)5-3-2-4-8/h2-3,5H2,1H3",UIFBMBZYGZSWQE-UHFFFAOYSA-N,C5H9Cl2NSi,182.12,180.9881312,,23.8,126,0,0,1,3,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"HEXANOIC ACID, 2-ETHYL-, STRONTIUM SALT",002457-02-5,102822,strontium bis(2-ethylhexanoate),CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Sr+2],"InChI=1S/2C8H16O2.Sr/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",DLWBHRIWCMOQKI-UHFFFAOYSA-L,C16H30O4Sr,374,374.1200217,,80.3,93,0,0,4,8,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
1-AMINO-2-METHYL-2-PROPANOL,002854-16-2,95102,1-amino-2-methylpropan-2-ol,CC(C)(CN)O,"InChI=1S/C4H11NO/c1-4(2,6)3-5/h6H,3,5H2,1-2H3",LXQMHOKEXZETKB-UHFFFAOYSA-N,C4H11NO,89.14,89.08406397,-0.8,46.3,42,0,2,2,1,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-DODECANAMINE, N-DODECYL-N-METHYL-",002915-90-4,76205,N-dodecyl-N-methyldodecan-1-amine,CCCCCCCCCCCCN(C)CCCCCCCCCCCC,"InChI=1S/C25H53N/c1-4-6-8-10-12-14-16-18-20-22-24-26(3)25-23-21-19-17-15-13-11-9-7-5-2/h4-25H2,1-3H3",UWHRNIXHZAWBMF-UHFFFAOYSA-N,C25H53N,367.7,367.4178007,11.4,3.2,214,0,0,1,22,26,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANAMIDE, 2-CHLORO-N-METHYL-3-OXO-",004116-10-3,20065,2-chloro-N-methyl-3-oxobutanamide,CC(=O)C(C(=O)NC)Cl,"InChI=1S/C5H8ClNO2/c1-3(8)4(6)5(9)7-2/h4H,1-2H3,(H,7,9)",XIWMZCRVSYHMER-UHFFFAOYSA-N,C5H8ClNO2,149.57,149.0243562,0.1,46.2,135,0,1,2,2,9,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"TELLURIUM IODIDE (TEI4), (T-4)-",007790-48-9,82255,,[Te](I)(I)(I)I,"InChI=1S/I4Te/c1-5(2,3)4",XCOKHDCPVWVFKS-UHFFFAOYSA-N,I4Te,635.2,637.5241,,0,19,0,0,0,0,5,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
NIOBIUM BROMIDE (NBBR5),013478-45-0,83517,pentabromoniobium,Br[Nb](Br)(Br)(Br)Br,InChI=1S/5BrH.Nb/h5*1H;/q;;;;;+5/p-5,DSYRJFDOOSKABR-UHFFFAOYSA-I,Br5Nb,492.43,491.49396,,0,37,0,0,0,0,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"SULFUROUS ACID, ZINC SALT (1:1)",013597-44-9,159685,zinc sulfite,[O-]S(=O)[O-].[Zn+2],"InChI=1S/H2O3S.Zn/c1-4(2)3;/h(H2,1,2,3);/q;+2/p-2",HSYFJDYGOJKZCL-UHFFFAOYSA-L,O3SZn,145.4,143.885957,,82.4,18,0,0,4,0,5,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"9-OCTADECEN-1-AMINE, N,N-DIMETHYL-, (Z)-",014727-68-5,5357010,"(Z)-N,N-dimethyloctadec-9-en-1-amine",CCCCCCCC/C=C\CCCCCCCCN(C)C,"InChI=1S/C20H41N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h11-12H,4-10,13-20H2,1-3H3/b12-11-",DCNHQNGFLVPROM-QXMHVHEDSA-N,C20H41N,295.5,295.3239003,8.2,3.2,208,0,0,1,16,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"2,7,9-TRIOXA-8-STANNATRIDECA-4,11-DIEN-13-OIC ACID, 8,8-DIBUTYL-3,6,10-TRIOXO-",015546-11-9,16683073,4-O-[dibutyl-[(Z)-4-methoxy-4-oxobut-2-enoyl]oxystannyl] 1-O-methyl (Z)-but-2-enedioate,CCCC[Sn](OC(=O)/C=C\C(=O)OC)(OC(=O)/C=C\C(=O)OC)CCCC,"InChI=1S/2C5H6O4.2C4H9.Sn/c2*1-9-5(8)3-2-4(6)7;2*1-3-4-2;/h2*2-3H,1H3,(H,6,7);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*3-2-;;;",WNDWDJLPMLWBHW-UDVCPWNYSA-L,C18H28O8Sn,491.1,492.08062,,105,518,0,0,8,16,27,,,0,0,0,1,0,0,1,1,0,0,1,0,0,1,0,0,1,1,1,1
"SULFURIC ACID, MONODODECYL ESTER, ALUMINUM SALT",016509-02-7,167546,aluminum dodecyl sulfate,CCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].[Al+3],"InChI=1S/3C12H26O4S.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h3*2-12H2,1H3,(H,13,14,15);/q;;;+3/p-3",BMNCMOOEMRLNKB-UHFFFAOYSA-K,C36H75AlO12S3,823.2,822.4236048,,224,230,0,0,12,33,52,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 3-(DIMETHYLAMINO)PROPYL ESTER",018526-07-3,87693,3-(dimethylamino)propyl prop-2-enoate,CN(C)CCCOC(=O)C=C,"InChI=1S/C8H15NO2/c1-4-8(10)11-7-5-6-9(2)3/h4H,1,5-7H2,2-3H3",UFQHFMGRRVQFNA-UHFFFAOYSA-N,C8H15NO2,157.21,157.1102787,1.5,29.5,132,0,0,3,6,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPANOL, 1-[[2-[[2-[(2-AMINOETHYL)AMINO]ETHYL]AMINO]ETHYL]AMINO]-",029513-72-2,122403,1-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]propan-2-ol,CC(CNCCNCCNCCN)O,"InChI=1S/C9H24N4O/c1-9(14)8-13-7-6-12-5-4-11-3-2-10/h9,11-14H,2-8,10H2,1H3",GKCQLFULQJJWIF-UHFFFAOYSA-N,C9H24N4O,204.31,204.1950114,-2.3,82.3,113,0,5,5,10,14,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
DECYL DIMETHYL OCTYL AMMONIUM CHLORIDE,032426-11-2,61906,decyl-dimethyl-octylazanium chloride,CCCCCCCCCC[N+](C)(C)CCCCCCCC.[Cl-],"InChI=1S/C20H44N.ClH/c1-5-7-9-11-13-14-16-18-20-21(3,4)19-17-15-12-10-8-6-2;/h5-20H2,1-4H3;1H/q+1;/p-1",SCXCDVTWABNWLW-UHFFFAOYSA-M,C20H44ClN,334,333.3162281,,0,198,0,0,1,16,22,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANOIC ACID, 3-MERCAPTO-, 2-ETHYLHEXYL ESTER",050448-95-8,92640,2-ethylhexyl 3-sulfanylpropanoate,CCCCC(CC)COC(=O)CCS,"InChI=1S/C11H22O2S/c1-3-5-6-10(4-2)9-13-11(12)7-8-14/h10,14H,3-9H2,1-2H3",SUODCTNNAKSRHB-UHFFFAOYSA-N,C11H22O2S,218.36,218.1340511,3.5,27.3,148,0,1,3,9,14,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"CHROMIUM CHLORIDE, BASIC",050925-66-1,6711251,chromium;hydrochloride,Cl.[Cr],InChI=1S/ClH.Cr/h1H;,YECBRSTWAYLPIM-UHFFFAOYSA-N,ClCrH,88.46,87.917182,,0,0,0,1,0,0,2,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"1-PROPANAMINE, 3-(ISOTRIDECYLOXY)-",050977-10-1,170945,3-(11-methyldodecoxy)propan-1-amine,CC(C)CCCCCCCCCCOCCCN,"InChI=1S/C16H35NO/c1-16(2)12-9-7-5-3-4-6-8-10-14-18-15-11-13-17/h16H,3-15,17H2,1-2H3",CUFBDUDYFHCIOH-UHFFFAOYSA-N,C16H35NO,257.45,257.2718647,5.3,35.3,148,0,1,2,14,18,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, BROMO-, 2,2,2-TRIFLUOROETHYL ESTER",061433-91-8,109083,"2,2,2-trifluoroethyl 2-bromoacetate",C(C(=O)OCC(F)(F)F)Br,"InChI=1S/C4H4BrF3O2/c5-1-3(9)10-2-4(6,7)8/h1-2H2",IKQJUNXXIIHEKP-UHFFFAOYSA-N,C4H4BrF3O2,220.97,219.93468,2,26.3,122,0,0,5,3,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PROPANAMINE, 3-[2-(DIMETHYLAMINO)ETHOXY]-",065573-13-9,103419,3-[2-(dimethylamino)ethoxy]propan-1-amine,CN(C)CCOCCCN,"InChI=1S/C7H18N2O/c1-9(2)5-7-10-6-3-4-8/h3-8H2,1-2H3",SCRPVVLMUUQILK-UHFFFAOYSA-N,C7H18N2O,146.23,146.1419132,-0.5,38.5,66,0,1,3,6,10,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-PROPANAMINIUM, N-ETHYL-N,N-DIMETHYL-3-[(1-OXOOCTADECYL)AMINO]-, ETHYL SULFAT",067846-16-6,105793,ethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium;ethyl sulfate,CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-],"InChI=1S/C25H52N2O.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(28)26-23-21-24-27(3,4)6-2;1-2-6-7(3,4)5/h5-24H2,1-4H3;2H2,1H3,(H,3,4,5)",WBJQGBBEPJLNKP-UHFFFAOYSA-N,C27H58N2O5S,522.8,522.4066441,,104,445,0,1,5,22,35,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-OCTYNOIC ACID, 2-PROPENYL ESTER",073157-43-4,155771,prop-2-enyl oct-2-ynoate,CCCCCC#CC(=O)OCC=C,"InChI=1S/C11H16O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h4H,2-3,5-7,10H2,1H3",YJHAHRNANWIZTN-UHFFFAOYSA-N,C11H16O2,180.24,180.1150297,3.8,26.3,217,0,0,2,6,13,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"1,3-PROPANEDIAMINE, N-[3-(ISODECYLOXY)PROPYL]-, DIACETATE",134883-01-5,44152754,"acetic acid;N'-[3-(8-methylnonoxy)propyl]propane-1,3-diamine",CC(C)CCCCCCCOCCCNCCCN.CC(=O)O.CC(=O)O,"InChI=1S/C16H36N2O.2C2H4O2/c1-16(2)10-6-4-3-5-7-14-19-15-9-13-18-12-8-11-17;2*1-2(3)4/h16,18H,3-15,17H2,1-2H3;2*1H3,(H,3,4)",LMEYUFCSRYCLDS-UHFFFAOYSA-N,C20H44N2O5,392.6,392.3250225,,122,194,0,4,7,15,27,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-PROPYLENEDIAMINETETRAACETIC ACID",001939-36-2,80296,2-[3-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid,C(CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O,"InChI=1S/C11H18N2O8/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)",DMQQXDPCRUGSQB-UHFFFAOYSA-N,C11H18N2O8,306.27,306.1063155,-5.5,156,330,0,4,10,12,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"alpha-(2-propylheptyl)-omega-hydroxy-Poly(oxy-1,2-ethanediyl)",160875-66-1,57591608,2-(2-propylheptoxy)ethanol,CCCCCC(CCC)COCCO,"InChI=1S/C12H26O2/c1-3-5-6-8-12(7-4-2)11-14-10-9-13/h12-13H,3-11H2,1-2H3",UKALMWDUKSISLP-UHFFFAOYSA-N,C12H26O2,202.33,202.1932801,3.6,29.5,104,0,1,2,10,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,2'-(9-OCTADECENYLIMINO)BISETHANOL",025307-17-9,6537107,2-[2-hydroxyethyl-[(E)-octadec-9-enyl]amino]ethanol,CCCCCCCC/C=C/CCCCCCCCN(CCO)CCO,"InChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25/h9-10,24-25H,2-8,11-22H2,1H3/b10-9+",BITAPBDLHJQAID-MDZDMXLPSA-N,C22H45NO2,355.6,355.3450297,6.8,43.7,263,0,2,3,20,25,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
BARIUM ACETATE,000543-80-6,10980,barium(2+) diacetate,CC(=O)[O-].CC(=O)[O-].[Ba+2],"InChI=1S/2C2H4O2.Ba/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",ITHZDDVSAWDQPZ-UHFFFAOYSA-L,C4H6BaO4,255.41,255.931856,,80.3,25,0,0,4,0,9,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM BINOXALATE,000127-95-7,23662386,potassium 2-hydroxy-2-oxoacetate,C(=O)(C(=O)[O-])O.[K+],"InChI=1S/C2H2O4.K/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+1/p-1",JMTCDHVHZSGGJA-UHFFFAOYSA-M,C2HKO4,128.13,127.95119,,77.4,87,0,1,4,1,7,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
AMMONIUM BICARBONATE,001066-33-7,14013,azanium hydrogen carbonate,C(=O)(O)[O-].[NH4+],"InChI=1S/CH2O3.H3N/c2-1(3)4;/h(H2,2,3,4);1H3",ATRRKUHOCOJYRX-UHFFFAOYSA-N,CH5NO3,79.056,79.02694302,,61.4,24,0,2,3,0,5,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,5-PENTANEDIOL",000111-29-5,8105,"pentane-1,5-diol",C(CCO)CCO,"InChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2",ALQSHHUCVQOPAS-UHFFFAOYSA-N,C5H12O2,104.15,104.0837296,-0.1,40.5,25,0,2,2,4,7,129 °C (265 °F) (open cup),240 °C,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
LITHIUM SULFATE,010377-48-7,66320,dilithium;sulfate,[Li+].[Li+].[O-]S(=O)(=O)[O-],"InChI=1S/2Li.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",INHCSSUBVCNVSK-UHFFFAOYSA-L,Li2O4S,110,109.9837365,,88.6,62,0,0,4,0,7,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
THIOMALIC ACID,000070-49-5,6268,2-sulfanylbutanedioic acid,C(C(C(=O)O)S)C(=O)O,"InChI=1S/C4H6O4S/c5-3(6)1-2(9)4(7)8/h2,9H,1H2,(H,5,6)(H,7,8)",NJRXVEJTAYWCQJ-UHFFFAOYSA-N,C4H6O4S,150.16,149.9986798,-0.4,75.6,133,0,3,5,3,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
POTASSIUM CYANATE,000590-28-3,11378442,potassium cyanate,C(#N)[O-].[K+],InChI=1S/CHNO.K/c2-1-3;/h3H;/q;+1/p-1,GKKCIDNWFBPDBW-UHFFFAOYSA-M,CKNO,81.115,80.96169511,,46.9,34,0,0,2,0,4,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TUNGSTEN TRIOXIDE,001314-35-8,14811,trioxotungsten,O=[W](=O)=O,InChI=1S/3O.W,ZNOKGRXACCSDPY-UHFFFAOYSA-N,O3W,231.84,231.935677,,51.2,61,0,0,3,0,4,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CHROMIUM SILICIDE,012018-09-6,13710602,,[Si].[Si].[Cr],InChI=1S/Cr.2Si,CHXGWONBPAADHP-UHFFFAOYSA-N,CrSi2,108.17,107.894358,,0,0,0,0,0,0,3,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
HEPTAMINOL HYDROCHLORIDE,000543-15-7,10969,6-amino-2-methylheptan-2-ol;hydrochloride,CC(CCCC(C)(C)O)N.Cl,"InChI=1S/C8H19NO.ClH/c1-7(9)5-4-6-8(2,3)10;/h7,10H,4-6,9H2,1-3H3;1H",JZNBMCOSOXIZJB-UHFFFAOYSA-N,C8H20ClNO,181.7,181.123342,,46.3,91,0,3,2,4,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2,2-TRIFLUOROETHYLAMINE HYDROCHLORIDE",000373-88-6,9772,"2,2,2-trifluoroethanamine;hydrochloride",C(C(F)(F)F)N.Cl,"InChI=1S/C2H4F3N.ClH/c3-2(4,5)1-6;/h1,6H2;1H",ZTUJDPKOHPKRMO-UHFFFAOYSA-N,C2H5ClF3N,135.51,135.0062613,,26,38,0,2,4,0,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LITHIUM ACETATE DIHYDRATE,006108-17-4,23666338,lithium;acetate;dihydrate,[Li+].CC(=O)[O-].O.O,"InChI=1S/C2H4O2.Li.2H2O/c1-2(3)4;;;/h1H3,(H,3,4);;2*1H2/q;+1;;/p-1",IAQLJCYTGRMXMA-UHFFFAOYSA-M,C2H7LiO4,102,102.0504371,,42.1,34,0,2,4,0,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
6-PHOSPHOGLUCONIC ACID BARIUM SALT,000921-62-0,91493,"(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-phosphonooxyhexanoic acid",C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,"InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1",BIRSGZKFKXLSJQ-SQOUGZDYSA-N,C6H13O10P,276.14,276.0246336,-4.5,185,299,0,7,10,7,17,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
L-CANAVANINE SULFATE,002219-31-0,11957500,(2S)-2-amino-4-(diaminomethylideneamino)oxybutanoic acid;sulfuric acid,C(CON=C(N)N)[C@@H](C(=O)O)N.OS(=O)(=O)O,"InChI=1S/C5H12N4O3.H2O4S/c6-3(4(10)11)1-2-12-9-5(7)8;1-5(2,3)4/h3H,1-2,6H2,(H,10,11)(H4,7,8,9);(H2,1,2,3,4)/t3-;/m0./s1",MVIPJKVMOKFIEV-DFWYDOINSA-N,C5H14N4O7S,274.26,274.05832,,220,259,0,6,9,5,17,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRABUTYLAMMONIUM HEXAFLUOROPHOSPHATE,003109-63-5,165075,tetrabutylazanium hexafluorophosphate,CCCC[N+](CCCC)(CCCC)CCCC.F[P-](F)(F)(F)(F)F,"InChI=1S/C16H36N.F6P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-7(2,3,4,5)6/h5-16H2,1-4H3;/q+1;-1",BKBKEFQIOUYLBC-UHFFFAOYSA-N,C16H36F6NP,387.43,387.2489561,,0,179,0,0,7,12,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM CYANATE,000917-61-3,517096,sodium cyanate,C(#N)[O-].[Na+],InChI=1S/CHNO.Na/c2-1-3;/h3H;/q;+1/p-1,ZVCDLGYNFYZZOK-UHFFFAOYSA-M,CNNaO,65.007,64.98775791,,46.9,34,0,0,2,0,4,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
EUROPIUM(III) FLUORIDE,013765-25-8,83715,trifluoroeuropium,F[Eu](F)F,InChI=1S/Eu.3FH/h;3*1H/q+3;;;/p-3,HPNURIVGONRLQI-UHFFFAOYSA-K,EuF3,208.959,209.91645,,0,8,0,0,3,0,4,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2,2-TRIBROMOETHANOL",000075-80-9,6400,"2,2,2-tribromoethanol",C(C(Br)(Br)Br)O,"InChI=1S/C2H3Br3O/c3-2(4,5)1-6/h6H,1H2",YFDSDPIBEUFTMI-UHFFFAOYSA-N,C2H3Br3O,282.76,281.77135,2.1,20.2,38,0,1,1,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEXAAMMINERUTHENIUM(III) CHLORIDE,014282-91-8,159731,azane;ruthenium(3+);trichloride,N.N.N.N.N.N.[Cl-].[Cl-].[Cl-].[Ru+3],InChI=1S/3ClH.6H3N.Ru/h3*1H;6*1H3;/q;;;;;;;;;+3/p-3,GBDZMMXUOBAJMN-UHFFFAOYSA-K,Cl3H18N6Ru,309.6,308.970193,,6,0,0,6,9,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COPPER(II) HEXAFLUOROACETYLACETONATE,014781-45-4,6260710,"copper;bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one)",C(=C(\O)/C(F)(F)F)\C(=O)C(F)(F)F.C(=C(\O)/C(F)(F)F)\C(=O)C(F)(F)F.[Cu],"InChI=1S/2C5H2F6O2.Cu/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1,12H;/b2*2-1-;",HFCSRRSYLKFYFX-PAMPIZDHSA-N,C10H4CuF12O4,479.66,478.921394,,74.6,527,0,2,16,2,27,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CARBOHYDRAZIDE,000497-18-7,73948,"1,3-diaminourea",C(=O)(NN)NN,"InChI=1S/CH6N4O/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6)",XEVRDFDBXJMZFG-UHFFFAOYSA-N,CH6N4O,90.09,90.05416083,-1.6,93.2,45,0,4,3,0,6,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
CERIUM VANADIUM OXIDE,013597-19-8,166858,cerium(3+);tetrakis(oxygen(2-));vanadium,[O-2].[O-2].[O-2].[O-2].[V].[Ce+3],InChI=1S/Ce.4O.V/q+3;4*-2;,APTSCAQNVBAWHJ-UHFFFAOYSA-N,CeO4V-5,255.06,254.82906,,4,0,-5,0,4,0,6,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
LITHIUM VANADATE,015060-59-0,167233,lithium;tris(oxygen(2-));vanadium,[Li+].[O-2].[O-2].[O-2].[V],InChI=1S/Li.3O.V/q+1;3*-2;,IZPPMPGSWJHKSD-UHFFFAOYSA-N,LiO3V-5,105.9,105.944705,,3,0,-5,0,3,0,5,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
CARBAMYL-B-METHYLCHOLINE CHLORIDE,000590-63-6,11548,2-carbamoyloxypropyl(trimethyl)azanium chloride,CC(C[N+](C)(C)C)OC(=O)N.[Cl-],"InChI=1S/C7H16N2O2.ClH/c1-6(11-7(8)10)5-9(2,3)4;/h6H,5H2,1-4H3,(H-,8,10);1H",XXRMYXBSBOVVBH-UHFFFAOYSA-N,C7H17ClN2O2,196.67,196.0978555,,52.3,140,0,1,3,4,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
COPPER STEARATE,000660-60-6,93553,copper bis(octadecanoate),CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Cu+2],"InChI=1S/2C18H36O2.Cu/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",PEVZEFCZINKUCG-UHFFFAOYSA-L,C36H70CuO4,630.5,629.457008,,80.3,196,0,0,4,30,41,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
MALEIC ACID DISODIUM SALT,000371-47-1,6364608,disodium;(Z)-but-2-enedioate,C(=C\C(=O)[O-])\C(=O)[O-].[Na+].[Na+],"InChI=1S/C4H4O4.2Na/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);;/q;2*+1/p-2/b2-1-;;",MSJMDZAOKORVFC-UAIGNFCESA-L,C4H2Na2O4,160.04,159.9748471,,80.3,108,0,0,4,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
TRIPROPYL PHOSPHATE,000513-08-6,10546,tripropyl phosphate,CCCOP(=O)(OCCC)OCCC,"InChI=1S/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3",RXPQRKFMDQNODS-UHFFFAOYSA-N,C9H21O4P,224.23,224.1177461,1.9,44.8,144,0,0,4,9,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL L-LEUCINATE HYDROCHLORIDE,007517-19-3,2723695,methyl (2S)-2-amino-4-methylpentanoate;hydrochloride,CC(C)C[C@@H](C(=O)OC)N.Cl,"InChI=1S/C7H15NO2.ClH/c1-5(2)4-6(8)7(9)10-3;/h5-6H,4,8H2,1-3H3;1H/t6-;/m0./s1",DODCBMODXGJOKD-RGMNGODLSA-N,C7H16ClNO2,181.66,181.0869564,,52.3,112,0,2,3,4,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BARIUM ZIRCONATE,012009-21-1,197132,barium(2+);tris(oxygen(2-));zirconium(4+),[O-2].[O-2].[O-2].[Zr+4].[Ba+2],InChI=1S/Ba.3O.Zr/q+2;3*-2;+4,QLFKDQYBEKOEOT-UHFFFAOYSA-N,BaO3Zr,276.55,275.79469,,3,0,0,0,3,0,5,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,2,3,3,4,4,5,5-OCTAFLUORO-1,6-HEXANEDIOL",000355-74-8,136181,"2,2,3,3,4,4,5,5-octafluorohexane-1,6-diol",C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C6H6F8O2/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16/h15-16H,1-2H2",NHEKBXPLFJSSBZ-UHFFFAOYSA-N,C6H6F8O2,262.1,262.0240047,1.5,40.5,225,0,2,10,5,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CYANOTHIOACETAMIDE,007357-70-2,1416277,2-cyanoethanethioamide,C(C#N)C(=S)N,"InChI=1S/C3H4N2S/c4-2-1-3(5)6/h1H2,(H2,5,6)",BHPYMZQTCPRLNR-UHFFFAOYSA-N,C3H4N2S,100.14,100.0095193,-0.4,81.9,98,0,1,2,1,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRI(PROPYLENE GLYCOL)METHYL ETHER,020324-33-8,30111,1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol,CC(COC(C)COC(C)COC)O,"InChI=1S/C10H22O4/c1-8(11)5-13-10(3)7-14-9(2)6-12-4/h8-11H,5-7H2,1-4H3",HPFDGTFXAVIVTH-UHFFFAOYSA-N,C10H22O4,206.28,206.1518092,0.4,47.9,129,0,1,4,8,14,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,6-HEXANEDITHIOL",001191-43-1,14491,"hexane-1,6-dithiol",C(CCCS)CCS,"InChI=1S/C6H14S2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2",SRZXCOWFGPICGA-UHFFFAOYSA-N,C6H14S2,150.3,150.0536928,2.2,2,31,0,2,2,5,8,,118.00 to 119.00 °C. @ 15.00 mm Hg,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
IRIDIUM (III) CHLORIDE TRIHYDRATE,013569-57-8,6102153,trichloroiridium;trihydrate,O.O.O.Cl[Ir](Cl)Cl,InChI=1S/3ClH.Ir.3H2O/h3*1H;;3*1H2/q;;;+3;;;/p-3,LNJXVUXPFZKMNF-UHFFFAOYSA-K,Cl3H6IrO3,352.62,351.90118,,3,8,0,3,3,0,7,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BARIUM HYDROGEN PHOSPHATE,010048-98-3,6096957,barium(2+);hydrogen phosphate,OP(=O)([O-])[O-].[Ba+2],"InChI=1S/Ba.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;/p-2",LYSTYSFIGYAXTG-UHFFFAOYSA-L,BaHO4P,233.31,233.866493,,83.4,46,0,1,4,0,6,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIETHYLPHOSPHONOACETIC ACID,003095-95-2,36704,2-diethoxyphosphorylacetic acid,CCOP(=O)(CC(=O)O)OCC,"InChI=1S/C6H13O5P/c1-3-10-12(9,11-4-2)5-6(7)8/h3-5H2,1-2H3,(H,7,8)",DVQMPWOLBFKUMM-UHFFFAOYSA-N,C6H13O5P,196.14,196.0500605,-0.2,72.8,180,0,1,5,6,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
8-BROMO-1-OCTANOL,050816-19-8,162607,8-bromooctan-1-ol,C(CCCCBr)CCCO,"InChI=1S/C8H17BrO/c9-7-5-3-1-2-4-6-8-10/h10H,1-8H2",GMXIEASXPUEOTG-UHFFFAOYSA-N,C8H17BrO,209.12,208.04628,2.8,20.2,57,0,1,1,7,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
STRONTIUM OXALATE,000814-95-9,69947,strontium oxalate,C(=O)(C(=O)[O-])[O-].[Sr+2],"InChI=1S/C2H2O4.Sr/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",KQAGKTURZUKUCH-UHFFFAOYSA-L,C2O4Sr,175.64,175.8852707,,80.3,60,0,0,4,0,7,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TIN (II) TELLURIDE,012040-02-7,6432000,tellanylidenetin,[Sn]=[Te],InChI=1S/Sn.Te,WYUZTTNXJUJWQQ-UHFFFAOYSA-N,SnTe,246.3,249.808425,,0,2,0,0,0,0,2,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BARIUM HYDRIDE (BAH2),013477-09-3,83513,barium(2+);hydride,[H-].[H-].[Ba+2],InChI=1S/Ba.2H/q+2;2*-1,BPYQMQIZFKTCMA-UHFFFAOYSA-N,BaH2,139.34,139.920897,,0,0,0,0,2,0,1,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CHROMIUM (III) PHOSPHATE,010101-59-4,53471880,chromium(3+);phosphate;tetrahydrate,O.O.O.O.[O-]P(=O)([O-])[O-].[Cr+3],"InChI=1S/Cr.H3O4P.4H2O/c;1-5(2,3)4;;;;/h;(H3,1,2,3,4);4*1H2/q+3;;;;;/p-3",BVZHAJJRIRDSTG-UHFFFAOYSA-K,CrH8O8P,219.03,218.936184,,90.3,36,0,4,8,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N-((TRIETHOXYSILYL)METHYL)-1,6-HEXANEDIAMINE",015129-36-9,27058,"N'-(triethoxysilylmethyl)hexane-1,6-diamine",CCO[Si](CNCCCCCCN)(OCC)OCC,"InChI=1S/C13H32N2O3Si/c1-4-16-19(17-5-2,18-6-3)13-15-12-10-8-7-9-11-14/h15H,4-14H2,1-3H3",RRQTYXHHYIJDFB-UHFFFAOYSA-N,C13H32N2O3Si,292.49,292.2182194,,65.7,180,0,2,5,14,19,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BIS(TRIMETHOXYSILYL)DECANE",832079-33-1,23615110,trimethoxy(1-trimethoxysilyldecan-2-yl)silane,CCCCCCCCC(C[Si](OC)(OC)OC)[Si](OC)(OC)OC,"InChI=1S/C16H38O6Si2/c1-8-9-10-11-12-13-14-16(24(20-5,21-6)22-7)15-23(17-2,18-3)19-4/h16H,8-15H2,1-7H3",GNBPMOQUHWCSGK-UHFFFAOYSA-N,C16H38O6Si2,382.64,382.220692,,55.4,282,0,0,6,16,24,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2,3,3,4,4-HEXAFLUORO-1,5-PENTANEDIOL",000376-90-9,67831,"2,2,3,3,4,4-hexafluoropentane-1,5-diol",C(C(C(C(CO)(F)F)(F)F)(F)F)O,"InChI=1S/C5H6F6O2/c6-3(7,1-12)5(10,11)4(8,9)2-13/h12-13H,1-2H2",IELVMUPSWDZWSD-UHFFFAOYSA-N,C5H6F6O2,212.09,212.0271984,0.8,40.5,162,0,2,8,4,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAETHYLAMMONIUM CHLORIDE MONOHYDRATE,068696-18-4,16211205,tetraethylazanium;chloride;hydrate,CC[N+](CC)(CC)CC.O.[Cl-],"InChI=1S/C8H20N.ClH.H2O/c1-5-9(6-2,7-3)8-4;;/h5-8H2,1-4H3;1H;1H2/q+1;;/p-1",CALLTGJPWMIDPC-UHFFFAOYSA-M,C8H22ClNO,183.72,183.138992,,1,47,0,1,2,4,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ZINC FORMATE DIHYDRATE,005970-62-7,57350948,zinc;diformate;dihydrate,C(=O)[O-].C(=O)[O-].O.O.[Zn+2],"InChI=1S/2CH2O2.2H2O.Zn/c2*2-1-3;;;/h2*1H,(H,2,3);2*1H2;/q;;;;+2/p-2",AJWXULAAWUPOJS-UHFFFAOYSA-L,C2H6O6Zn,191.4,189.94558,,82.3,7,0,2,6,0,9,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,3-BUTANETRIOL",004435-50-1,20497,"butane-1,2,3-triol",CC(C(CO)O)O,"InChI=1S/C4H10O3/c1-3(6)4(7)2-5/h3-7H,2H2,1H3",YAXKTBLXMTYWDQ-UHFFFAOYSA-N,C4H10O3,106.12,106.0629942,-1.3,60.7,46,0,3,3,2,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-AMINOPROPANAMIDE HYDROCHLORIDE,064017-81-8,22222288,3-aminopropanamide;hydrochloride,C(CN)C(=O)N.Cl,"InChI=1S/C3H8N2O.ClH/c4-2-1-3(5)6;/h1-2,4H2,(H2,5,6);1H",GAGJMOQGABUOBK-UHFFFAOYSA-N,C3H9ClN2O,124.57,124.0403406,,69.1,52,0,3,2,2,7,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(Z,Z)-2,4-HEXADIENEDIOIC ACID",001119-72-8,5280518,"(2Z,4Z)-hexa-2,4-dienedioic acid",C(=C\C(=O)O)\C=C/C(=O)O,"InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2-",TXXHDPDFNKHHGW-CCAGOZQPSA-N,C6H6O4,142.11,142.0266087,0.2,74.6,168,0,2,4,3,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMMONIUM-D4 THIOCYANATE,036700-77-3,16212522,tetradeuterioazanium thiocyanate,[2H][N+]([2H])([2H])[2H].C(#N)[S-],InChI=1S/CHNS.H3N/c2-1-3;/h3H;1H3/i/hD4,SOIFLUNRINLCBN-JBISRTOLSA-N,CH4N2S,80.15,80.03462629,,25.8,31,0,1,2,0,4,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
LITHIUM CHLORIDE-POTASSIUM CHLORIDE,065567-96-6,16213218,lithium;potassium;dichloride,[Li+].[Cl-].[Cl-].[K+],InChI=1S/2ClH.K.Li/h2*1H;;/q;;2*+1/p-2,HCQWRNRRURULEY-UHFFFAOYSA-L,Cl2KLi,117,115.9174153,,0,0,0,0,2,0,4,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-HOMOCYSTEINE,006027-13-0,91552,(2S)-2-amino-4-sulfanylbutanoic acid,C(CS)[C@@H](C(=O)O)N,"InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1",FFFHZYDWPBMWHY-VKHMYHEASA-N,C4H9NO2S,135.19,135.0353997,-3.4,64.3,86,0,3,4,3,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM CARBONATE-13C,122570-45-0,12598077,dipotassium;oxo(113C)methanediolate,[13C](=O)([O-])[O-].[K+].[K+],"InChI=1S/CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2/i1+1;;",BWHMMNNQKKPAPP-GOCMCNPZSA-L,CK2O3,139.198,138.9155117,,63.2,18,0,0,3,0,6,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MESYLACETONITRILE,002274-42-2,75283,2-methylsulfonylacetonitrile,CS(=O)(=O)CC#N,"InChI=1S/C3H5NO2S/c1-7(5,6)3-2-4/h3H2,1H3",FOTRKCAZUSJCQD-UHFFFAOYSA-N,C3H5NO2S,119.14,119.0040996,-1.4,66.3,177,0,0,3,1,7,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TERT-BUTYL (10-AMINODECYL)CARBAMATE,216961-61-4,4215181,tert-butyl N-(10-aminodecyl)carbamate,CC(C)(C)OC(=O)NCCCCCCCCCCN,"InChI=1S/C15H32N2O2/c1-15(2,3)19-14(18)17-13-11-9-7-5-4-6-8-10-12-16/h4-13,16H2,1-3H3,(H,17,18)",RSAPJHYIFKJREV-UHFFFAOYSA-N,C15H32N2O2,272.43,272.2463783,3.6,64.4,225,0,2,3,12,19,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MAGNESIUM HYPOPHOSPHITE,010377-57-8,118984374,magnesium phosphenous acid,OP=O.OP=O.[Mg+2],"InChI=1S/Mg.2HO2P/c;2*1-3-2/h;2*(H,1,2)/q+2;;",SEQVSYFEKVIYCP-UHFFFAOYSA-N,H2MgO4P2+2,152.27,151.9278742,,74.6,10,2,2,4,0,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"CARBAMIMIDOTHIOIC ACID, 2-AMINOETHYL ESTER, DIHYDROBROMIDE",000056-10-0,5940,2-aminoethyl carbamimidothioate;dihydrobromide,C(CSC(=N)N)N.Br.Br,"InChI=1S/C3H9N3S.2BrH/c4-1-2-7-3(5)6;;/h1-2,4H2,(H3,5,6);2*1H",XDVMCVGTDUKDHL-UHFFFAOYSA-N,C3H11Br2N3S,281.02,280.90199,,101,63,0,5,3,3,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propanol, 1,1,1-trichloro-2-methyl-",000057-15-8,5977,"1,1,1-trichloro-2-methylpropan-2-ol",CC(C)(C(Cl)(Cl)Cl)O,"InChI=1S/C4H7Cl3O/c1-3(2,8)4(5,6)7/h8H,1-2H3",OSASVXMJTNOKOY-UHFFFAOYSA-N,C4H7Cl3O,177.45,175.956248,2,20.2,83,0,1,1,0,8,,167 °C,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-BUTENE-1,4-DIOL",000110-64-5,8065,"but-2-ene-1,4-diol",C(C=CCO)O,"InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2",ORTVZLZNOYNASJ-UHFFFAOYSA-N,C4H8O2,88.11,88.05242949,-0.8,40.5,34,0,2,2,2,6,128 °C,141-149 °C AT 20 MM HG,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CARBONODITHIOIC ACID, O-(1-METHYLETHYL) ESTER, POTASSIUM SALT",000140-92-1,10931938,potassium propan-2-yloxymethanedithioate,CC(C)OC(=S)[S-].[K+],"InChI=1S/C4H8OS2.K/c1-3(2)5-4(6)7;/h3H,1-2H3,(H,6,7);/q;+1/p-1",ZMWBGRXFDPJFGC-UHFFFAOYSA-M,C4H7KOS2,174.3,173.9575387,,42.3,74,0,0,3,2,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"UREA, (AMINOIMINOMETHYL)-",000141-83-3,8859,diaminomethylideneurea,C(=NC(=O)N)(N)N,"InChI=1S/C2H6N4O/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7)",SQSPRWMERUQXNE-UHFFFAOYSA-N,C2H6N4O,102.1,102.0541608,-1.4,107,102,0,3,1,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-PROPANAMINIUM, 2-(ACETYLOXY)-N,N,N-TRIMETHYL-, BROMIDE",000333-31-3,92754,2-acetyloxypropyl(trimethyl)azanium bromide,CC(C[N+](C)(C)C)OC(=O)C.[Br-],"InChI=1S/C8H18NO2.BrH/c1-7(11-8(2)10)6-9(3,4)5;/h7H,6H2,1-5H3;1H/q+1;/p-1",MMVPLEUBMWUYIB-UHFFFAOYSA-M,C8H18BrNO2,240.14,239.05209,,26.3,138,0,0,3,4,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2,2,2-TRICHLORO-1-ETHOXY-",000515-83-3,10587,"2,2,2-trichloro-1-ethoxyethanol",CCOC(C(Cl)(Cl)Cl)O,"InChI=1S/C4H7Cl3O2/c1-2-9-3(8)4(5,6)7/h3,8H,2H2,1H3",DLHWKJDYXPNWAI-UHFFFAOYSA-N,C4H7Cl3O2,193.45,191.951163,1.8,29.5,80,0,1,2,2,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetonitrile, amino-",000540-61-4,10901,2-aminoacetonitrile,C(C#N)N,"InChI=1S/C2H4N2/c3-1-2-4/h1,3H2",DFNYGALUNNFWKJ-UHFFFAOYSA-N,C2H4N2,56.07,56.03744814,-1.4,49.8,39,0,1,2,0,4,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-HYDRAZINEDICARBOXALDEHYDE",000628-36-4,12342,N-formamidoformamide,C(=O)NNC=O,"InChI=1S/C2H4N2O2/c5-1-3-4-2-6/h1-2H,(H,3,5)(H,4,6)",POVXOWVFLAAVBH-UHFFFAOYSA-N,C2H4N2O2,88.07,88.02727738,-0.9,58.2,45,0,2,2,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbamic acid, dimethyl-, ethyl ester",000687-48-9,12709,"ethyl N,N-dimethylcarbamate",CCOC(=O)N(C)C,"InChI=1S/C5H11NO2/c1-4-8-5(7)6(2)3/h4H2,1-3H3",SUDHEDJJFGYYPL-UHFFFAOYSA-N,C5H11NO2,117.15,117.0789786,0.9,29.5,80,0,0,2,2,8,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANAMIDE, 2,2-DIMETHYL-",000754-10-9,12957,"2,2-dimethylpropanamide",CC(C)(C)C(=O)N,"InChI=1S/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7)",XIPFMBOWZXULIA-UHFFFAOYSA-N,C5H11NO,101.15,101.084064,0.5,43.1,80,0,1,1,1,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
7-OCTYN-1-OL,000871-91-0,70100,oct-7-yn-1-ol,C#CCCCCCCO,"InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h1,9H,3-8H2",ATCNYMVVGBLQMQ-UHFFFAOYSA-N,C8H14O,126.2,126.1044651,1.9,20.2,88,0,1,1,5,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Biurea, 1-methyl-6-(1-methylallyl)-2,5-dithio-",000926-93-2,3003791,1-but-3-en-2-yl-3-(methylcarbamothioylamino)thiourea,CC(C=C)NC(=S)NNC(=S)NC,"InChI=1S/C7H14N4S2/c1-4-5(2)9-7(13)11-10-6(12)8-3/h4-5H,1H2,2-3H3,(H2,8,10,12)(H2,9,11,13)",CGFFKDRVHZIQHL-UHFFFAOYSA-N,C7H14N4S2,218.3,218.0659888,1,112,205,0,4,2,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-BUTYN-1-OL, 4-(2-HYDROXYPROPOXY)-",001606-79-7,102654,4-(2-hydroxypropoxy)but-2-yn-1-ol,CC(COCC#CCO)O,"InChI=1S/C7H12O3/c1-7(9)6-10-5-3-2-4-8/h7-9H,4-6H2,1H3",GFDLMAQAFYECMB-UHFFFAOYSA-N,C7H12O3,144.17,144.0786442,-0.8,49.7,130,0,2,3,3,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANEDIOIC ACID, MONOETHYL ESTER, POTASSIUM SALT",001906-57-6,23678856,potassium 2-ethoxy-2-oxoacetate,CCOC(=O)C(=O)[O-].[K+],"InChI=1S/C4H6O4.K/c1-2-8-4(7)3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1",RLPQQBNSTHRHEK-UHFFFAOYSA-M,C4H5KO4,156.18,155.9824901,,66.4,111,0,0,4,3,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-DODECANAMINE, N,N-DIMETHYL-, ACETATE",001920-05-4,12260037,"acetic acid;N,N-dimethyldodecan-1-amine",CCCCCCCCCCCCN(C)C.CC(=O)O,"InChI=1S/C14H31N.C2H4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-2(3)4/h4-14H2,1-3H3;1H3,(H,3,4)",UBNVDFUEPGQZQS-UHFFFAOYSA-N,C16H35NO2,273.45,273.2667794,,40.5,141,0,1,3,11,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CHLORAL BETAINE (BETA CHLOR),002218-68-0,16676,"2,2,2-trichloroethane-1,1-diol;2-(trimethylazaniumyl)acetate",C[N+](C)(C)CC(=O)[O-].C(C(Cl)(Cl)Cl)(O)O,"InChI=1S/C5H11NO2.C2H3Cl3O2/c1-6(2,3)4-5(7)8;3-2(4,5)1(6)7/h4H2,1-3H3;1,6-7H",ONAOIDNSINNZOA-UHFFFAOYSA-N,C7H14Cl3NO4,282.5,280.998841,,80.6,144,0,2,4,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"THIOUREA, TETRAMETHYL-",002782-91-4,17725,"1,1,3,3-tetramethylthiourea",CN(C)C(=S)N(C)C,InChI=1S/C5H12N2S/c1-6(2)5(8)7(3)4/h1-4H3,MNOILHPDHOHILI-UHFFFAOYSA-N,C5H12N2S,132.23,132.0721196,0.5,38.6,78,0,0,1,0,8,,"473 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanol, 2-chloro-, methanesulfonate",003570-58-9,19128,2-chloroethyl methanesulfonate,CS(=O)(=O)OCCCl,"InChI=1S/C3H7ClO3S/c1-8(5,6)7-3-2-4/h2-3H2,1H3",FMMYTRQXHORTCU-UHFFFAOYSA-N,C3H7ClO3S,158.6,157.9804429,0.2,51.8,133,0,0,3,3,8,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"HEXADECANAMIDE, N,N-DIMETHYL-",003886-91-7,19766,"N,N-dimethylhexadecanamide",CCCCCCCCCCCCCCCC(=O)N(C)C,"InChI=1S/C18H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(2)3/h4-17H2,1-3H3",UOYBMZNFJUBBNU-UHFFFAOYSA-N,C18H37NO,283.5,283.2875148,6.3,20.3,213,0,0,1,14,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANOIC ACID, 2-HYDROXY-3,3-DIMETHYL-",004026-20-4,107211,"2-hydroxy-3,3-dimethylbutanoic acid",CC(C)(C)C(C(=O)O)O,"InChI=1S/C6H12O3/c1-6(2,3)4(7)5(8)9/h4,7H,1-3H3,(H,8,9)",FWVNWTNCNWRCOU-UHFFFAOYSA-N,C6H12O3,132.16,132.0786442,0.9,57.5,112,0,2,3,2,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANOIC ACID, 2-OXO-, POTASSIUM SALT",004151-33-1,23678876,potassium 2-oxopropanoate,CC(=O)C(=O)[O-].[K+],"InChI=1S/C3H4O3.K/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1",JKVUQLWTIZFTMF-UHFFFAOYSA-M,C3H3KO3,126.15,125.9719254,,57.2,88,0,0,3,1,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, COPPER SALT",004180-12-5,77989,acetic acid;copper,CC(=O)O.[Cu],"InChI=1S/C2H4O2.Cu/c1-2(3)4;/h1H3,(H,3,4);",UMRSVAKGZBVPKD-UHFFFAOYSA-N,C2H4CuO2,123.6,122.950726,,37.3,31,0,1,2,0,5,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"N-(1,1,3,3-TETRAMETHYLBUTYL)-2-PROPENAMIDE",004223-03-4,171970,"N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide",CC(C)(C)CC(C)(C)NC(=O)C=C,"InChI=1S/C11H21NO/c1-7-9(13)12-11(5,6)8-10(2,3)4/h7H,1,8H2,2-6H3,(H,12,13)",YRDNVESFWXDNSI-UHFFFAOYSA-N,C11H21NO,183.29,183.1623143,2.8,29.1,199,0,1,1,4,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-BUTANOL, 4-BROMO-, ACETATE",004753-59-7,78491,4-bromobutyl acetate,CC(=O)OCCCCBr,"InChI=1S/C6H11BrO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3",UOABIRUEGSGTSA-UHFFFAOYSA-N,C6H11BrO2,195.05,193.99424,2,26.3,83,0,0,2,5,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"GERMANE, TETRAHEXYL-",004828-44-8,78542,tetrahexylgermane,CCCCCC[Ge](CCCCCC)(CCCCCC)CCCCCC,"InChI=1S/C24H52Ge/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4/h5-24H2,1-4H3",RWZCIAKEOCYEFU-UHFFFAOYSA-N,C24H52Ge,413.3,414.3280794,,0,195,0,0,0,20,25,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANE, 2,3-DIBROMO-",005408-86-6,21508,"2,3-dibromobutane",CC(C(C)Br)Br,"InChI=1S/C4H8Br2/c1-3(5)4(2)6/h3-4H,1-2H3",BXXWFOGWXLJPPA-UHFFFAOYSA-N,C4H8Br2,215.91,215.89723,2.6,0,30,0,0,0,1,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TRISULFIDE, DIPROPYL",006028-61-1,22383,1-(propyltrisulfanyl)propane,CCCSSSCCC,"InChI=1S/C6H14S3/c1-3-5-7-9-8-6-4-2/h3-6H2,1-2H3",GAZXPZNJTZIGBO-UHFFFAOYSA-N,C6H14S3,182.4,182.025764,3.1,75.9,41,0,0,3,6,9,,86.00 to 89.00 °C. @ 1.50 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9-OCTADECENE, 1-BROMO-, (Z)-",006110-53-8,5840383,(Z)-1-bromooctadec-9-ene,CCCCCCCC/C=C\CCCCCCCCBr,"InChI=1S/C18H35Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-18H2,1H3/b10-9-",RRQWVJIFKFIUJU-KTKRTIGZSA-N,C18H35Br,331.4,330.19221,9.4,0,175,0,0,0,15,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,3-BUTANEDIOL, 1,4-DIMERCAPTO-",007634-42-6,19001,"1,4-bis(sulfanyl)butane-2,3-diol",C(C(C(CS)O)O)S,"InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2",VHJLVAABSRFDPM-UHFFFAOYSA-N,C4H10O2S2,154.3,154.0122219,-0.4,42.5,52,0,4,4,3,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENAMIDE, N-[2-(DIETHYLAMINO)ETHYL]-",010595-45-6,82750,N-[2-(diethylamino)ethyl]prop-2-enamide,CCN(CC)CCNC(=O)C=C,"InChI=1S/C9H18N2O/c1-4-9(12)10-7-8-11(5-2)6-3/h4H,1,5-8H2,2-3H3,(H,10,12)",CXSANWNPQKKNJO-UHFFFAOYSA-N,C9H18N2O,170.25,170.1419132,0.9,32.3,141,0,1,2,6,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propane, 1,2,2,3-tetrachloro-",013116-53-5,25717,"1,2,2,3-tetrachloropropane",C(C(CCl)(Cl)Cl)Cl,"InChI=1S/C3H4Cl4/c4-1-3(6,7)2-5/h1-2H2",UDPHJTAYHSSOQB-UHFFFAOYSA-N,C3H4Cl4,181.9,181.903761,2.6,0,44,0,0,0,2,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"TELLURIC ACID (H2TEO3), CADMIUM SALT (1:1)",015851-44-2,167475,cadmium(2+) tellurite,[O-][Te](=O)[O-].[Cd+2],"InChI=1S/Cd.H2O3Te/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-2",GKMPTXZNGKKTDU-UHFFFAOYSA-L,CdO3Te,288,291.794332,,63.2,18,0,0,3,0,5,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHORODITHIOIC ACID, O,O-DIPROPYL ESTER, ANTIMONY(3+) SALT",015874-48-3,3034252,antimony(3+);tris(dipropoxy-sulfanylidene-sulfido-lambda5-phosphane),CCCOP(=S)(OCCC)[S-].CCCOP(=S)(OCCC)[S-].CCCOP(=S)(OCCC)[S-].[Sb+3],"InChI=1S/3C6H15O2PS2.Sb/c3*1-3-5-7-9(10,11)8-6-4-2;/h3*3-6H2,1-2H3,(H,10,11);/q;;;+3/p-3",LJFZXKPXORQNRR-UHFFFAOYSA-K,C18H42O6P3S6Sb,761.6,759.95566,,155,120,0,0,12,18,34,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"CYANAMIDE, MONOSODIUM SALT",017292-62-5,4293993,sodium cyanoazanide,C(#N)[NH-].[Na+],InChI=1S/CHN2.Na/c2-1-3;/h2H;/q-1;+1,MBEGFNBBAVRKLK-UHFFFAOYSA-N,CHN2Na,64.022,64.00374232,,24.8,32,0,1,2,0,4,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BUTANE, 1,4-DIBROMO-1,1,2,2-TETRAFLUORO-",018599-20-7,87719,"1,4-dibromo-1,1,2,2-tetrafluorobutane",C(CBr)C(C(F)(F)Br)(F)F,"InChI=1S/C4H4Br2F4/c5-2-1-3(7,8)4(6,9)10/h1-2H2",ASHCDEYFCNWSTR-UHFFFAOYSA-N,C4H4Br2F4,287.88,287.85954,3.5,0,114,0,0,4,3,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PENTANOL, 5-CHLORO-, ACETATE",020395-28-2,88521,5-chloropentyl acetate,CC(=O)OCCCCCCl,"InChI=1S/C7H13ClO2/c1-7(9)10-6-4-2-3-5-8/h2-6H2,1H3",ZCYVIAZIVJNAMO-UHFFFAOYSA-N,C7H13ClO2,164.63,164.0604073,2.2,26.3,93,0,0,2,6,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENAMIDE, N-(1-OXO-2-PROPENYL)-",020602-80-6,88612,N-prop-2-enoylprop-2-enamide,C=CC(=O)NC(=O)C=C,"InChI=1S/C6H7NO2/c1-3-5(8)7-6(9)4-2/h3-4H,1-2H2,(H,7,8,9)",CHDKQNHKDMEASZ-UHFFFAOYSA-N,C6H7NO2,125.13,125.0476785,0.5,46.2,142,0,1,2,2,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-HEPTADECAFLUORO-N-METHY1-OCTANESULFONAMIDE",031506-32-8,3034468,"1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-methyloctane-1-sulfonamide",CNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C9H4F17NO2S/c1-27-30(28,29)9(25,26)7(20,21)5(16,17)3(12,13)2(10,11)4(14,15)6(18,19)8(22,23)24/h27H,1H3",SRMWNTGHXHOWBT-UHFFFAOYSA-N,C9H4F17NO2S,513.17,512.9691283,5.2,54.6,746,0,1,20,8,30,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BUTANONE, 4-(METHYLTHIO)-",034047-39-7,61922,4-methylsulfanylbutan-2-one,CC(=O)CCSC,"InChI=1S/C5H10OS/c1-5(6)3-4-7-2/h3-4H2,1-2H3",DRGHCRKOWMAZAO-UHFFFAOYSA-N,C5H10OS,118.2,118.0452361,0.5,42.4,61,0,0,2,3,7,,105.00 to 107.00 °C. @ 55.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
N-NITROSO-N-BUTYL-N-(3-CARBOXYPROPYL)AMINE,038252-74-3,37993,4-[butyl(nitroso)amino]butanoic acid,CCCCN(CCCC(=O)O)N=O,"InChI=1S/C8H16N2O3/c1-2-3-6-10(9-13)7-4-5-8(11)12/h2-7H2,1H3,(H,11,12)",OAAQPYUFAOHUMT-UHFFFAOYSA-N,C8H16N2O3,188.22,188.1160924,1.2,70,161,0,1,5,7,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"CARBAMODITHIOIC ACID (HYDROXYMETHYL)METHYL-, MONOPOTASSSIUM SALT",051026-28-9,23684807,potassium N-(hydroxymethyl)-N-methylcarbamodithioate,CN(CO)C(=S)[S-].[K+],"InChI=1S/C3H7NOS2.K/c1-4(2-5)3(6)7;/h5H,2H2,1H3,(H,6,7);/q;+1/p-1",QDESFMLRHRZCSV-UHFFFAOYSA-M,C3H6KNOS2,175.32,174.9527877,,56.6,79,0,1,3,1,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHONIC ACID, [2-[[(2-CHLOROETHOXY)(2-CHLOROETHYL)PHOSPHINYL]OXY]ETHYL]-, B",058823-09-9,100854,1-[bis(2-chloroethoxy)phosphoryl]-2-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyethane,C(CP(=O)(OCCCl)OCCCl)OP(=O)(CCCl)OCCCl,"InChI=1S/C10H20Cl4O6P2/c11-1-5-17-21(15,9-4-14)20-8-10-22(16,18-6-2-12)19-7-3-13/h1-10H2",CJOFOMGFGJRPFD-UHFFFAOYSA-N,C10H20Cl4O6P2,440,439.945973,1.1,71.1,361,0,0,6,15,22,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"2-OCTENOIC ACID, 4-ETHYL-, (Z)-",060308-75-0,5354605,(Z)-4-ethyloct-2-enoic acid,CCCCC(CC)/C=C\C(=O)O,"InChI=1S/C10H18O2/c1-3-5-6-9(4-2)7-8-10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)/b8-7-",RTSYTZNKRVDRRT-FPLPWBNLSA-N,C10H18O2,170.25,170.1306798,3.5,37.3,150,0,1,2,6,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHONIC ACID, (1-HYDROXYETHYLIDENE)BIS-, TRIPOTASSIUM SALT",060376-08-1,108931,tripotassium;hydroxy-(1-hydroxy-1-phosphonatoethyl)phosphinate,CC(O)(P(=O)(O)[O-])P(=O)([O-])[O-].[K+].[K+].[K+],"InChI=1S/C2H8O7P2.3K/c1-2(3,10(4,5)6)11(7,8)9;;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;;/q;3*+1/p-3",PRHFJKSAPKLZLP-UHFFFAOYSA-K,C2H5K3O7P2,320.3,319.8421709,,144,221,0,2,7,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, IODO-, LITHIUM SALT",065749-30-6,23677321,lithium 2-iodoacetate,[Li+].C(C(=O)[O-])I,"InChI=1S/C2H3IO2.Li/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1",RZCFQIDTJPHHFJ-UHFFFAOYSA-M,C2H2ILiO2,191.9,191.92596,,40.1,46,0,0,2,1,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-Lysine, N(sup 2),(N(sup 2)-(N-(N-acetylmuramoyl)-L-alanyl)-D-alpha-glutaminy",078113-36-7,9940969,"(2S)-2-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5R)-2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-6-(octadecanoylamino)hexanoic acid",CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]([C@H](C=O)NC(=O)C)[C@@H]([C@@H](CO)O)O,"InChI=1S/C43H78N6O13/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-36(54)45-26-21-20-22-33(43(60)61)48-37(55)25-24-32(40(44)57)49-41(58)29(2)46-42(59)30(3)62-39(38(56)35(53)28-51)34(27-50)47-31(4)52/h27,29-30,32-35,38-39,51,53,56H,5-26,28H2,1-4H3,(H2,44,57)(H,45,54)(H,46,59)(H,47,52)(H,48,55)(H,49,58)(H,60,61)/t29-,30+,32+,33-,34-,35+,38+,39+/m0/s1",IKSJCVFYCIKDTB-GZZWOGMVSA-N,C43H78N6O13,887.1,886.5626866,3.6,313,1340,0,10,13,39,62,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
AZELANITRILE,001675-69-0,74295,nonanedinitrile,C(CCCC#N)CCCC#N,InChI=1S/C9H14N2/c10-8-6-4-2-1-3-5-7-9-11/h1-7H2,QXOYPGTWWXJFDI-UHFFFAOYSA-N,C9H14N2,150.22,150.1156985,1.2,47.6,146,0,0,2,6,11,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
LEUPEPTIN,024365-47-7,5284408,(2S)-2-acetamido-N-[(2S)-1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide,CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C,"InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15?,16-,17-/m0/s1",GDBQQVLCIARPGH-BSOSBYQFSA-N,C20H38N6O4,426.6,426.2954537,0.4,169,602,0,5,5,14,30,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
LANTHANUM OXALATE,014895-97-7,164654,bis(lanthanum(3+));oxalate,C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[La+3].[La+3],"InChI=1S/3C2H2O4.2La/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6",OXHNIMPTBAKYRS-UHFFFAOYSA-H,C6La2O12,541.87,541.7517,,241,60,0,0,12,0,20,,,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
CUPROUS BROMIDE,007787-70-4,24593,bromocopper,[Cu]Br,InChI=1S/BrH.Cu/h1H;/q;+1/p-1,NKNDPYCGAZPOFS-UHFFFAOYSA-M,BrCu,143.45,141.84793,,0,2,0,0,0,0,2,,1345 °C,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
CADAVERINE,000462-94-2,273,"pentane-1,5-diamine",C(CCN)CCN,InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2,VHRGRCVQAFMJIZ-UHFFFAOYSA-N,C5H14N2,102.18,102.1156985,-0.6,52,25,0,2,2,4,7,62 °C (144 °F) - closed cup,179 °C,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PETROSELINIC ACID,000593-39-5,5281125,(Z)-octadec-6-enoic acid,CCCCCCCCCCC/C=C\CCCCC(=O)O,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-",CNVZJPUDSLNTQU-SEYXRHQNSA-N,C18H34O2,282.5,282.2558803,7.3,37.3,234,0,1,2,15,20,,,1,1,0,1,0,1,1,1,0,0,0,0,0,0,0,0,1,1,1,1
"PHOSPHONIC ACID, (CHLOROMETHYL)-",002565-58-4,75723,chloromethylphosphonic acid,C(P(=O)(O)O)Cl,"InChI=1S/CH4ClO3P/c2-1-6(3,4)5/h1H2,(H2,3,4,5)",MOFCYHDQWIZKMY-UHFFFAOYSA-N,CH4ClO3P,130.47,129.9586587,-0.9,57.5,74,0,2,3,1,6,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"OCTADECEN-1-AMINE, N,N-DIMETHYL-",028061-69-0,119807,"N,N-dimethyloctadec-17-en-1-amine",CN(C)CCCCCCCCCCCCCCCCC=C,"InChI=1S/C20H41N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h4H,1,5-20H2,2-3H3",NABLCQIWURCHTP-UHFFFAOYSA-N,C20H41N,295.5,295.3239003,8.6,3.2,198,0,0,1,17,21,,,1,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
CADMIUM ACETATE DIHYDRATE,005743-04-4,6537495,cadmium(2+);diacetate;dihydrate,CC(=O)[O-].CC(=O)[O-].O.O.[Cd+2],"InChI=1S/2C2H4O2.Cd.2H2O/c2*1-2(3)4;;;/h2*1H3,(H,3,4);;2*1H2/q;;+2;;/p-2",AUIZLSZEDUYGDE-UHFFFAOYSA-L,C4H10CdO6,266.53,267.951103,,82.3,25,0,2,6,0,11,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRAMETHYLAMMONIUM FLUORIDE TETRAHYDRATE,017787-40-5,2723808,tetramethylazanium;fluoride;tetrahydrate,C[N+](C)(C)C.O.O.O.O.[F-],"InChI=1S/C4H12N.FH.4H2O/c1-5(2,3)4;;;;;/h1-4H3;1H;4*1H2/q+1;;;;;/p-1",HQFTZNVQVRRDLN-UHFFFAOYSA-M,C4H20FNO4,165.2,165.1376363,,4,19,0,4,5,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANEDIOIC ACID, DIPOTASSIUM SALT",000583-52-8,11413,dipotassium;oxalate,C(=O)(C(=O)[O-])[O-].[K+].[K+],"InChI=1S/C2H2O4.2K/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2",IRXRGVFLQOSHOH-UHFFFAOYSA-L,C2K2O4,166.22,165.9070715,,80.3,60,0,0,4,0,8,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
BARIUM 2-ETHYLHEXANOATE,002457-01-4,102821,barium(2+);bis(2-ethylhexanoate),CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ba+2],"InChI=1S/2C8H16O2.Ba/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2",VJFFDDQGMMQGTQ-UHFFFAOYSA-L,C16H30BaO4,423.7,424.119656,,80.3,93,0,0,4,8,21,,,0,0,1,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
N1-(3-(TRIMETHOXYSILYL)PROPYL)DIETHYLENETRIAMINE,035141-30-1,118771,"N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine",CO[Si](CCCNCCNCCN)(OC)OC,"InChI=1S/C10H27N3O3Si/c1-14-17(15-2,16-3)10-4-6-12-8-9-13-7-5-11/h12-13H,4-11H2,1-3H3",NHBRUUFBSBSTHM-UHFFFAOYSA-N,C10H27N3O3Si,265.43,265.1821683,,77.8,163,0,3,6,12,17,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"1H,1H,9H-HEXADECAFLUORO-1-NONANOL",000376-18-1,9779,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononan-1-ol",C(C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C9H4F16O/c10-2(11)4(14,15)6(18,19)8(22,23)9(24,25)7(20,21)5(16,17)3(12,13)1-26/h2,26H,1H2",MSXVQELLSMPBFD-UHFFFAOYSA-N,C9H4F16O,432.1,432.0006653,5.1,20.2,508,0,1,17,8,26,,,0,0,1,1,0,1,0,1,0,0,0,0,0,1,0,0,1,0,1,1
BARIUM NEODECANOATE,055172-98-0,108681,"barium(2+);bis(3,3,5,5-tetramethylhexanoate)",CC(C)(C)CC(C)(C)CC(=O)[O-].CC(C)(C)CC(C)(C)CC(=O)[O-].[Ba+2],"InChI=1S/2C10H20O2.Ba/c2*1-9(2,3)7-10(4,5)6-8(11)12;/h2*6-7H2,1-5H3,(H,11,12);/q;;+2/p-2",ROSHGJWNZDDJFF-UHFFFAOYSA-L,C20H38BaO4,479.8,480.182257,,80.3,158,0,0,4,6,25,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-HEXADECAFLUORO-1,10-DECANEDIOL",000754-96-1,2733404,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecane-1,10-diol",C(C(C(C(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C10H6F16O2/c11-3(12,1-27)5(15,16)7(19,20)9(23,24)10(25,26)8(21,22)6(17,18)4(13,14)2-28/h27-28H,1-2H2",NSKCTPBWPZPFHW-UHFFFAOYSA-N,C10H6F16O2,462.13,462.01123,4.2,40.5,518,0,2,18,9,28,,,0,0,1,1,0,1,1,1,0,0,0,0,0,1,0,0,1,0,1,1
PERFLUOROTETRADECANOIC ACID,000376-06-7,67822,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluorotetradecanoic acid",C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C14HF27O2/c15-2(16,1(42)43)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)41/h(H,42,43)",RUDINRUXCKIXAJ-UHFFFAOYSA-N,C14HF27O2,714.11,713.9545396,9,37.3,1060,0,1,29,12,43,,,0,0,1,1,0,1,0,1,0,0,0,0,0,1,0,0,1,0,1,0
"DIPHOSPHORIC ACID, BARIUM SALT (1:2)",013466-21-2,166822,bis(barium(2+));phosphonato phosphate,[O-]P(=O)([O-])OP(=O)([O-])[O-].[Ba+2].[Ba+2],"InChI=1S/2Ba.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+2;/p-4",RCUAPGYXYWSYKO-UHFFFAOYSA-J,Ba2O7P2,448.6,449.72242,,136,124,0,0,7,0,11,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"GUANIDINE, MONOHYDROBROMIDE",019244-98-5,71282,guanidine;hydrobromide,C(=N)(N)N.Br,"InChI=1S/CH5N3.BrH/c2-1(3)4;/h(H5,2,3,4);1H",VQNVZLDDLJBKNS-UHFFFAOYSA-N,CH6BrN3,139.98,138.97451,,75.9,26,0,4,1,0,5,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PALLADIUM, DIAMMINEDICHLORO-",014323-43-4,61732,azane;dichloropalladium,N.N.Cl[Pd]Cl,InChI=1S/2ClH.2H3N.Pd/h2*1H;2*1H3;/q;;;;+2/p-2,WIEZTXFTOIBIOC-UHFFFAOYSA-L,Cl2H6N2Pd,211.38,209.89428,,2,2,0,2,2,0,5,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
NICKEL DIFLUORIDE TETRAHYDRATE,013940-83-5,25021989,difluoronickel;tetrahydrate,O.O.O.O.F[Ni]F,InChI=1S/2FH.Ni.4H2O/h2*1H;;4*1H2/q;;+2;;;;/p-2,HHPKUIWWHLVHQQ-UHFFFAOYSA-L,F2H8NiO4,168.75,167.974407,,4,2,0,4,6,0,7,,,1,0,1,1,0,1,1,1,0,0,1,0,0,1,1,0,1,1,1,0
LEAD SULFIDE,001314-87-0,9794739,lead(2+) sulfide,[S-2].[Pb+2],InChI=1S/Pb.S/q+2;-2,FILXVLQXZYXBSJ-UHFFFAOYSA-N,PbS,239,239.94872,,1,0,0,0,1,0,2,,1281 °C (sublimes),1,0,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"N,N,N',N',N''-PENTAMETHYLDIETHYLENETRIAMINE",003030-47-5,18196,"N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine",CN(C)CCN(C)CCN(C)C,"InChI=1S/C9H23N3/c1-10(2)6-8-12(5)9-7-11(3)4/h6-9H2,1-5H3",UKODFQOELJFMII-UHFFFAOYSA-N,C9H23N3,173.3,173.1891977,0.3,9.7,89,0,0,3,6,12,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
POLY(ETHYLENE GLYCOL) BIS(3-AMINOPROPYL) TERMINATED,034901-14-9,76342,3-[2-(3-aminopropoxy)ethoxy]propan-1-amine,C(CN)COCCOCCCN,InChI=1S/C8H20N2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-10H2,POTQBGGWSWSMCX-UHFFFAOYSA-N,C8H20N2O2,176.26,176.1524779,-1.2,70.5,71,0,2,4,9,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHACRYLIC ACID,000079-41-4,4093,2-methylprop-2-enoic acid,CC(=C)C(=O)O,"InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)",CERQOIWHTDAKMF-UHFFFAOYSA-N,C4H6O2,86.09,86.03677943,0.9,37.3,83,0,1,2,1,6,"170 °F (NTP, 1992)","325 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,2'-OXYBIS (N,N-DIMETHYLETHYLAMINE)",003033-62-3,18204,"2-[2-(dimethylamino)ethoxy]-N,N-dimethylethanamine",CN(C)CCOCCN(C)C,"InChI=1S/C8H20N2O/c1-9(2)5-7-11-8-6-10(3)4/h5-8H2,1-4H3",GTEXIOINCJRBIO-UHFFFAOYSA-N,C8H20N2O,160.26,160.1575633,0.2,15.7,74,0,0,3,6,11,79.4 °C (Open cup),"372 °F at 760 mmHg (NIOSH, 2024)",0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
DIPROPYLENE GLYCOL METHYL ETHER ACETATE,088917-22-0,9815489,1-(1-methoxypropan-2-yloxy)propan-2-yl acetate,CC(COC)OCC(C)OC(=O)C,"InChI=1S/C9H18O4/c1-7(5-11-4)12-6-8(2)13-9(3)10/h7-8H,5-6H2,1-4H3",LAVARTIQQDZFNT-UHFFFAOYSA-N,C9H18O4,190.24,190.1205091,0.7,44.8,147,0,0,4,7,13,86 °C,209 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-CHLORO-1-NITROPROPANE,000600-25-9,11750,1-chloro-1-nitropropane,CCC([N+](=O)[O-])Cl,"InChI=1S/C3H6ClNO2/c1-2-3(4)5(6)7/h3H,2H2,1H3",XEKUXTMJEFPWCG-UHFFFAOYSA-N,C3H6ClNO2,123.54,123.0087061,1.6,45.8,69,0,0,2,1,7,"144 °F (NTP, 1992)","286 to 289 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-PROPENOIC ACID, 2-ETHOXYETHYL ESTER",000106-74-1,7827,2-ethoxyethyl prop-2-enoate,CCOCCOC(=O)C=C,"InChI=1S/C7H12O3/c1-3-7(8)10-6-5-9-4-2/h3H,1,4-6H2,2H3",FWWXYLGCHHIKNY-UHFFFAOYSA-N,C7H12O3,144.17,144.0786442,0.7,35.5,109,0,0,3,6,10,66 °C,174 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM HYDROXIDE,001310-58-3,14797,potassium hydroxide,[OH-].[K+],InChI=1S/K.H2O/h;1H2/q+1;/p-1,KWYUFKZDYYNOTN-UHFFFAOYSA-M,HKO,56.106,55.96644614,,1,2,0,1,1,0,2,,"greater than 266 °F at 760 mmHg (USCG, 1999)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"CUPRIC SULFATE, PENTAHYDRATE",007758-99-8,24463,copper;sulfate;pentahydrate,O.O.O.O.O.[O-]S(=O)(=O)[O-].[Cu+2],"InChI=1S/Cu.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2/q+2;;;;;;/p-2",JZCCFEFSEZPSOG-UHFFFAOYSA-L,CuH10O9S,249.69,248.93415,,93.6,62,0,5,9,0,11,,"1207 °F at 760 mmHg (decomposes) (NTP, 1992)",1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
PHOSPHORUS PENTACHLORIDE,010026-13-8,24819,pentachloro-lambda5-phosphane,P(Cl)(Cl)(Cl)(Cl)Cl,"InChI=1S/Cl5P/c1-6(2,3,4)5",UHZYTMXLRWXGPK-UHFFFAOYSA-N,Cl5P,208.2,207.815075,3.9,0,37,0,0,0,0,6,,"320 °F at 760 mmHg (EPA, 1998)",0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0
MERCURY CHLORIDE,010112-91-1,24956,chloromercury,Cl[Hg].Cl[Hg],InChI=1S/2ClH.2Hg/h2*1H;;/q;;2*+1/p-2,ZOMNIUBKTOKEHS-UHFFFAOYSA-L,Cl2Hg2,472.09,471.876676,,0,4,0,0,0,0,4,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIFLUOROMETHANESULFONAMIDE,000421-85-2,79001,trifluoromethanesulfonamide,C(F)(F)(F)S(=O)(=O)N,"InChI=1S/CH2F3NO2S/c2-1(3,4)8(5,6)7/h(H2,5,6,7)",KAKQVSNHTBLJCH-UHFFFAOYSA-N,CH2F3NO2S,149.09,148.975834,0.1,68.5,161,0,1,6,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BUTYNEDIAMIDE,000543-21-5,10971,but-2-ynediamide,C(#CC(=O)N)C(=O)N,"InChI=1S/C4H4N2O2/c5-3(7)1-2-4(6)8/h(H2,5,7)(H2,6,8)",JBTGHKUTYAMZEZ-UHFFFAOYSA-N,C4H4N2O2,112.09,112.0272774,-1.2,86.2,165,0,2,2,0,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, MERCAPTO-, CALCIUM SALT (2:1)",000814-71-1,13141,calcium bis(2-sulfanylacetate),C(C(=O)[O-])S.C(C(=O)[O-])S.[Ca+2],"InChI=1S/2C2H4O2S.Ca/c2*3-2(4)1-5;/h2*5H,1H2,(H,3,4);/q;;+2/p-2",CNYFJCCVJNARLE-UHFFFAOYSA-L,C4H6CaO4S2,222.3,221.9333419,,82.3,37,0,2,6,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEXANOIC ACID, TRIMETHYL-, 2-PROPENYL ESTER",068132-80-9,109507,"prop-2-enyl 5,5-dimethylheptanoate",CCC(C)(C)CCCC(=O)OCC=C,"InChI=1S/C12H22O2/c1-5-10-14-11(13)8-7-9-12(3,4)6-2/h5H,1,6-10H2,2-4H3",DMPNGAXZQQAONL-UHFFFAOYSA-N,C12H22O2,198.3,198.1619799,3.9,26.3,183,0,0,2,8,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CADMIUM SULFIDE,001306-23-6,14783,sulfanylidenecadmium,S=[Cd],InChI=1S/Cd.S,CJOBVZJTOIVNNF-UHFFFAOYSA-N,CdS,144.48,145.875436,,32.1,2,0,0,1,0,2,,,0,0,0,1,0,1,1,0,0,0,1,0,0,1,0,0,0,0,1,0
GLUFOSINATE AMMONIUM,077182-82-2,53597,azanium 2-amino-4-[hydroxy(methyl)phosphoryl]butanoate,CP(=O)(CCC(C(=O)[O-])N)O.[NH4+],"InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3",ZBMRKNMTMPPMMK-UHFFFAOYSA-N,C5H15N2O4P,198.16,198.076944,,104,187,0,3,5,3,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"1,1,2-TRICHLOROETHANE",000079-00-5,6574,"1,1,2-trichloroethane",C(C(Cl)Cl)Cl,"InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2",UBOXGVDOUJQMTN-UHFFFAOYSA-N,C2H3Cl3,133.4,131.930033,1.9,0,18,0,0,0,1,5,,"235 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
FERRIC AMMONIUM OXALATE,014221-47-7,26580,triazanium;iron(3+);oxalate,C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[NH4+].[NH4+].[NH4+].[Fe+3],"InChI=1S/3C2H2O4.Fe.3H3N/c3*3-1(4)2(5)6;;;;/h3*(H,3,4)(H,5,6);;3*1H3/q;;;+3;;;/p-3",UEUDBBQFZIMOQJ-UHFFFAOYSA-K,C6H12FeN3O12,374.02,373.977033,,244,60,0,3,12,0,22,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
NICKEL CARBONATE,003333-67-3,18746,nickel(2+) carbonate,C(=O)([O-])[O-].[Ni+2],"InChI=1S/CH2O3.Ni/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",ZULUUIKRFGGGTL-UHFFFAOYSA-L,CNiO3,118.702,117.920086,,63.2,18,0,0,3,0,5,,,1,0,1,1,0,1,1,0,0,0,1,0,0,1,1,0,1,1,1,0
AMMONIUM NICKEL SULFATE HEXAHYDRATE,015699-18-0,27455,diazanium;nickel(2+);disulfate,[NH4+].[NH4+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ni+2],"InChI=1S/2H3N.Ni.2H2O4S/c;;;2*1-5(2,3)4/h2*1H3;;2*(H2,1,2,3,4)/q;;+2;;/p-2",DAPUDVOJPZKTSI-UHFFFAOYSA-L,H8N2NiO8S2,286.9,285.907549,,179,62,0,2,8,0,13,,,1,0,1,1,0,1,1,0,0,0,1,0,0,1,1,0,0,1,1,0
2-CHLOROETHYLPHOSPHONIC ACID,016672-87-0,27982,2-chloroethylphosphonic acid,C(CCl)P(=O)(O)O,"InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)",UDPGUMQDCGORJQ-UHFFFAOYSA-N,C2H6ClO3P,144.49,143.9743087,-1,57.5,86,0,2,3,2,7,,265 °C (decomposes),0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
BIS[CARBONATO(2-)]DIHYDROXYTRILEAD,001319-46-6,14834,tris(lead(2+));dicarbonate;dihydroxide,C(=O)([O-])[O-].C(=O)([O-])[O-].[OH-].[OH-].[Pb+2].[Pb+2].[Pb+2],"InChI=1S/2CH2O3.2H2O.3Pb/c2*2-1(3)4;;;;;/h2*(H2,2,3,4);2*1H2;;;/q;;;;3*+2/p-6",RYZCLUQMCYZBJQ-UHFFFAOYSA-H,C2H2O8Pb3,780,775.90274,,128,18,0,2,8,0,13,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
AMMATE,007773-06-0,24482,azanium sulfamate,[NH4+].NS(=O)(=O)[O-],"InChI=1S/H3NO3S.H3N/c1-5(2,3)4;/h(H3,1,2,3,4);1H3",GEHMBYLTCISYNY-UHFFFAOYSA-N,H6N2O3S,114.13,114.0099132,,92.6,79,0,2,4,0,6,,"Decomposes above 392.0 °F (USCG, 1999)",1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-AMINO-1-BUTANOL,000096-20-8,22129,2-aminobutan-1-ol,CCC(CO)N,"InChI=1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3",JCBPETKZIGVZRE-UHFFFAOYSA-N,C4H11NO,89.14,89.08406397,-0.4,46.3,30,0,2,2,2,6,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
PERFLUOROBUTANESULFONIC ACID,000375-73-5,67815,"1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid",C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F,"InChI=1S/C4HF9O3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H,14,15,16)",JGTNAGYHADQMCM-UHFFFAOYSA-N,C4HF9O3S,300.1,299.9502685,2.3,62.8,387,0,1,12,3,17,,210-212 °C,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
HEPTADECAFLUORONONANOIC ACID,000375-95-1,67821,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid",C(=O)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C9HF17O2/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h(H,27,28)",UZUFPBIDKMEQEQ-UHFFFAOYSA-N,C9HF17O2,464.08,463.970508,5.6,37.3,615,0,1,19,7,28,,,0,0,1,1,0,1,0,1,0,0,0,0,0,1,0,0,0,0,1,0
SODIUM PHOSPHOTUNGSTATE,051312-42-6,16210998,trisodium;dodecakis(trioxotungsten);phosphate,[O-]P(=O)([O-])[O-].O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.[Na+].[Na+].[Na+],"InChI=1S/3Na.H3O4P.36O.12W/c;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;(H3,1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3",JBCCVVLECRSHNJ-UHFFFAOYSA-K,Na3O40PW12,2946,2945.15155,,701,98,0,0,40,0,56,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
THIONYL CHLORIDE,007719-09-7,24386,thionyl dichloride,O=S(Cl)Cl,InChI=1S/Cl2OS/c1-4(2)3,FYSNRJHAOHDILO-UHFFFAOYSA-N,Cl2OS,118.97,117.9046912,1.5,36.3,29,0,0,2,0,4,,"169 °F at 760 mmHg (NIOSH, 2024)",0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CHROMIUM(III) CHLORIDE,010025-73-7,24808,trichlorochromium,Cl[Cr](Cl)Cl,InChI=1S/3ClH.Cr/h3*1H;/q;;;+3/p-3,QSWDMMVNRMROPK-UHFFFAOYSA-K,Cl3Cr,158.35,156.847063,,0,8,0,0,0,0,4,,"Dissociates above 1300C (EPA, 1998)",0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
POTASSIUM ZINC CHROMATE (CRVI),011103-86-9,25466,potassium;dizinc;bis(dioxido(dioxo)chromium);hydroxide,[OH-].[O-][Cr](=O)(=O)[O-].[O-][Cr](=O)(=O)[O-].[K+].[Zn+2].[Zn+2],InChI=1S/2Cr.K.H2O.8O.2Zn/h;;;1H2;;;;;;;;;;/q;;+1;;;;;;4*-1;2*+2/p-1,GQKCRUJOPUHISR-UHFFFAOYSA-M,Cr2HKO9Zn2,418.9,417.66195,,162,62,0,1,9,0,14,,,1,0,1,1,0,1,1,0,0,0,1,0,0,1,0,0,0,1,0,1
MALATHION,000121-75-5,4004,diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate,CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,"InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3",JXSJBGJIGXNWCI-UHFFFAOYSA-N,C10H19O6PS2,330.4,330.0360677,2.4,128,341,0,0,8,11,19,"greater than 325 °F (NTP, 1992)","313 to 315 °F at 0.7 mmHg (decomposes) (NTP, 1992)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
UNDECAFLUOROHEXANOIC ACID AMMONIUM SALT,021615-47-4,88971,"azane;2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid",C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O.N,"InChI=1S/C6HF11O2.H3N/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17;/h(H,18,19);1H3",OWCNWICUDXNCTI-UHFFFAOYSA-N,C6H4F11NO2,331.08,331.0066382,,38.3,368,0,2,14,4,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
TETRAETHYLAMMONIUM CHLORIDE,000056-34-8,5946,tetraethylazanium chloride,CC[N+](CC)(CC)CC.[Cl-],"InChI=1S/C8H20N.ClH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1",YMBCJWGVCUEGHA-UHFFFAOYSA-M,C8H20ClN,165.7,165.1284273,,0,47,0,0,1,4,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
VANADIUM BORIDE,012007-37-3,82883,boranylidynevanadium,B#[V],InChI=1S/B.V,AUVPWTYQZMLSKY-UHFFFAOYSA-N,BV,61.76,61.953263,,0,10,0,0,0,0,2,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CADMIUM BROMIDE,007789-42-6,9816930,cadmium(2+) dibromide,[Br-].[Br-].[Cd+2],InChI=1S/2BrH.Cd/h2*1H;/q;;+2/p-2,KPWJBEFBFLRCLH-UHFFFAOYSA-L,Br2Cd,272.22,273.73799,,0,0,0,0,2,0,3,,863 °C,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, CADMIUM SALT",000543-90-8,10986,cadmium(2+) diacetate,CC(=O)[O-].CC(=O)[O-].[Cd+2],"InChI=1S/2C2H4O2.Cd/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2",LHQLJMJLROMYRN-UHFFFAOYSA-L,C4H6CdO4,230.5,231.929974,,80.3,25,0,0,4,0,9,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CADMIUM CARBONATE,000513-78-0,10564,cadmium(2+) carbonate,C(=O)([O-])[O-].[Cd+2],"InChI=1S/CH2O3.Cd/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",GKDXQAKPHKQZSC-UHFFFAOYSA-L,CCdO3,172.42,173.888109,,63.2,18,0,0,3,0,5,,,1,1,1,1,0,1,1,0,0,0,1,0,0,0,0,0,0,0,1,0
LEAD OXIDE,001335-25-7,159385,lead(2+);oxygen(2-),[O-2].[Pb+2],InChI=1S/O.Pb/q-2;+2,HTUMBQDCCIXGCV-UHFFFAOYSA-N,OPb,223,223.97157,,1,0,0,0,1,0,2,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
THIOACETAMIDE,000062-55-5,2723949,ethanethioamide,CC(=S)N,"InChI=1S/C2H5NS/c1-2(3)4/h1H3,(H2,3,4)",YUKQRDCYNOVPGJ-UHFFFAOYSA-N,C2H5NS,75.14,75.01427034,-0.3,58.1,33,0,1,1,0,4,,,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0,0
LEAD CARBONATE,000598-63-0,11727,lead(2+) carbonate,C(=O)([O-])[O-].[Pb+2],"InChI=1S/CH2O3.Pb/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2",MFEVGQHCNVXMER-UHFFFAOYSA-L,CO3Pb,267,267.9614,,63.2,18,0,0,3,0,5,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
Cerium Tris(2-ethylhexanoate),056797-01-4,62122,cerium(3+);tris(2-ethylhexanoate),CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ce+3],"InChI=1S/3C8H16O2.Ce/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3",GGVUYAXGAOIFIC-UHFFFAOYSA-K,C24H45CeO6,569.7,569.22706,,120,93,0,0,6,12,31,,,1,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,1
POTASSIUM HEXAHYDROXOANTIMONATE,012208-13-8,25524,potassium;antimony(3+);hexahydroxide,[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[K+].[Sb+3],InChI=1S/K.6H2O.Sb/h;6*1H2;/q+1;;;;;;;+3/p-6,IDVSLFDKDQVCAP-UHFFFAOYSA-H,H6KO6Sb-2,262.9,261.88396,,6,0,-2,6,6,0,8,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BORON METAL (POWDER),007440-42-8,5462311,boron,[B],InChI=1S/B,ZOXJGFHDIHLPTG-UHFFFAOYSA-N,B,10.81,11.0093052,,0,0,0,0,0,0,1,,"4,000 °C",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"STIBINE, CHLOROOXO-",007791-08-4,9793982,antimony(3+);oxygen(2-);chloride,[O-2].[Cl-].[Sb+3],InChI=1S/ClH.O.Sb/h1H;;/q;-2;+3/p-1,LIRSFCJKZQBJRK-UHFFFAOYSA-M,ClOSb,173.21,171.86758,,1,0,0,0,2,0,3,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"HEXADECANOIC ACID, 2-SULFO-, 1-METHYL ESTER, SODIUM SALT",004016-24-4,23695543,sodium 1-methoxy-1-oxohexadecane-2-sulfonate,CCCCCCCCCCCCCCC(C(=O)OC)S(=O)(=O)[O-].[Na+],"InChI=1S/C17H34O5S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17(18)22-2)23(19,20)21;/h16H,3-15H2,1-2H3,(H,19,20,21);/q;+1/p-1",HXWNOTVHFBYTKF-UHFFFAOYSA-M,C17H33NaO5S,372.5,372.1946396,,91.9,392,0,0,5,16,24,,,1,0,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
TRIBUTYL PHOSPHATE,000126-73-8,31357,tributyl phosphate,CCCCOP(=O)(OCCCC)OCCCC,"InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3",STCOOQWBFONSKY-UHFFFAOYSA-N,C12H27O4P,266.31,266.1646963,2.9,44.8,175,0,0,4,12,17,"295 °F (NTP, 1992)","552 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0
N-PENTADECANE,000629-62-9,12391,pentadecane,CCCCCCCCCCCCCCC,"InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3",YCOZIPAWZNQLMR-UHFFFAOYSA-N,C15H32,212.41,212.250401,7.7,0,84,0,0,0,12,15,,"519.13 °F at 760 mmHg (NTP, 1992)",0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"CIS-4,7,10,13,16,19-DOCOSAHEXAENOIC ACID METHYL ESTER",000301-01-9,5352978,"methyl (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate",CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)OC,"InChI=1S/C23H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18,21-22H2,1-2H3/b5-4+,8-7+,11-10+,14-13+,17-16+,20-19+",VCDLWFYODNTQOT-DMGWNJAXSA-N,C23H34O2,342.5,342.2558803,6.5,26.3,476,0,0,2,15,25,,,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"1,6-DICHLOROHEXANE",002163-00-0,16551,"1,6-dichlorohexane",C(CCCCl)CCCl,InChI=1S/C6H12Cl2/c7-5-3-1-2-4-6-8/h1-6H2,OVISMSJCKCDOPU-UHFFFAOYSA-N,C6H12Cl2,155.06,154.0316058,2.8,0,31,0,0,0,5,8,"165 °F (USCG, 1999)",,0,0,0,0,1,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
3-METHYLHEPTADECANE,,94321,3-methylheptadecane,CCCCCCCCCCCCCCC(C)CC,"InChI=1S/C18H38/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18(3)5-2/h18H,4-17H2,1-3H3",HPDKJRSKBCPMIY-UHFFFAOYSA-N,C18H38,254.5,254.2973512,9.7,0,139,0,0,0,14,18,,,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DODECANE,000112-40-3,8182,dodecane,CCCCCCCCCCCC,"InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3",SNRUBQQJIBEYMU-UHFFFAOYSA-N,C12H26,170.33,170.2034508,6.1,0,56,0,0,0,9,12,"165 °F (NTP, 1992)","421.3 °F at 760 mmHg (NTP, 1992)",0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
1-CHLOROOCTANE,000111-85-3,8142,1-chlorooctane,CCCCCCCCCl,"InChI=1S/C8H17Cl/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3",CNDHHGUSRIZDSL-UHFFFAOYSA-N,C8H17Cl,148.67,148.1018782,4.7,0,43,0,0,0,6,9,70 °C,181.5 °C @ 760 MM HG,1,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANOIC ACID, 3-METHYL-, ANHYDRIDE",001468-39-9,73847,3-methylbutanoyl 3-methylbutanoate,CC(C)CC(=O)OC(=O)CC(C)C,"InChI=1S/C10H18O3/c1-7(2)5-9(11)13-10(12)6-8(3)4/h7-8H,5-6H2,1-4H3",FREZLSIGWNCSOQ-UHFFFAOYSA-N,C10H18O3,186.25,186.1255944,2.4,43.4,163,0,0,3,6,13,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-PENTANONE, 3-ETHYL-",006137-03-7,80224,3-ethylpentan-2-one,CCC(CC)C(=O)C,"InChI=1S/C7H14O/c1-4-7(5-2)6(3)8/h7H,4-5H2,1-3H3",GSNKRSKIWFBWEG-UHFFFAOYSA-N,C7H14O,114.19,114.1044651,1.7,17.1,72,0,0,1,3,8,,,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2-PROPENOIC ACID, 2-BUTOXYETHYL ESTER",007251-90-3,23688,2-butoxyethyl prop-2-enoate,CCCCOCCOC(=O)C=C,"InChI=1S/C9H16O3/c1-3-5-6-11-7-8-12-9(10)4-2/h4H,2-3,5-8H2,1H3",PTJDGKYFJYEAOK-UHFFFAOYSA-N,C9H16O3,172.22,172.1099444,1.8,35.5,132,0,0,3,8,12,,,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"8-OXA-3,5-DITHIA-4-STANNADOCOSANOIC ACID, 4,4-DIBUTYL-7-OXO-, TETRADECYL ESTER",083833-21-0,9577816,tetradecyl 2-[dibutyl-(2-oxo-2-tetradecoxyethyl)sulfanylstannyl]sulfanylacetate,CCCCCCCCCCCCCCOC(=O)CS[Sn](CCCC)(CCCC)SCC(=O)OCCCCCCCCCCCCCC,"InChI=1S/2C16H32O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15-19;2*1-3-4-2;/h2*19H,2-15H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2",JVVULFHXDXRODO-UHFFFAOYSA-L,C40H80O4S2Sn,807.9,808.452006,,103,623,0,0,6,40,47,,,0,1,1,0,0,0,0,0,0,0,1,0,0,1,0,0,1,1,1,0
"TRIETHYLBORANE-1,3-DIAMINOPROPANE COMPLEX",148861-07-8,56845282,"propane-1,3-diamine;triethylborane",B(CC)(CC)CC.C(CN)CN,"InChI=1S/C6H15B.C3H10N2/c1-4-7(5-2)6-3;4-2-1-3-5/h4-6H2,1-3H3;1-5H2",IJUCBZFJEAVADL-UHFFFAOYSA-N,C9H25BN2,172.12,172.211079,,52,38,0,2,2,5,12,,,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
FOSAMINE AMMONIUM,025954-13-6,33256,azanium carbamoyl(ethoxy)phosphinate,CCOP(=O)(C(=O)N)[O-].[NH4+],"InChI=1S/C3H8NO4P.H3N/c1-2-8-9(6,7)3(4)5;/h2H2,1H3,(H2,4,5)(H,6,7);1H3",OTSAMNSACVKIOJ-UHFFFAOYSA-N,C3H11N2O4P,170.1,170.0456438,,93.5,148,0,2,4,3,10,,,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
SODIUM CALCIUM HYDRATE,008006-28-8,66545795,sodium;oxocalcium;hydroxide,[OH-].O=[Ca].[Na+],InChI=1S/Ca.Na.H2O.O/h;;1H2;/q;+1;;/p-1,HUAUNKAZQWMVFY-UHFFFAOYSA-M,CaHNaO2,96.07,95.9500144,,18.1,4,0,1,2,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM BISULFATE,007646-93-7,516920,potassium hydrogen sulfate,OS(=O)(=O)[O-].[K+],"InChI=1S/K.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+1;/p-1",CHKVPAROMQMJNQ-UHFFFAOYSA-M,HKO4S,136.17,135.9232612,,85.8,93,0,1,4,0,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
3-IODOPROPIONIC ACID,000141-76-4,8856,3-iodopropanoic acid,C(CI)C(=O)O,"InChI=1S/C3H5IO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)",KMRNTNDWADEIIX-UHFFFAOYSA-N,C3H5IO2,199.97,199.93343,1,37.3,52,0,1,2,2,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PYRUVIC ACID,000127-17-3,1060,2-oxopropanoic acid,CC(=O)C(=O)O,"InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)",LCTONWCANYUPML-UHFFFAOYSA-N,C3H4O3,88.06,88.01604399,-0.3,54.4,84,0,1,3,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
OXALACETIC ACID,000328-42-7,970,2-oxobutanedioic acid,C(C(=O)C(=O)O)C(=O)O,"InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)",KHPXUQMNIQBQEV-UHFFFAOYSA-N,C4H4O5,132.07,132.0058732,-0.6,91.7,158,0,2,5,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SPERMIDINE,000124-20-9,1102,"N'-(3-aminopropyl)butane-1,4-diamine",C(CCNCCCN)CN,"InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2",ATHGHQPFGPMSJY-UHFFFAOYSA-N,C7H19N3,145.25,145.1578976,-1,64.1,56,0,3,3,7,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PENTAFLUOROPROPIONIC ACID,000422-64-0,62356,"2,2,3,3,3-pentafluoropropanoic acid",C(=O)(C(C(F)(F)F)(F)F)O,"InChI=1S/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)",LRMSQVBRUNSOJL-UHFFFAOYSA-N,C3HF5O2,164.03,163.9896701,1.6,37.3,147,0,1,7,1,10,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
AMINOMETHANESULFONIC ACID,013881-91-9,83791,aminomethanesulfonic acid,C(N)S(=O)(=O)O,"InChI=1S/CH5NO3S/c2-1-6(3,4)5/h1-2H2,(H,3,4,5)",OBESRABRARNZJB-UHFFFAOYSA-N,CH5NO3S,111.12,110.9990142,-4,88.8,107,0,2,4,1,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CERIUM(IV) SULFATE,013590-82-4,159684,cerium(4+) disulfate,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ce+4],"InChI=1S/Ce.2H2O4S/c;2*1-5(2,3)4/h;2*(H2,1,2,3,4)/q+4;;/p-4",VZDYWEUILIUIDF-UHFFFAOYSA-J,CeO8S2,332.25,331.80891,,177,62,0,0,8,0,11,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
CESIUM OXIDE,020281-00-9,88456,dicesium;hydroxide,[OH-].[Cs+].[Cs+],InChI=1S/2Cs.H2O/h;;1H2/q2*+1;/p-1,AKUNKIJLSDQFLS-UHFFFAOYSA-M,Cs2HO+,282.818,282.8136436,,1,2,1,1,1,0,3,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM TRIMETHYLSILANOLATE,010519-96-7,23668039,potassium trimethyl(oxido)silane,C[Si](C)(C)[O-].[K+],"InChI=1S/C3H9OSi.K/c1-5(2,3)4;/h1-3H3;/q-1;+1",LBKJNHPKYFYCLL-UHFFFAOYSA-N,C3H9KOSi,128.29,128.0059729,,23.1,32,0,0,1,0,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CAPROIC ANHYDRIDE,002051-49-2,74918,hexanoyl hexanoate,CCCCCC(=O)OC(=O)CCCCC,"InChI=1S/C12H22O3/c1-3-5-7-9-11(13)15-12(14)10-8-6-4-2/h3-10H2,1-2H3",PKHMTIRCAFTBDS-UHFFFAOYSA-N,C12H22O3,214.3,214.1568946,3.7,43.4,167,0,0,3,10,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
OLEOYL CHLORIDE,000112-77-6,5364783,(Z)-octadec-9-enoyl chloride,CCCCCCCC/C=C\CCCCCCCC(=O)Cl,"InChI=1S/C18H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3/b10-9-",MLQBTMWHIOYKKC-KTKRTIGZSA-N,C18H33ClO,300.9,300.2219934,8.3,17.1,236,0,0,1,15,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
BISMUTH(III) IODIDE,007787-64-6,111042,triiodobismuthane,I[Bi](I)I,InChI=1S/Bi.3HI/h;3*1H/q+3;;;/p-3,KOECRLKKXSXCPB-UHFFFAOYSA-K,BiI3,589.6938,589.6938,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ADIPOYL CHLORIDE,000111-50-2,61034,hexanedioyl dichloride,C(CCC(=O)Cl)CC(=O)Cl,InChI=1S/C6H8Cl2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,PWAXUOGZOSVGBO-UHFFFAOYSA-N,C6H8Cl2O2,183.03,181.9901349,2,34.1,118,0,0,2,5,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CHLORODIMETHYLOCTADECYLSILANE,018643-08-8,87738,chloro-dimethyl-octadecylsilane,CCCCCCCCCCCCCCCCCC[Si](C)(C)Cl,"InChI=1S/C20H43ClSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2,3)21/h4-20H2,1-3H3",GZGREZWGCWVAEE-UHFFFAOYSA-N,C20H43ClSi,347.1,346.2822556,,0,216,0,0,0,17,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TRIPHOSGENE,032315-10-9,94429,bis(trichloromethyl) carbonate,C(=O)(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl,"InChI=1S/C3Cl6O3/c4-2(5,6)11-1(10)12-3(7,8)9",UCPYLLCMEDAXFR-UHFFFAOYSA-N,C3Cl6O3,296.7,295.79491,4.4,35.5,150,0,0,3,2,12,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SILVER HEXAFLUOROPHOSPHATE,026042-63-7,168464,silver hexafluorophosphate,F[P-](F)(F)(F)(F)F.[Ag+],"InChI=1S/Ag.F6P/c;1-7(2,3,4,5)6/q+1;-1",SCQBROMTFBBDHF-UHFFFAOYSA-N,AgF6P,252.832,251.86927,,0,62,0,0,7,0,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1H,1H,2H,2H-PERFLUORODECYLTRIETHOXYSILANE",101947-16-4,145374,"triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane",CCO[Si](CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OCC)OCC,"InChI=1S/C16H19F17O3Si/c1-4-34-37(35-5-2,36-6-3)8-7-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h4-8H2,1-3H3",MLXDKRSDUJLNAB-UHFFFAOYSA-N,C16H19F17O3Si,610.38,610.0831998,,27.7,736,0,0,20,15,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM OXIDE,012136-45-7,9989219,dipotassium;oxygen(2-),[O-2].[K+].[K+],InChI=1S/2K.O/q2*+1;-2,CHWRSCGUEQEHOH-UHFFFAOYSA-N,K2O,94.196,93.92232759,,1,0,0,0,1,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
OCTYLTRICHLOROSILANE,005283-66-9,21354,trichloro(octyl)silane,CCCCCCCC[Si](Cl)(Cl)Cl,"InChI=1S/C8H17Cl3Si/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3",RCHUVCPBWWSUMC-UHFFFAOYSA-N,C8H17Cl3Si,247.7,246.01651,,0,101,0,0,0,6,12,,232 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRIFLUOROACETIC ACID-D,000599-00-8,71502,"deuterio 2,2,2-trifluoroacetate",[2H]OC(=O)C(F)(F)F,"InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)/i/hD",DTQVDTLACAAQTR-DYCDLGHISA-N,C2HF3O2,115.03,114.9991405,0.9,37.3,83,0,1,5,0,7,,,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
L-GLUTAMIC ACID HYDROCHLORIDE,000138-15-8,2723891,(2S)-2-aminopentanedioic acid;hydrochloride,C(CC(=O)O)[C@@H](C(=O)O)N.Cl,"InChI=1S/C5H9NO4.ClH/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H/t3-;/m0./s1",RPAJSBKBKSSMLJ-DFWYDOINSA-N,C5H10ClNO4,183.59,183.0298355,,101,145,0,4,5,4,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
METHYLENEDIPHOSPHONIC ACID,001984-15-2,16124,phosphonomethylphosphonic acid,C(P(=O)(O)O)P(=O)(O)O,"InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)",MBKDYNNUVRNNRF-UHFFFAOYSA-N,CH6O6P2,176,175.9639619,-3.3,115,151,0,4,6,2,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ALUMINUM IODIDE,007784-23-8,82222,triiodoalumane,[Al](I)(I)I,InChI=1S/Al.3HI/h;3*1H/q+3;;;/p-3,CECABOMBVQNBEC-UHFFFAOYSA-K,AlI3,407.6949,407.695,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
2-CHLORO-N-(HYDROXYMETHYL)ACETAMIDE,002832-19-1,62466,2-chloro-N-(hydroxymethyl)acetamide,C(C(=O)NCO)Cl,"InChI=1S/C3H6ClNO2/c4-1-3(7)5-2-6/h6H,1-2H2,(H,5,7)",TXNSZCSYBXHETP-UHFFFAOYSA-N,C3H6ClNO2,123.54,123.0087061,-0.4,49.3,66,0,2,2,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
AMMONIUM HEXAFLUOROPHOSPHATE,016941-11-0,9793912,azanium hexafluorophosphate,[NH4+].F[P-](F)(F)(F)(F)F,"InChI=1S/F6P.H3N/c1-7(2,3,4,5)6;/h;1H3/q-1;/p+1",NIZXKAYXSNUDOU-UHFFFAOYSA-O,F6H4NP,163.003,162.9985551,,1,62,0,1,7,0,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
2-(TRIFLUOROMETHYL)ACRYLIC ACID,000381-98-6,587694,2-(trifluoromethyl)prop-2-enoic acid,C=C(C(=O)O)C(F)(F)F,"InChI=1S/C4H3F3O2/c1-2(3(8)9)4(5,6)7/h1H2,(H,8,9)",VLSRKCIBHNJFHA-UHFFFAOYSA-N,C4H3F3O2,140.06,140.0085138,1.3,37.3,146,0,1,5,1,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TERT-BUTYLACETIC ACID,001070-83-3,14057,"3,3-dimethylbutanoic acid",CC(C)(C)CC(=O)O,"InChI=1S/C6H12O2/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H,7,8)",MLMQPDHYNJCQAO-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,1.4,37.3,89,0,1,2,2,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"DAB-AM-4 POLYPROPYLENIMINE TETRAAMINE DENDRIMER, GENERATION 1.0",120239-63-6,4453621,"N,N,N',N'-tetrakis(3-aminopropyl)butane-1,4-diamine",C(CCN(CCCN)CCCN)CN(CCCN)CCCN,InChI=1S/C16H40N6/c17-7-3-13-21(14-4-8-18)11-1-2-12-22(15-5-9-19)16-6-10-20/h1-20H2,LYBWJVKFJAIODE-UHFFFAOYSA-N,C16H40N6,316.53,316.3314453,-1.3,111,177,0,4,6,17,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
O-PHOSPHO-L-THREONINE,001114-81-4,3246323,"(2S,3R)-2-amino-3-phosphonooxybutanoic acid",C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O,"InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1",USRGIUJOYOXOQJ-GBXIJSLDSA-N,C4H10NO6P,199.1,199.024574,-4.7,130,212,0,4,7,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DICHLOROMETHYLOCTADECYLSILANE,005157-75-5,78835,dichloro-methyl-octadecylsilane,CCCCCCCCCCCCCCCCCC[Si](C)(Cl)Cl,"InChI=1S/C19H40Cl2Si/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2,20)21/h3-19H2,1-2H3",GYWBHBXGYTYXRG-UHFFFAOYSA-N,C19H40Cl2Si,367.5,366.2276332,,0,219,0,0,0,17,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
3-ACRYLOXYPROPYLTRIMETHOXYSILANE,004369-14-6,151204,3-trimethoxysilylpropyl prop-2-enoate,CO[Si](CCCOC(=O)C=C)(OC)OC,"InChI=1S/C9H18O5Si/c1-5-9(10)14-7-6-8-15(11-2,12-3)13-4/h5H,1,6-8H2,2-4H3",KBQVDAIIQCXKPI-UHFFFAOYSA-N,C9H18O5Si,234.32,234.0923502,,54,194,0,0,5,9,15,,,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
BROMOCHLOROACETIC ACID,005589-96-8,542762,2-bromo-2-chloroacetic acid,C(C(=O)O)(Cl)Br,"InChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)",GEHJBWKLJVFKPS-UHFFFAOYSA-N,C2H2BrClO2,173.39,171.89267,1.3,37.3,64,0,1,2,1,6,230 °F (110 °C): closed cup,215 °C at 760 mm Hg; 104 °C at 11 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRIOCTYLPHOSPHINE,004731-53-7,20851,trioctylphosphane,CCCCCCCCP(CCCCCCCC)CCCCCCCC,"InChI=1S/C24H51P/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3",RMZAYIKUYWXQPB-UHFFFAOYSA-N,C24H51P,370.6,370.3728386,10.2,0,188,0,0,0,21,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NONAMETHYLTRISILAZANE,001586-73-8,74110,[[bis(trimethylsilyl)amino]-dimethylsilyl]methane,C[Si](C)(C)N([Si](C)(C)C)[Si](C)(C)C,"InChI=1S/C9H27NSi3/c1-11(2,3)10(12(4,5)6)13(7,8)9/h1-9H3",PEGHITPVRNZWSI-UHFFFAOYSA-N,C9H27NSi3,233.57,233.1451295,,3.2,137,0,0,1,3,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
GALLIUM BROMIDE,013450-88-9,83477,tribromogallane,[Ga](Br)(Br)Br,InChI=1S/3BrH.Ga/h3*1H;/q;;;+3/p-3,SRVXDMYFQIODQI-UHFFFAOYSA-K,Br3Ga,309.44,307.67854,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TERT-BUTYL N-(2-AMINOETHYL)CARBAMATE,057260-73-8,187201,tert-butyl N-(2-aminoethyl)carbamate,CC(C)(C)OC(=O)NCCN,"InChI=1S/C7H16N2O2/c1-7(2,3)11-6(10)9-5-4-8/h4-5,8H2,1-3H3,(H,9,10)",AOCSUUGBCMTKJH-UHFFFAOYSA-N,C7H16N2O2,160.21,160.1211778,0,64.4,129,0,2,3,4,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DIETHYL CHLOROMALONATE,014064-10-9,84182,diethyl 2-chloropropanedioate,CCOC(=O)C(C(=O)OCC)Cl,"InChI=1S/C7H11ClO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3",WLWCQKMQYZFTDR-UHFFFAOYSA-N,C7H11ClO4,194.61,194.0345865,1.6,52.6,151,0,0,4,6,12,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMO-2-METHYLPROPIONIC ACID,002052-01-9,74924,2-bromo-2-methylpropanoic acid,CC(C)(C(=O)O)Br,"InChI=1S/C4H7BrO2/c1-4(2,5)3(6)7/h1-2H3,(H,6,7)",XXSPGBOGLXKMDU-UHFFFAOYSA-N,C4H7BrO2,167,165.96294,1.2,37.3,87,0,1,2,1,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"DIETHYL MESO-2,5-DIBROMOADIPATE",000869-10-3,241588,"diethyl 2,5-dibromohexanedioate",CCOC(=O)C(CCC(C(=O)OCC)Br)Br,"InChI=1S/C10H16Br2O4/c1-3-15-9(13)7(11)5-6-8(12)10(14)16-4-2/h7-8H,3-6H2,1-2H3",UBCNJHBDCUBIPB-UHFFFAOYSA-N,C10H16Br2O4,360.04,359.93948,3.1,52.6,209,0,0,4,9,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
LANTHANUM TRIHYDROXIDE,014507-19-8,135111,lanthanum(3+) trihydroxide,[OH-].[OH-].[OH-].[La+3],InChI=1S/La.3H2O/h;3*1H2/q+3;;;/p-3,YXEUGTSPQFTXTR-UHFFFAOYSA-K,H3LaO3,189.928,189.914582,,3,0,0,3,3,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
BIS(TRIETHOXYSILYLPROPYL)AMINE,013497-18-2,83535,3-triethoxysilyl-N-(3-triethoxysilylpropyl)propan-1-amine,CCO[Si](CCCNCCC[Si](OCC)(OCC)OCC)(OCC)OCC,"InChI=1S/C18H43NO6Si2/c1-7-20-26(21-8-2,22-9-3)17-13-15-19-16-14-18-27(23-10-4,24-11-5)25-12-6/h19H,7-18H2,1-6H3",RWLDCNACDPTRMY-UHFFFAOYSA-N,C18H43NO6Si2,425.7,425.2628912,,67.4,275,0,1,7,20,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DIGLYCOLYL CHLORIDE,021062-20-4,88769,2-(2-chloro-2-oxoethoxy)acetyl chloride,C(C(=O)Cl)OCC(=O)Cl,InChI=1S/C4H4Cl2O3/c5-3(7)1-9-2-4(6)8/h1-2H2,GTZXSBQCNBNWPK-UHFFFAOYSA-N,C4H4Cl2O3,170.98,169.9537494,1.2,43.4,109,0,0,3,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
BOC-BETA-ALANINE,003303-84-2,76809,3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid,CC(C)(C)OC(=O)NCCC(=O)O,"InChI=1S/C8H15NO4/c1-8(2,3)13-7(12)9-5-4-6(10)11/h4-5H2,1-3H3,(H,9,12)(H,10,11)",WCFJUSRQHZPVKY-UHFFFAOYSA-N,C8H15NO4,189.21,189.100108,0.4,75.6,195,0,2,4,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-AMINO-10-UNDECENE,062595-52-2,11768976,undec-10-en-1-amine,C=CCCCCCCCCCN,"InChI=1S/C11H23N/c1-2-3-4-5-6-7-8-9-10-11-12/h2H,1,3-12H2",PYGHKJQHDXSHES-UHFFFAOYSA-N,C11H23N,169.31,169.1830497,3.8,26,89,0,1,1,9,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
2-METHYLPENTANOIC ACID,000097-61-0,7341,2-methylpentanoic acid,CCCC(C)C(=O)O,"InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)",OVBFMEVBMNZIBR-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,1.8,37.3,78,0,1,2,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-BROMOBUTANOYL CHLORIDE,000927-58-2,70225,4-bromobutanoyl chloride,C(CC(=O)Cl)CBr,InChI=1S/C4H6BrClO/c5-3-1-2-4(6)7/h1-3H2,LRTRXDSAJLSRTG-UHFFFAOYSA-N,C4H6BrClO,185.45,183.92906,1.8,17.1,64,0,0,1,3,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
RUTHENIUM BROMIDE (RUBR3),014014-88-1,176290,tribromoruthenium,Br[Ru](Br)Br,InChI=1S/3BrH.Ru/h3*1H;/q;;;+3/p-3,WYRXRHOISWEUST-UHFFFAOYSA-K,Br3Ru,340.8,340.6573,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"NEODECANOIC ACID, TIN(2+) SALT",049556-16-3,170790,"bis(7,7-dimethyloctanoate);tin(2+)",CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Sn+2],"InChI=1S/2C10H20O2.Sn/c2*1-10(2,3)8-6-4-5-7-9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2",SROUPOMLWHGKPN-UHFFFAOYSA-L,C20H38O4Sn,461.2,462.179212,,80.3,128,0,0,4,10,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"1,1,4,7,10,10-HEXAMETHYLTRIETHYLENETETRAMINE",003083-10-1,76509,"N'-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-N,N,N'-trimethylethane-1,2-diamine",CN(C)CCN(C)CCN(C)CCN(C)C,"InChI=1S/C12H30N4/c1-13(2)7-9-15(5)11-12-16(6)10-8-14(3)4/h7-12H2,1-6H3",DWFKOMDBEKIATP-UHFFFAOYSA-N,C12H30N4,230.39,230.247047,0.4,13,141,0,0,4,9,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(+)-2-AMINOPROPAN-1-OL,002749-11-3,80307,(2S)-2-aminopropan-1-ol,C[C@@H](CO)N,"InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m0/s1",BKMMTJMQCTUHRP-VKHMYHEASA-N,C3H9NO,75.11,75.06841391,-1,46.3,22,0,2,2,1,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TRIETHYLMETHYLAMMONIUM HYDROXIDE,109334-81-8,14647552,triethyl(methyl)azanium hydroxide,CC[N+](C)(CC)CC.[OH-],"InChI=1S/C7H18N.H2O/c1-5-8(4,6-2)7-3;/h5-7H2,1-4H3;1H2/q+1;/p-1",JAJRRCSBKZOLPA-UHFFFAOYSA-M,C7H19NO,133.23,133.1466642,,1,47,0,1,1,3,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DIETHYL FLUOROMALONATE,000685-88-1,12702,diethyl 2-fluoropropanedioate,CCOC(=O)C(C(=O)OCC)F,"InChI=1S/C7H11FO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3",GOWQBFVDZPZZFA-UHFFFAOYSA-N,C7H11FO4,178.16,178.064137,0.9,52.6,151,0,0,5,6,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,2,2-TRIFLUORO-N-(TRIFLUOROACETYL)ACETAMIDE",000407-24-9,67885,"2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide",C(=O)(C(F)(F)F)NC(=O)C(F)(F)F,"InChI=1S/C4HF6NO2/c5-3(6,7)1(12)11-2(13)4(8,9)10/h(H,11,12,13)",GMQVFHZSXKJCIV-UHFFFAOYSA-N,C4HF6NO2,209.05,208.9911473,1.6,46.2,204,0,1,8,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM VINYLTRIFLUOROBORATE,013682-77-4,23679353,potassium ethenyl(trifluoro)boranuide,[B-](C=C)(F)(F)F.[K+],"InChI=1S/C2H3BF3.K/c1-2-3(4,5)6;/h2H,1H2;/q-1;+1",ZCUMGICZWDOJEM-UHFFFAOYSA-N,C2H3BF3K,133.95,133.9916962,,0,58,0,0,4,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TETRABUTYLAMMONIUM HYDROXIDE 30-HYDRATE,147741-30-8,16218633,tetrabutylazanium;hydroxide;triacontahydrate,CCCC[N+](CCCC)(CCCC)CCCC.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[OH-],"InChI=1S/C16H36N.31H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5-16H2,1-4H3;31*1H2/q+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-1",DFGIRVKFXSRUOX-UHFFFAOYSA-M,C16H97NO31,799.9,799.6044553,,31,116,0,31,31,12,48,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
SULFUR TRIOXIDE - TRIETHYLAMINE COMPLEX,000761-01-3,222301,"N,N-diethylethanamine;sulfur trioxide",CCN(CC)CC.O=S(=O)=O,"InChI=1S/C6H15N.O3S/c1-4-7(5-2)6-3;1-4(2)3/h4-6H2,1-3H3;",YYHPEVZFVMVUNJ-UHFFFAOYSA-N,C6H15NO3S,181.26,181.0772645,,55.5,87,0,0,4,3,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1H,1H,2H,2H-PERFLUORODECYLAMINE",030670-30-5,2783341,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-amine",C(CN)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C10H6F17N/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2,28H2",PFINVJYJNJHTFY-UHFFFAOYSA-N,C10H6F17N,463.13,463.022878,5.5,26,559,0,1,18,8,28,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
2-OCTYLDODECAN-1-AMINE,062281-06-5,18761999,2-octyldodecan-1-amine,CCCCCCCCCCC(CCCCCCCC)CN,"InChI=1S/C20H43N/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h20H,3-19,21H2,1-2H3",VDNQHHBRKZQBPY-UHFFFAOYSA-N,C20H43N,297.6,297.3395504,8.9,26,179,0,1,1,17,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-(2-(2-METHOXYETHOXY)ETHOXY)ETHYLAMINE,074654-07-2,3018531,2-[2-(2-methoxyethoxy)ethoxy]ethanamine,COCCOCCOCCN,"InChI=1S/C7H17NO3/c1-9-4-5-11-7-6-10-3-2-8/h2-8H2,1H3",OKUWOEKJQRUMBW-UHFFFAOYSA-N,C7H17NO3,163.21,163.1208434,-1.3,53.7,70,0,1,4,8,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
7-OCTEN-1-OL,013175-44-5,83203,oct-7-en-1-ol,C=CCCCCCCO,"InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h2,9H,1,3-8H2",WXPWPYISTQCNDP-UHFFFAOYSA-N,C8H16O,128.21,128.1201151,2.4,20.2,59,0,1,1,6,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
MANGANESE(II) BIS(TRIFLUOROMETHANESULFONYL)IMIDE,207861-55-0,131675784,bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+),C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Mn+2],"InChI=1S/2C2F6NO4S2.Mn/c2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q2*-1;+2",NNWDGVNRIAAYMY-UHFFFAOYSA-N,C4F12MnN2O8S4,615.2,614.772631,,172,374,0,0,22,4,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SODIUM HEXAFLUOROTITANATE(IV),017116-13-1,3084268,disodium;tetrafluorotitanium;difluoride,[F-].[F-].F[Ti](F)(F)F.[Na+].[Na+],InChI=1S/6FH.2Na.Ti/h6*1H;;;/q;;;;;;2*+1;+4/p-6,HLJCWGPUCQTHFY-UHFFFAOYSA-H,F6Na2Ti,207.837,207.9178982,,0,19,0,0,6,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TERT-BUTYL METHYL(2-(METHYLAMINO)ETHYL)CARBAMATE,112257-19-9,14403871,tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate,CC(C)(C)OC(=O)N(C)CCNC,"InChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11(5)7-6-10-4/h10H,6-7H2,1-5H3",DFVRUHANEXOZGT-UHFFFAOYSA-N,C9H20N2O2,188.27,188.1524779,0.7,41.6,163,0,1,3,5,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TETRAKIS(ACETONITRILE)COPPER(I) TETRAFLUOROBORATE,015418-29-8,10990673,tetrakis(acetonitrile);copper(1+);tetrafluoroborate,[B-](F)(F)(F)F.CC#N.CC#N.CC#N.CC#N.[Cu+],"InChI=1S/4C2H3N.BF4.Cu/c4*1-2-3;2-1(3,4)5;/h4*1H3;;/q;;;;-1;+1",YZGSKMIIVMCEFE-UHFFFAOYSA-N,C8H12BCuF4N4,314.56,314.038711,,95.2,48,0,0,9,0,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
2-[2-(3-AMINOPROPOXY)ETHOXY]ETHANOL,000112-33-4,66985,2-[2-(3-aminopropoxy)ethoxy]ethanol,C(CN)COCCOCCO,"InChI=1S/C7H17NO3/c8-2-1-4-10-6-7-11-5-3-9/h9H,1-8H2",DCZMLYRQHBZWLZ-UHFFFAOYSA-N,C7H17NO3,163.21,163.1208434,-1.3,64.7,70,0,2,4,8,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETYL FLUORIDE, DIFLUORO(FLUOROSULFONYL)-",000677-67-8,69614,"2,2-difluoro-2-fluorosulfonylacetyl fluoride",C(=O)(C(F)(F)S(=O)(=O)F)F,"InChI=1S/C2F4O3S/c3-1(7)2(4,5)10(6,8)9",YIHXQSQQJBEAKK-UHFFFAOYSA-N,C2F4O3S,180.08,179.9504277,0.9,59.6,236,0,0,7,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"OCTANOIC ACID, POTASSIUM SALT",000764-71-6,23668522,potassium octanoate,CCCCCCCC(=O)[O-].[K+],"InChI=1S/C8H16O2.K/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+1/p-1",RLEFZEWKMQQZOA-UHFFFAOYSA-M,C8H15KO2,182.3,182.0709112,,40.1,94,0,0,2,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CARBONOCHLORIDIC ACID, 1,4-BUTANEDIYL ESTER",002157-16-6,75085,4-carbonochloridoyloxybutyl carbonochloridate,C(CCOC(=O)Cl)COC(=O)Cl,InChI=1S/C6H8Cl2O4/c7-5(9)11-3-1-2-4-12-6(8)10/h1-4H2,AUKORMQZRYQYGI-UHFFFAOYSA-N,C6H8Cl2O4,215.03,213.9799641,2.8,52.6,142,0,0,4,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, DIPENTYL ESTER",003138-42-9,76589,dipentyl hydrogen phosphate,CCCCCOP(=O)(O)OCCCCC,"InChI=1S/C10H23O4P/c1-3-5-7-9-13-15(11,12)14-10-8-6-4-2/h3-10H2,1-2H3,(H,11,12)",WJZUIWBZDGBLKK-UHFFFAOYSA-N,C10H23O4P,238.26,238.1333962,2.6,55.8,168,0,1,4,10,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,5-DICHLORO-1,1,3,3,5,5-HEXAMETHYLTRISILOXANE",003582-71-6,77131,bis[[chloro(dimethyl)silyl]oxy]-dimethylsilane,C[Si](C)(O[Si](C)(C)Cl)O[Si](C)(C)Cl,"InChI=1S/C6H18Cl2O2Si3/c1-11(2,7)9-13(5,6)10-12(3,4)8/h1-6H3",GJIYNWRLGOMDEX-UHFFFAOYSA-N,C6H18Cl2O2Si3,277.36,275.9991648,,18.5,167,0,0,2,4,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"SILANE, CHLOROTRIHEXYL-",003634-67-1,77188,chloro(trihexyl)silane,CCCCCC[Si](CCCCCC)(CCCCCC)Cl,"InChI=1S/C18H39ClSi/c1-4-7-10-13-16-20(19,17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3",WZQSBCHNVPAYOC-UHFFFAOYSA-N,C18H39ClSi,319,318.2509555,,0,163,0,0,0,15,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANOYL FLUORIDE, 2,3,3,3-TETRAFLUORO-2-[1,1,2,3,3,3-HEXAFLUORO-2-[1,1,2,2-T",004089-58-1,107223,"2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propoxy]propanoyl fluoride",C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)F)(F)F)F)(F)F)F)F,"InChI=1S/C8F16O5S/c9-1(25)2(10,4(12,13)14)28-6(18,19)3(11,5(15,16)17)29-7(20,21)8(22,23)30(24,26)27",KKFBQYPRBYZJNU-UHFFFAOYSA-N,C8F16O5S,512.12,511.9210949,5.1,78.1,764,0,0,21,8,30,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHINE, TRIDODECYL-",006411-24-1,80863,tridodecylphosphane,CCCCCCCCCCCCP(CCCCCCCCCCCC)CCCCCCCCCCCC,"InChI=1S/C36H75P/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3",GRAKJTASWCEOQI-UHFFFAOYSA-N,C36H75P,539,538.5606394,16.7,0,322,0,0,0,33,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANOIC ACID, 2,3-DICHLORO-, ETHYL ESTER",006628-21-3,97946,"ethyl 2,3-dichloropropanoate",CCOC(=O)C(CCl)Cl,"InChI=1S/C5H8Cl2O2/c1-2-9-5(8)4(7)3-6/h4H,2-3H2,1H3",RNZPQAZETZXKCQ-UHFFFAOYSA-N,C5H8Cl2O2,171.02,169.9901349,1.7,26.3,95,0,0,2,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-PROPANETHIOL, SODIUM SALT",006898-84-6,4681725,sodium propane-1-thiolate,CCC[S-].[Na+],"InChI=1S/C3H8S.Na/c1-2-3-4;/h4H,2-3H2,1H3;/q;+1/p-1",XVSFHIIADLZQJP-UHFFFAOYSA-M,C3H7NaS,98.14,98.01661568,,1,10,0,0,1,1,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DISULFURIC ACID,007783-05-3,62682,sulfo hydrogen sulfate,OS(=O)(=O)OS(=O)(=O)O,"InChI=1S/H2O7S2/c1-8(2,3)7-9(4,5)6/h(H,1,2,3)(H,4,5,6)",VFNGKCDDZUSWLR-UHFFFAOYSA-N,H2O7S2,178.15,177.9241948,-1.8,135,221,0,2,7,2,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
1-OCTANESULFONYL CHLORIDE,007795-95-1,82261,octane-1-sulfonyl chloride,CCCCCCCCS(=O)(=O)Cl,"InChI=1S/C8H17ClO2S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3",WIVNTNLDTMNDNO-UHFFFAOYSA-N,C8H17ClO2S,212.74,212.0637786,3.8,42.5,182,0,0,2,7,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
GOLD BROMIDE (AUBR3),010294-28-7,82525,tribromogold,Br[Au](Br)Br,InChI=1S/Au.3BrH/h;3*1H/q+3;;;/p-3,OVWPJGBVJCTEBJ-UHFFFAOYSA-K,AuBr3,436.68,435.71953,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"SILANE, CHLORO(3-CHLOROPROPYL)DIMETHYL-",010605-40-0,82765,chloro-(3-chloropropyl)-dimethylsilane,C[Si](C)(CCCCl)Cl,"InChI=1S/C5H12Cl2Si/c1-8(2,7)5-3-4-6/h3-5H2,1-2H3",BJLJNLUARMMMLW-UHFFFAOYSA-N,C5H12Cl2Si,171.14,170.0085323,,0,63,0,0,0,3,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"STANNATE (SN(OH)62-), DISODIUM, (OC-6-11)-",012027-70-2,165991,disodium;tin(4+);hexahydroxide,[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Na+].[Na+].[Sn+4],InChI=1S/2Na.6H2O.Sn/h;;6*1H2;/q2*+1;;;;;;;+4/p-6,PMPBLIIMRRPPEO-UHFFFAOYSA-H,H6Na2O6Sn,266.73,267.898179,,6,0,0,6,6,0,9,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"ZINCATE (ZN(OH)42-), DISODIUM, (T-4)-",012179-14-5,166652,disodium;zinc;tetrahydroxide,[OH-].[OH-].[OH-].[OH-].[Na+].[Na+].[Zn+2],InChI=1S/2Na.4H2O.Zn/h;;4*1H2;/q2*+1;;;;;+2/p-4,HVTHJRMZXBWFNE-UHFFFAOYSA-J,H4Na2O4Zn,179.4,177.919639,,4,0,0,4,4,0,7,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"STANNANE, DIBUTYLBIS[(1-OXO-9-OCTADECENYL)OXY]-, (Z,Z)-",013323-62-1,16683995,[dibutyl-[(E)-octadec-9-enoyl]oxystannyl] (Z)-octadec-9-enoate,CCCCCCCC/C=C/CCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC,"InChI=1S/2C18H34O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3-4-2;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);2*1,3-4H2,2H3;/q;;;;+2/p-2/b10-9+;10-9-;;;",AWFFJJAOMMAGFE-JNAMAPRJSA-L,C44H84O4Sn,795.8,796.539164,,52.6,713,0,0,4,40,49,,,1,0,0,0,0,0,1,1,0,0,1,0,0,1,0,0,1,1,1,1
SODIUM DEUTEROXIDE,014014-06-3,23676750,,[2H][O-].[Na+],InChI=1S/Na.H2O/h;1H2/q+1;/p-1/i/hD,HEMHJVSKTPXQMS-DYCDLGHISA-M,HNaO,41.003,40.99878568,,1,2,0,1,1,0,2,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
UNDECANOYL CHLORIDE,017746-05-3,87287,undecanoyl chloride,CCCCCCCCCCC(=O)Cl,"InChI=1S/C11H21ClO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3",JUKPJGZUFHCZQI-UHFFFAOYSA-N,C11H21ClO,204.73,204.128093,4.6,17.1,123,0,0,1,9,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"OCTANOIC ACID, COMPD. WITH 2-AMINOETHANOL (1:1)",028098-03-5,160158,2-aminoethanol;octanoic acid,CCCCCCCC(=O)O.C(CO)N,"InChI=1S/C8H16O2.C2H7NO/c1-2-3-4-5-6-7-8(9)10;3-1-2-4/h2-7H2,1H3,(H,9,10);4H,1-3H2",ZGIPIEWHOQEVJN-UHFFFAOYSA-N,C10H23NO3,205.29,205.1677936,,83.6,99,0,3,4,7,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, OCTADECYL ESTER",039471-52-8,170212,octadecan-1-ol;phosphoric acid,CCCCCCCCCCCCCCCCCCO.OP(=O)(O)O,"InChI=1S/C18H38O.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-5(2,3)4/h19H,2-18H2,1H3;(H3,1,2,3,4)",HMLIQCQTRZELBY-UHFFFAOYSA-N,C18H41O5P,368.5,368.2691614,,98,194,0,4,5,16,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, ISODECYL ESTER",056572-86-2,92456,8-methylnonan-1-ol;phosphoric acid,CC(C)CCCCCCCO.OP(=O)(O)O,"InChI=1S/C10H22O.H3O4P/c1-10(2)8-6-4-3-5-7-9-11;1-5(2,3)4/h10-11H,3-9H2,1-2H3;(H3,1,2,3,4)",MSGDIFCKFFCXML-UHFFFAOYSA-N,C10H25O5P,256.28,256.1439609,,98,119,0,4,5,7,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-DECANESULFONYL CHLORIDE,061652-81-1,109107,decane-1-sulfonyl chloride,CCCCCCCCCCS(=O)(=O)Cl,"InChI=1S/C10H21ClO2S/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3",WCKKWABZCCKDTN-UHFFFAOYSA-N,C10H21ClO2S,240.79,240.0950788,4.9,42.5,207,0,0,2,9,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BIS(1,1-DIMETHYLETHOXY)ETHENYLSILANOL ACETATE",064426-39-7,116618,[ethenyl-bis[(2-methylpropan-2-yl)oxy]silyl] acetate,CC(=O)O[Si](C=C)(OC(C)(C)C)OC(C)(C)C,"InChI=1S/C12H24O4Si/c1-9-17(14-10(2)13,15-11(3,4)5)16-12(6,7)8/h9H,1H2,2-8H3",ZKWBDADTTKTUJM-UHFFFAOYSA-N,C12H24O4Si,260.4,260.1443858,,44.8,270,0,0,4,7,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANETHIOIC ACID, S-(3-CHLORO-2-METHYL-3-OXOPROPYL) ESTER",064805-64-7,103458,S-(3-chloro-2-methyl-3-oxopropyl) ethanethioate,CC(CSC(=O)C)C(=O)Cl,"InChI=1S/C6H9ClO2S/c1-4(6(7)9)3-10-5(2)8/h4H,3H2,1-2H3",LUDPWTHDXSOXDX-UHFFFAOYSA-N,C6H9ClO2S,180.65,180.0011784,1.7,59.4,147,0,0,3,4,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-TRIDECYL-.OMEGA.-HYDROXY-, ISOOCTYL PHOSPHAT",068186-41-4,23674316,potassium;dihydrogen phosphate;6-methylheptan-1-ol;2-tridecoxyethanol,CCCCCCCCCCCCCOCCO.CC(C)CCCCCO.OP(=O)(O)[O-].[K+],"InChI=1S/C15H32O2.C8H18O.K.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16;1-8(2)6-4-3-5-7-9;;1-5(2,3)4/h16H,2-15H2,1H3;8-9H,3-7H2,1-2H3;;(H3,1,2,3,4)/q;;+1;/p-1",SMWZDAQANLWHQJ-UHFFFAOYSA-M,C23H52KO7P,510.7,510.3087725,,130,239,0,4,7,19,32,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANOL, 2-(2-ETHOXYETHOXY)-, PHOSPHATE",068550-94-7,20026930,2-(2-ethoxyethoxy)ethyl phosphate,CCOCCOCCOP(=O)([O-])[O-],"InChI=1S/C6H15O6P/c1-2-10-3-4-11-5-6-12-13(7,8)9/h2-6H2,1H3,(H2,7,8,9)/p-2",PMUXALPBFHRUMP-UHFFFAOYSA-L,C6H13O6P-2,212.14,212.0449751,-1.6,90.9,144,-2,0,6,7,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
NDSB-195,160255-06-1,5221296,3-[ethyl(dimethyl)azaniumyl]propane-1-sulfonate,CC[N+](C)(C)CCCS(=O)(=O)[O-],"InChI=1S/C7H17NO3S/c1-4-8(2,3)6-5-7-12(9,10)11/h4-7H2,1-3H3",NNCRHRDBFDCWPA-UHFFFAOYSA-N,C7H17NO3S,195.28,195.0929146,-0.2,65.6,202,0,0,3,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
GLYOXYLIC ACID MONOHYDRATE,000563-96-2,15620607,oxaldehydic acid;hydrate,C(=O)C(=O)O.O,"InChI=1S/C2H2O3.H2O/c3-1-2(4)5;/h1H,(H,4,5);1H2",MOOYVEVEDVVKGD-UHFFFAOYSA-N,C2H4O4,92.05,92.0109586,,55.4,55,0,2,4,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"NONANAMIDE, N-[2-[[2-[[2-[(2-AMINOETHYL)AMINO]ETHYL]AMINO]ETHYL]AMINO]ETHYL]-",026392-63-2,105542,N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]nonanamide,CCCCCCCCC(=O)NCCNCCNCCNCCN,"InChI=1S/C17H39N5O/c1-2-3-4-5-6-7-8-17(23)22-16-15-21-14-13-20-12-11-19-10-9-18/h19-21H,2-16,18H2,1H3,(H,22,23)",VKWZDXGYNMWHQU-UHFFFAOYSA-N,C17H39N5O,329.5,329.3154609,0.8,91.2,251,0,5,5,18,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HYDROCHLORIC ACID SOLUTIONS (>/= 0.1%),007647-01-0,313,chlorane,Cl,InChI=1S/ClH/h1H,VEXZGXHMUGYJMC-UHFFFAOYSA-N,ClH,36.46,35.9766777,0.8,0,0,0,1,0,0,1,,"123 °F at 760 mmHg (USCG, 1999)",0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
OCTANOIC ACID,000124-07-2,379,octanoic acid,CCCCCCCC(=O)O,"InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)",WWZKQHOCKIZLMA-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,3,37.3,89,0,1,2,6,10,"230 °F (NTP, 1992)","463.5 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
DIBUTYL PHOSPHATE,000107-66-4,7881,dibutyl hydrogen phosphate,CCCCOP(=O)(O)OCCCC,"InChI=1S/C8H19O4P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H,9,10)",JYFHYPJRHGVZDY-UHFFFAOYSA-N,C8H19O4P,210.21,210.1020961,1.5,55.8,146,0,1,4,8,13,"370 °F (ICSC, 2024)","212 °F at 760 mmHg (Decomposes) (NIOSH, 2024)",0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ALUMINUM CHLORIDE, HEXAHYDRATE",007784-13-6,24564,trichloroalumane;hexahydrate,O.O.O.O.O.O.[Al](Cl)(Cl)Cl,InChI=1S/Al.3ClH.6H2O/h;3*1H;6*1H2/q+3;;;;;;;;;/p-3,JGDITNMASUZKPW-UHFFFAOYSA-K,AlCl3H12O6,241.43,239.951485,,6,8,0,6,6,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
LACTIC ACID,000050-21-5,612,2-hydroxypropanoic acid,CC(C(=O)O)O,"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)",JVTAAEKCZFNVCJ-UHFFFAOYSA-N,C3H6O3,90.08,90.03169405,-0.7,57.5,59,0,2,3,1,6,113 °C (235 °F) - closed cup,122 °C at 15 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
L(+)-LACTIC ACID,000079-33-4,107689,(2S)-2-hydroxypropanoic acid,C[C@@H](C(=O)O)O,"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1",JVTAAEKCZFNVCJ-REOHCLBHSA-N,C3H6O3,90.08,90.03169405,-0.7,57.5,59,0,2,3,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, MONO(2-ETHYLHEXYL) ESTER, DISODIUM SALT",015505-13-2,85860,disodium;2-ethylhexyl phosphate,CCCCC(CC)COP(=O)([O-])[O-].[Na+].[Na+],"InChI=1S/C8H19O4P.2Na/c1-3-5-6-8(4-2)7-12-13(9,10)11;;/h8H,3-7H2,1-2H3,(H2,9,10,11);;/q;2*+1/p-2",NIFGJMWDJOVFPC-UHFFFAOYSA-L,C8H17Na2O4P,254.17,254.0659846,,72.4,154,0,0,4,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
HEPTAFLUOROBUTYRIC ACID,000375-22-4,9777,"2,2,3,3,4,4,4-heptafluorobutanoic acid",C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O,"InChI=1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13)",YPJUNDFVDDCYIH-UHFFFAOYSA-N,C4HF7O2,214.04,213.9864764,2.2,37.3,217,0,1,9,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
UNDECAFLUOROHEXANOIC ACID,000307-24-4,67542,"2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid",C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19)",PXUULQAPEKKVAH-UHFFFAOYSA-N,C6HF11O2,314.05,313.9800891,3.6,37.3,368,0,1,13,4,19,,157 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
HEXACHLOROPROPENE,001888-71-7,15902,"1,1,2,3,3,3-hexachloroprop-1-ene",C(=C(Cl)Cl)(C(Cl)(Cl)Cl)Cl,"InChI=1S/C3Cl6/c4-1(2(5)6)3(7,8)9",VFDYKPARTDCDCU-UHFFFAOYSA-N,C3Cl6,248.7,247.810166,4.2,0,126,0,0,0,0,9,,209.5 °C,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(N,N-DIETHYL-3-AMINOPROPYL)TRIMETHOXYSILANE",041051-80-3,170458,"N,N-diethyl-3-trimethoxysilylpropan-1-amine",CCN(CC)CCC[Si](OC)(OC)OC,"InChI=1S/C10H25NO3Si/c1-6-11(7-2)9-8-10-15(12-3,13-4)14-5/h6-10H2,1-5H3",ZLDHYRXZZNDOKU-UHFFFAOYSA-N,C10H25NO3Si,235.4,235.1603702,,30.9,141,0,0,4,9,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
D-MALIC ACID,000636-61-3,92824,(2R)-2-hydroxybutanedioic acid,C([C@H](C(=O)O)O)C(=O)O,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1",BJEPYKJPYRNKOW-UWTATZPHSA-N,C4H6O5,134.09,134.0215233,-1.3,94.8,129,0,3,5,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMINOGUANIDINE HYDROCHLORIDE,001937-19-5,2734687,2-aminoguanidine;hydrochloride,C(=NN)(N)N.Cl,"InChI=1S/CH6N4.ClH/c2-1(3)5-4;/h4H2,(H4,2,3,5);1H",UBDZFAGVPPMTIT-UHFFFAOYSA-N,CH7ClN4,110.55,110.0359239,,90.4,41,0,4,2,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,1,0,1
CESIUM TRIIODIDE,012297-72-2,23717889,cesium triiodide,I[I-]I.[Cs+],InChI=1S/Cs.I3/c;1-3-2/q+1;-1,PSDVEXXHXQVSQT-UHFFFAOYSA-N,CsI3,513.6189,513.6189,,0,3,0,0,1,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
PHOSPHORIC ACID OLEYL ESTER,037310-83-1,6435865,(Z)-octadec-9-en-1-ol;phosphoric acid,CCCCCCCC/C=C\CCCCCCCCO.OP(=O)(O)O,"InChI=1S/C18H36O.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-5(2,3)4/h9-10,19H,2-8,11-18H2,1H3;(H3,1,2,3,4)/b10-9-;",JGVOASSDYQIBIF-KVVVOXFISA-N,C18H39O5P,366.5,366.2535113,,98,224,0,4,5,15,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CALCIUM ALUMINUM OXIDE,012042-68-1,159415,calcium oxido(oxo)alumane,[O-][Al]=O.[O-][Al]=O.[Ca+2],InChI=1S/2Al.Ca.4O/q;;+2;;;2*-1,XFWJKVMFIVXPKK-UHFFFAOYSA-N,Al2CaO4,158.04,157.905326,,80.3,7,0,0,4,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-ETHOXYETHYL METHACRYLATE,002370-63-0,71404,2-ethoxyethyl 2-methylprop-2-enoate,CCOCCOC(=O)C(=C)C,"InChI=1S/C8H14O3/c1-4-10-5-6-11-8(9)7(2)3/h2,4-6H2,1,3H3",SFPNZPQIIAJXGL-UHFFFAOYSA-N,C8H14O3,158.19,158.0942943,1.4,35.5,140,0,0,3,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"L-2,4-DIAMINOBUTYRIC ACID DIHYDROCHLORIDE",001883-09-6,2724265,"(2S)-2,4-diaminobutanoic acid;dihydrochloride",C(CN)[C@@H](C(=O)O)N.Cl.Cl,"InChI=1S/C4H10N2O2.2ClH/c5-2-1-3(6)4(7)8;;/h3H,1-2,5-6H2,(H,7,8);2*1H/t3-;;/m0../s1",CKAAWCHIBBNLOJ-QTNFYWBSSA-N,C4H12Cl2N2O2,191.05,190.027583,,89.3,84,0,5,4,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DI-TERT-BUTYL HYDROGEN PHOSPHATE, POTASSIUM SALT",033494-80-3,24197410,,CC(C)(C)OP(=O)(O)OC(C)(C)C.[K],"InChI=1S/C8H19O4P.K/c1-7(2,3)11-13(9,10)12-8(4,5)6;/h1-6H3,(H,9,10);",SZCKQRFZBSIRLK-UHFFFAOYSA-N,C8H19KO4P,249.31,249.0658026,,55.8,191,0,1,4,4,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,6,9-TRIOXAUNDECAMETHYLENEDIAMINE",000929-75-9,70250,2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanamine,C(COCCOCCOCCN)N,InChI=1S/C8H20N2O3/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-10H2,NIQFAJBKEHPUAM-UHFFFAOYSA-N,C8H20N2O3,192.26,192.1473925,-2.1,79.7,83,0,2,5,10,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TERT-BUTYL (2-(2-(2-(2-AMINOETHOXY)ETHOXY)
ETHOXY)ETHYL)CARBAMATE",101187-40-0,10493865,tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate,CC(C)(C)OC(=O)NCCOCCOCCOCCN,"InChI=1S/C13H28N2O5/c1-13(2,3)20-12(16)15-5-7-18-9-11-19-10-8-17-6-4-14/h4-11,14H2,1-3H3,(H,15,16)",CUPBLDPRUBNAIE-UHFFFAOYSA-N,C13H28N2O5,292.37,292.199822,-0.5,92,243,0,2,6,13,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9-OCTADECENAMIDE, N-(2-HYDROXYETHYL)-, (Z)-",000111-58-0,5283454,(Z)-N-(2-hydroxyethyl)octadec-9-enamide,CCCCCCCC/C=C\CCCCCCCC(=O)NCCO,"InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-",BOWVQLFMWHZBEF-KTKRTIGZSA-N,C20H39NO2,325.5,325.2980795,6.3,49.3,277,0,2,2,17,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BUTENOIC ACID, ANHYDRIDE",000623-68-7,12189,but-2-enoyl but-2-enoate,CC=CC(=O)OC(=O)C=CC,"InChI=1S/C8H10O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H,1-2H3",VJDDQSBNUHLBTD-UHFFFAOYSA-N,C8H10O3,154.16,154.0629942,1.5,43.4,179,0,0,3,4,11,,246-248 °C @ 766 MM HG,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-[2-[2-[(2-ETHYLHEXYL)OXY]ETHOXY]ETHOXY]-",001559-37-1,102646,2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethanol,CCCCC(CC)COCCOCCOCCO,"InChI=1S/C14H30O4/c1-3-5-6-14(4-2)13-18-12-11-17-10-9-16-8-7-15/h14-15H,3-13H2,1-2H3",GSKKPNMVOYDARW-UHFFFAOYSA-N,C14H30O4,262.39,262.2144094,2.2,47.9,153,0,1,4,14,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"STANNANE, TRICHLOROOCTYL-",003091-25-6,76538,trichloro(octyl)stannane,CCCCCCCC[Sn](Cl)(Cl)Cl,"InChI=1S/C8H17.3ClH.Sn/c1-3-5-7-8-6-4-2;;;;/h1,3-8H2,2H3;3*1H;/q;;;;+3/p-3",INTLMJZQCBRQAT-UHFFFAOYSA-K,C8H17Cl3Sn,338.3,337.941786,,0,101,0,0,0,6,12,,,1,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,0
"GLYCINE, N-METHYL-N-(1-OXO-9-OCTADECENYL)-, SODIUM SALT",003624-77-9,23675452,sodium 2-[methyl-[(E)-octadec-9-enoyl]amino]acetate,CCCCCCCC/C=C/CCCCCCCC(=O)N(C)CC(=O)[O-].[Na+],"InChI=1S/C21H39NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);/q;+1/p-1/b11-10+;",VLKIFCBXANYYCK-ASTDGNLGSA-M,C21H38NNaO3,375.5,375.2749384,,60.4,372,0,0,3,17,26,,,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, BIS(2-ETHYLHEXYL) ESTER, POTASSIUM SALT",004971-46-4,23675922,potassium bis(2-ethylhexyl) phosphate,CCCCC(CC)COP(=O)([O-])OCC(CC)CCCC.[K+],"InChI=1S/C16H35O4P.K/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;/h15-16H,5-14H2,1-4H3,(H,17,18);/q;+1/p-1",VDWRBVKXEXWMIT-UHFFFAOYSA-M,C16H34KO4P,360.51,360.183178,,58.6,265,0,0,4,14,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"NONANOIC ACID, SODIUM SALT",014047-60-0,23674758,sodium nonanoate,CCCCCCCCC(=O)[O-].[Na+],"InChI=1S/C9H18O2.Na/c1-2-3-4-5-6-7-8-9(10)11;/h2-8H2,1H3,(H,10,11);/q;+1/p-1",LTOCMXUTASYUOC-UHFFFAOYSA-M,C9H17NaO2,180.22,180.1126241,,40.1,105,0,0,2,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHORIC ACID, DIBUTYL ESTER, SODIUM SALT",016298-74-1,23678411,sodium dibutyl phosphate,CCCCOP(=O)([O-])OCCCC.[Na+],"InChI=1S/C8H19O4P.Na/c1-3-5-7-11-13(9,10)12-8-6-4-2;/h3-8H2,1-2H3,(H,9,10);/q;+1/p-1",YEQCNBCFZFWPKX-UHFFFAOYSA-M,C8H18NaO4P,232.19,232.0840403,,58.6,151,0,0,4,8,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
MONO-2-(METHACRYLOYLOXY)ETHYL SUCCINATE,020882-04-6,88720,4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobutanoic acid,CC(=C)C(=O)OCCOC(=O)CCC(=O)O,"InChI=1S/C10H14O6/c1-7(2)10(14)16-6-5-15-9(13)4-3-8(11)12/h1,3-6H2,2H3,(H,11,12)",ZEWLHMQYEZXSBH-UHFFFAOYSA-N,C10H14O6,230.21,230.0790382,0.4,89.9,294,0,1,6,9,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-PHOSPHONO-.OMEGA.-(OCTYLOXY)-",031800-88-1,61900,2-octoxyethyl dihydrogen phosphate,CCCCCCCCOCCOP(=O)(O)O,"InChI=1S/C10H23O5P/c1-2-3-4-5-6-7-8-14-9-10-15-16(11,12)13/h2-10H2,1H3,(H2,11,12,13)",LAMZJBOHVLFABB-UHFFFAOYSA-N,C10H23O5P,254.26,254.1283108,1.7,76,192,0,2,5,11,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CALCIUM MAGNESIUM OXIDE,037247-91-9,161939,calcium;magnesium;bis(oxygen(2-)),[O-2].[O-2].[Mg+2].[Ca+2],InChI=1S/Ca.Mg.2O/q2*+2;2*-2,YLUIKWVQCKSMCF-UHFFFAOYSA-N,CaMgO2,96.38,95.9374618,,2,0,0,0,2,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"10-UNDECENAMIDE, N,N-BIS(2-HYDROXYETHYL)-",060239-68-1,108909,"N,N-bis(2-hydroxyethyl)undec-10-enamide",C=CCCCCCCCCC(=O)N(CCO)CCO,"InChI=1S/C15H29NO3/c1-2-3-4-5-6-7-8-9-10-15(19)16(11-13-17)12-14-18/h2,17-18H,1,3-14H2",NGENVFQAIKEQNS-UHFFFAOYSA-N,C15H29NO3,271.4,271.2147438,2.5,60.8,225,0,2,3,13,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"5-OCTEN-1-OL, (Z)-",064275-73-6,5352837,(Z)-oct-5-en-1-ol,CC/C=C\CCCCO,"InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h3-4,9H,2,5-8H2,1H3/b4-3-",VDHRTASWKDTLER-ARJAWSKDSA-N,C8H16O,128.21,128.1201151,2,20.2,67,0,1,1,5,9,,95.00 °C. @ 25.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-OCTADECANOL, PHOSPHATE, POTASSIUM SALT",068987-29-1,20511704,dipotassium;octadecyl phosphate,CCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].[K+].[K+],"InChI=1S/C18H39O4P.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;;/h2-18H2,1H3,(H2,19,20,21);;/q;2*+1/p-2",BWIIMRFKCNBWEH-UHFFFAOYSA-L,C18H37K2O4P,426.7,426.1703596,,72.4,267,0,0,4,17,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
Aluminum Calcium Iron Oxide,012068-35-8,44149294,aluminum;dicalcium;iron(3+);pentakis(oxygen(2-)),[O-2].[O-2].[O-2].[O-2].[O-2].[Al+3].[Ca+2].[Ca+2].[Fe+3],InChI=1S/Al.2Ca.Fe.5O/q+3;2*+2;+3;5*-2,AGWMJKGGLUJAPB-UHFFFAOYSA-N,AlCa2FeO5,242.98,242.816229,,5,0,0,0,5,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
VINYL OXIMINOSILANE,002224-33-1,75211,N-[bis[(butan-2-ylideneamino)oxy]-ethenylsilyl]oxybutan-2-imine,CCC(=NO[Si](C=C)(ON=C(C)CC)ON=C(C)CC)C,"InChI=1S/C14H27N3O3Si/c1-8-12(5)15-18-21(11-4,19-16-13(6)9-2)20-17-14(7)10-3/h11H,4,8-10H2,1-3,5-7H3",WXWYJCSIHQKADM-UHFFFAOYSA-N,C14H27N3O3Si,313.47,313.1821683,,64.8,365,0,0,6,10,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,1,0
"ZINC BIS(O,O-DIISOOCTYL PHOSPHORODITHIOATO-S,S)",028629-66-5,22494421,zinc bis(bis(6-methylheptoxy)-sulfanylidene-sulfido-lambda5-phosphane),CC(C)CCCCCOP(=S)(OCCCCCC(C)C)[S-].CC(C)CCCCCOP(=S)(OCCCCCC(C)C)[S-].[Zn+2],"InChI=1S/2C16H35O2PS2.Zn/c2*1-15(2)11-7-5-9-13-17-19(20,21)18-14-10-6-8-12-16(3)4;/h2*15-16H,5-14H2,1-4H3,(H,20,21);/q;;+2/p-2",SXYOAESUCSYJNZ-UHFFFAOYSA-L,C32H68O4P2S4Zn,772.5,770.276711,,103,251,0,0,8,28,43,"320 °F (min), open cup",,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM SILICATE,001312-76-1,15778988,dipotassium;oxido-[oxido(oxo)silyl]oxy-oxosilane,[O-][Si](=O)O[Si](=O)[O-].[K+].[K+],InChI=1S/2K.O5Si2/c;;1-6(2)5-7(3)4/q2*+1;-2,QQUPHDGGHUDUKR-UHFFFAOYSA-N,K2O5Si2,214.36,213.8558391,,89.5,71,0,0,5,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SULFAMIC ACID,005329-14-6,5987,sulfamic acid,NS(=O)(=O)O,"InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)",IIACRCGMVDHOTQ-UHFFFAOYSA-N,H3NO3S,97.1,96.98336413,-1.6,88.8,92,0,2,4,0,5,,DECOMP @ BOILING POINT,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
CETYL BROMIDE,000112-82-3,8213,1-bromohexadecane,CCCCCCCCCCCCCCCCBr,"InChI=1S/C16H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3",HNTGIJLWHDPAFN-UHFFFAOYSA-N,C16H33Br,305.34,304.17656,9.2,0,123,0,0,0,14,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,1,1,2-TETRACHLORO-2,2-DIFLUOROETHANE",000076-11-9,6426,"1,1,1,2-tetrachloro-2,2-difluoroethane",C(C(Cl)(Cl)Cl)(F)(F)Cl,"InChI=1S/C2Cl4F2/c3-1(4,5)2(6,7)8",SLGOCMATMKJJCE-UHFFFAOYSA-N,C2Cl4F2,203.8,203.869267,3.4,0,84,0,0,2,0,8,,"197 °F at 760 mmHg (NIOSH, 2024)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIBUTYL SEBACATE,000109-43-3,7986,dibutyl decanedioate,CCCCOC(=O)CCCCCCCCC(=O)OCCCC,"InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3",PYGXAGIECVVIOZ-UHFFFAOYSA-N,C18H34O4,314.5,314.2457096,5.3,52.6,248,0,0,4,17,22,353 °F (178 °C) (OPEN CUP),344.5 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ERBIUM CHLORIDE,010138-41-7,66277,trichloroerbium,Cl[Er](Cl)Cl,InChI=1S/3ClH.Er/h3*1H;/q;;;+3/p-3,HDGGAKOVUDZYES-UHFFFAOYSA-K,Cl3Er,273.61,270.836859,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ERUCIC ACID,000112-86-7,5281116,(Z)-docos-13-enoic acid,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O,"InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-",DPUOLQHDNGRHBS-KTKRTIGZSA-N,C22H42O2,338.6,338.3184806,8.7,37.3,284,0,1,2,19,24,,265 °C at 15 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MANGANESE OXIDE,001317-35-7,90479253,manganese(2+);bis(manganese(3+));tetrakis(oxygen(2-)),[O-2].[O-2].[O-2].[O-2].[Mn+2].[Mn+3].[Mn+3],InChI=1S/3Mn.4O/q+2;2*+3;4*-2,ZWXOQTHCXRZUJP-UHFFFAOYSA-N,Mn3O4,228.812,228.793788,,4,0,0,0,4,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
NIOBIUM(V) OXIDE,001313-96-8,9903420,bis(niobium(5+));pentakis(oxygen(2-)),[O-2].[O-2].[O-2].[O-2].[O-2].[Nb+5].[Nb+5],InChI=1S/2Nb.5O/q2*+5;5*-2,URLJKFSTXLNXLG-UHFFFAOYSA-N,Nb2O5,265.81,265.78732,,5,0,0,0,5,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
STRONTIUM FLUORIDE,007783-48-4,82210,strontium difluoride,[F-].[F-].[Sr+2],InChI=1S/2FH.Sr/h2*1H;/q;;+2/p-2,FVRNDBHWWSPNOM-UHFFFAOYSA-L,F2Sr,125.62,125.9024186,,0,0,0,0,2,0,3,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SPERMINE TETRAHYDROCHLORIDE,000306-67-2,9384,"N,N'-bis(3-aminopropyl)butane-1,4-diamine;tetrahydrochloride",C(CCNCCCN)CNCCCN.Cl.Cl.Cl.Cl,"InChI=1S/C10H26N4.4ClH/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;;;;/h13-14H,1-12H2;4*1H",XLDKUDAXZWHPFH-UHFFFAOYSA-N,C10H30Cl4N4,348.2,348.119508,,76.1,86,0,8,4,11,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,3-DIAMINOPROPIONIC ACID MONOHYDROCHLORIDE",054897-59-5,108638,"2,3-diaminopropanoic acid;hydrochloride",C(C(C(=O)O)N)N.Cl,"InChI=1S/C3H8N2O2.ClH/c4-1-2(5)3(6)7;/h2H,1,4-5H2,(H,6,7);1H",SKWCZPYWFRTSDD-UHFFFAOYSA-N,C3H9ClN2O2,140.57,140.0352552,,89.3,73,0,4,4,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ALUMINUM NITRIDE,024304-00-5,90455,azanylidynealumane,N#[Al],InChI=1S/Al.N,PIGFYZPCRLYGLF-UHFFFAOYSA-N,AlN,40.988,40.9846124,,23.8,10,0,0,1,0,2,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
TRICOSANOIC ACID,002433-96-7,17085,tricosanoic acid,CCCCCCCCCCCCCCCCCCCCCCC(=O)O,"InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25)",XEZVDURJDFGERA-UHFFFAOYSA-N,C23H46O2,354.6,354.3497807,10.2,37.3,263,0,1,2,21,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-AMINOHEXANOIC ACID,000060-32-2,564,6-aminohexanoic acid,C(CCC(=O)O)CCN,"InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)",SLXKOJJOQWFEFD-UHFFFAOYSA-N,C6H13NO2,131.17,131.0946287,-3,63.3,83,0,2,3,5,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-AMINOETHYLPHOSPHONIC ACID,006323-97-3,97709,1-aminoethylphosphonic acid,CC(N)P(=O)(O)O,"InChI=1S/C2H8NO3P/c1-2(3)7(4,5)6/h2H,3H2,1H3,(H2,4,5,6)",UIQSKEDQPSEGAU-UHFFFAOYSA-N,C2H8NO3P,125.06,125.0241801,-4.3,83.6,97,0,3,4,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIIRON PHOSPHIDE,001310-43-6,71311066,,P(#[Fe])=[Fe],InChI=1S/2Fe.P,GNTCPDPNMAMZFW-UHFFFAOYSA-N,Fe2P,142.66,142.843633,,0,40,0,0,0,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OCTADECYL ISOTHIOCYANATE,002877-26-1,76140,1-isothiocyanatooctadecane,CCCCCCCCCCCCCCCCCCN=C=S,"InChI=1S/C19H37NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h2-18H2,1H3",VJIRSSFEIRFISD-UHFFFAOYSA-N,C19H37NS,311.6,311.2646714,10.4,44.5,234,0,0,2,17,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NEODYMIUM BROMIDE,013536-80-6,83564,tribromoneodymium,Br[Nd](Br)Br,InChI=1S/3BrH.Nd/h3*1H;/q;;;+3/p-3,LBWLQVSRPJHLEY-UHFFFAOYSA-K,Br3Nd,383.95,380.66069,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DL-METHIONINE SULFOXIDE,000454-41-1,847,2-amino-4-methylsulfinylbutanoic acid,CS(=O)CCC(C(=O)O)N,"InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",QEFRNWWLZKMPFJ-UHFFFAOYSA-N,C5H11NO3S,165.21,165.0459644,-4.1,99.6,148,0,2,5,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LITHIUM MOLYBDATE,013568-40-6,6093689,dilithium;dioxido(dioxo)molybdenum,[Li+].[Li+].[O-][Mo](=O)(=O)[O-],InChI=1S/2Li.Mo.4O/q2*+1;;;;2*-1,NMHMDUCCVHOJQI-UHFFFAOYSA-N,Li2MoO4,173.9,175.917069,,80.3,62,0,0,4,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BISMUTH SULFIDE,001345-07-9,160976,dibismuth;trisulfide,[S-2].[S-2].[S-2].[Bi+3].[Bi+3],InChI=1S/2Bi.3S/q2*+3;3*-2,YNRGZHRFBQOYPP-UHFFFAOYSA-N,Bi2S3,514.2,513.87701,,3,0,0,0,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-CHLORO-3-IODOPROPANE,006940-76-7,81363,1-chloro-3-iodopropane,C(CCl)CI,InChI=1S/C3H6ClI/c4-2-1-3-5/h1-3H2,SFOYQZYQTQDRIY-UHFFFAOYSA-N,C3H6ClI,204.44,203.92028,2.3,0,16,0,0,0,2,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
11-BROMOUNDECANOL,001611-56-9,74163,11-bromoundecan-1-ol,C(CCCCCO)CCCCCBr,"InChI=1S/C11H23BrO/c12-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-11H2",XFGANBYCJWQYBI-UHFFFAOYSA-N,C11H23BrO,251.2,250.09323,5.2,20.2,86,0,1,1,10,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
12-BROMODODECANOIC ACID,073367-80-3,175468,12-bromododecanoic acid,C(CCCCCC(=O)O)CCCCCBr,"InChI=1S/C12H23BrO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11H2,(H,14,15)",YYKBWYBUCFHYPR-UHFFFAOYSA-N,C12H23BrO2,279.21,278.08814,5,37.3,149,0,1,2,11,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-METHYLGLUTARIC ACID,000626-51-7,12284,3-methylpentanedioic acid,CC(CC(=O)O)CC(=O)O,"InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)",XJMMNTGIMDZPMU-UHFFFAOYSA-N,C6H10O4,146.14,146.0579088,0.1,74.6,125,0,2,4,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
THULIUM CHLORIDE,013537-18-3,61643,trichlorothulium,Cl[Tm](Cl)Cl,InChI=1S/3ClH.Tm/h3*1H;/q;;;+3/p-3,ILOTUXNTERMOJL-UHFFFAOYSA-K,Cl3Tm,275.29,273.840777,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHOENOLPYRUVIC ACID, TRISODIUM SALT HYDRATE",005541-93-5,79673,trisodium;2-phosphonatooxyprop-2-enoate,C=C(C(=O)[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+],"InChI=1S/C3H5O6P.3Na/c1-2(3(4)5)9-10(6,7)8;;;/h1H2,(H,4,5)(H2,6,7,8);;;/q;3*+1/p-3",RJUFBDMHZGRGMA-UHFFFAOYSA-K,C3H2Na3O6P,233.99,233.9282076,,113,184,0,0,6,1,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"ZINC 2,4 PENTANEDIONATE",014024-63-6,25022293,"zinc bis(pentane-2,4-dione)",CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Zn+2],"InChI=1S/2C5H7O2.Zn/c2*1-4(6)3-5(2)7;/h2*3H,1-2H3;/q2*-1;+2",NHXVNEDMKGDNPR-UHFFFAOYSA-N,C10H14O4Zn,263.6,262.018351,,68.3,196,0,0,6,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HENEICOSANOIC ACID,002363-71-5,16898,henicosanoic acid,CCCCCCCCCCCCCCCCCCCCC(=O)O,"InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)",CKDDRHZIAZRDBW-UHFFFAOYSA-N,C21H42O2,326.6,326.3184806,9.1,37.3,238,0,1,2,19,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DOCOSANE,000629-97-0,12405,docosane,CCCCCCCCCCCCCCCCCCCCCC,"InChI=1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3",HOWGUJZVBDQJKV-UHFFFAOYSA-N,C22H46,310.6,310.3599515,11.5,0,153,0,0,0,19,22,113 °C (235 °F) - closed cup,"695.5 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIAMINO-2-HYDROXYPROPANE, N,N,N',N'-TETRAACETIC ACID",003148-72-9,18465,2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid,C(C(CN(CC(=O)O)CC(=O)O)O)N(CC(=O)O)CC(=O)O,"InChI=1S/C11H18N2O9/c14-7(1-12(3-8(15)16)4-9(17)18)2-13(5-10(19)20)6-11(21)22/h7,14H,1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)",WYMDDFRYORANCC-UHFFFAOYSA-N,C11H18N2O9,322.27,322.1012302,-6.5,176,356,0,5,11,12,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINOETHYLPHOSPHONIC ACID,002041-14-7,339,2-aminoethylphosphonic acid,C(CP(=O)(O)O)N,"InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)",QQVDJLLNRSOCEL-UHFFFAOYSA-N,C2H8NO3P,125.06,125.0241801,-4.8,83.6,86,0,3,4,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
NIOBIUM(II) OXIDE,012034-57-0,82838,oxoniobium,O=[Nb],InChI=1S/Nb.O,BFRGSJVXBIWTCF-UHFFFAOYSA-N,NbO,108.906,108.90129,,17.1,2,0,0,1,0,2,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BROMOUNDECANE,000693-67-4,12744,1-bromoundecane,CCCCCCCCCCCBr,"InChI=1S/C11H23Br/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3",IKPSIIAXIDAQLG-UHFFFAOYSA-N,C11H23Br,235.2,234.09831,6.5,0,71,0,0,0,9,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHANEBORONIC ACID,013061-96-6,139377,methylboronic acid,B(C)(O)O,"InChI=1S/CH5BO2/c1-2(3)4/h3-4H,1H3",KTMKRRPZPWUYKK-UHFFFAOYSA-N,CH5BO2,59.86,60.0382596,,40.5,13,0,2,2,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEXADECAFLUOROHEPTANE,000335-57-9,9553,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane",C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C7F16/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23",LGUZHRODIJCVOC-UHFFFAOYSA-N,C7F16,388.05,387.9744506,5.8,0,394,0,0,16,4,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PERFLUOROOCTANE,000307-34-6,9387,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane",C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26",YVBBRRALBYAZBM-UHFFFAOYSA-N,C8F18,438.06,437.9712569,6.5,0,468,0,0,18,5,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,9-NONANEDIOL",003937-56-2,19835,"nonane-1,9-diol",C(CCCCO)CCCCO,"InChI=1S/C9H20O2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2",ALVZNPYWJMLXKV-UHFFFAOYSA-N,C9H20O2,160.25,160.1463299,2.2,40.5,56,0,2,2,8,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4-BUTANETRIOL",003068-00-6,18302,"butane-1,2,4-triol",C(CO)C(CO)O,"InChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2",ARXKVVRQIIOZGF-UHFFFAOYSA-N,C4H10O3,106.12,106.0629942,-1.4,60.7,37,0,3,3,3,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TIGLIC ACID,000080-59-1,125468,(E)-2-methylbut-2-enoic acid,C/C=C(\C)/C(=O)O,"InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+",UIERETOOQGIECD-ONEGZZNKSA-N,C5H8O2,100.12,100.0524295,1,37.3,103,0,1,2,1,7,,"198.5 °C at 760 mm Hg, 95.0-96 °C at 11.5 mm Hg",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ALUMINUM AMMONIUM SULFATE DODECAHYDRATE,007784-26-1,62668,aluminum;azanium;disulfate;dodecahydrate,[NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3],"InChI=1S/Al.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3",WZUKKIPWIPZMAS-UHFFFAOYSA-K,AlH28NO20S2,453.3,453.046148,,190,62,0,13,20,0,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HOLMIUM CHLORIDE, HEXAHYDRATE",014914-84-2,16211475,trichloroholmium;hexahydrate,O.O.O.O.O.O.Cl[Ho](Cl)Cl,InChI=1S/3ClH.Ho.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3,BUQFCXABQYNXLP-UHFFFAOYSA-K,Cl3H12HoO6,379.38,377.900275,,6,8,0,6,6,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H,1H,2H,2H-PERFLUORO OCTYLTRIETHOXYSILANE",051851-37-7,103991,"triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane",CCO[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OCC)OCC,"InChI=1S/C14H19F13O3Si/c1-4-28-31(29-5-2,30-6-3)8-7-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h4-8H2,1-3H3",AVYKQOAMZCAHRG-UHFFFAOYSA-N,C14H19F13O3Si,510.36,510.0895871,,27.7,563,0,0,16,13,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAAMINEPALLADIUM(II) CHLORIDE MONOHYDRATE,013933-31-8,16211504,azane;dichloropalladium;hydrate,N.N.N.N.O.Cl[Pd]Cl,InChI=1S/2ClH.4H3N.H2O.Pd/h2*1H;4*1H3;1H2;/q;;;;;;;+2/p-2,WVCXSPJPERKPJS-UHFFFAOYSA-L,Cl2H14N4OPd,263.46,261.95795,,5,2,0,5,5,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-(TRIMETHOXYSILYL)PROPYL METHACRYLATE,002530-85-0,17318,3-trimethoxysilylpropyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCC[Si](OC)(OC)OC,"InChI=1S/C10H20O5Si/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5/h1,6-8H2,2-5H3",XDLMVUHYZWKMMD-UHFFFAOYSA-N,C10H20O5Si,248.35,248.1080003,,54,229,0,0,5,9,16,92 °C (198 °F) (closed cup),190 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DL-NORLEUCINE,000616-06-8,9475,2-aminohexanoic acid,CCCCC(C(=O)O)N,"InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)",LRQKBLKVPFOOQJ-UHFFFAOYSA-N,C6H13NO2,131.17,131.0946287,-1.5,63.3,93,0,2,3,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
YTTERBIUM HEXAFLUOROACETYLACETONATE DIHYDRATE,081849-60-7,74765547,"bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);ytterbium;dihydrate",C(=C(C(F)(F)F)O)C(=O)C(F)(F)F.C(=C(C(F)(F)F)O)C(=O)C(F)(F)F.O.O.[Yb],"InChI=1S/2C5H2F6O2.2H2O.Yb/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;;;/h2*1,12H;2*1H2;",MHHPBTBQHUHFDW-UHFFFAOYSA-N,C10H8F12O6Yb,625.19,625.9517935,,76.6,234,0,4,18,2,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-OCTYL CYANIDE,002243-27-8,16715,nonanenitrile,CCCCCCCCC#N,"InChI=1S/C9H17N/c1-2-3-4-5-6-7-8-9-10/h2-8H2,1H3",PLZZPPHAMDJOSR-UHFFFAOYSA-N,C9H17N,139.24,139.1360995,3.1,23.8,98,0,0,1,6,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
OMEGA-BROMODECANOIC ACID,050530-12-6,142712,10-bromodecanoic acid,C(CCCCC(=O)O)CCCCBr,"InChI=1S/C10H19BrO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-9H2,(H,12,13)",PGVRSPIEZYGOAD-UHFFFAOYSA-N,C10H19BrO2,251.16,250.05684,4,37.3,126,0,1,2,9,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ACETYL-DL-CARNITINE HCL,002504-11-2,197763,(2-acetyloxy-3-carboxypropyl)-trimethylazanium chloride,CC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-],"InChI=1S/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H",JATPLOXBFFRHDN-UHFFFAOYSA-N,C9H18ClNO4,239.69,239.0924357,,63.6,219,0,1,5,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
D-(-)-ERYTHROSE,000583-50-6,94176,"(2R,3R)-2,3,4-trihydroxybutanal",C([C@H]([C@H](C=O)O)O)O,"InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h1,3-4,6-8H,2H2/t3-,4+/m0/s1",YTBSYETUWUMLBZ-IUYQGCFVSA-N,C4H8O4,120.1,120.0422587,-2.2,77.8,72,0,3,4,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CERIUM IODIDE,007790-87-6,123265,triiodocerium,I[Ce](I)I,InChI=1S/Ce.3HI/h;3*1H/q+3;;;/p-3,ZEDZJUDTPVFRNB-UHFFFAOYSA-K,CeI3,520.829,520.6189,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TETRABUTYLAMMONIUM TRIFLUOROMETHANESULFONATE,035895-70-6,2733306,tetrabutylazanium;trifluoromethanesulfonate,CCCC[N+](CCCC)(CCCC)CCCC.C(F)(F)(F)S(=O)(=O)[O-],"InChI=1S/C16H36N.CHF3O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)8(5,6)7/h5-16H2,1-4H3;(H,5,6,7)/q+1;/p-1",YNJQKNVVBBIPBA-UHFFFAOYSA-M,C17H36F3NO3S,391.5,391.2367997,,65.6,261,0,0,6,12,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-MERCAPTOPROPYLTRIETHOXYSILANE,014814-09-6,84658,3-triethoxysilylpropane-1-thiol,CCO[Si](CCCS)(OCC)OCC,"InChI=1S/C9H22O3SSi/c1-4-10-14(11-5-2,12-6-3)9-7-8-13/h13H,4-9H2,1-3H3",DCQBZYNUSLHVJC-UHFFFAOYSA-N,C9H22O3SSi,238.42,238.1058923,,28.7,118,0,1,4,9,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
GADOLINIUM BROMIDE,013818-75-2,83754,tribromogadolinium,Br[Gd](Br)Br,InChI=1S/3BrH.Gd/h3*1H;/q;;;+3/p-3,KGOKDPWKDBWITQ-UHFFFAOYSA-K,Br3Gd,396.96,396.67707,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DL-THREITOL,006968-16-7,8998,"butane-1,2,3,4-tetrol",C(C(C(CO)O)O)O,"InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2",UNXHWFMMPAWVPI-UHFFFAOYSA-N,C4H10O4,122.12,122.0579088,-2.3,80.9,48,0,4,4,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-(DIMETHYLAMINO)-2-METHYL-2-PROPENAL,019125-76-9,2777801,(E)-3-(dimethylamino)-2-methylprop-2-enal,C/C(=C\N(C)C)/C=O,"InChI=1S/C6H11NO/c1-6(5-8)4-7(2)3/h4-5H,1-3H3/b6-4+",JGAMOQYFDMQPRJ-GQCTYLIASA-N,C6H11NO,113.16,113.084064,0.5,20.3,105,0,0,2,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-DODECANOL,010203-28-8,25045,dodecan-2-ol,CCCCCCCCCCC(C)O,"InChI=1S/C12H26O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12-13H,3-11H2,1-2H3",XSWSEQPWKOWORN-UHFFFAOYSA-N,C12H26O,186.33,186.1983654,5.1,20.2,91,0,1,1,9,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
(TRIMETHYLPHOSPHINE)GOLD(I) CHLORIDE,015278-97-4,11702286,chlorogold;trimethylphosphane,CP(C)C.Cl[Au],InChI=1S/C3H9P.Au.ClH/c1-4(2)3;;/h1-3H3;;1H/q;+1;/p-1,BVRRHCPRDPAYFI-UHFFFAOYSA-M,C3H9AuClP,308.5,307.97961,,0,10,0,0,0,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAPROPOXYSILANE,000682-01-9,69627,tetrapropyl silicate,CCCO[Si](OCCC)(OCCC)OCCC,"InChI=1S/C12H28O4Si/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-12H2,1-4H3",ZQZCOBSUOFHDEE-UHFFFAOYSA-N,C12H28O4Si,264.43,264.1756859,,36.9,129,0,0,4,12,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
DIETHYLENE GLYCOL MONOETHYL ETHER ACETATE,000112-15-2,8165,2-(2-ethoxyethoxy)ethyl acetate,CCOCCOCCOC(=O)C,"InChI=1S/C8H16O4/c1-3-10-4-5-11-6-7-12-8(2)9/h3-7H2,1-2H3",FPZWZCWUIYYYBU-UHFFFAOYSA-N,C8H16O4,176.21,176.104859,0.2,44.8,114,0,0,4,8,12,"230 °F (USCG, 1999)","423.32 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
BUTYL OLEATE,000142-77-8,5354342,butyl (Z)-octadec-9-enoate,CCCCCCCC/C=C\CCCCCCCC(=O)OCCCC,"InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3/b13-12-",WIBFFTLQMKKBLZ-SEYXRHQNSA-N,C22H42O2,338.6,338.3184806,8.8,26.3,284,0,0,2,19,24,356 °F,228 °C AT 15 MM HG,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ZIRCONIUM SILICATE,014940-68-2,61775,zirconium(4+) silicate,[O-][Si]([O-])([O-])[O-].[Zr+4],"InChI=1S/O4Si.Zr/c1-5(2,3)4;/q-4;+4",GFQYVLUOOAAOGM-UHFFFAOYSA-N,O4SiZr,183.3,181.861284,,92.2,19,0,0,4,0,6,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIOCTYL FUMARATE,000141-02-6,5370325,bis(2-ethylhexyl) (E)-but-2-enedioate,CCCCC(CC)COC(=O)/C=C/C(=O)OCC(CC)CCCC,"InChI=1S/C20H36O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3/b14-13+",ROPXFXOUUANXRR-BUHFOSPRSA-N,C20H36O4,340.5,340.2613596,6.5,52.6,329,0,0,4,16,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
TRIHEPTYLAMINE,002411-36-1,75483,"N,N-diheptylheptan-1-amine",CCCCCCCN(CCCCCCC)CCCCCCC,"InChI=1S/C21H45N/c1-4-7-10-13-16-19-22(20-17-14-11-8-5-2)21-18-15-12-9-6-3/h4-21H2,1-3H3",CLZGJKHEVKJLLS-UHFFFAOYSA-N,C21H45N,311.6,311.3552004,8.9,3.2,157,0,0,1,18,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SULFATED PROPYLOLEATE SODIUM SALT,068517-12-4,23668655,sodium (1-oxo-1-propoxyoctadecan-9-yl) sulfate,CCCCCCCCCC(CCCCCCCC(=O)OCCC)OS(=O)(=O)[O-].[Na+],"InChI=1S/C21H42O6S.Na/c1-3-5-6-7-8-10-13-16-20(27-28(23,24)25)17-14-11-9-12-15-18-21(22)26-19-4-2;/h20H,3-19H2,1-2H3,(H,23,24,25);/q;+1/p-1",UCADGUQOBVAEFC-UHFFFAOYSA-M,C21H41NaO6S,444.6,444.2521545,,101,464,0,0,6,21,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM RICINOLEATE,007492-30-0,23716429,"potassium (Z,12R)-12-hydroxyoctadec-9-enoate",CCCCCC[C@H](C/C=C\CCCCCCCC(=O)[O-])O.[K+],"InChI=1S/C18H34O3.K/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;+1/p-1/b12-9-;/t17-;/m1./s1",VAKMIIPDYZXBEV-DPMBMXLASA-M,C18H33KO3,336.6,336.2066764,,60.4,267,0,1,3,15,22,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
16-METHYLHEPTADECANOIC ACID,002724-58-5,21859,16-methylheptadecanoic acid,CC(C)CCCCCCCCCCCCCCC(=O)O,"InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)",XDOFQFKRPWOURC-UHFFFAOYSA-N,C18H36O2,284.5,284.2715304,7.2,37.3,211,0,1,2,15,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ETHYLMALONIC ACID,000601-75-2,11756,2-ethylpropanedioic acid,CCC(C(=O)O)C(=O)O,"InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9)",UKFXDFUAPNAMPJ-UHFFFAOYSA-N,C5H8O4,132.11,132.0422587,0.4,74.6,115,0,2,4,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYLIMINODIACETIC ACID,004408-64-4,20441,2-[carboxymethyl(methyl)amino]acetic acid,CN(CC(=O)O)CC(=O)O,"InChI=1S/C5H9NO4/c1-6(2-4(7)8)3-5(9)10/h2-3H2,1H3,(H,7,8)(H,9,10)",XWSGEVNYFYKXCP-UHFFFAOYSA-N,C5H9NO4,147.13,147.0531578,-3.3,77.8,129,0,2,5,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
11-METHYLTRIDECANOIC ACID,029709-05-5,4052642,11-methyltridecanoic acid,CCC(C)CCCCCCCCCC(=O)O,"InChI=1S/C14H28O2/c1-3-13(2)11-9-7-5-4-6-8-10-12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)",JIPTZBYHWFNYFB-UHFFFAOYSA-N,C14H28O2,228.37,228.2089301,5,37.3,166,0,1,2,11,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
12-METHYLTRIDECANOIC ACID,002724-57-4,520298,12-methyltridecanoic acid,CC(C)CCCCCCCCCCC(=O)O,"InChI=1S/C14H28O2/c1-13(2)11-9-7-5-3-4-6-8-10-12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)",YYVJAABUJYRQJO-UHFFFAOYSA-N,C14H28O2,228.37,228.2089301,5,37.3,164,0,1,2,11,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAETHYL METHYLENEDIPHOSPHONATE,001660-94-2,15455,1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane,CCOP(=O)(CP(=O)(OCC)OCC)OCC,"InChI=1S/C9H22O6P2/c1-5-12-16(10,13-6-2)9-17(11,14-7-3)15-8-4/h5-9H2,1-4H3",STJWVOQLJPNAQL-UHFFFAOYSA-N,C9H22O6P2,288.21,288.0891624,0.3,71.1,245,0,0,6,10,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MAGNESIUM BROMIDE,007789-48-2,82241,magnesium dibromide,[Mg+2].[Br-].[Br-],InChI=1S/2BrH.Mg/h2*1H;/q;;+2/p-2,OTCKOJUMXQWKQG-UHFFFAOYSA-L,Br2Mg,184.11,183.81967,,0,0,0,0,2,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRABUTYL ORTHOSILICATE,004766-57-8,78500,tetrabutyl silicate,CCCCO[Si](OCCCC)(OCCCC)OCCCC,"InChI=1S/C16H36O4Si/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-16H2,1-4H3",UQMOLLPKNHFRAC-UHFFFAOYSA-N,C16H36O4Si,320.54,320.2382862,,36.9,169,0,0,4,16,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAKIS(TRIMETHYLSILYL)SILANE,004098-98-0,138115,tetrakis(trimethylsilyl)silane,C[Si](C)(C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C,"InChI=1S/C12H36Si5/c1-13(2,3)17(14(4,5)6,15(7,8)9)16(10,11)12/h1-12H3",BOJSDHZZKKYWAS-UHFFFAOYSA-N,C12H36Si5,320.84,320.1663338,,0,208,0,0,0,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIMETHYL L-ASPARTATE HYDROCHLORIDE,032213-95-9,2734892,dimethyl (2S)-2-aminobutanedioate;hydrochloride,COC(=O)C[C@@H](C(=O)OC)N.Cl,"InChI=1S/C6H11NO4.ClH/c1-10-5(8)3-4(7)6(9)11-2;/h4H,3,7H2,1-2H3;1H/t4-;/m0./s1",PNLXWGDXZOYUKB-WCCKRBBISA-N,C6H12ClNO4,197.62,197.0454856,,78.6,157,0,2,5,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM FORMATE-D,003996-15-4,16212395,sodium deuterioformate,[2H]C(=O)[O-].[Na+],"InChI=1S/CH2O2.Na/c2-1-3;/h1H,(H,2,3);/q;+1/p-1/i1D;",HLBBKKJFGFRGMU-RWQOXAPSSA-M,CHNaO2,69.013,68.9937003,,40.1,13,0,0,2,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-BROMOPENTYL ACETATE,015848-22-3,85140,5-bromopentyl acetate,CC(=O)OCCCCCBr,"InChI=1S/C7H13BrO2/c1-7(9)10-6-4-2-3-5-8/h2-6H2,1H3",JIHJLQWUVZUKCH-UHFFFAOYSA-N,C7H13BrO2,209.08,208.00989,2.4,26.3,93,0,0,2,6,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AGMATINE SULFATE,002482-00-0,2794990,2-(4-aminobutyl)guanidine;sulfuric acid,C(CCN=C(N)N)CN.OS(=O)(=O)O,"InChI=1S/C5H14N4.H2O4S/c6-3-1-2-4-9-5(7)8;1-5(2,3)4/h1-4,6H2,(H4,7,8,9);(H2,1,2,3,4)",PTAYFGHRDOMJGC-UHFFFAOYSA-N,C5H16N4O4S,228.27,228.0892262,,173,166,0,5,6,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DYSPROSIUM (III) CHLORIDE, ANHYDROUS",010025-74-8,66207,trichlorodysprosium,Cl[Dy](Cl)Cl,InChI=1S/3ClH.Dy/h3*1H;/q;;;+3/p-3,BOXVSFHSLKQLNZ-UHFFFAOYSA-K,Cl3Dy,268.85,268.835739,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SULFAMIDE,007803-58-9,82267,sulfamide,NS(=O)(=O)N,"InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)",NVBFHJWHLNUMCV-UHFFFAOYSA-N,H4N2O2S,96.11,95.99934855,-1.7,94.6,85,0,2,4,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINOETHYL METHACRYLATE HYDROCHLORIDE,002420-94-2,75495,2-aminoethyl 2-methylprop-2-enoate;hydrochloride,CC(=C)C(=O)OCCN.Cl,"InChI=1S/C6H11NO2.ClH/c1-5(2)6(8)9-4-3-7;/h1,3-4,7H2,2H3;1H",XSHISXQEKIKSGC-UHFFFAOYSA-N,C6H12ClNO2,165.62,165.0556563,,52.3,120,0,2,3,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TETRABUTYLAMMONIUM ACETATE,010534-59-5,82707,tetrabutylazanium acetate,CCCC[N+](CCCC)(CCCC)CCCC.CC(=O)[O-],"InChI=1S/C16H36N.C2H4O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2(3)4/h5-16H2,1-4H3;1H3,(H,3,4)/q+1;/p-1",MCZDHTKJGDCTAE-UHFFFAOYSA-M,C18H39NO2,301.5,301.2980795,,40.1,142,0,0,2,12,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEXYLTRIMETHOXYSILANE,003069-19-0,76478,hexyl(trimethoxy)silane,CCCCCC[Si](OC)(OC)OC,"InChI=1S/C9H22O3Si/c1-5-6-7-8-9-13(10-2,11-3)12-4/h5-9H2,1-4H3",CZWLNMOIEMTDJY-UHFFFAOYSA-N,C9H22O3Si,206.35,206.1338211,,27.7,107,0,0,3,8,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
LITHIUM METHACRYLATE,013234-23-6,4054108,lithium 2-methylprop-2-enoate,[Li+].CC(=C)C(=O)[O-],"InChI=1S/C4H6O2.Li/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);/q;+1/p-1",RLQOUIUVEQXDPW-UHFFFAOYSA-M,C4H5LiO2,92,92.04495783,,40.1,87,0,0,2,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DL-B-AMINOISOBUTYRIC ACID,010569-72-9,64956,3-amino-2-methylpropanoic acid,CC(CN)C(=O)O,"InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)",QCHPKSFMDHPSNR-UHFFFAOYSA-N,C4H9NO2,103.12,103.0633285,-2.9,63.3,72,0,2,3,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-THREITOL,002319-57-5,445969,"(2S,3S)-butane-1,2,3,4-tetrol",C([C@@H]([C@H](CO)O)O)O,"InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m0/s1",UNXHWFMMPAWVPI-IMJSIDKUSA-N,C4H10O4,122.12,122.0579088,-2.3,80.9,48,0,4,4,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COPPER (I) ACETATE,000598-54-9,69023,copper(1+) acetate,CC(=O)[O-].[Cu+],"InChI=1S/C2H4O2.Cu/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1",RFKZUAOAYVHBOY-UHFFFAOYSA-M,C2H3CuO2,122.59,121.942901,,40.1,25,0,0,2,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-CHLOROETHANESULFONIC ACID, SODIUM SALT",015484-44-3,23666332,sodium;2-chloroethanesulfonate;hydrate,C(CCl)S(=O)(=O)[O-].O.[Na+],"InChI=1S/C2H5ClO3S.Na.H2O/c3-1-2-7(4,5)6;;/h1-2H2,(H,4,5,6);;1H2/q;+1;/p-1",OSEJMOGPHHVJJG-UHFFFAOYSA-M,C2H6ClNaO4S,184.58,183.9573018,,66.6,125,0,1,4,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIISOPROPYL AZODICARBOXYLATE,002446-83-5,5363146,propan-2-yl (NE)-N-propan-2-yloxycarbonyliminocarbamate,CC(C)OC(=O)/N=N/C(=O)OC(C)C,"InChI=1S/C8H14N2O4/c1-5(2)13-7(11)9-10-8(12)14-6(3)4/h5-6H,1-4H3/b10-9+",VVWRJUBEIPHGQF-MDZDMXLPSA-N,C8H14N2O4,202.21,202.0953569,2.6,77.3,211,0,0,4,4,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
11-BROMO-1-UNDECENE,007766-50-9,284148,11-bromoundec-1-ene,C=CCCCCCCCCCBr,"InChI=1S/C11H21Br/c1-2-3-4-5-6-7-8-9-10-11-12/h2H,1,3-11H2",YPLVPFUSXYSHJD-UHFFFAOYSA-N,C11H21Br,233.19,232.08266,6,0,89,0,0,0,9,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GOLD(I) IODIDE,010294-31-2,82526,iodogold,I[Au],InChI=1S/Au.HI/h;1H/q+1;/p-1,ATGIETUGWDAYPU-UHFFFAOYSA-M,AuI,323.871,323.87104,,0,2,0,0,0,0,2,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DIMETHYL-3-HEPTANOL",019549-72-5,140545,"2,4-dimethylheptan-3-ol",CCCC(C)C(C(C)C)O,"InChI=1S/C9H20O/c1-5-6-8(4)9(10)7(2)3/h7-10H,5-6H2,1-4H3",PSCLFHNWSAXNJL-UHFFFAOYSA-N,C9H20O,144.25,144.1514153,3.2,20.2,78,0,1,1,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL DIOCTADECYLAMINE,004088-22-6,77709,N-methyl-N-octadecyloctadecan-1-amine,CCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCCCC,"InChI=1S/C37H77N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-37H2,1-3H3",VFLWKHBYVIUAMP-UHFFFAOYSA-N,C37H77N,536,535.6056015,17.9,3.2,356,0,0,1,34,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-ACETYLGLYCINE,000543-24-8,10972,2-acetamidoacetic acid,CC(=O)NCC(=O)O,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)",OKJIRPAQVSHGFK-UHFFFAOYSA-N,C4H7NO3,117.1,117.0425931,-1.2,66.4,110,0,2,3,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"COPPER (II) PYROPHOSPHATE, HYDRATE",304671-71-4,16212263,dicopper;phosphonato phosphate;hydrate,O.[O-]P(=O)([O-])OP(=O)([O-])[O-].[Cu+2].[Cu+2],"InChI=1S/2Cu.H4O7P2.H2O/c;;1-8(2,3)7-9(4,5)6;/h;;(H2,1,2,3)(H2,4,5,6);1H2/q2*+2;;/p-4",PXZSJEBZWADSIY-UHFFFAOYSA-J,Cu2H2O8P2,319.05,317.781685,,137,124,0,1,8,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-HEXYN-1-OL,000928-90-5,70234,hex-5-yn-1-ol,C#CCCCCO,"InChI=1S/C6H10O/c1-2-3-4-5-6-7/h1,7H,3-6H2",GOQJMMHTSOQIEI-UHFFFAOYSA-N,C6H10O,98.14,98.07316494,0.8,20.2,67,0,1,1,3,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OXAMIC ACID FREE ACID,000471-47-6,974,oxamic acid,C(=O)(C(=O)O)N,"InChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6)",SOWBFZRMHSNYGE-UHFFFAOYSA-N,C2H3NO3,89.05,89.01129296,-0.9,80.4,86,0,2,3,1,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DODECYLTRIETHOXYSILANE,018536-91-9,87696,dodecyl(triethoxy)silane,CCCCCCCCCCCC[Si](OCC)(OCC)OCC,"InChI=1S/C18H40O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-22(19-6-2,20-7-3)21-8-4/h5-18H2,1-4H3",YGUFXEJWPRRAEK-UHFFFAOYSA-N,C18H40O3Si,332.6,332.2746717,,27.7,207,0,0,3,17,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHYL (2-BROMOETHYL)PHOSPHONATE,005324-30-1,79218,1-bromo-2-diethoxyphosphorylethane,CCOP(=O)(CCBr)OCC,"InChI=1S/C6H14BrO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-6H2,1-2H3",PINITSMLVXAASM-UHFFFAOYSA-N,C6H14BrO3P,245.05,243.98639,1,35.5,130,0,0,3,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GALLIUM(III) SULFATE,013494-91-2,64773,digallium;trisulfate,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ga+3].[Ga+3],"InChI=1S/2Ga.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6",UXLRWZBQRAWBQA-UHFFFAOYSA-H,Ga2O12S3,427.6,427.70547,,266,62,0,0,12,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM GOLD (1) SULFITE SOLUTION,019153-98-1,167790,trisodium;gold(1+);disulfite,[O-]S(=O)[O-].[O-]S(=O)[O-].[Na+].[Na+].[Na+].[Au+],"InChI=1S/Au.3Na.2H2O3S/c;;;;2*1-4(2)3/h;;;;2*(H2,1,2,3)/q4*+1;;/p-4",YZFKUFJKKKTKSB-UHFFFAOYSA-J,AuNa3O6S2,426.07,425.849508,,165,18,0,0,8,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ZINC SULFITE DIHYDRATE,007488-52-0,16213628,zinc;sulfite;dihydrate,O.O.[O-]S(=O)[O-].[Zn+2],"InChI=1S/H2O3S.2H2O.Zn/c1-4(2)3;;;/h(H2,1,2,3);2*1H2;/q;;;+2/p-2",QUPDPMXNPJYOTJ-UHFFFAOYSA-L,H4O5SZn,181.5,179.907086,,84.4,18,0,2,6,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAMETHYL ORTHOSILICATE,000681-57-2,12681,"2,2-dimethylpentanedioic acid",CC(C)(CCC(=O)O)C(=O)O,"InChI=1S/C7H12O4/c1-7(2,6(10)11)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)(H,10,11)",BTUDGPVTCYNYLK-UHFFFAOYSA-N,C7H12O4,160.17,160.0735589,0.7,74.6,171,0,2,4,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
O-METHYLISOUREA HYDROGENSULFATE,029427-58-5,169039,methyl carbamimidate;sulfuric acid,COC(=N)N.OS(=O)(=O)O,"InChI=1S/C2H6N2O.H2O4S/c1-5-2(3)4;1-5(2,3)4/h1H3,(H3,3,4);(H2,1,2,3,4)",MDFRYRPNRLLJHT-UHFFFAOYSA-N,C2H8N2O5S,172.16,172.0153925,,142,124,0,4,6,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-GLUTAMINE-15N2 ACID A-N-T BOC DERIVATIVE,013726-85-7,83687,(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid,CC(C)(C)OC(=O)N[C@@H](CCC(=O)N)C(=O)O,"InChI=1S/C10H18N2O5/c1-10(2,3)17-9(16)12-6(8(14)15)4-5-7(11)13/h6H,4-5H2,1-3H3,(H2,11,13)(H,12,16)(H,14,15)/t6-/m0/s1",VVNYDCGZZSTUBC-LURJTMIESA-N,C10H18N2O5,246.26,246.1215717,-0.2,119,308,0,3,5,7,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-EPSILON-ACETYL-L-LYSINE,000692-04-6,92832,(2S)-6-acetamido-2-aminohexanoic acid,CC(=O)NCCCC[C@@H](C(=O)O)N,"InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1",DTERQYGMUDWYAZ-ZETCQYMHSA-N,C8H16N2O3,188.22,188.1160924,-2.8,92.4,182,0,3,4,6,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(S)-(-)-(3-CHLORO-2-HYDROXYPROPYL)-TRIMETHYLAMMONIUM CHLORIDE,101396-91-2,2793814,[(2S)-3-chloro-2-hydroxypropyl]-trimethylazanium chloride,C[N+](C)(C)C[C@@H](CCl)O.[Cl-],"InChI=1S/C6H15ClNO.ClH/c1-8(2,3)5-6(9)4-7;/h6,9H,4-5H2,1-3H3;1H/q+1;/p-1/t6-;/m1./s1",CSPHGSFZFWKVDL-FYZOBXCZSA-M,C6H15Cl2NO,188.09,187.0530695,,20.2,79,0,1,2,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N-((1,1-DIMETHYLETHOXY)CARBONYL)-L-LEUCINE",013139-15-6,83170,(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid,CC(C)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C,"InChI=1S/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m0/s1",MDXGYYOJGPFFJL-QMMMGPOBSA-N,C11H21NO4,231.29,231.1470582,2.2,75.6,255,0,2,4,6,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GLYCINE-D5,004896-77-9,2723970,"deuterio 2,2-dideuterio-2-(dideuterioamino)acetate",[2H]C([2H])(C(=O)O[2H])N([2H])[2H],"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i1D2/hD3",DHMQDGOQFOQNFH-LGLHGEJLSA-N,C2H5NO2,80.1,80.06341213,-3.2,63.3,42,0,2,3,1,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIMETHYL 2-OXOGLUTARATE,013192-04-6,25775,dimethyl 2-oxopentanedioate,COC(=O)CCC(=O)C(=O)OC,"InChI=1S/C7H10O5/c1-11-6(9)4-3-5(8)7(10)12-2/h3-4H2,1-2H3",TXIXSLPEABAEHP-UHFFFAOYSA-N,C7H10O5,174.15,174.0528234,-0.2,69.7,196,0,0,5,6,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(DIMETHYLAMINOMETHYLENE)DIMETHYLAMMONIUM CHLORIDE,001071-38-1,9793790,dimethylaminomethylidene(dimethyl)azanium chloride,CN(C)C=[N+](C)C.[Cl-],"InChI=1S/C5H13N2.ClH/c1-6(2)5-7(3)4;/h5H,1-4H3;1H/q+1;/p-1",BPBLGCSAYMJJJW-UHFFFAOYSA-M,C5H13ClN2,136.62,136.0767261,,6.3,59,0,0,1,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-(DIETHYLAMINO)-1,2-PROPANEDIOL",000621-56-7,79074,"3-(diethylamino)propane-1,2-diol",CCN(CC)CC(CO)O,"InChI=1S/C7H17NO2/c1-3-8(4-2)5-7(10)6-9/h7,9-10H,3-6H2,1-2H3",LTACQVCHVAUOKN-UHFFFAOYSA-N,C7H17NO2,147.22,147.1259288,-0.3,43.7,74,0,2,3,5,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,3-PROPANETRICARBOXYLIC ACID",000099-14-9,14925,"propane-1,2,3-tricarboxylic acid",C(C(CC(=O)O)C(=O)O)C(=O)O,"InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",KQTIIICEAUMSDG-UHFFFAOYSA-N,C6H8O6,176.12,176.032088,-1.2,112,192,0,3,6,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(E)-3,7-DIMETHYL-2,6-OCTADIEN-1-OL ACETATE",000105-87-3,1549026,"[(2E)-3,7-dimethylocta-2,6-dienyl] acetate",CC(=CCC/C(=C/COC(=O)C)/C)C,"InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+",HIGQPQRQIQDZMP-DHZHZOJOSA-N,C12H20O2,196.29,196.1463299,3.5,26.3,233,0,0,2,6,14,"greater than 200 °F (NTP, 1992)","468 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
N-OCTADECYL-1-OCTADECANAMINE,000112-99-2,66989,N-octadecyloctadecan-1-amine,CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC,"InChI=1S/C36H75N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3",HKUFIYBZNQSHQS-UHFFFAOYSA-N,C36H75N,522,521.5899514,17.5,12,332,0,1,1,34,37,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
1-OCTACOSANOL,000557-61-9,68406,octacosan-1-ol,CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,"InChI=1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3",CNNRPFQICPFDPO-UHFFFAOYSA-N,C28H58O,410.8,410.4487665,13.8,20.2,263,0,1,1,26,29,,"392 to 482 °F at 1 mmHg (sublimes) (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEXANEDIAMIDE,000628-94-4,12364,hexanediamide,C(CCC(=O)N)CC(=O)N,"InChI=1S/C6H12N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)",GVNWZKBFMFUVNX-UHFFFAOYSA-N,C6H12N2O2,144.17,144.0898776,-1.2,86.2,118,0,2,2,5,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-METHYL-2-PROPENOIC ACID, 3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUOROOCTYL ESTER",002144-53-8,75066,"3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylprop-2-enoate",CC(=C)C(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C12H9F13O2/c1-5(2)6(26)27-4-3-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h1,3-4H2,2H3",CDXFIRXEAJABAZ-UHFFFAOYSA-N,C12H9F13O2,432.18,432.0394956,5.9,26.3,576,0,0,15,9,27,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
"2-PROPENOIC ACID, DECYL ESTER",002156-96-9,16541,decyl prop-2-enoate,CCCCCCCCCCOC(=O)C=C,"InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h4H,2-3,5-12H2,1H3",FWLDHHJLVGRRHD-UHFFFAOYSA-N,C13H24O2,212.33,212.17763,5.1,26.3,164,0,0,2,11,15,"260 °F (USCG, 1999)","473 °F at 760 mmHg (est.) (USCG, 1999)",0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, HEXYL ESTER",002499-95-8,17259,hexyl prop-2-enoate,CCCCCCOC(=O)C=C,"InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h4H,2-3,5-8H2,1H3",LNMQRPPRQDGUDR-UHFFFAOYSA-N,C9H16O2,156.22,156.1150297,3.4,26.3,119,0,0,2,7,11,68 °C c.c.,188 °C,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
MONOMETHYL SUCCINATE,003878-55-5,77487,4-methoxy-4-oxobutanoic acid,COC(=O)CCC(=O)O,"InChI=1S/C5H8O4/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H,6,7)",JDRMYOQETPMYQX-UHFFFAOYSA-N,C5H8O4,132.11,132.0422587,0,63.6,118,0,1,4,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIETHYL-N-METHYLETHANAMINIUM CHLORIDE",010052-47-8,82326,triethyl(methyl)azanium chloride,CC[N+](C)(CC)CC.[Cl-],"InChI=1S/C7H18N.ClH/c1-5-8(4,6-2)7-3;/h5-7H2,1-4H3;1H/q+1;/p-1",NIUZJTWSUGSWJI-UHFFFAOYSA-M,C7H18ClN,151.68,151.1127773,,0,47,0,0,1,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2-BIS(((MERCAPTOACETYL)OXY)METHYL)-1,3-PROPANEDIYL BIS(MERCAPTOACETATE)",010193-99-4,82441,"[3-(2-sulfanylacetyl)oxy-2,2-bis[(2-sulfanylacetyl)oxymethyl]propyl] 2-sulfanylacetate",C(C(=O)OCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS)S,"InChI=1S/C13H20O8S4/c14-9(1-22)18-5-13(6-19-10(15)2-23,7-20-11(16)3-24)8-21-12(17)4-25/h22-25H,1-8H2",RUDUCNPHDIMQCY-UHFFFAOYSA-N,C13H20O8S4,432.6,432.0041023,1.2,109,385,0,4,12,16,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SULFAMIC ACID, IRON(2+) SALT (2:1)",014017-39-1,166976,iron(2+) disulfamate,NS(=O)(=O)[O-].NS(=O)(=O)[O-].[Fe+2],"InChI=1S/Fe.2H3NO3S/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2",SQZYOZWYVFYNFV-UHFFFAOYSA-L,FeH4N2O6S2,248.02,247.886014,,183,79,0,2,8,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-ETHANEDIAMINE, N,N'-BIS(2-AMNNOETHYL)-, DIHYDROCHLORIDE",038260-01-4,71433,"N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;dihydrochloride",C(CNCCNCCN)N.Cl.Cl,"InChI=1S/C6H18N4.2ClH/c7-1-3-9-5-6-10-4-2-8;;/h9-10H,1-8H2;2*1H",WYHIICXRPHEJKI-UHFFFAOYSA-N,C6H20Cl2N4,219.15,218.106502,,76.1,49,0,6,4,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIETHANOLAMINE PHOSPHATE,010017-56-8,61430,2-[bis(2-hydroxyethyl)amino]ethanol;phosphoric acid,C(CO)N(CCO)CCO.OP(=O)(O)O,"InChI=1S/C6H15NO3.H3O4P/c8-4-1-7(2-5-9)3-6-10;1-5(2,3)4/h8-10H,1-6H2;(H3,1,2,3,4)",NHFDKKSSQWCEES-UHFFFAOYSA-N,C6H18NO7P,247.18,247.0820889,,142,106,0,6,8,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-OCTYL-N-N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE,015178-76-4,3084219,3-[dimethyl(octyl)azaniumyl]propane-1-sulfonate,CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-],"InChI=1S/C13H29NO3S/c1-4-5-6-7-8-9-11-14(2,3)12-10-13-18(15,16)17/h4-13H2,1-3H3",QZRAABPTWGFNIU-UHFFFAOYSA-N,C13H29NO3S,279.44,279.186815,2.9,65.6,281,0,0,3,10,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
A-Keto-Gamma-Methiolbutyric Acid Sodium Salt,051828-97-8,23696623,sodium 4-methylsulfanyl-2-oxobutanoate,CSCCC(=O)C(=O)[O-].[Na+],"InChI=1S/C5H8O3S.Na/c1-9-3-2-4(6)5(7)8;/h2-3H2,1H3,(H,7,8);/q;+1/p-1",IFSCKRWNXKWTLR-UHFFFAOYSA-M,C5H7NaO3S,170.16,170.0013595,,82.5,126,0,0,4,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Tetrapentylammonium Bromide,000866-97-7,70086,tetrapentylazanium bromide,CCCCC[N+](CCCCC)(CCCCC)CCCCC.[Br-],"InChI=1S/C20H44N.BrH/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1",SPALIFXDWQTXKS-UHFFFAOYSA-M,C20H44BrN,378.5,377.26571,,0,155,0,0,1,16,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Tetrakis (Tris(Dimethylamino) Phosphoranylideneamino) Phosphonium CL,122951-89-7,10908885,tris(dimethylamino)-[[tris[[tris(dimethylamino)-lambda5-phosphanylidene]amino]-lambda5-phosphanylidene]amino]phosphanium chloride,CN(C)P(=NP(=N[P+](N(C)C)(N(C)C)N(C)C)(N=P(N(C)C)(N(C)C)N(C)C)N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.[Cl-],"InChI=1S/C24H72N16P5.ClH/c1-29(2)42(30(3)4,31(5)6)25-41(26-43(32(7)8,33(9)10)34(11)12,27-44(35(13)14,36(15)16)37(17)18)28-45(38(19)20,39(21)22)40(23)24;/h1-24H3;1H/q+1;/p-1",NYTYWTQXLWNFFQ-UHFFFAOYSA-M,C24H72ClN16P5,775.3,774.450249,,88.3,880,0,0,17,16,46,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,11-UNDECANEDITHIOL",063476-06-2,12351200,"undecane-1,11-dithiol",C(CCCCCS)CCCCCS,"InChI=1S/C11H24S2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2",ODMTYGIDMVZUER-UHFFFAOYSA-N,C11H24S2,220.4,220.1319431,4.9,2,74,0,2,2,10,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
INDIUM(III) PHOSPHATE,014693-82-4,9815692,indium(3+) phosphate,[O-]P(=O)([O-])[O-].[In+3],"InChI=1S/In.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3",UJXZVRRCKFUQKG-UHFFFAOYSA-K,InO4P,209.79,209.8572992,,86.3,36,0,0,4,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GADOLINIUM(III) BROMIDE HYDRATE,30010-20-9,16212942,tribromogadolinium;hydrate,O.Br[Gd](Br)Br,InChI=1S/3BrH.Gd.H2O/h3*1H;;1H2/q;;;+3;/p-3,KDHUBKIJZYSANI-UHFFFAOYSA-K,Br3GdH2O,414.98,414.68764,,1,8,0,1,1,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-CYSTATHIONINE,000056-88-2,439258,(2S)-2-amino-4-[(2R)-2-amino-2-carboxyethyl]sulfanylbutanoic acid,C(CSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N,"InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1",ILRYLPWNYFXEMH-WHFBIAKZSA-N,C7H14N2O4S,222.26,222.0674281,-6,152,212,0,4,7,7,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AZIDOTRIS(DIETHYLAMINO)PHOSPHONIUM BROMIDE,130888-29-8,11728342,[[diazonioimino-bis(diethylamino)-lambda5-phosphanyl]-ethylamino]ethane bromide,CCN(CC)P(=N[N+]#N)(N(CC)CC)N(CC)CC.[Br-],"InChI=1S/C12H30N6P.BrH/c1-7-16(8-2)19(15-14-13,17(9-3)10-4)18(11-5)12-6;/h7-12H2,1-6H3;1H/q+1;/p-1",KWTHIBBMTIHXRV-UHFFFAOYSA-M,C12H30BrN6P,369.29,368.14529,,50.2,297,0,0,6,9,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-ACETYLCYSTEAMINE,001190-73-4,14484,N-(2-sulfanylethyl)acetamide,CC(=O)NCCS,"InChI=1S/C4H9NOS/c1-4(6)5-2-3-7/h7H,2-3H2,1H3,(H,5,6)",AXFZADXWLMXITO-UHFFFAOYSA-N,C4H9NOS,119.19,119.0404851,-0.2,30.1,64,0,2,2,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-ISOPROPYLMETHACRYLAMIDE,013749-61-6,83698,2-methyl-N-propan-2-ylprop-2-enamide,CC(C)NC(=O)C(=C)C,"InChI=1S/C7H13NO/c1-5(2)7(9)8-6(3)4/h6H,1H2,2-4H3,(H,8,9)",YQIGLEFUZMIVHU-UHFFFAOYSA-N,C7H13NO,127.18,127.099714,1.3,29.1,127,0,1,1,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ZINC CARBONATE,005263-02-5,11955398,pentazinc;dicarbonate;hexahydroxide,C(=O)([O-])[O-].C(=O)([O-])[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2],"InChI=1S/2CH2O3.6H2O.5Zn/c2*2-1(3)4;;;;;;;;;;;/h2*(H2,2,3,4);6*1H2;;;;;/q;;;;;;;;5*+2/p-10",UOURRHZRLGCVDA-UHFFFAOYSA-D,C2H6O12Zn5,549,547.62423,,132,18,0,6,12,0,19,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
2-AMINO-4-PENTYNOIC ACID,064165-64-6,95575,2-aminopent-4-ynoic acid,C#CCC(C(=O)O)N,"InChI=1S/C5H7NO2/c1-2-3-4(6)5(7)8/h1,4H,3,6H2,(H,7,8)",DGYHPLMPMRKMPD-UHFFFAOYSA-N,C5H7NO2,113.11,113.0476785,-2.8,63.3,133,0,2,3,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIMETHYL L-2-AMINOGLUTARATE HYDROCHLORIDE,023150-65-4,12917568,dimethyl (2S)-2-aminopentanedioate;hydrochloride,COC(=O)CC[C@@H](C(=O)OC)N.Cl,"InChI=1S/C7H13NO4.ClH/c1-11-6(9)4-3-5(8)7(10)12-2;/h5H,3-4,8H2,1-2H3;1H/t5-;/m0./s1",MFUPLHQOVIUESQ-JEDNCBNOSA-N,C7H14ClNO4,211.64,211.0611356,,78.6,169,0,2,5,6,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PERFLUORO-1,4-DIBROMOBUTANE",000335-48-8,2736783,"1,4-dibromo-1,1,2,2,3,3,4,4-octafluorobutane",C(C(C(F)(F)Br)(F)F)(C(F)(F)Br)(F)F,"InChI=1S/C4Br2F8/c5-3(11,12)1(7,8)2(9,10)4(6,13)14",RWWUGYJWSVESJC-UHFFFAOYSA-N,C4Br2F8,359.84,359.82185,4.6,0,199,0,0,8,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
INDIUM(II) CHLORIDE,013465-11-7,25021788,,[Cl-].[Cl-].[In],InChI=1S/2ClH.In/h2*1H;/p-2,SWHBYTRRQUSARN-UHFFFAOYSA-L,Cl2In-2,185.72,184.8415842,,0,0,-2,0,2,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL 3-BROMO-2-(BROMOMETHYL)PROPIONATE,022262-60-8,140895,methyl 3-bromo-2-(bromomethyl)propanoate,COC(=O)C(CBr)CBr,"InChI=1S/C5H8Br2O2/c1-9-5(8)4(2-6)3-7/h4H,2-3H2,1H3",USXVPPOARMSYGY-UHFFFAOYSA-N,C5H8Br2O2,259.92,259.88706,1.6,26.3,91,0,0,2,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DICHLOROTETRAKIS(METHYLSULFOXIDE)RUTHENIUM,011070-19-2,150194,dichlororuthenium;methylsulfinylmethane,CS(=O)C.CS(=O)C.CS(=O)C.CS(=O)C.Cl[Ru]Cl,InChI=1S/4C2H6OS.2ClH.Ru/c4*1-4(2)3;;;/h4*1-2H3;2*1H;/q;;;;;;+2/p-2,UMJDEUKQHKMAOI-UHFFFAOYSA-L,C8H24Cl2O4RuS4,484.5,483.89779,,145,31,0,0,8,0,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-METHYL-2,4-PENTANE-D12-DIOL",284474-72-2,71309223,"1,1,1,2,3,3,5,5,5-nonadeuterio-4-(trideuteriomethyl)pentane-2,4-diol",[2H]C([2H])([2H])C([2H])(C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])O)O,"InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/i1D3,2D3,3D3,4D2,5D",SVTBMSDMJJWYQN-WWKUACGSSA-N,C6H14O2,130.25,130.1747006,0.3,40.5,68,0,2,2,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-BUTENE-1,2,3-TRICARBOXYLIC ACID",026326-05-6,592363,"but-3-ene-1,2,3-tricarboxylic acid",C=C(C(CC(=O)O)C(=O)O)C(=O)O,"InChI=1S/C7H8O6/c1-3(6(10)11)4(7(12)13)2-5(8)9/h4H,1-2H2,(H,8,9)(H,10,11)(H,12,13)",WOZHZOLFFPSEAM-UHFFFAOYSA-N,C7H8O6,188.13,188.032088,-0.6,112,266,0,3,6,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DIETHYL ALLYLPHOSPHONATE,001067-87-4,573014,3-diethoxyphosphorylprop-1-ene,CCOP(=O)(CC=C)OCC,"InChI=1S/C7H15O3P/c1-4-7-11(8,9-5-2)10-6-3/h4H,1,5-7H2,2-3H3",YPJHXRAHMUKXAE-UHFFFAOYSA-N,C7H15O3P,178.17,178.0758813,0.8,35.5,146,0,0,3,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRANS-1-OCTEN-1-YLBORONIC ACID,042599-16-6,5708391,[(E)-oct-1-enyl]boronic acid,B(/C=C/CCCCCC)(O)O,"InChI=1S/C8H17BO2/c1-2-3-4-5-6-7-8-9(10)11/h7-8,10-11H,2-6H2,1H3/b8-7+",RBTAJLKAPFBZDQ-BQYQJAHWSA-N,C8H17BO2,156.03,156.1321599,,40.5,102,0,2,2,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ZIRCONIUM CARBOXYETHYL ACRYLATE,123633-53-4,71310591,tetrakis(3-prop-2-enoyloxypropanoic acid);zirconium,C=CC(=O)OCCC(=O)O.C=CC(=O)OCCC(=O)O.C=CC(=O)OCCC(=O)O.C=CC(=O)OCCC(=O)O.[Zr],"InChI=1S/4C6H8O4.Zr/c4*1-2-6(9)10-4-3-5(7)8;/h4*2H,1,3-4H2,(H,7,8);",VXCWFNCPUBWGJG-UHFFFAOYSA-N,C24H32O16Zr,667.7,666.073734,,254,750,0,4,16,20,41,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CALCIUM BIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATE)",118448-18-3,6917035,"calcium bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)",CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.[Ca+2],"InChI=1S/2C11H20O2.Ca/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*7,12H,1-6H3;/q;;+2/p-2/b2*8-7-;",DOOFPPIHJGRIGW-ATMONBRVSA-L,C22H38CaO4,406.6,406.2396005,,80.3,199,0,0,4,6,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GADOLINIUM(III) SULFATE OCTAHYDRATE,013450-87-8,140963448,gadolinium;sulfuric acid;hydrate,O.OS(=O)(=O)O.[Gd],"InChI=1S/Gd.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2",ILMKCDPGFMHBCB-UHFFFAOYSA-N,GdH4O5S,273.35,273.90206,,84,81,0,3,5,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TRIS(2,2,2-TRIFLUOROETHYL) PHOSPHITE",000370-69-4,136203,"tris(2,2,2-trifluoroethyl) phosphite",C(C(F)(F)F)OP(OCC(F)(F)F)OCC(F)(F)F,"InChI=1S/C6H6F9O3P/c7-4(8,9)1-16-19(17-2-5(10,11)12)18-3-6(13,14)15/h1-3H2",CBIQXUBDNNXYJM-UHFFFAOYSA-N,C6H6F9O3P,328.07,327.9910845,3.4,27.7,217,0,0,12,6,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FLUORINATED TRIETHYLENE GLYCOL MONOMETHYL ETHER,147492-57-7,2778161,"2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethanol",C(C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C7H3F13O4/c8-2(9,1-21)22-3(10,11)4(12,13)23-5(14,15)6(16,17)24-7(18,19)20/h21H,1H2",PGUFRYZQAPBGDW-UHFFFAOYSA-N,C7H3F13O4,398.07,397.9823747,4.2,47.9,431,0,1,17,8,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIISOPROPYLSILANETHIOL,156275-96-6,3435097,tri(propan-2-yl)-sulfanylsilane,CC(C)[Si](C(C)C)(C(C)C)S,"InChI=1S/C9H22SSi/c1-7(2)11(10,8(3)4)9(5)6/h7-10H,1-6H3",CPKHFNMJTBLKLK-UHFFFAOYSA-N,C9H22SSi,190.42,190.1211484,,1,97,0,1,1,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-HYDROXYPENTANAL,004221-03-8,20205,5-hydroxypentanal,C(CCO)CC=O,"InChI=1S/C5H10O2/c6-4-2-1-3-5-7/h4,7H,1-3,5H2",CNRGMQRNYAIBTN-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,-0.3,37.3,43,0,1,2,4,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
11-AZIDOUNDECYLTRIMETHOXYSILANE,334521-23-2,46779110,11-azidoundecyl(trimethoxy)silane,CO[Si](CCCCCCCCCCCN=[N+]=[N-])(OC)OC,"InChI=1S/C14H31N3O3Si/c1-18-21(19-2,20-3)14-12-10-8-6-4-5-7-9-11-13-16-17-15/h4-14H2,1-3H3",ACSJXAKDVNDMME-UHFFFAOYSA-N,C14H31N3O3Si,317.5,317.2134684,,42.1,274,0,0,5,15,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GADOLINIUM(III) TRIFLUOROMETHANESULFONATE,052093-29-5,11114694,gadolinium(3+);tris(trifluoromethanesulfonate),C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Gd+3],"InChI=1S/3CHF3O3S.Gd/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3",DYOBTPTUHDTANY-UHFFFAOYSA-K,C3F9GdO9S3,604.5,604.78018,,197,145,0,0,18,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,9-BIS(2-(2-METHOXYETHOXY)ETHOXY)-2,5,8-TRIOXA-9-SILADODECAN-12-AMINE",087994-64-7,3616943,3-[tris[2-(2-methoxyethoxy)ethoxy]silyl]propan-1-amine,COCCOCCO[Si](CCCN)(OCCOCCOC)OCCOCCOC,"InChI=1S/C18H41NO9Si/c1-20-6-9-23-12-15-26-29(18-4-5-19,27-16-13-24-10-7-21-2)28-17-14-25-11-8-22-3/h4-19H2,1-3H3",PJURIXUDYDHOMA-UHFFFAOYSA-N,C18H41NO9Si,443.6,443.2550584,,109,289,0,1,10,24,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DYSPROSIUM(III) TRIFLUOROMETHANESULFONATE,139177-62-1,9938788,dysprosium(3+);tris(trifluoromethanesulfonate),C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Dy+3],"InChI=1S/3CHF3O3S.Dy/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3",XSVCYDUEICANRJ-UHFFFAOYSA-K,C3DyF9O9S3,609.7,610.785254,,197,145,0,0,18,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ERBIUM(III) TRIFLUOROMETHANESULFONATE,139177-64-3,16212761,erbium;trifluoromethanesulfonic acid,C(F)(F)(F)S(=O)(=O)O.[Er],"InChI=1S/CHF3O3S.Er/c2-1(3,4)8(5,6)7;/h(H,5,6,7);",FECRNHPJGAZUKO-UHFFFAOYSA-N,CHErF3O3S,317.34,315.890151,,62.8,158,0,1,6,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
THULIUM(III) TRIFLUOROMETHANESULFONATE,141478-68-4,2733936,thulium(3+);tris(trifluoromethanesulfonate),C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Tm+3],"InChI=1S/3CHF3O3S.Tm/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3",PBASUZORNBYVFM-UHFFFAOYSA-K,C3F9O9S3Tm,616.1,615.790293,,197,145,0,0,18,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TERT-BUTYL (2-(2-(2-BROMOETHOXY)ETHOXY)ETHYL)CARBAMATE,165963-71-3,22471886,tert-butyl N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]carbamate,CC(C)(C)OC(=O)NCCOCCOCCBr,"InChI=1S/C11H22BrNO4/c1-11(2,3)17-10(14)13-5-7-16-9-8-15-6-4-12/h4-9H2,1-3H3,(H,13,14)",WGWDCMKAMHBDPO-UHFFFAOYSA-N,C11H22BrNO4,312.2,311.07322,1.4,56.8,206,0,1,4,10,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TERT-BUTYL N-(6-HYDROXYHEXYL)CARBAMATE,075937-12-1,4146612,tert-butyl N-(6-hydroxyhexyl)carbamate,CC(C)(C)OC(=O)NCCCCCCO,"InChI=1S/C11H23NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9-13/h13H,4-9H2,1-3H3,(H,12,14)",BDLPJHZUTLGFON-UHFFFAOYSA-N,C11H23NO3,217.31,217.1677936,1.7,58.6,175,0,2,3,8,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2-DIFLUOROPROPANE-1,3-DIOL",000428-63-7,95744,"2,2-difluoropropane-1,3-diol",C(C(CO)(F)F)O,"InChI=1S/C3H6F2O2/c4-3(5,1-6)2-7/h6-7H,1-2H2",AMCKYDINHDOOCB-UHFFFAOYSA-N,C3H6F2O2,112.08,112.0335858,-0.5,40.5,48,0,2,4,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-[2-(DIOCTYLAMINO)-2-OXOETHOXY]ACETIC ACID,135447-09-5,4534750,2-[2-(dioctylamino)-2-oxoethoxy]acetic acid,CCCCCCCCN(CCCCCCCC)C(=O)COCC(=O)O,"InChI=1S/C20H39NO4/c1-3-5-7-9-11-13-15-21(16-14-12-10-8-6-4-2)19(22)17-25-18-20(23)24/h3-18H2,1-2H3,(H,23,24)",KOHUSHSNNOEPFN-UHFFFAOYSA-N,C20H39NO4,357.5,357.2879087,6,66.8,318,0,1,4,18,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
H-BETA-ALA-OTBU.HCL(BETA-ALANINE TERT-BUTYL ESTER HCL),058620-93-2,16218890,tert-butyl 3-aminopropanoate;hydrochloride,CC(C)(C)OC(=O)CCN.Cl,"InChI=1S/C7H15NO2.ClH/c1-7(2,3)10-6(9)4-5-8;/h4-5,8H2,1-3H3;1H",DOMTZTVJNZKUNX-UHFFFAOYSA-N,C7H16ClNO2,181.66,181.0869564,,52.3,115,0,2,3,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TERT-BUTYL (2-MERCAPTOETHYL)CARBAMATE(2-(BOC-AMINO)ETHANETHIOL),067385-09-5,3017761,tert-butyl N-(2-sulfanylethyl)carbamate,CC(C)(C)OC(=O)NCCS,"InChI=1S/C7H15NO2S/c1-7(2,3)10-6(9)8-4-5-11/h11H,4-5H2,1-3H3,(H,8,9)",GSJJCZSHYJNRPN-UHFFFAOYSA-N,C7H15NO2S,177.27,177.0823499,1.2,39.3,131,0,2,3,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM TETRATHIONATE DIHYDRATE,013721-29-4,16218438,,O.OS(=O)(=O)SSS(=O)(=O)O.[Na],"InChI=1S/Na.H2O6S4.H2O/c;1-9(2,3)7-8-10(4,5)6;/h;(H,1,2,3)(H,4,5,6);1H2",VUNPLPZHLRVFOI-UHFFFAOYSA-N,H4NaO7S4,267.3,266.8737564,,177,235,0,3,9,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-(METHYLSULPHONYL)ACETONE,005000-46-4,78695,1-methylsulfonylpropan-2-one,CC(=O)CS(=O)(=O)C,"InChI=1S/C4H8O3S/c1-4(5)3-8(2,6)7/h3H2,1-2H3",NWEYGXQKFVGUFR-UHFFFAOYSA-N,C4H8O3S,136.17,136.0194153,-0.6,59.6,172,0,0,3,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAMETHYLAMMONIUM HYDROGEN SULFATE MONOHYDRATE,207738-07-6,16212300,hydrogen sulfate;tetramethylazanium;hydrate,C[N+](C)(C)C.O.OS(=O)(=O)[O-],"InChI=1S/C4H12N.H2O4S.H2O/c2*1-5(2,3)4;/h1-4H3;(H2,1,2,3,4);1H2/q+1;;/p-1",VSJXNAHOWBCQRE-UHFFFAOYSA-M,C4H15NO5S,189.23,189.0670938,,86.8,95,0,2,5,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-HEPTADECAFLUORODECYL ESTER",027905-45-9,119747,"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl prop-2-enoate",C=CC(=O)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C13H7F17O2/c1-2-5(31)32-4-3-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h2H,1,3-4H2",QUKRIOLKOHUUBM-UHFFFAOYSA-N,C13H7F17O2,518.17,518.0174582,6.9,26.3,706,0,0,19,11,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
10-AMINODECANOIC ACID,013108-19-5,83150,10-aminodecanoic acid,C(CCCCC(=O)O)CCCCN,"InChI=1S/C10H21NO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-9,11H2,(H,12,13)",XAUQWYHSQICPAZ-UHFFFAOYSA-N,C10H21NO2,187.28,187.1572289,-1.6,63.3,126,0,2,3,9,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
YTTERBIUM(III) TRIFLATE HYDRATE,252976-51-5,45075687,tris(trifluoromethanesulfonate);ytterbium(3+);hydrate,C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].O.[Yb+3],"InChI=1S/3CHF3O3S.H2O.Yb/c3*2-1(3,4)8(5,6)7;;/h3*(H,5,6,7);1H2;/q;;;;+3/p-3",BUJKNFNMGRYZBV-UHFFFAOYSA-K,C3H2F9O10S3Yb,638.3,638.8055058,,198,145,0,1,19,0,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEXANOIC ACID, 2-METHYLPROPYL ESTER",000105-79-3,7775,2-methylpropyl hexanoate,CCCCCC(=O)OCC(C)C,"InChI=1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3",UXUPPWPIGVTVQI-UHFFFAOYSA-N,C10H20O2,172.26,172.1463299,3.4,26.3,119,0,0,2,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-Pentanol, 2-ethyl-4-methyl-",000106-67-2,7821,2-ethyl-4-methylpentan-1-ol,CCC(CC(C)C)CO,"InChI=1S/C8H18O/c1-4-8(6-9)5-7(2)3/h7-9H,4-6H2,1-3H3",QCHSJPKDWOFACC-UHFFFAOYSA-N,C8H18O,130.23,130.1357652,2.4,20.2,59,0,1,1,4,9,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, ALUMINUM SALT",000139-12-8,8757,aluminum triacetate,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Al+3],"InChI=1S/3C2H4O2.Al/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",WCOATMADISNSBV-UHFFFAOYSA-K,C6H9AlO6,204.11,204.0214514,,120,25,0,0,6,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-UNDECANOL, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-EICOSAFLUORO-",000307-70-0,67548,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecan-1-ol",C(C(C(C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C11H4F20O/c12-2(13)4(16,17)6(20,21)8(24,25)10(28,29)11(30,31)9(26,27)7(22,23)5(18,19)3(14,15)1-32/h2,32H,1H2",GJYLSFCFHFUODO-UHFFFAOYSA-N,C11H4F20O,532.12,531.994278,6.4,20.2,677,0,1,21,10,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,1,2-TRIFLUORO-1-BROMO-2-CHLOROETHANE/HALON 1301",000354-06-3,9628,"1-bromo-2-chloro-1,1,2-trifluoroethane",C(C(F)(F)Br)(F)Cl,"InChI=1S/C2HBrClF3/c3-2(6,7)1(4)5/h1H",KFTODZKBBUMDQB-UHFFFAOYSA-N,C2HBrClF3,197.38,195.89022,2.9,0,66,0,0,3,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANAMIDE, 2,2,3,3,3-PENTAFLUORO-",000354-76-7,67722,"2,2,3,3,3-pentafluoropropanamide",C(=O)(C(C(F)(F)F)(F)F)N,"InChI=1S/C3H2F5NO/c4-2(5,1(9)10)3(6,7)8/h(H2,9,10)",KQTOYEUYHXUEDB-UHFFFAOYSA-N,C3H2F5NO,163.05,163.0056545,0.9,43.1,149,0,1,6,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANOIC ACID, HEPTAFLUORO-, METHYL ESTER",000356-24-1,67741,"methyl 2,2,3,3,4,4,4-heptafluorobutanoate",COC(=O)C(C(C(F)(F)F)(F)F)(F)F,"InChI=1S/C5H3F7O2/c1-14-2(13)3(6,7)4(8,9)5(10,11)12/h1H3",MRPUVAKBXDBGJQ-UHFFFAOYSA-N,C5H3F7O2,228.06,228.0021265,2.6,26.3,231,0,0,9,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CARBAMIC ACID, METHYL ESTER",000598-55-0,11722,methyl carbamate,COC(=O)N,"InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)",GTCAXTIRRLKXRU-UHFFFAOYSA-N,C2H5NO2,75.07,75.0320284,-0.7,52.3,42,0,1,2,1,5,,"351 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CARBAMIC ACID, ETHYL-, ETHYL ESTER",000623-78-9,12195,ethyl N-ethylcarbamate,CCNC(=O)OCC,"InChI=1S/C5H11NO2/c1-3-6-5(7)8-4-2/h3-4H2,1-2H3,(H,6,7)",GZXSDYYWLZERLF-UHFFFAOYSA-N,C5H11NO2,117.15,117.0789786,0.7,38.3,72,0,1,2,3,8,,176 °C AT 760 MM HG,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OCTANOIC ACID, PROPYL ESTER",000624-13-5,69351,propyl octanoate,CCCCCCCC(=O)OCCC,"InChI=1S/C11H22O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h3-10H2,1-2H3",IDHBLVYDNJDWNO-UHFFFAOYSA-N,C11H22O2,186.29,186.1619799,4,26.3,121,0,0,2,9,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OCTANE, 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-HEXADECAFLUORO-8-IODO-2-(TRIFLUOROMETH",000865-77-0,70082,"1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-iodo-2-(trifluoromethyl)octane",C(C(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F,"InChI=1S/C9F19I/c10-1(7(21,22)23,8(24,25)26)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)9(27,28)29",VRJGWRPPKVEMMR-UHFFFAOYSA-N,C9F19I,595.97,595.87413,7.5,0,594,0,0,19,6,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,6,9,12-TETRAAZATETRADECANEDIOIC ACID, 3,6,9,12-TETRAKIS(CARBOXYMETHYL)-",000869-52-3,70088,2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid,C(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O,"InChI=1S/C18H30N4O12/c23-13(24)7-19(3-5-21(9-15(27)28)10-16(29)30)1-2-20(8-14(25)26)4-6-22(11-17(31)32)12-18(33)34/h1-12H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)",RAEOEMDZDMCHJA-UHFFFAOYSA-N,C18H30N4O12,494.5,494.1860224,-11.2,237,640,0,6,16,21,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANAMIDE, 4-HYDROXY-",000927-60-6,13562,4-hydroxybutanamide,C(CC(=O)N)CO,"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)",LOESDOAIWSCMKM-UHFFFAOYSA-N,C4H9NO2,103.12,103.0633285,-1.3,63.3,62,0,2,2,3,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPEN-1-AMINIUM, N,N,N-TRIMETHYL-, CHLORIDE",001516-27-4,15198,trimethyl(prop-2-enyl)azanium chloride,C[N+](C)(C)CC=C.[Cl-],"InChI=1S/C6H14N.ClH/c1-5-6-7(2,3)4;/h5H,1,6H2,2-4H3;1H/q+1;/p-1",TZYULTYGSBAILI-UHFFFAOYSA-M,C6H14ClN,135.63,135.0814771,,0,59,0,0,1,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BORON, TRICHLORO(N,N-DIMETHYLMETHANAMINE)-, (T-4)-",001516-55-8,21598419,trichloro-(trimethylazaniumyl)boranuide,[B-]([N+](C)(C)C)(Cl)(Cl)Cl,"InChI=1S/C3H9BCl3N/c1-8(2,3)4(5,6)7/h1-3H3",RIXNIMBZVVYKLE-UHFFFAOYSA-N,C3H9BCl3N,176.3,174.989363,,0,81,0,0,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-HEPTADIEN-2-ONE, 6-METHYL-",001604-28-0,5370101,"(3E)-6-methylhepta-3,5-dien-2-one",CC(=C/C=C/C(=O)C)C,"InChI=1S/C8H12O/c1-7(2)5-4-6-8(3)9/h4-6H,1-3H3/b6-4+",KSKXSFZGARKWOW-GQCTYLIASA-N,C8H12O,124.18,124.088815,2,17.1,148,0,0,1,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"ACETIC ACID, CHLORODIFLUORO-, SODIUM SALT",001895-39-2,2734985,"sodium 2-chloro-2,2-difluoroacetate",C(=O)(C(F)(F)Cl)[O-].[Na+],"InChI=1S/C2HClF2O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1",MRTAVLDNYYEJHK-UHFFFAOYSA-M,C2ClF2NaO2,152.46,151.9452575,,40.1,96,0,0,4,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANESULFONOTHIOIC ACID, SODIUM SALT",001950-85-2,23688755,sodium methyl-oxido-oxo-sulfanylidene-lambda6-sulfane,CS(=O)(=S)[O-].[Na+],"InChI=1S/CH4O2S2.Na/c1-5(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1",JFTZUZWJGUCSTE-UHFFFAOYSA-M,CH3NaO2S2,134.16,133.947216,,80.6,113,0,0,3,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Sulfoximine, S-(3-amino-3-carboxypropyl)-S-methyl-, DL-",001982-67-8,16118,2-amino-4-(methylsulfonimidoyl)butanoic acid,CS(=N)(=O)CCC(C(=O)O)N,"InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)",SXTAYKAGBXMACB-UHFFFAOYSA-N,C5H12N2O3S,180.23,180.0568634,-1.8,113,244,0,3,5,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-PENTANEDIONE, DIOXIME",002157-56-4,94762,N-(4-hydroxyiminopentan-2-ylidene)hydroxylamine,CC(=NO)CC(=NO)C,"InChI=1S/C5H10N2O2/c1-4(6-8)3-5(2)7-9/h8-9H,3H2,1-2H3",WBRYLZHYOFBTPD-UHFFFAOYSA-N,C5H10N2O2,130.15,130.0742276,0.3,65.2,124,0,2,4,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"ETHANAMINIUM, N,N,N-TRIMETHYL-2-(1-OXOBUTOXY)-, IODIDE",002494-56-6,17232,2-butanoyloxyethyl(trimethyl)azanium iodide,CCCC(=O)OCC[N+](C)(C)C.[I-],"InChI=1S/C9H20NO2.HI/c1-5-6-9(11)12-8-7-10(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1",GALNBQVDMJRFGJ-UHFFFAOYSA-M,C9H20INO2,301.17,301.05388,,26.3,138,0,0,3,6,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANOIC ACID, 4-(DIMETHYLAMINO)-4-OXO-",002564-95-6,75717,4-(dimethylamino)-4-oxobutanoic acid,CN(C)C(=O)CCC(=O)O,"InChI=1S/C6H11NO3/c1-7(2)5(8)3-4-6(9)10/h3-4H2,1-2H3,(H,9,10)",WAIGPJMZARQZDX-UHFFFAOYSA-N,C6H11NO3,145.16,145.0738932,-0.8,57.6,142,0,1,3,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"STANNANE, CHLOROTRIOCTYL-",002587-76-0,75757,chloro(trioctyl)stannane,CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)Cl,"InChI=1S/3C8H17.ClH.Sn/c3*1-3-5-7-8-6-4-2;;/h3*1,3-8H2,2H3;1H;/q;;;;+1/p-1",MCNGJXAXOJDJKO-UHFFFAOYSA-M,C24H51ClSn,493.8,494.270132,,0,226,0,0,0,21,26,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PROPANAMINIUM, N-(2-HYDROXYETHYL)-N,N-DIMETHYL-3-[(1-OXOOCTADECYL)AMINO]-, N",002764-13-8,62463,2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium nitrate,CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO.[N+](=O)([O-])[O-],"InChI=1S/C25H52N2O2.NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(29)26-21-19-22-27(2,3)23-24-28;2-1(3)4/h28H,4-24H2,1-3H3;/q;-1/p+1",HNWNELAGDBSCDG-UHFFFAOYSA-O,C25H53N3O5,475.7,475.3985218,,112,377,0,2,5,22,33,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"DODECANAMIDE, N,N-DIMETHYL-",003007-53-2,18159,"N,N-dimethyldodecanamide",CCCCCCCCCCCC(=O)N(C)C,"InChI=1S/C14H29NO/c1-4-5-6-7-8-9-10-11-12-13-14(16)15(2)3/h4-13H2,1-3H3",BDYUSDIJIDGWCY-UHFFFAOYSA-N,C14H29NO,227.39,227.2249145,4.1,20.3,166,0,0,1,10,16,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DECADIENOIC ACID, ETHYL ESTER, (E,Z)-",003025-30-7,5281162,"ethyl (2E,4Z)-deca-2,4-dienoate",CCCCC/C=C\C=C\C(=O)OCC,"InChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-11H,3-7H2,1-2H3/b9-8-,11-10+",OPCRGEVPIBLWAY-QNRZBPGKSA-N,C12H20O2,196.29,196.1463299,4,26.3,192,0,0,2,8,14,,70.00 to 72.00 °C. @ 0.05 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"Butyric acid, 4-acetamido-",003025-96-5,18189,4-acetamidobutanoic acid,CC(=O)NCCCC(=O)O,"InChI=1S/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)",UZTFMUBKZQVKLK-UHFFFAOYSA-N,C6H11NO3,145.16,145.0738932,-0.6,66.4,133,0,2,3,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANE, 1,1,1,2,2,3,3-HEPTAFLUORO-3-(1,2,2,2-TETRAFLUOROETHOXY)-",003330-15-2,94258,"1,1,1,2,2,3,3-heptafluoro-3-(1,2,2,2-tetrafluoroethoxy)propane",C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F,"InChI=1S/C5HF11O/c6-1(2(7,8)9)17-5(15,16)3(10,11)4(12,13)14/h1H",CUTPKDUMZWIJKT-UHFFFAOYSA-N,C5HF11O,286.04,285.9851744,4.3,9.2,262,0,0,12,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEXANE, 1,1,1,2,3,3,4,4,5,5,6,6-DODECAFLUORO-6-IODO-2-(TRIFLUOROMETHYL)-",003486-08-6,77036,"1,1,1,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodo-2-(trifluoromethyl)hexane",C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F,"InChI=1S/C7F15I/c8-1(5(15,16)17,6(18,19)20)2(9,10)3(11,12)4(13,14)7(21,22)23",OUFXTVSYOAPUKM-UHFFFAOYSA-N,C7F15I,495.95,495.88052,6.1,0,428,0,0,15,4,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, SCANDIUM(3+) SALT",003804-23-7,160721,scandium(3+) triacetate,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Sc+3],"InChI=1S/3C2H4O2.Sc/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",DBTMQFKUVICLQN-UHFFFAOYSA-K,C6H9O6Sc,222.09,221.99582,,120,25,0,0,6,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEXADECANE, 1-CHLORO-",004860-03-1,20993,1-chlorohexadecane,CCCCCCCCCCCCCCCCCl,"InChI=1S/C16H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3",CLWAXFZCVYJLLM-UHFFFAOYSA-N,C16H33Cl,260.9,260.2270787,9,0,123,0,0,0,14,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N,N-TRIMETHYL-2-[(2-METHYL-1-OXO-2-PROPENYL)OXY]ETHANAMINIUM CHLORIDE",005039-78-1,78738,trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride,CC(=C)C(=O)OCC[N+](C)(C)C.[Cl-],"InChI=1S/C9H18NO2.ClH/c1-8(2)9(11)12-7-6-10(3,4)5;/h1,6-7H2,2-5H3;1H/q+1;/p-1",RRHXZLALVWBDKH-UHFFFAOYSA-M,C9H18ClNO2,207.7,207.1026065,,26.3,179,0,0,3,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"OCTANOIC ACID, 2-BROMO-, METHYL ESTER",005445-22-7,95579,methyl 2-bromooctanoate,CCCCCCC(C(=O)OC)Br,"InChI=1S/C9H17BrO2/c1-3-4-5-6-7-8(10)9(11)12-2/h8H,3-7H2,1-2H3",RCMQQTUVWBXJQS-UHFFFAOYSA-N,C9H17BrO2,237.13,236.04119,3.8,26.3,126,0,0,2,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"D-GLUCARIC ACID, CALCIUM SALT (1:1)",005793-88-4,154911,"calcium (2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate",[C@H]([C@@H]([C@@H](C(=O)[O-])O)O)([C@H](C(=O)[O-])O)O.[Ca+2],"InChI=1S/C6H10O8.Ca/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h1-4,7-10H,(H,11,12)(H,13,14);/q;+2/p-2/t1-,2-,3-,4+;/m0./s1",UGZVNIRNPPEDHM-SBBOJQDXSA-L,C6H8CaO8,248.2,247.9845081,,161,191,0,4,8,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-DODECANAMINIUM, N-(2-HYDROXYETHYL)-N,N-DIMETHYL-, BROMIDE",007009-61-2,81486,dodecyl-(2-hydroxyethyl)-dimethylazanium bromide,CCCCCCCCCCCC[N+](C)(C)CCO.[Br-],"InChI=1S/C16H36NO.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16-18;/h18H,4-16H2,1-3H3;1H/q+1;/p-1",QBQLPWLODYZCLE-UHFFFAOYSA-M,C16H36BrNO,338.37,337.19803,,20.2,168,0,1,2,13,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-DECENOIC ACID, ETHYL ESTER, (E)-",007367-88-6,5463904,ethyl (E)-dec-2-enoate,CCCCCCC/C=C/C(=O)OCC,"InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h10-11H,3-9H2,1-2H3/b11-10+",GNJARWZWODMTDR-ZHACJKMWSA-N,C12H22O2,198.3,198.1619799,4.4,26.3,162,0,0,2,9,14,,133.00 to 135.00 °C. @ 20.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6-OCTEN-1-OL, 3,7-DIMETHYL-, (S)-",007540-51-4,7793,"(3S)-3,7-dimethyloct-6-en-1-ol",C[C@@H](CCC=C(C)C)CCO,"InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m0/s1",QMVPMAAFGQKVCJ-JTQLQIEISA-N,C10H20O,156.26,156.1514153,3.2,20.2,112,0,1,1,5,11,,225.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"BUTANE, 1-CHLORO-4-IODO-",010297-05-9,82527,1-chloro-4-iodobutane,C(CCI)CCl,InChI=1S/C4H8ClI/c5-3-1-2-4-6/h1-4H2,JXOSPTBRSOYXGC-UHFFFAOYSA-N,C4H8ClI,218.46,217.93593,2.8,0,23,0,0,0,3,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,7-DIMETHYL-1,6-NONADIEN-3-OL",010339-55-6,6433547,"(6E)-3,7-dimethylnona-1,6-dien-3-ol",CC/C(=C/CCC(C)(C=C)O)/C,"InChI=1S/C11H20O/c1-5-10(3)8-7-9-11(4,12)6-2/h6,8,12H,2,5,7,9H2,1,3-4H3/b10-8+",KRLBLPBPZSSIGH-CSKARUKUSA-N,C11H20O,168.28,168.1514153,3.2,20.2,170,0,1,1,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"DODECABORATE(2-), DODECAHYDRO-, DICESIUM",012008-75-2,71306871,,[B-][B][B][B][B][B][B][B][B][B][B][B-].[Cs+].[Cs+],InChI=1S/B12.2Cs/c1-3-5-7-9-11-12-10-8-6-4-2;;/q-2;2*+1,HYQSHKNTKRZDOM-UHFFFAOYSA-N,B12Cs2,395.6,395.929829,,0,64,0,0,2,9,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"STANNATE (SNO32-), DIPOTASSIUM",012142-33-5,61554,dipotassium;dioxido(oxo)tin,[O-][Sn](=O)[O-].[K+].[K+],InChI=1S/2K.3O.Sn/q2*+1;;2*-1;,IOUCSUBTZWXKTA-UHFFFAOYSA-N,K2O3Sn,244.9,245.814359,,63.2,18,0,0,3,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PLATINATE (PT(OH)62-), DIPOTASSIUM, (OC-6-11)-",012285-90-4,166682,dipotassium;platinum(4+);hexahydroxide,[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[K+].[K+].[Pt+4],InChI=1S/2K.6H2O.Pt/h;;6*1H2;/q2*+1;;;;;;;+4/p-6,ALHHYLLHZKAXCW-UHFFFAOYSA-H,H6K2O6Pt,375.32,374.908645,,6,0,0,6,6,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"BUTANOIC ACID, 4-MERCAPTO-",013095-73-3,25700,4-sulfanylbutanoic acid,C(CC(=O)O)CS,"InChI=1S/C4H8O2S/c5-4(6)2-1-3-7/h7H,1-3H2,(H,5,6)",DTRIDVOOPAQEEL-UHFFFAOYSA-N,C4H8O2S,120.17,120.0245007,0.3,38.3,62,0,2,3,3,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,6-DIMETHYL-2-HEPTANOL",013254-34-7,83268,"2,6-dimethylheptan-2-ol",CC(C)CCCC(C)(C)O,"InChI=1S/C9H20O/c1-8(2)6-5-7-9(3,4)10/h8,10H,5-7H2,1-4H3",HGDVHRITTGWMJK-UHFFFAOYSA-N,C9H20O,144.25,144.1514153,2.7,20.2,84,0,1,1,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"SULFURIC ACID, SCANDIUM(3+) SALT (3:2)",013465-61-7,166819,bis(scandium(3+));trisulfate,[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Sc+3].[Sc+3],"InChI=1S/3H2O4S.2Sc/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+3/p-6",QHYMYKHVGWATOS-UHFFFAOYSA-H,O12S3Sc2,378.1,377.767,,266,62,0,0,12,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DODECANOIC ACID, 3-METHYL-",013490-36-3,114534,3-methyldodecanoic acid,CCCCCCCCCC(C)CC(=O)O,"InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-12(2)11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)",KZNOWILOENIYSH-UHFFFAOYSA-N,C13H26O2,214.34,214.1932801,5.4,37.3,155,0,1,2,10,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ERBIUM BROMIDE (ERBR3),013536-73-7,83562,tribromoerbium,Br[Er](Br)Br,InChI=1S/3BrH.Er/h3*1H;/q;;;+3/p-3,GZTUDAKVGXUNIM-UHFFFAOYSA-K,Br3Er,406.97,404.68326,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"GLYCINE, N-[(1,1-DIMETHYLETHOXY)CARBONYL]-N-METHYL-",013734-36-6,83692,2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid,CC(C)(C)OC(=O)N(C)CC(=O)O,"InChI=1S/C8H15NO4/c1-8(2,3)13-7(12)9(4)5-6(10)11/h5H2,1-4H3,(H,10,11)",YRXIMPFOTQVOHG-UHFFFAOYSA-N,C8H15NO4,189.21,189.100108,0.7,66.8,207,0,1,4,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TERBIUM IODIDE (TBI3),013813-40-6,83747,triiodoterbium,I[Tb](I)I,InChI=1S/3HI.Tb/h3*1H;/q;;;+3/p-3,OJXRJPFRTRETRN-UHFFFAOYSA-K,I3Tb,539.6388,539.6388,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,1,0,1
YTTERBIUM IODIDE (YBI3),013813-44-0,83751,triiodoytterbium,I[Yb](I)I,InChI=1S/3HI.Yb/h3*1H;/q;;;+3/p-3,LSSJSIMBIIVSTN-UHFFFAOYSA-K,I3Yb,553.76,554.6523,,0,8,0,0,0,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TRIPHOSPHORIC ACID, ALUMINUM SALT (1:1)",013939-25-8,9925747,aluminum [[hydroxy(oxido)phosphoryl]oxy-oxidophosphoryl] hydrogen phosphate,OP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-].[Al+3],"InChI=1S/Al.H5O10P3/c;1-11(2,3)9-13(7,8)10-12(4,5)6/h;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q+3;/p-3",QPLNUHHRGZVCLQ-UHFFFAOYSA-K,AlH2O10P3,281.91,281.8676207,,179,259,0,2,10,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
COPPER VANADIUM OXIDE (CUV2O6),014958-34-0,167214,dicopper;heptakis(oxygen(2-));bis(vanadium),[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[V].[V].[Cu+2].[Cu+2],InChI=1S/2Cu.7O.2V/q2*+2;7*-2;;,ZHPNLLIZZFQGFS-UHFFFAOYSA-N,Cu2O7V2-10,340.97,339.711512,,7,0,-10,0,7,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
GADOLINIUM HYDROXIDE (GD(OH)3),016469-18-4,85434,gadolinium(3+) trihydroxide,[OH-].[OH-].[OH-].[Gd+3],InChI=1S/Gd.3H2O/h;3*1H2/q+3;;;/p-3,ILCLBMDYDXDUJO-UHFFFAOYSA-K,GdH3O3,208.27,208.93233,,3,0,0,3,3,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-METHYL-, DOCOSYL ESTER",016669-27-5,3034258,docosyl 2-methylprop-2-enoate,CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1S/C26H50O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-26(27)25(2)3/h2,4-24H2,1,3H3",OCDWICPYKQMQSQ-UHFFFAOYSA-N,C26H50O2,394.7,394.3810808,12.6,26.3,348,0,0,2,23,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"STANNATE(2-), HEXACHLORO-, DIAMMONIUM, (OC-6-11)-",016960-53-5,167595,diazanium;tin(4+);hexachloride,[NH4+].[NH4+].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Sn+4],InChI=1S/6ClH.2H3N.Sn/h6*1H;2*1H3;/q;;;;;;;;+4/p-4,UDMAVAHFQCVSSE-UHFFFAOYSA-J,Cl6H8N2Sn,367.5,367.78112,,2,0,0,2,6,0,9,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUOROOCTYL ESTER",017527-29-6,87149,"3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl prop-2-enoate",C=CC(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C11H7F13O2/c1-2-5(25)26-4-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2H,1,3-4H2",VPKQPPJQTZJZDB-UHFFFAOYSA-N,C11H7F13O2,418.15,418.0238456,5.5,26.3,535,0,0,15,9,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"SILANE, DIMETHOXYBIS(2-METHYLPROPYL)-",017980-32-4,3084284,dimethoxy-bis(2-methylpropyl)silane,CC(C)C[Si](CC(C)C)(OC)OC,"InChI=1S/C10H24O2Si/c1-9(2)7-13(11-5,12-6)8-10(3)4/h9-10H,7-8H2,1-6H3",NHYFIJRXGOQNFS-UHFFFAOYSA-N,C10H24O2Si,204.38,204.1545565,,18.5,119,0,0,2,6,13,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BUTENEDIOIC ACID (Z)-, SODIUM SALT",018016-19-8,6076814,sodium (E)-4-hydroxy-4-oxobut-2-enoate,C(=C/C(=O)[O-])\C(=O)O.[Na+],"InChI=1S/C4H4O4.Na/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+1/p-1/b2-1+;",VRVKOZSIJXBAJG-TYYBGVCCSA-M,C4H3NaO4,138.05,137.9929029,,77.4,140,0,1,4,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"PHOSPHORIC ACID, STRONTIUM SALT (2:1)",018266-28-9,13848442,strontium bis(dihydrogen phosphate),OP(=O)(O)[O-].OP(=O)(O)[O-].[Sr+2],"InChI=1S/2H3O4P.Sr/c2*1-5(2,3)4;/h2*(H3,1,2,3,4);/q;;+2/p-2",AOKGFBICYSLGKE-UHFFFAOYSA-L,H4O8P2Sr,281.59,281.8437533,,161,49,0,4,8,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIMETHYL-7-OCTEN-2-OL",018479-58-8,29096,"2,6-dimethyloct-7-en-2-ol",CC(CCCC(C)(C)O)C=C,"InChI=1S/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3",XSNQECSCDATQEL-UHFFFAOYSA-N,C10H20O,156.26,156.1514153,2.9,20.2,116,0,1,1,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ALUMINUM, TRIS(2-HYDROXYPROPANOATO-O1,O2)-",018917-91-4,16683018,bis(2-hydroxypropanoyloxy)alumanyl 2-hydroxypropanoate,CC(C(=O)O[Al](OC(=O)C(C)O)OC(=O)C(C)O)O,"InChI=1S/3C3H6O3.Al/c3*1-2(4)3(5)6;/h3*2,4H,1H3,(H,5,6);/q;;;+3/p-3",VXYADVIJALMOEQ-UHFFFAOYSA-K,C9H15AlO9,294.19,294.0531455,,140,292,0,3,9,9,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-METHYL-2-[[(1-OXO-2-PROPENYL)OXY]METHYL]-1,3-PROPANEDIYL E",019778-85-9,88240,[2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate,CC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,"InChI=1S/C14H18O6/c1-5-11(15)18-8-14(4,9-19-12(16)6-2)10-20-13(17)7-3/h5-7H,1-3,8-10H2,4H3",HSZUHSXXAOWGQY-UHFFFAOYSA-N,C14H18O6,282.29,282.1103383,2.3,78.9,350,0,0,6,12,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"4-DECENAL, (Z)-",021662-09-9,5362620,(Z)-dec-4-enal,CCCCC/C=C\CCC=O,"InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h6-7,10H,2-5,8-9H2,1H3/b7-6-",CWRKZMLUDFBPAO-SREVYHEPSA-N,C10H18O,154.25,154.1357652,3.1,17.1,105,0,0,1,7,11,,78.00 to 80.00 °C. @ 10.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DODECADIENAL, (E,Z)-",021662-13-5,6430759,"(2E,6Z)-dodeca-2,6-dienal",CCCCC/C=C\CC/C=C/C=O,"InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-7,10-12H,2-5,8-9H2,1H3/b7-6-,11-10+",VPEGROOEBNSCCL-JFEAUALZSA-N,C12H20O,180.29,180.1514153,3.8,17.1,157,0,0,1,8,13,,130.00 to 131.00 °C. @ 5.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TERT-DODECANETHIOL, GOLD(1+) SALT",026403-08-7,161523,gold(1+);2-methylundecane-2-thiolate,CCCCCCCCCC(C)(C)[S-].[Au+],"InChI=1S/C12H26S.Au/c1-4-5-6-7-8-9-10-11-12(2,3)13;/h13H,4-11H2,1-3H3;/q;+1/p-1",SRYWEUNJHMZFDN-UHFFFAOYSA-M,C12H25AuS,398.36,398.134267,,1,108,0,0,1,8,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANOIC ACID, 3-ETHOXY-3-IMINO-, ETHYL ESTER",027317-59-5,75346,ethyl 3-ethoxy-3-iminopropanoate,CCOC(=N)CC(=O)OCC,"InChI=1S/C7H13NO3/c1-3-10-6(8)5-7(9)11-4-2/h8H,3-5H2,1-2H3",ZAKAONRTRWRIJT-UHFFFAOYSA-N,C7H13NO3,159.18,159.0895433,1,59.4,145,0,1,4,6,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANOIC ACID, 2-METHYL-, 3-METHYLBUTYL ESTER",027625-35-0,520326,3-methylbutyl 2-methylbutanoate,CCC(C)C(=O)OCCC(C)C,"InChI=1S/C10H20O2/c1-5-9(4)10(11)12-7-6-8(2)3/h8-9H,5-7H2,1-4H3",VGIRHYHLQKDEPP-UHFFFAOYSA-N,C10H20O2,172.26,172.1463299,3.2,26.3,130,0,0,2,6,12,,185.00 to 186.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-HEXANAMINIUM, N,N,N-TRIHEXYL-, SULFATE (1:1)",032503-34-7,11015848,hydrogen sulfate;tetrahexylazanium,CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.OS(=O)(=O)[O-],"InChI=1S/C24H52N.H2O4S/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;1-5(2,3)4/h5-24H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1",RULHPTADXJPDSN-UHFFFAOYSA-M,C24H53NO4S,451.7,451.3695304,,85.8,271,0,1,4,20,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9-TETRADECEN-1-OL, (Z)-",035153-15-2,5364712,(Z)-tetradec-9-en-1-ol,CCCC/C=C\CCCCCCCCO,"InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h5-6,15H,2-4,7-14H2,1H3/b6-5-",GSAAJQNJNPBBSX-WAYWQWQTSA-N,C14H28O,212.37,212.2140155,5.3,20.2,129,0,1,1,11,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-METHYL-, 2-[2-(2-ETHOXYETHOXY)ETHOXY]ETHYL ESTER",039670-09-2,162388,2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate,CCOCCOCCOCCOC(=O)C(=C)C,"InChI=1S/C12H22O5/c1-4-14-5-6-15-7-8-16-9-10-17-12(13)11(2)3/h2,4-10H2,1,3H3",RBFPEAGEJJSYCX-UHFFFAOYSA-N,C12H22O5,246.3,246.1467238,1.1,54,215,0,0,5,12,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHOPRENE,040596-69-8,5366546,"propan-2-yl (2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate",CC(C)OC(=O)/C=C(\C)/C=C/CC(C)CCCC(C)(C)OC,"InChI=1S/C19H34O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8,11,14-16H,9-10,12-13H2,1-7H3/b11-8+,17-14+",NFGXHKASABOEEW-LDRANXPESA-N,C19H34O3,310.5,310.2507949,5.5,35.5,378,0,0,3,11,22,Flash point is 187 °C (Open cup),256 °C,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-DODECYL-.OMEGA.-HYDROXY-, PHOSPHATE, SODIUM",042612-52-2,86278244,sodium 2-dodecoxyethyl hydrogen phosphate,CCCCCCCCCCCCOCCOP(=O)(O)[O-].[Na+],"InChI=1S/C14H31O5P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;/h2-14H2,1H3,(H2,15,16,17);/q;+1/p-1",FNAQHDAADHAGHX-UHFFFAOYSA-M,C14H30NaO5P,332.35,332.1728553,,78.8,254,0,1,5,15,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"OCTADECANOIC ACID, 9(OR 10)-(SULFOOXY)-, 1-BUTYL ESTER, SODIUM SALT",042808-36-6,122236838,disodium;butyl (Z)-octadec-9-enoate;sulfate,CCCCCCCC/C=C\CCCCCCCC(=O)OCCCC.[O-]S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C22H42O2.2Na.H2O4S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2;;;1-5(2,3)4/h12-13H,3-11,14-21H2,1-2H3;;;(H2,1,2,3,4)/q;2*+1;/p-2/b13-12-;;;",CAQMWFJWGWYQCY-XJYPRCJUSA-L,C22H42Na2O6S,480.6,480.2497488,,115,346,0,0,6,19,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 2-METHYL-, EICOSYL ESTER",045294-18-6,155040,icosyl 2-methylprop-2-enoate,CCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,"InChI=1S/C24H46O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-24(25)23(2)3/h2,4-22H2,1,3H3",CFBXDFZIDLWOSO-UHFFFAOYSA-N,C24H46O2,366.6,366.3497807,11.5,26.3,322,0,0,2,21,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-DECANOL, 10-CHLORO-",051309-10-5,123526,10-chlorodecan-1-ol,C(CCCCCCl)CCCCO,"InChI=1S/C10H21ClO/c11-9-7-5-3-1-2-4-6-8-10-12/h12H,1-10H2",OTUSESJECXGMIV-UHFFFAOYSA-N,C10H21ClO,192.72,192.128093,3.8,20.2,76,0,1,1,9,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHORIC ACID, 2-ETHYLHEXYL ESTER, ZINC SALT",052108-54-0,18328574,zinc 2-ethylhexyl phosphate,CCCCC(CC)COP(=O)([O-])[O-].[Zn+2],"InChI=1S/C8H19O4P.Zn/c1-3-5-6-8(4-2)7-12-13(9,10)11;/h8H,3-7H2,1-2H3,(H2,9,10,11);/q;+2/p-2",JQBWIGPYQPOAJZ-UHFFFAOYSA-L,C8H17O4PZn,273.6,272.015588,,72.4,154,0,0,4,6,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANE, 2-[2-(2-METHOXYETHOXY)ETHOXY]-2-METHYL-",052788-79-1,104324,2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropane,CC(C)(C)OCCOCCOC,"InChI=1S/C9H20O3/c1-9(2,3)12-8-7-11-6-5-10-4/h5-8H2,1-4H3",IVBLRSMVJDVLCP-UHFFFAOYSA-N,C9H20O3,176.25,176.1412445,0.6,27.7,96,0,0,3,7,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, IRON(3+) SALT",055488-18-1,171450,iron(3+);tris(prop-2-enoate),C=CC(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].[Fe+3],"InChI=1S/3C3H4O2.Fe/c3*1-2-3(4)5;/h3*2H,1H2,(H,4,5);/q;;;+3/p-3",WNWBIDPJHFYYLM-UHFFFAOYSA-K,C9H9FeO6,269.01,268.974849,,120,50,0,0,6,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"3,6-OCTADIENAL, 3,7-DIMETHYL-",055722-59-3,108355,"3,7-dimethylocta-3,6-dienal",CC(=CCC=C(C)CC=O)C,"InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5-6,8H,4,7H2,1-3H3",OJLMARCQPSGYNE-UHFFFAOYSA-N,C10H16O,152.23,152.1201151,2.9,17.1,171,0,0,1,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"PROPANOIC ACID, 2-HYDROXY-, COMPD. WITH N-[3-(DIMETHYLAMINO)PROPYL]OCTADECANAM",055819-53-9,62108,N-[3-(dimethylamino)propyl]octadecanamide;2-hydroxypropanoic acid,CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C.CC(C(=O)O)O,"InChI=1S/C23H48N2O.C3H6O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3;1-2(4)3(5)6/h4-22H2,1-3H3,(H,24,26);2,4H,1H3,(H,5,6)",NTLIJZACUWTZFB-UHFFFAOYSA-N,C26H54N2O4,458.7,458.4083582,,89.9,351,0,3,5,21,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"9-HEXADECENAL, (Z)-",056219-04-6,5364643,(Z)-hexadec-9-enal,CCCCCC/C=C\CCCCCCCC=O,"InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8,16H,2-6,9-15H2,1H3/b8-7-",QFPVVMKZTVQDTL-FPLPWBNLSA-N,C16H30O,238.41,238.2296656,6.1,17.1,172,0,0,1,13,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"11-HEXADECEN-1-OL, (Z)-",056683-54-6,5283305,(Z)-hexadec-11-en-1-ol,CCCC/C=C\CCCCCCCCCCO,"InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,17H,2-4,7-16H2,1H3/b6-5-",RHVMNRHQWXIJIS-WAYWQWQTSA-N,C16H32O,240.42,240.2453156,6.4,20.2,152,0,1,1,13,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANEDIAMINE, DIHYDROCHLORIDE",057166-92-4,171572,methanediamine;dihydrochloride,C(N)N.Cl.Cl,InChI=1S/CH6N2.2ClH/c2-1-3;;/h1-3H2;2*1H,QCYJCJJCNRIMNG-UHFFFAOYSA-N,CH8Cl2N2,118.99,118.0064537,,52,2,0,4,2,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANESULFONIC ACID, 2-HYDROXY-, MONOAMMONIUM SALT",057267-78-4,93602,azanium 2-hydroxyethanesulfonate,C(CS(=O)(=O)[O-])O.[NH4+],"InChI=1S/C2H6O4S.H3N/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);1H3",LLOHIFXFHGMBNO-UHFFFAOYSA-N,C2H9NO4S,143.16,143.0252289,,86.8,104,0,2,4,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"FORMIC ACID, COMPD. WITH N,N-DIMETHYLMETHANAMINE (1:1)",058828-90-3,289818,"N,N-dimethylmethanamine;formic acid",CN(C)C.C(=O)O,"InChI=1S/C3H9N.CH2O2/c1-4(2)3;2-1-3/h1-3H3;1H,(H,2,3)",UPVCRZBVVOXMDA-UHFFFAOYSA-N,C4H11NO2,105.14,105.0789786,,40.5,18,0,1,3,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"RUTHENIUM CHLORIDE (RUCL6), (OC-6-11)-",059201-33-1,100982,hexachlororuthenium,Cl[Ru](Cl)(Cl)(Cl)(Cl)Cl,InChI=1S/6ClH.Ru/h6*1H;/q;;;;;;+6/p-6,WCKWXPBDKSOVOK-UHFFFAOYSA-H,Cl6Ru,313.8,313.714506,,0,62,0,0,0,0,7,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TITANIUM, (ISOOCTADECANOATO-O)BIS(2-METHYL-2-PROPENOATO-O)(2-PROPANOLATO)-",061548-33-2,101593280,16-methylheptadecanoate;bis(2-methylprop-2-enoate);propan-2-olate;titanium(4+),CC(C)CCCCCCCCCCCCCCC(=O)[O-].CC(C)[O-].CC(=C)C(=O)[O-].CC(=C)C(=O)[O-].[Ti+4],"InChI=1S/C18H36O2.2C4H6O2.C3H7O.Ti/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;2*1-3(2)4(5)6;1-3(2)4;/h17H,3-16H2,1-2H3,(H,19,20);2*1H2,2H3,(H,5,6);3H,1-2H3;/q;;;-1;+4/p-3",KHUYJBKHCGQOAA-UHFFFAOYSA-K,C29H52O7Ti,560.6,560.3192447,,143,295,0,0,7,14,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, METHYL SULFATE (SALT)",065151-62-4,103280,2-hydroxyethyl(trimethyl)azanium;methyl sulfate,C[N+](C)(C)CCO.COS(=O)(=O)[O-],"InChI=1S/C5H14NO.CH4O4S/c1-6(2,3)4-5-7;1-5-6(2,3)4/h7H,4-5H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",XYJMOGRCMXCNLD-UHFFFAOYSA-M,C6H17NO5S,215.27,215.0827438,,95,137,0,1,5,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4-DECENAL, (E)-",065405-70-1,5702654,(E)-dec-4-enal,CCCCC/C=C/CCC=O,"InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h6-7,10H,2-5,8-9H2,1H3/b7-6+",CWRKZMLUDFBPAO-VOTSOKGWSA-N,C10H18O,154.25,154.1357652,3.1,17.1,105,0,0,1,7,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANEDIOIC ACID, SULFO-, 4-[2-[(12-HYDROXY-1-OXO-9-OCTADECENYL)AMINO]ETHYL] E",067893-42-9,93371,disodium;4-[2-(12-hydroxyoctadec-9-enoylamino)ethoxy]-4-oxo-2-sulfonatobutanoate,CCCCCCC(CC=CCCCCCCCC(=O)NCCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+],"InChI=1S/C24H43NO9S.2Na/c1-2-3-4-11-14-20(26)15-12-9-7-5-6-8-10-13-16-22(27)25-17-18-34-23(28)19-21(24(29)30)35(31,32)33;;/h9,12,20-21,26H,2-8,10-11,13-19H2,1H3,(H,25,27)(H,29,30)(H,31,32,33);;/q;2*+1/p-2",REIVZOOGBSSPEG-UHFFFAOYSA-L,C24H41NNa2O9S,565.6,565.2297416,,181,713,0,2,9,21,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-PROPANESULFONIC ACID, 3-[BIS(2-HYDROXYETHYL)AMINO]-2-HYDROXY-",068399-80-4,100210,3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid,C(CO)N(CCO)CC(CS(=O)(=O)O)O,"InChI=1S/C7H17NO6S/c9-3-1-8(2-4-10)5-7(11)6-15(12,13)14/h7,9-11H,1-6H2,(H,12,13,14)",XCBLFURAFHFFJF-UHFFFAOYSA-N,C7H17NO6S,243.28,243.0776584,-5.1,127,243,0,4,7,8,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-UNDECADIEN-2-ONE",068973-20-6,6427130,"(3E,5E)-undeca-3,5-dien-2-one",CCCCC/C=C/C=C/C(=O)C,"InChI=1S/C11H18O/c1-3-4-5-6-7-8-9-10-11(2)12/h7-10H,3-6H2,1-2H3/b8-7+,10-9+",RCFOEQFXUGQOMT-XBLVEGMJSA-N,C11H18O,166.26,166.1357652,3.5,17.1,166,0,0,1,6,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"OCTANAL, 2,5,7,7-TETRAMETHYL-",114119-97-0,19981043,"2,5,7,7-tetramethyloctanal",CC(CCC(C)C=O)CC(C)(C)C,"InChI=1S/C12H24O/c1-10(8-12(3,4)5)6-7-11(2)9-13/h9-11H,6-8H2,1-5H3",HZAYXCABCQOHLC-UHFFFAOYSA-N,C12H24O,184.32,184.1827154,4.2,17.1,144,0,0,1,6,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
OCTADECYLDIISOBUTYL(DIMETHYLAMINO)SILANE,151613-23-9,3560805,N-[bis(2-methylpropyl)-octadecylsilyl]-N-methylmethanamine,CCCCCCCCCCCCCCCCCC[Si](CC(C)C)(CC(C)C)N(C)C,"InChI=1S/C28H61NSi/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(29(6)7,25-27(2)3)26-28(4)5/h27-28H,8-26H2,1-7H3",LOEXGKXQUATTFB-UHFFFAOYSA-N,C28H61NSi,439.9,439.4573275,,3.2,341,0,0,1,22,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHANOLAMINE HYDROCHLORIDE,014426-21-2,518946,2-(2-hydroxyethylamino)ethanol;hydrochloride,C(CO)NCCO.Cl,"InChI=1S/C4H11NO2.ClH/c6-3-1-5-2-4-7;/h5-7H,1-4H2;1H",VJLOFJZWUDZJBX-UHFFFAOYSA-N,C4H12ClNO2,141.6,141.0556563,,52.5,28,0,4,3,4,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TRIS(HYDROXYMETHYL) METHANE,004704-94-3,78432,"2-(hydroxymethyl)propane-1,3-diol",C(C(CO)CO)O,"InChI=1S/C4H10O3/c5-1-4(2-6)3-7/h4-7H,1-3H2",SFRDXVJWXWOTEW-UHFFFAOYSA-N,C4H10O3,106.12,106.0629942,-1.6,60.7,28,0,3,3,3,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OCTYL DISULFIDE,822-27-5,69970,1-(octyldisulfanyl)octane,CCCCCCCCSSCCCCCCCC,"InChI=1S/C16H34S2/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",AROCLDYPZXMJPW-UHFFFAOYSA-N,C16H34S2,290.6,290.2101934,7.7,50.6,121,0,0,2,15,18,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
MET-GLY,014486-03-4,6992930,2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetic acid,CSCC[C@@H](C(=O)NCC(=O)O)N,"InChI=1S/C7H14N2O3S/c1-13-3-2-5(8)7(12)9-4-6(10)11/h5H,2-4,8H2,1H3,(H,9,12)(H,10,11)/t5-/m0/s1",QXOHLNCNYLGICT-YFKPBYRVSA-N,C7H14N2O3S,206.27,206.0725135,-3,118,187,0,3,5,6,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
VAL-SER,013588-94-8,6992640,(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoic acid,CC(C)[C@@H](C(=O)N[C@@H](CO)C(=O)O)N,"InChI=1S/C8H16N2O4/c1-4(2)6(9)7(12)10-5(3-11)8(13)14/h4-6,11H,3,9H2,1-2H3,(H,10,12)(H,13,14)/t5-,6-/m0/s1",STTYIMSDIYISRG-WDSKDSINSA-N,C8H16N2O4,204.22,204.111007,-4.8,113,217,0,4,5,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OXO-HEPTYL ACETATE,090438-79-2,10920973,7-oxoheptyl acetate,CC(=O)OCCCCCCC=O,"InChI=1S/C9H16O3/c1-9(11)12-8-6-4-2-3-5-7-10/h7H,2-6,8H2,1H3",XQZFZMLSXDDOGF-UHFFFAOYSA-N,C9H16O3,172.22,172.1099444,1.2,43.4,132,0,0,3,8,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DDAB,,16957,didecyl(dimethyl)azanium bromide,CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Br-],"InChI=1S/C22H48N.BrH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1",UMGXUWVIJIQANV-UHFFFAOYSA-M,C22H48BrN,406.5,405.29701,,0,200,0,0,1,18,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ALLYL PROPYL DISULFIDE,002179-59-1,16591,1-(prop-2-enyldisulfanyl)propane,CCCSSCC=C,"InChI=1S/C6H12S2/c1-3-5-7-8-6-4-2/h3H,1,4-6H2,2H3",FCSSPCOFDUKHPV-UHFFFAOYSA-N,C6H12S2,148.3,148.0380427,2.4,50.6,52,0,0,2,5,8,"133.3 °F (NTP, 1992)",66-68 °C at 16 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYL-3-BROMOPROPIONATE,000539-74-2,68320,ethyl 3-bromopropanoate,CCOC(=O)CCBr,"InChI=1S/C5H9BrO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3",FQTIYMRSUOADDK-UHFFFAOYSA-N,C5H9BrO2,181.03,179.97859,1.2,26.3,72,0,0,2,4,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-NONANAL,000124-19-6,31289,nonanal,CCCCCCCCC=O,"InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3",GYHFUZHODSMOHU-UHFFFAOYSA-N,C9H18O,142.24,142.1357652,3.3,17.1,69,0,0,1,7,10,"182 °F (NTP, 1992)","374 to 378 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
1-N0NANOL,000143-08-8,8914,nonan-1-ol,CCCCCCCCCO,"InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3",ZWRUINPWMLAQRD-UHFFFAOYSA-N,C9H20O,144.25,144.1514153,4.3,20.2,52,0,1,1,7,10,"165 °F (USCG, 1999)","415 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
TERT-DODECANETHIOL,025103-58-6,32793,"2,3,3,4,4,5-hexamethylhexane-2-thiol",CC(C)C(C)(C)C(C)(C)C(C)(C)S,"InChI=1S/C12H26S/c1-9(2)10(3,4)11(5,6)12(7,8)13/h9,13H,1-8H3",YAJYJWXEWKRTPO-UHFFFAOYSA-N,C12H26S,202.4,202.175522,4.8,1,176,0,1,1,3,13,"195 °F (NTP, 1992)","441 to 478 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
10-UNDECENAL,000112-45-8,8187,undec-10-enal,C=CCCCCCCCCC=O,"InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11H,1,3-10H2",OFHHDSQXFXLTKC-UHFFFAOYSA-N,C11H20O,168.28,168.1514153,3.8,17.1,108,0,0,1,9,12,,98.00 to 100.00 °C. @ 3.00 mm Hg,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
HEXYLENE GLYCOL,000107-41-5,7870,"2-methylpentane-2,4-diol",CC(CC(C)(C)O)O,"InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3",SVTBMSDMJJWYQN-UHFFFAOYSA-N,C6H14O2,118.17,118.0993797,0.3,40.5,68,0,2,2,2,8,"200 °F (USCG, 1999)","387 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
STEARIC ACID,000057-11-4,5281,octadecanoic acid,CCCCCCCCCCCCCCCCCC(=O)O,"InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)",QIQXTHQIDYTFRH-UHFFFAOYSA-N,C18H36O2,284.5,284.2715304,7.4,37.3,202,0,1,2,16,20,"385 °F (NTP, 1992)","721 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
MANGANESE STEARATE,003353-05-7,160684,manganese(2+);bis(octadecanoate),CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mn+2],"InChI=1S/2C18H36O2.Mn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",SZINCDDYCOIOJQ-UHFFFAOYSA-L,C36H70MnO4,621.9,621.465454,,80.3,196,0,0,4,30,41,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PENTAERYTHRITOL TRIACRYLATE,003524-68-3,19042,[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate,C=CC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C,"InChI=1S/C14H18O7/c1-4-11(16)19-8-14(7-15,9-20-12(17)5-2)10-21-13(18)6-3/h4-6,15H,1-3,7-10H2",HVVWZTWDBSEWIH-UHFFFAOYSA-N,C14H18O7,298.29,298.1052529,1.1,99.1,365,0,1,7,13,21,,"401 to 419 °F at 760 mmHg (Detonates) (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"OCTANOIC ACID, MANGANESE SALT",006535-19-9,160854,manganese(2+);bis(octanoate),CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Mn+2],"InChI=1S/2C8H16O2.Mn/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2",SGLXWMAOOWXVAM-UHFFFAOYSA-L,C16H30MnO4,341.34,341.152452,,80.3,83,0,0,4,10,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
2-(2-ETHYLHEXYLOXY)ETHANOL,001559-35-9,15260,2-(2-ethylhexoxy)ethanol,CCCCC(CC)COCCO,"InChI=1S/C10H22O2/c1-3-5-6-10(4-2)9-12-8-7-11/h10-11H,3-9H2,1-2H3",OHJYHAOODFPJOD-UHFFFAOYSA-N,C10H22O2,174.28,174.1619799,2.5,29.5,83,0,1,2,8,12,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
TRITON X200,009010-41-7,5460632,triton,[3H+],InChI=1S/p+1/i/hT,GPRLSGONYQIRFK-MNYXATJNSA-N,H+,3.016049281,3.016049281,0,0,0,1,1,0,0,0,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ISOOCTADECANAMIDE, N-[3-(DIMETHYLAMINO)PROPYL]-",067799-04-6,105621,N-[3-(dimethylamino)propyl]-16-methylheptadecanamide,CC(C)CCCCCCCCCCCCCCC(=O)NCCCN(C)C,"InChI=1S/C23H48N2O/c1-22(2)18-15-13-11-9-7-5-6-8-10-12-14-16-19-23(26)24-20-17-21-25(3)4/h22H,5-21H2,1-4H3,(H,24,26)",NZXVYLJKFYSEPO-UHFFFAOYSA-N,C23H48N2O,368.6,368.3766642,8.1,32.3,303,0,1,2,19,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
POTASSIUM PHOSPHATE MONOHYDRATE,027176-10-9,22031701,tripotassium;phosphate;hydrate,O.[O-]P(=O)([O-])[O-].[K+].[K+].[K+],"InChI=1S/3K.H3O4P.H2O/c;;;1-5(2,3)4;/h;;;(H3,1,2,3,4);1H2/q3*+1;;/p-3",RMNIZOOYFMNEJJ-UHFFFAOYSA-K,H2K3O5P,230.28,229.8551046,,87.3,36,0,1,5,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
MAGNESIUM STEARATE,000557-04-0,11177,magnesium bis(octadecanoate),CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2],"InChI=1S/2C18H36O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2",HQKMJHAJHXVSDF-UHFFFAOYSA-L,C36H70MgO4,591.2,590.5124524,,80.3,196,0,0,4,30,41,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-HEXADECANOL, DIHYDROGEN PHOSPHATE, DIPOTASSIUM SALT",019045-75-1,117444,dipotassium;hexadecyl phosphate,CCCCCCCCCCCCCCCCOP(=O)([O-])[O-].[K+].[K+],"InChI=1S/C16H35O4P.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;;/h2-16H2,1H3,(H2,17,18,19);;/q;2*+1/p-2",CNXJITYCNQNTBD-UHFFFAOYSA-L,C16H33K2O4P,398.6,398.1390595,,72.4,241,0,0,4,15,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-PROPANAMINIUM, N-(CARBOXYMETHYL)-N,N-DIMETHYL-3-[(1-OXODODECYL)AMINO]-, INNE",004292-10-8,20280,2-[3-(dodecanoylamino)propyl-dimethylazaniumyl]acetate,CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-],"InChI=1S/C19H38N2O3/c1-4-5-6-7-8-9-10-11-12-14-18(22)20-15-13-16-21(2,3)17-19(23)24/h4-17H2,1-3H3,(H-,20,22,23,24)",MRUAUOIMASANKQ-UHFFFAOYSA-N,C19H38N2O3,342.5,342.2882431,5.4,69.2,338,0,1,3,15,24,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"3,8,10-TRIOXA-9-STANNATETRADECA-5,12-DIEN-14-OIC ACID, 9,9-DIOCTYL-4,7,11-TRIO",068109-88-6,16684108,4-O-[[(E)-4-ethoxy-4-oxobut-2-enoyl]oxy-dioctylstannyl] 1-O-ethyl (E)-but-2-enedioate,CCCCCCCC[Sn](OC(=O)/C=C/C(=O)OCC)(OC(=O)/C=C/C(=O)OCC)CCCCCCCC,"InChI=1S/2C8H17.2C6H8O4.Sn/c2*1-3-5-7-8-6-4-2;2*1-2-10-6(9)4-3-5(7)8;/h2*1,3-8H2,2H3;2*3-4H,2H2,1H3,(H,7,8);/q;;;;+2/p-2/b;;2*4-3+;",DRZLVZYYZKVLCK-SEYKUYGWSA-L,C28H48O8Sn,631.4,632.237121,,105,657,0,0,8,26,37,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,0
DIHYDROGEN MAGNESIUM ETHYLENEDIAMINETETRAACETATE,015954-95-7,5150304,magnesium 2-[2-[bis(carboxylatomethyl)azaniumyl]ethyl-(carboxylatomethyl)azaniumyl]acetate,C(C[NH+](CC(=O)[O-])CC(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-].[Mg+2],"InChI=1S/C10H16N2O8.Mg/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);/q;+2/p-2",KOLOHTSFJKVHEP-UHFFFAOYSA-L,C10H14MgN2O8,314.53,314.0600571,,169,321,0,2,8,0,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"STRONTIUM CHLORIDE, ANHYDROUS",010476-85-4,5362485,strontium dichloride,[Cl-].[Cl-].[Sr+2],InChI=1S/2ClH.Sr/h2*1H;/q;;+2/p-2,AHBGXTDRMVNFER-UHFFFAOYSA-L,Cl2Sr,158.52,157.8433176,,0,0,0,0,2,0,3,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OLEIC ACID DIETHANOLAMIDE,000093-83-4,5371728,"(Z)-N,N-bis(2-hydroxyethyl)octadec-9-enamide",CCCCCCCC/C=C\CCCCCCCC(=O)N(CCO)CCO,"InChI=1S/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h9-10,24-25H,2-8,11-21H2,1H3/b10-9-",LPMBTLLQQJBUOO-KTKRTIGZSA-N,C22H43NO3,369.6,369.3242942,5.8,60.8,325,0,2,3,19,26,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"3,5,5-TRIMETHYL-1-HEXANOL",003452-97-9,18938,"3,5,5-trimethylhexan-1-ol",CC(CCO)CC(C)(C)C,"InChI=1S/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3",BODRLKRKPXBDBN-UHFFFAOYSA-N,C9H20O,144.25,144.1514153,3,20.2,81,0,1,1,4,10,93 °C o.c.,193-202 °C,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
1H-PERFLUOROHEPTANE,027213-61-2,9778,"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptane",C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C7HF15/c8-1(9)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)22/h1H",HBZVXKDQRIQMCW-UHFFFAOYSA-N,C7HF15,370.06,369.9838725,5.5,0,401,0,0,15,5,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NICKEL MONOXIDE,001313-99-1,179931,nickel(2+);oxygen(2-),[O-2].[Ni+2],InChI=1S/Ni.O/q+2;-2,KVAWBJDCAFOHRG-UHFFFAOYSA-N,NiO,74.693,73.930256,,1,0,0,0,1,0,2,,,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,1,0
NICKEL OXIDE,001314-06-3,10313272,bis(nickel(3+));tris(oxygen(2-)),[O-2].[O-2].[O-2].[Ni+3].[Ni+3],InChI=1S/2Ni.3O/q2*+3;3*-2,GNMQOUGYKPVJRR-UHFFFAOYSA-N,Ni2O3,165.385,163.855427,,3,0,0,0,3,0,5,,,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,1,0
YTTRIUM IODIDE,013470-38-7,83510,triiodoyttrium,[Y](I)(I)I,InChI=1S/3HI.Y/h3*1H;/q;;;+3/p-3,LFWQXIMAKJCMJL-UHFFFAOYSA-K,I3Y,469.6192,469.6193,,0,8,0,0,0,0,4,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0
COBALT STEARATE,013586-84-0,11093378,cobalt;bis(octadecanoic acid),CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.[Co],"InChI=1S/2C18H36O2.Co/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);",POAOKGZOMGBWOC-UHFFFAOYSA-N,C36H72CoO4,627.9,627.476254,,74.6,454,0,2,4,32,41,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
NICKEL CHROMIUM OXIDE,012018-18-7,21909348,bis(chromium(3+));bis(nickel(2+));pentakis(oxygen(2-)),[O-2].[O-2].[O-2].[O-2].[O-2].[Cr+3].[Cr+3].[Ni+2].[Ni+2],InChI=1S/2Cr.2Ni.5O/q2*+3;2*+2;5*-2,YERTVHOYMUIKKD-UHFFFAOYSA-N,Cr2Ni2O5,301.38,299.726266,,5,0,0,0,5,0,9,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
NICKEL-63,013981-37-8,104905,nickel-63,[63Ni],InChI=1S/Ni/i1+4,PXHVJJICTQNCMI-RNFDNDRNSA-N,Ni,62.929669,62.929669,,0,0,0,0,0,0,1,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1,0
LITHIUM NICKEL OXIDE,012031-65-1,3035375,lithium oxido(oxo)nickel,[Li+].[O-][Ni]=O,InChI=1S/Li.Ni.2O/q+1;;;-1,VROAXDSNYPAOBJ-UHFFFAOYSA-N,LiNiO2,97.7,96.941174,,40.1,13,0,0,2,0,4,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1,0
NICKEL SUBSULFIDE,012035-72-2,25199732,nickel;sulfanylidenenickel,S=[Ni].S=[Ni].[Ni],InChI=1S/3Ni.2S,YGHCWPXPAHSSNA-UHFFFAOYSA-N,Ni3S2,240.22,239.745611,,64.2,2,0,0,2,0,5,,,1,0,1,0,0,1,1,0,0,0,1,0,0,0,0,0,0,1,1,0
NICKEL PHOSPHATE,014396-43-1,165868,tris(nickel(2+)) diphosphate,[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ni+2].[Ni+2].[Ni+2],"InChI=1S/3Ni.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6",AFYAQDWVUWAENU-UHFFFAOYSA-H,Ni3O8P2,366.02,365.708309,,173,36,0,0,8,0,13,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1,1,0
COBALTOUS FORMATE,000544-18-3,10998,cobalt(2+) diformate,C(=O)[O-].C(=O)[O-].[Co+2],"InChI=1S/2CH2O2.Co/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2",PFQLIVQUKOIJJD-UHFFFAOYSA-L,C2H2CoO4,148.97,148.928502,,80.3,7,0,0,4,0,7,,"Becomes anhydrous at 284.0 °F Decomposes at 175 °C. (USCG, 1999)",1,0,0,0,0,1,1,0,0,0,0,0,0,1,1,0,0,1,1,1
"ETHANEDIOIC ACID, NICKEL(2+) SALT (1:1)",000547-67-1,68354,nickel(2+);oxalate,C(=O)(C(=O)[O-])[O-].[Ni+2],"InChI=1S/C2H2O4.Ni/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2",DOLZKNFSRCEOFV-UHFFFAOYSA-L,C2NiO4,146.71,145.915,,80.3,60,0,0,4,0,7,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,1,0
COBALT NICKEL OXIDE,012737-30-3,138395923,cobalt(2+);nickel(2+);tetrakis(oxygen(2-)),[O-2].[O-2].[O-2].[O-2].[Co+2].[Ni+2],InChI=1S/Co.Ni.4O/q2*+2;4*-2,KSHLPUIIJIOBOQ-UHFFFAOYSA-N,CoNiO4-4,181.624,180.848194,,4,0,-4,0,4,0,6,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1,0
"SILICIC ACID, LEAD NICKEL SALT",068130-19-8,85963788,lead(2+);nickel(2+);silicate,[O-][Si]([O-])([O-])[O-].[Ni+2].[Pb+2],"InChI=1S/Ni.O4Si.Pb/c;1-5(2,3)4;/q+2;-4;+2",XEFUHMBIQHKINU-UHFFFAOYSA-N,NiO4PbSi,358,357.86858,,92.2,19,0,0,4,0,7,,,1,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,1,1,0
HEXAVALENT CHROMIUM,018540-29-9,29131,chromium(6+),[Cr+6],InChI=1S/Cr/q+6,JOPOVCBBYLSVDA-UHFFFAOYSA-N,Cr+6,51.996,51.940505,,0,0,6,0,0,0,1,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"GLYOXAL 1,1-DIMETHYL ACETAL",051673-84-8,162650,"2,2-dimethoxyacetaldehyde",COC(C=O)OC,"InChI=1S/C4H8O3/c1-6-4(3-5)7-2/h3-4H,1-2H3",OGFKTAMJLKHRAZ-UHFFFAOYSA-N,C4H8O3,104.1,104.0473441,-0.4,35.5,48,0,0,3,3,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
COBALT (IV) SULFIDE,012013-10-4,134068284,cobalt disulfide,[S-2].[S-2].[Co],InChI=1S/Co.2S/q;2*-2,PHOUCOQMFACDNW-UHFFFAOYSA-N,CoS2-4,123.07,122.877336,,2,0,-4,0,2,0,3,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
SODIUM STEAROYL-2-LACTYLATE,025383-99-7,23671849,sodium 2-(2-octadecanoyloxypropanoyloxy)propanoate,CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-].[Na+],"InChI=1S/C24H44O6.Na/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)29-21(3)24(28)30-20(2)23(26)27;/h20-21H,4-19H2,1-3H3,(H,26,27);/q;+1/p-1",ODFAPIRLUPAQCQ-UHFFFAOYSA-M,C24H43NaO6,450.6,450.2957334,,92.7,469,0,0,6,22,31,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
DL-A-AMINOADIPIC ACID,000542-32-5,469,2-aminohexanedioic acid,C(CC(C(=O)O)N)CC(=O)O,"InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)",OYIFNHCXNCRBQI-UHFFFAOYSA-N,C6H11NO4,161.16,161.0688078,-3.1,101,157,0,3,5,5,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
(METHYLSULFONYL)ETHANE,000594-43-4,79059,1-methylsulfonylethane,CCS(=O)(=O)C,"InChI=1S/C3H8O2S/c1-3-6(2,4)5/h3H2,1-2H3",YBJCDTIWNDBNTM-UHFFFAOYSA-N,C3H8O2S,108.16,108.0245007,0,42.5,105,0,0,2,1,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
METHYL LINOLENATE,000301-00-8,5319706,"methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC,"InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-",DVWSXZIHSUZZKJ-YSTUJMKBSA-N,C19H32O2,292.5,292.2402303,6.2,26.3,314,0,0,2,14,21,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
N-(3-(DIMETHYLAMINO)PROPYL)-2-PROPENAMIDE,003845-76-9,77452,N-[3-(dimethylamino)propyl]prop-2-enamide,CN(C)CCCNC(=O)C=C,"InChI=1S/C8H16N2O/c1-4-8(11)9-6-5-7-10(2)3/h4H,1,5-7H2,2-3H3,(H,9,11)",ADTJPOBHAXXXFS-UHFFFAOYSA-N,C8H16N2O,156.23,156.1262631,0.5,32.3,132,0,1,2,5,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,1
"OCTADECANE, 1-(ETHENYLOXY)-",000930-02-9,13585,1-ethenoxyoctadecane,CCCCCCCCCCCCCCCCCCOC=C,"InChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2/h4H,2-3,5-20H2,1H3",QJJDJWUCRAPCOL-UHFFFAOYSA-N,C20H40O,296.5,296.3079159,9.7,9.2,188,0,0,1,18,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, FORMATE, (Z)-",002142-94-1,5354882,"[(2Z)-3,7-dimethylocta-2,6-dienyl] formate",CC(=CCC/C(=C\COC=O)/C)C,"InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7-",FQMZVFJYMPNUCT-XFFZJAGNSA-N,C11H18O2,182.26,182.1306798,3.5,26.3,198,0,0,2,6,13,,113.00 to 114.00 °C. @ 15.00 mm Hg,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"5-OCTEN-2-ONE, 6-METHYL-",024199-46-0,91135,6-methyloct-5-en-2-one,CCC(=CCCC(=O)C)C,"InChI=1S/C9H16O/c1-4-8(2)6-5-7-9(3)10/h6H,4-5,7H2,1-3H3",SAXWRVSDVXCTEL-UHFFFAOYSA-N,C9H16O,140.22,140.1201151,2.3,17.1,134,0,0,1,4,10,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"HEXANOIC ACID, 2-ETHYL-, 2,2-DIMETHYL-1,3-PROPANEDIYL ESTER",028510-23-8,34260,"[3-(2-ethylhexanoyloxy)-2,2-dimethylpropyl] 2-ethylhexanoate",CCCCC(CC)C(=O)OCC(C)(C)COC(=O)C(CC)CCCC,"InChI=1S/C21H40O4/c1-7-11-13-17(9-3)19(22)24-15-21(5,6)16-25-20(23)18(10-4)14-12-8-2/h17-18H,7-16H2,1-6H3",GORMSINSWZJIKL-UHFFFAOYSA-N,C21H40O4,356.5,356.2926598,6.9,52.6,342,0,0,4,16,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"ETHANEDIOIC ACID, 3,7-DIMETHYL-6-OCTENYL ETHYL ESTER",060788-25-2,108515,"2-O-(3,7-dimethyloct-6-enyl) 1-O-ethyl oxalate",CCOC(=O)C(=O)OCCC(C)CCC=C(C)C,"InChI=1S/C14H24O4/c1-5-17-13(15)14(16)18-10-9-12(4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3",VCHQSPDXMJAXJI-UHFFFAOYSA-N,C14H24O4,256.34,256.1674592,4.4,52.6,290,0,0,4,10,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"N,N'-ETHANE-1,2-DIYLBIS(12-HYDROXYOCTADECAN-1-AMIDE)",000123-26-2,61058,12-hydroxy-N-[2-(12-hydroxyoctadecanoylamino)ethyl]octadecanamide,CCCCCCC(CCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCC(CCCCCC)O)O,"InChI=1S/C38H76N2O4/c1-3-5-7-21-27-35(41)29-23-17-13-9-11-15-19-25-31-37(43)39-33-34-40-38(44)32-26-20-16-12-10-14-18-24-30-36(42)28-22-8-6-4-2/h35-36,41-42H,3-34H2,1-2H3,(H,39,43)(H,40,44)",YLWQQYRYYZPZLJ-UHFFFAOYSA-N,C38H76N2O4,625,624.5805089,11.9,98.7,564,0,4,4,35,44,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
SODIUM PYRUVATE,142014-11-7,16213477,"sodium 2-oxo(1,2,3-13C3)propanoate",[13CH3][13C](=O)[13C](=O)[O-].[Na+],"InChI=1S/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1/i1+1,2+1,3+1;",DAEPDZWVDSPTHF-HCULJTSZSA-M,C3H3NaO3,113.022,113.0080527,,57.2,88,0,0,3,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
NICKEL(II) FORMATE,003349-06-2,27506,nickel(2+) diformate,C(=O)[O-].C(=O)[O-].[Ni+2],"InChI=1S/2CH2O2.Ni/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2",HZPNKQREYVVATQ-UHFFFAOYSA-L,C2H2NiO4,148.73,147.93065,,80.3,7,0,0,4,0,7,,Decomposes at 200-250 °C,1,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,0,1,1,0
NICKEL(II) BROMIDE ANHYDROUS,013462-88-9,278492,dibromonickel,[Ni](Br)Br,InChI=1S/2BrH.Ni/h2*1H;/q;;+2/p-2,IPLJNQFXJUCRNH-UHFFFAOYSA-L,Br2Ni,218.5,217.76997,,0,2,0,0,0,0,3,,,1,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,0,1,1,0
TRI(ETHYLENE GLYCOL) DIMETHACRYLATE,000109-16-0,7979,2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCOCCOCCOC(=O)C(=C)C,"InChI=1S/C14H22O6/c1-11(2)13(15)19-9-7-17-5-6-18-8-10-20-14(16)12(3)4/h1,3,5-10H2,2,4H3",HWSSEYVMGDIFMH-UHFFFAOYSA-N,C14H22O6,286.32,286.1416384,1.6,71.1,314,0,0,6,13,20,,155 °C @ 0.13 kPa,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (R)-",000126-91-0,443158,"(3R)-3,7-dimethylocta-1,6-dien-3-ol",CC(=CCC[C@](C)(C=C)O)C,"InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m0/s1",CDOSHBSSFJOMGT-JTQLQIEISA-N,C10H18O,154.25,154.1357652,2.7,20.2,154,0,1,1,4,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
LINALOOL,000078-70-6,6549,"3,7-dimethylocta-1,6-dien-3-ol",CC(=CCCC(C)(C=C)O)C,"InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3",CDOSHBSSFJOMGT-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,2.7,20.2,154,0,1,1,4,11,78 °C (172 °F) - closed cup,198 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
GERANIOL,000106-24-1,637566,"(2E)-3,7-dimethylocta-2,6-dien-1-ol",CC(=CCC/C(=C/CO)/C)C,"InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+",GLZPCOQZEFWAFX-JXMROGBWSA-N,C10H18O,154.25,154.1357652,2.9,20.2,150,0,1,1,4,11,108 °C (226 °F) - closed cup,"446 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Zinc, (ethylenebis(dithiocarbamato))-",012122-67-7,5284484,zinc N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate,C(CNC(=S)[S-])NC(=S)[S-].[Zn+2],"InChI=1S/C4H8N2S4.Zn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2",AMHNZOICSMBGDH-UHFFFAOYSA-L,C4H6N2S4Zn,275.8,273.870525,,90.2,108,0,2,4,3,11,90 °C,decomposes,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1
SILVER SULFATE,010294-26-5,159865,disilver;sulfate,[O-]S(=O)(=O)[O-].[Ag+].[Ag+],"InChI=1S/2Ag.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2",YPNVIBVEFVRZPJ-UHFFFAOYSA-L,Ag2O4S,311.8,311.76158,,88.6,62,0,0,4,0,7,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"CALCIUM LACTATE, 5-HYDRATE",063690-56-2,165341,calcium;bis(2-hydroxypropanoate);pentahydrate,CC(C(=O)[O-])O.CC(C(=O)[O-])O.O.O.O.O.O.[Ca+2],"InChI=1S/2C3H6O3.Ca.5H2O/c2*1-2(4)3(5)6;;;;;;/h2*2,4H,1H3,(H,5,6);;5*1H2/q;;+2;;;;;/p-2",HPVJXNNKHRNBOY-UHFFFAOYSA-L,C6H20CaO11,308.29,308.0631523,,126,53,0,7,11,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
DIMETHYL SEBACATE,000106-79-6,7829,dimethyl decanedioate,COC(=O)CCCCCCCCC(=O)OC,"InChI=1S/C12H22O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3-10H2,1-2H3",ALOUNLDAKADEEB-UHFFFAOYSA-N,C12H22O4,230.3,230.1518092,3,52.6,179,0,0,4,11,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"TRIDECANOIC ACID, METHYL ESTER",001731-88-0,15608,methyl tridecanoate,CCCCCCCCCCCCC(=O)OC,"InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(15)16-2/h3-13H2,1-2H3",JNDDPBOKWCBQSM-UHFFFAOYSA-N,C14H28O2,228.37,228.2089301,6.3,26.3,155,0,0,2,12,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"N,N-BIS(PHOSPHONOMETHYL)GLYCINE",002439-99-8,17112,2-[bis(phosphonomethyl)amino]acetic acid,C(C(=O)O)N(CP(=O)(O)O)CP(=O)(O)O,"InChI=1S/C4H11NO8P2/c6-4(7)1-5(2-14(8,9)10)3-15(11,12)13/h1-3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)",OXHDYFKENBXUEM-UHFFFAOYSA-N,C4H11NO8P2,263.08,262.9959903,-5.9,156,293,0,5,9,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
[2-(2-METHOXYETHOXY)ETHOXY]ACETIC ACID,016024-58-1,85241,2-[2-(2-methoxyethoxy)ethoxy]acetic acid,COCCOCCOCC(=O)O,"InChI=1S/C7H14O5/c1-10-2-3-11-4-5-12-6-7(8)9/h2-6H2,1H3,(H,8,9)",YHBWXWLDOKIVCJ-UHFFFAOYSA-N,C7H14O5,178.18,178.0841235,-0.6,65,114,0,1,5,8,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"(2S-(2R*,3R*,4S*))-2-AMINO-1,3,4-OCTADECANETRIOL",000554-62-1,122121,"(2S,3S,4R)-2-aminooctadecane-1,3,4-triol",CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)N)O)O,"InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1",AERBNCYCJBRYDG-KSZLIROESA-N,C18H39NO3,317.5,317.2929941,4.6,86.7,226,0,4,4,16,22,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
DODECANOIC-D23 ACID,059154-43-7,16212944,"2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosadeuteriododecanoic acid",[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2",POULHZVOKOAJMA-SJTGVFOPSA-N,C12H24O2,223.46,223.3219952,4.2,37.3,132,0,1,2,10,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, LANTHANUM(3+) SALT",000917-70-4,13511,lanthanum(3+) triacetate,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[La+3],"InChI=1S/3C2H4O2.La/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3",JLRJWBUSTKIQQH-UHFFFAOYSA-K,C6H9LaO6,316.04,315.946276,,120,25,0,0,6,0,13,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"OCTADECANOIC ACID, COMPD. WITH 2-AMINOETHANOL (1:1)",002129-99-9,168950,2-aminoethanol;octadecanoic acid,CCCCCCCCCCCCCCCCCC(=O)O.C(CO)N,"InChI=1S/C18H36O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4/h2-17H2,1H3,(H,19,20);4H,1-3H2",XOSCOJBBKOVIOM-UHFFFAOYSA-N,C20H43NO3,345.6,345.3242942,,83.6,212,0,3,4,17,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, CALCIUM SALT",004075-81-4,19999,calcium propanoate,CCC(=O)[O-].CCC(=O)[O-].[Ca+2],"InChI=1S/2C3H6O2.Ca/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2",BCZXFFBUYPCTSJ-UHFFFAOYSA-L,C6H10CaO4,186.22,186.0204996,,80.3,34,0,0,4,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ZINC, BIS(D-GLUCONATO-O1,O2)-",004468-02-4,443445,"zinc bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)",C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Zn+2],"InChI=1S/2C6H12O7.Zn/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1",WHMDKBIGKVEYHS-IYEMJOQQSA-L,C12H22O14Zn,455.7,454.030097,,283,165,0,10,14,8,27,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHORIC ACID, ALUMINUM SALT (3:1)",013530-50-2,9818426,aluminum tris(dihydrogen phosphate),OP(=O)(O)[O-].OP(=O)(O)[O-].OP(=O)(O)[O-].[Al+3],"InChI=1S/Al.3H3O4P/c;3*1-5(2,3)4/h;3*(H3,1,2,3,4)/q+3;;;/p-3",RGPUVZXXZFNFBF-UHFFFAOYSA-K,AlH6O12P3,317.94,317.88875,,242,49,0,6,12,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-PROPANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-3-(TRIDECYLOXY)-, CHLORIDE",068334-55-4,109314,(2-hydroxy-3-tridecoxypropyl)-trimethylazanium chloride,CCCCCCCCCCCCCOCC(C[N+](C)(C)C)O.[Cl-],"InChI=1S/C19H42NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(21)17-20(2,3)4;/h19,21H,5-18H2,1-4H3;1H/q+1;/p-1",ZNENCJSVIBBUAO-UHFFFAOYSA-M,C19H42ClNO2,352,351.2904073,,29.5,226,0,1,3,16,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-PROPANAMINIUM, N-(CARBOXYMETHYL)-N,N-DIMETHYL-3-[(1-OXODECYL)AMINO]-, INNER",073772-45-9,173217,2-[3-(decanoylamino)propyl-dimethylazaniumyl]acetate,CCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-],"InChI=1S/C17H34N2O3/c1-4-5-6-7-8-9-10-12-16(20)18-13-11-14-19(2,3)15-17(21)22/h4-15H2,1-3H3,(H-,18,20,21,22)",FPVJYHHGNGJAPC-UHFFFAOYSA-N,C17H34N2O3,314.5,314.256943,4.3,69.2,312,0,1,3,13,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
PREGABALIN,148553-50-8,5486971,(3S)-3-(aminomethyl)-5-methylhexanoic acid,CC(C)C[C@@H](CC(=O)O)CN,"InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1",AYXYPKUFHZROOJ-ZETCQYMHSA-N,C8H17NO2,159.23,159.1259288,-1.6,63.3,123,0,2,3,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,1,0
ETHYLHEXYLGLYCERIN,070445-33-9,9859093,"3-(2-ethylhexoxy)propane-1,2-diol",CCCCC(CC)COCC(CO)O,"InChI=1S/C11H24O3/c1-3-5-6-10(4-2)8-14-9-11(13)7-12/h10-13H,3-9H2,1-2H3",NCZPCONIKBICGS-UHFFFAOYSA-N,C11H24O3,204.31,204.1725446,1.9,49.7,117,0,2,3,9,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"UREA, SULFATE (1:1)",021351-39-3,159909,sulfuric acid;urea,C(=O)(N)N.OS(=O)(=O)O,"InChI=1S/CH4N2O.H2O4S/c2-1(3)4;1-5(2,3)4/h(H4,2,3,4);(H2,1,2,3,4)",SSBRSHIQIANGKS-UHFFFAOYSA-N,CH6N2O5S,158.14,157.9997425,,152,110,0,4,5,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-ETHYL-1,3-HEXANEDIOL",000094-96-2,7211,"2-ethylhexane-1,3-diol",CCCC(C(CC)CO)O,"InChI=1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3",RWLALWYNXFYRGW-UHFFFAOYSA-N,C8H18O2,146.23,146.1306798,1.3,40.5,73,0,2,2,5,10,127 °C,244.2 °C @ 760 MM HG,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BORATE(1-), TETRAFLUORO-, MAGNESIUM (2:1)",014708-13-5,167148,magnesium ditetrafluoroborate,[B-](F)(F)(F)F.[B-](F)(F)(F)F.[Mg+2],"InChI=1S/2BF4.Mg/c2*2-1(3,4)5;/q2*-1;+2",YYLMEZLNNFVAGZ-UHFFFAOYSA-N,B2F8Mg,197.92,197.9908773,,0,19,0,0,10,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1
"AMMONIUM PHOSPHATE, MONOBASIC",007722-76-1,24402,azanium dihydrogen phosphate,[NH4+].OP(=O)(O)[O-],"InChI=1S/H3N.H3O4P/c;1-5(2,3)4/h1H3;(H3,1,2,3,4)",LFVGISIMTYGQHF-UHFFFAOYSA-N,H6NO4P,115.03,115.0034447,,81.6,49,0,3,4,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
STEARYL ALCOHOL,000112-92-5,8221,octadecan-1-ol,CCCCCCCCCCCCCCCCCCO,"InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3",GLDOVTGHNKAZLK-UHFFFAOYSA-N,C18H38O,270.5,270.2922658,8.4,20.2,145,0,1,1,16,19,200 °C,210.5 °C at 15 mm Hg,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
BORON NITRIDE,010043-11-5,66227,azanylidyneborane,B#N,InChI=1S/BN/c1-2,PZNSFCLAULLKQX-UHFFFAOYSA-N,BN,24.82,25.0123792,,23.8,10,0,0,1,0,2,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
GADOLINIUM OXIDE,012064-62-9,159427,bis(gadolinium(3+));tris(oxygen(2-)),[O-2].[O-2].[O-2].[Gd+3].[Gd+3],InChI=1S/2Gd.3O/q2*+3;3*-2,CMIHHWBVHJVIGI-UHFFFAOYSA-N,Gd2O3,362.5,365.83592,,3,0,0,0,3,0,5,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
WOLLASTONITE,013983-17-0,26370,calcium dioxido(oxo)silane,[O-][Si](=O)[O-].[Ca+2],InChI=1S/Ca.O3Si/c;1-4(2)3/q+2;-2,OYACROKNLOSFPA-UHFFFAOYSA-N,CaO3Si,116.16,115.9242612,,63.2,18,0,0,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
GALLIUM PHOSPHIDE (PIECES),012063-98-8,82901,gallanylidynephosphane,P#[Ga],InChI=1S/Ga.P,HZXMRANICFIONG-UHFFFAOYSA-N,GaP,100.697,99.89934,,0,10,0,0,0,0,2,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
L-ORNITHINE HYDROCHLORIDE,003184-13-2,76654,"(2S)-2,5-diaminopentanoic acid;hydrochloride",C(C[C@@H](C(=O)O)N)CN.Cl,"InChI=1S/C5H12N2O2.ClH/c6-3-1-2-4(7)5(8)9;/h4H,1-3,6-7H2,(H,8,9);1H/t4-;/m0./s1",GGTYBZJRPHEQDG-WCCKRBBISA-N,C5H13ClN2O2,168.62,168.0665554,,89.3,95,0,4,4,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,7-HEPTANEDIOL",000629-30-1,12381,"heptane-1,7-diol",C(CCCO)CCCO,"InChI=1S/C7H16O2/c8-6-4-2-1-3-5-7-9/h8-9H,1-7H2",SXCBDZAEHILGLM-UHFFFAOYSA-N,C7H16O2,132.2,132.1150297,0.8,40.5,40,0,2,2,6,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
2-DECANOL,001120-06-5,14254,decan-2-ol,CCCCCCCCC(C)O,"InChI=1S/C10H22O/c1-3-4-5-6-7-8-9-10(2)11/h10-11H,3-9H2,1-2H3",ACUZDYFTRHEKOS-UHFFFAOYSA-N,C10H22O,158.28,158.1670653,4,20.2,71,0,1,1,7,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
GLYCEROL MONOLAURATE,000142-18-7,14871,"2,3-dihydroxypropyl dodecanoate",CCCCCCCCCCCC(=O)OCC(CO)O,"InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3",ARIWANIATODDMH-UHFFFAOYSA-N,C15H30O4,274.4,274.2144094,4.2,66.8,206,0,2,4,14,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
AMMONIUM STEARATE,001002-89-7,9861187,azanium octadecanoate,CCCCCCCCCCCCCCCCCC(=O)[O-].[NH4+],"InChI=1S/C18H36O2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);1H3",JPNZKPRONVOMLL-UHFFFAOYSA-N,C18H39NO2,301.5,301.2980795,,41.1,196,0,1,2,15,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
RHENIUM TRIOXIDE,001314-28-9,102110,trioxorhenium,O=[Re](=O)=O,InChI=1S/3O.Re,YSZJKUDBYALHQE-UHFFFAOYSA-N,O3Re,234.205,234.940496,,51.2,61,0,0,3,0,4,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
DODECYL VINYL ETHER,000765-14-0,69826,1-ethenoxydodecane,CCCCCCCCCCCCOC=C,"InChI=1S/C14H28O/c1-3-5-6-7-8-9-10-11-12-13-14-15-4-2/h4H,2-3,5-14H2,1H3",LAYAKLSFVAPMEL-UHFFFAOYSA-N,C14H28O,212.37,212.2140155,6.4,9.2,121,0,0,1,12,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
D-ARGININE,000157-06-2,71070,(2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid,C(C[C@H](C(=O)O)N)CN=C(N)N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m1/s1",ODKSFYDXXFIFQN-SCSAIBSYSA-N,C6H14N4O2,174.2,174.1116757,-4.2,128,176,0,4,4,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,2-DIMETHYLHYDRACRYLALDEHYDE",000597-31-9,11699,"3-hydroxy-2,2-dimethylpropanal",CC(C)(CO)C=O,"InChI=1S/C5H10O2/c1-5(2,3-6)4-7/h3,7H,4H2,1-2H3",JJMOMMLADQPZNY-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,-0.1,37.3,66,0,1,2,2,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-BIS(HYDROXYMETHYL)UREA",000140-95-4,8827,"1,3-bis(hydroxymethyl)urea",C(NC(=O)NCO)O,"InChI=1S/C3H8N2O3/c6-1-4-3(8)5-2-7/h6-7H,1-2H2,(H2,4,5,8)",QUBQYFYWUJJAAK-UHFFFAOYSA-N,C3H8N2O3,120.11,120.0534921,-1.8,81.6,66,0,4,3,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4,4,4-TRIFLUOROCROTONIC ACID",071027-02-6,5709614,"(E)-4,4,4-trifluorobut-2-enoic acid",C(=C/C(F)(F)F)\C(=O)O,"InChI=1S/C4H3F3O2/c5-4(6,7)2-1-3(8)9/h1-2H,(H,8,9)/b2-1+",QZBAYURFHCTXOJ-OWOJBTEDSA-N,C4H3F3O2,140.06,140.0085138,1.1,37.3,135,0,1,5,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"2-AMINOOCTADECANE-1,3-DIOL",013552-09-5,3126,"2-aminooctadecane-1,3-diol",CCCCCCCCCCCCCCCC(C(CO)N)O,"InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3",OTKJDMGTUTTYMP-UHFFFAOYSA-N,C18H39NO2,301.5,301.2980795,5.8,66.5,200,0,3,3,16,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
FERRIC CITRATE HYDRATE,334024-15-6,22178220,"2-hydroxypropane-1,2,3-tricarboxylate;iron(3+);hydrate",C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.[Fe+3],"InChI=1S/C6H8O7.Fe.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H2/q;+3;/p-3",AJVRSHNXSHMMCH-UHFFFAOYSA-K,C6H7FeO8,262.96,262.949028,,142,211,0,2,8,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
3-[[[DIMETHYL-[3-(2-METHYLPROP-2-ENOYLOXY)PROPYL]SILYL]OXY-DIMETHYLSILYL]OXY-DIMETHYLSILYL]PROPYL 2-METHYLPROP-2-ENOATE,058130-03-3,18966775,3-[[[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(=C)C,"InChI=1S/C20H40O6Si3/c1-17(2)19(21)23-13-11-15-27(5,6)25-29(9,10)26-28(7,8)16-12-14-24-20(22)18(3)4/h1,3,11-16H2,2,4-10H3",DDHQGOQEUJIUOC-UHFFFAOYSA-N,C20H40O6Si3,460.8,460.2132686,,71.1,549,0,0,6,16,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
LITHIUM CITRATE HYDRATE,313222-91-2,17749107,"trilithium;2-hydroxypropane-1,2,3-tricarboxylate;hydrate",[Li+].[Li+].[Li+].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O,"InChI=1S/C6H8O7.3Li.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;1H2/q;3*+1;/p-3",OSJRPECIECUBOG-UHFFFAOYSA-K,C6H7Li3O8,228,228.0621025,,142,211,0,2,8,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
LANTHANUM(III) OXALATE HYDRATE,079079-18-8,516802,bis(lanthanum(3+));oxalate;hydrate,C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].O.[La+3].[La+3],"InChI=1S/3C2H2O4.2La.H2O/c3*3-1(4)2(5)6;;;/h3*(H,3,4)(H,5,6);;;1H2/q;;;2*+3;/p-6",KHZAMZAEBBFMFS-UHFFFAOYSA-H,C6H2La2O13,559.88,559.76227,,242,60,0,1,13,0,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-PROPANEDIOL, 2-METHYL-2-NITRO-",000077-49-6,6480,"2-methyl-2-nitropropane-1,3-diol",CC(CO)(CO)[N+](=O)[O-],"InChI=1S/C4H9NO4/c1-4(2-6,3-7)5(8)9/h6-7H,2-3H2,1H3",LOTYADDQWWVBDJ-UHFFFAOYSA-N,C4H9NO4,135.12,135.0531578,-1.1,86.3,104,0,2,4,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-PENTANOL, 3-ETHYL-",000609-27-8,79069,3-ethylpentan-2-ol,CCC(CC)C(C)O,"InChI=1S/C7H16O/c1-4-7(5-2)6(3)8/h6-8H,4-5H2,1-3H3",NEHRITNOSGFGGS-UHFFFAOYSA-N,C7H16O,116.2,116.1201151,2,20.2,48,0,1,1,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-UNDECANONE, 6,10-DIMETHYL-",001604-34-8,95495,"6,10-dimethylundecan-2-one",CC(C)CCCC(C)CCCC(=O)C,"InChI=1S/C13H26O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h11-12H,5-10H2,1-4H3",RBGLEUBCAJNCTR-UHFFFAOYSA-N,C13H26O,198.34,198.1983654,4.5,17.1,149,0,0,1,8,14,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamic acid, 2-hydroxyethyl ester",005395-01-7,21492,2-hydroxyethyl carbamate,C(COC(=O)N)O,"InChI=1S/C3H7NO3/c4-3(6)7-2-1-5/h5H,1-2H2,(H2,4,6)",BTDQXGUEVVTAMD-UHFFFAOYSA-N,C3H7NO3,105.09,105.0425931,-1.1,72.6,63,0,2,3,3,7,370 °F,130-135 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANEDIOIC ACID, HYDROXY-, DIBUTYL ESTER, (.+-.)-",006280-99-5,95385,dibutyl 2-hydroxybutanedioate,CCCCOC(=O)CC(C(=O)OCCCC)O,"InChI=1S/C12H22O5/c1-3-5-7-16-11(14)9-10(13)12(15)17-8-6-4-2/h10,13H,3-9H2,1-2H3",PDSCSYLDRHAHOX-UHFFFAOYSA-N,C12H22O5,246.3,246.1467238,1.8,72.8,227,0,1,5,11,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANOL, 2-[2-(2-PROPOXYETHOXY)ETHOXY]-",023305-64-8,11355992,2-[2-(2-propoxyethoxy)ethoxy]ethanol,CCCOCCOCCOCCO,"InChI=1S/C9H20O4/c1-2-4-11-6-8-13-9-7-12-5-3-10/h10H,2-9H2,1H3",KCBPVRDDYVJQHA-UHFFFAOYSA-N,C9H20O4,192.25,192.1361591,0.1,47.9,87,0,1,4,10,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"OCTANOIC ACID, 2-HEXYL-",060948-91-6,109035,2-hexyloctanoic acid,CCCCCCC(CCCCCC)C(=O)O,"InChI=1S/C14H28O2/c1-3-5-7-9-11-13(14(15)16)12-10-8-6-4-2/h13H,3-12H2,1-2H3,(H,15,16)",SQPZLZZLAPHSPL-UHFFFAOYSA-N,C14H28O2,228.37,228.2089301,5.4,37.3,154,0,1,2,11,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
QUATERNARY AMMONIUM SALT,123312-54-9,93545,dimethyl(dioctadecyl)azanium;hydrogen sulfate,CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.OS(=O)(=O)[O-],"InChI=1S/C38H80N.H2O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5(2,3)4/h5-38H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1",DYJCDOZDBMRUEB-UHFFFAOYSA-M,C38H81NO4S,648.1,647.5886312,,85.8,466,0,1,4,34,44,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
ZINC EDTA (DISODIUM ZINC EDTA),014025-21-9,51808,disodium;zinc;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate,C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Zn+2],"InChI=1S/C10H16N2O8.2Na.Zn/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;2*+1;+2/p-4",UBLOJEHIINPTTG-UHFFFAOYSA-J,C10H12N2Na2O8Zn,399.6,397.968046,,167,293,0,0,10,7,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ETHYL NONAFLUOROISOBUTYL ETHER,163702-06-5,205999,"1-ethoxy-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane",CCOC(C(C(F)(F)F)(C(F)(F)F)F)(F)F,"InChI=1S/C6H5F9O/c1-2-16-6(14,15)3(7,4(8,9)10)5(11,12)13/h2H2,1H3",SQEGLLMNIBLLNQ-UHFFFAOYSA-N,C6H5F9O,264.09,264.0196682,3.7,9.2,225,0,0,10,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ERBIUM OXIDE,012061-16-4,159426,bis(erbium(3+));tris(oxygen(2-)),[O-2].[O-2].[O-2].[Er+3].[Er+3],InChI=1S/2Er.3O/q2*+3;3*-2,ZXGIFJXRQHZCGJ-UHFFFAOYSA-N,Er2O3,382.52,381.847423,,3,0,0,0,3,0,5,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
3-METHOXY-3-METHYL-1-BUTANOL,056539-66-3,62118,3-methoxy-3-methylbutan-1-ol,CC(C)(CCO)OC,"InChI=1S/C6H14O2/c1-6(2,8-3)4-5-7/h7H,4-5H2,1-3H3",MFKRHJVUCZRDTF-UHFFFAOYSA-N,C6H14O2,118.17,118.0993797,0.4,29.5,59,0,1,2,3,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
L-(+)-CYSTEINE HYDROCHLORIDE,000052-89-1,60960,(2R)-2-amino-3-sulfanylpropanoic acid;hydrochloride,C([C@@H](C(=O)O)N)S.Cl,"InChI=1S/C3H7NO2S.ClH/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);1H/t2-;/m0./s1",IFQSXNOEEPCSLW-DKWTVANSSA-N,C3H8ClNO2S,157.62,156.9964274,,64.3,75,0,4,4,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
CITRIC ACID,000077-92-9,311,"2-hydroxypropane-1,2,3-tricarboxylic acid",C(C(=O)O)C(CC(=O)O)(C(=O)O)O,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",KRKNYBCHXYNGOX-UHFFFAOYSA-N,C6H8O7,192.12,192.0270026,-1.7,132,227,0,4,7,5,13,100 °C,"Decomposes (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
CESIUM BICARBONATE,029703-01-3,2734983,cesium hydrogen carbonate,C(=O)(O)[O-].[Cs+],"InChI=1S/CH2O3.Cs/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1",ZMCUDHNSHCRDBT-UHFFFAOYSA-M,CHCsO3,193.922,193.8980209,,60.4,33,0,1,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,1,2-TRICHLOROTRIFLUOROETHANE",000076-13-1,6428,"1,1,2-trichloro-1,2,2-trifluoroethane",C(C(F)(Cl)Cl)(F)(F)Cl,"InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8",AJDIZQLSFPQPEY-UHFFFAOYSA-N,C2Cl3F3,187.37,185.901768,3.2,0,90,0,0,3,1,8,,"117.9 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
METHYLENE BROMIDE,000074-95-3,3024,dibromomethane,C(Br)Br,InChI=1S/CH2Br2/c2-1-3/h1H2,FJBFPHVGVWTDIP-UHFFFAOYSA-N,CH2Br2,173.83,173.85028,1.8,0,2,0,0,0,0,3,,"206.6 °F at 760 mmHg (USCG, 1999)",0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
RIBULOSE BISPHOSPHATE CARBOXYLASE,009027-23-0,162102676,methane;nobelium,C.C.C.C.C.C.C.C.[No].[No].[No].[No].[No].[No].[No].[No].[No].[No].[No].[No].[No].[No].[No],InChI=1S/8CH4.15No/h8*1H4;;;;;;;;;;;;;;;,ZFCCLDTXDCTJRW-UHFFFAOYSA-N,C8H32No15,4014.85,4014.765,,0,0,0,0,0,0,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"2,2'-SULFINYLBISETHANOL",002580-77-0,92933,2-(2-hydroxyethylsulfonyl)ethanol,C(CS(=O)(=O)CCO)O,"InChI=1S/C4H10O4S/c5-1-3-9(7,8)4-2-6/h5-6H,1-4H2",QQLILYBIARWEIF-UHFFFAOYSA-N,C4H10O4S,154.19,154.02998,-1.8,83,130,0,2,4,4,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"SILICIC ACID, CALCIUM MAGNESIUM SALT",012765-06-9,21388751,calcium;magnesium;silicate,[O-][Si]([O-])([O-])[O-].[Mg+2].[Ca+2],"InChI=1S/Ca.Mg.O4Si/c;;1-5(2,3)4/q2*+2;-4",FGZBFIYFJUAETR-UHFFFAOYSA-N,CaMgO4Si,156.47,155.9042176,,92.2,19,0,0,4,0,7,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1
GLYCEROPHOSPHATE DISODIUM HYDRATE,154804-51-0,44828775,"disodium;2-phosphonooxypropane-1,3-diolate;hydrate",C(C(C[O-])OP(=O)(O)O)[O-].O.[Na+].[Na+],"InChI=1S/C3H7O6P.2Na.H2O/c4-1-3(2-5)9-10(6,7)8;;;/h3H,1-2H2,(H2,6,7,8);;;1H2/q-2;2*+1;",UOCRSCMEIHYRII-UHFFFAOYSA-N,C3H9Na2O7P,234.05,233.9881282,,114,125,0,3,7,4,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
TRIBUTOXYETHYL PHOSPHATE,000078-51-3,6540,tris(2-butoxyethyl) phosphate,CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,"InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3",WTLBZVNBAKMVDP-UHFFFAOYSA-N,C18H39O7P,398.5,398.2433406,2.8,72.5,281,0,0,7,21,26,"435 °F (NTP, 1992)","392 to 446 °F at 4 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
ISOFLURANE,026675-46-7,3763,"2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane",C(C(F)(F)F)(OC(F)F)Cl,"InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H",PIWKPBJCKXDKJR-UHFFFAOYSA-N,C3H2ClF5O,184.49,183.9714332,2.1,9.2,102,0,0,6,2,10,,48.5 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1
TREOSULPHAN,000299-75-2,9882105,"[(2S,3S)-2,3-dihydroxy-4-methylsulfonyloxybutyl] methanesulfonate",CS(=O)(=O)OC[C@@H]([C@H](COS(=O)(=O)C)O)O,"InChI=1S/C6H14O8S2/c1-15(9,10)13-3-5(7)6(8)4-14-16(2,11)12/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1",YCPOZVAOBBQLRI-WDSKDSINSA-N,C6H14O8S2,278.3,278.0130098,-2.2,144,345,0,2,8,7,16,,,0,0,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,1
"2,6-OCTADIENENITRILE, 3,7-DIMETHYL-",005146-66-7,21768,"3,7-dimethylocta-2,6-dienenitrile",CC(=CCCC(=CC#N)C)C,"InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3",HLCSDJLATUNSSI-UHFFFAOYSA-N,C10H15N,149.23,149.1204495,3.3,23.8,208,0,0,1,3,11,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
LEAD OXIDE SULFATE (PB5O4(SO4)),012065-90-6,6336911,,O.O.O.O.[O-]S(=O)(=O)[O-].[Pb].[Pb].[Pb].[Pb].[Pb],"InChI=1S/H2O4S.4H2O.5Pb/c1-5(2,3)4;;;;;;;;;/h(H2,1,2,3,4);4*1H2;;;;;/p-2",BKMAZJUOHZYBFP-UHFFFAOYSA-L,H8O8Pb5S-2,1200,1204.87431,,92.6,62,-2,4,8,0,14,,,0,0,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
DIBUTYLTIN DIACETATE,001067-33-0,16682740,[acetyloxy(dibutyl)stannyl] acetate,CCCC[Sn](CCCC)(OC(=O)C)OC(=O)C,"InChI=1S/2C4H9.2C2H4O2.Sn/c2*1-3-4-2;2*1-2(3)4;/h2*1,3-4H2,2H3;2*1H3,(H,3,4);/q;;;;+2/p-2",JJLKTTCRRLHVGL-UHFFFAOYSA-L,C12H24O4Sn,351.03,352.069662,,52.6,227,0,0,4,10,17,"290 °F (NTP, 1992)","266 °F at 2 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0
BERYLLIUM HYDROXIDE,013327-32-7,25879,beryllium dihydroxide,[Be+2].[OH-].[OH-],InChI=1S/Be.2H2O/h;2*1H2/q+2;;/p-2,WPJWIROQQFWMMK-UHFFFAOYSA-L,BeH2O2,43.027,43.0176624,,2,0,0,2,2,0,3,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0
METHYL HYDRAZINE,000060-34-4,6061,methylhydrazine,CNN,"InChI=1S/CH6N2/c1-3-2/h3H,2H2,1H3",HDZGCSFEDULWCS-UHFFFAOYSA-N,CH6N2,46.072,46.0530982,-0.9,38.1,2,0,2,2,0,3,"158 °F (EPA, 1998)","190 °F at 760 mmHg (EPA, 1998)",0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
URETHANE,000051-79-6,5641,ethyl carbamate,CCOC(=O)N,"InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)",JOYRKODLDBILNP-UHFFFAOYSA-N,C3H7NO2,89.09,89.04767847,-0.2,52.3,52,0,1,2,2,6,"198 °F (NTP, 1992)","360 to 363 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ASBESTOS, AMOSITE",012172-73-5,131633415,[dioxido-[oxo(trioxidosilyloxy)silyl]oxysilyl]oxy-[[dioxido-[oxo(trioxidosilyloxy)silyl]oxysilyl]oxy-oxosilyl]oxy-dioxidosilane;heptakis(iron(2+));dihydroxide,[OH-].[OH-].[O-][Si]([O-])([O-])O[Si](=O)O[Si]([O-])([O-])O[Si](=O)O[Si]([O-])([O-])O[Si]([O-])([O-])O[Si](=O)O[Si]([O-])([O-])[O-].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2],"InChI=1S/7Fe.O22Si8.2H2O/c;;;;;;;1-23(16-26(4,5)6)18-28(10,11)19-25(3)21-30(14,15)22-29(12,13)20-24(2)17-27(7,8)9;;/h;;;;;;;;2*1H2/q7*+2;-12;;/p-2",XYCWOLUUHSNDRX-UHFFFAOYSA-L,Fe7H2O24Si8,1001.6,1001.25356,,395,618,0,2,24,12,39,,decomposes,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0
Methylazoxymethanol acetate,000592-62-1,5363199,(Z)-acetyloxymethylimino-methyl-oxidoazanium,CC(=O)OC/N=[N+](/C)\[O-],"InChI=1S/C4H8N2O3/c1-4(7)9-3-5-6(2)8/h3H2,1-2H3/b6-5-",BELPJCDYWUCHKF-WAYWQWQTSA-N,C4H8N2O3,132.12,132.0534921,-0.3,67.4,132,0,0,4,3,9,"210 °F (NTP, 1992)","376 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
1-CHLORODECANE,001002-69-3,13848,1-chlorodecane,CCCCCCCCCCCl,"InChI=1S/C10H21Cl/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3",ZTEHOZMYMCEYRM-UHFFFAOYSA-N,C10H21Cl,176.72,176.1331784,5.8,0,61,0,0,0,8,11,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ACETAMIDE-15N,001449-72-5,12228446,acetamide,CC(=O)[15NH2],"InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)/i3+1",DLFVBJFMPXGRIB-LBPDFUHNSA-N,C2H5NO,60.06,60.03414868,-0.9,43.1,33,0,1,1,0,4,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ANTIMONY TIN OXIDE (ATO) POWDER,128221-48-7,56845640,dioxotin;oxo(oxostibanyloxy)stibane,O=[Sn]=O.O=[Sb]O[Sb]=O,InChI=1S/5O.2Sb.Sn,DCEPJBOKQZTMOG-UHFFFAOYSA-N,O5Sb2Sn,442.23,443.6848,,77.5,52,0,0,5,0,8,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
COBALTOUS OXIDE,001307-96-6,14786,oxocobalt,O=[Co],InChI=1S/Co.O,IVMYJDGYRUAWML-UHFFFAOYSA-N,CoO,74.933,74.928108,,17.1,2,0,0,1,0,2,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIAMINOZIDE,001596-84-5,15331,"4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid",CN(C)NC(=O)CCC(=O)O,"InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)",NOQGZXFMHARMLW-UHFFFAOYSA-N,C6H12N2O3,160.17,160.0847923,-3.1,69.6,156,0,2,4,4,11,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRACHLOROETHYLENE,000127-18-4,31373,"1,1,2,2-tetrachloroethene",C(=C(Cl)Cl)(Cl)Cl,InChI=1S/C2Cl4/c3-1(4)2(5)6,CYTYCFOTNPOANT-UHFFFAOYSA-N,C2Cl4,165.8,165.872461,3.4,0,55,0,0,0,0,6,No flash point in conventional closed tester.,"250 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ACETOHYDROXAMIC ACID,000546-88-3,1990,N-hydroxyacetamide,CC(=O)NO,"InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)",RRUDCFGSUDOHDG-UHFFFAOYSA-N,C2H5NO2,75.07,75.0320284,-1.6,49.3,42,0,2,2,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
BORIC ACID-D3,014149-58-7,16212252,trideuterio borate,[2H]OB(O[2H])O[2H],"InChI=1S/BH3O3/c2-1(3)4/h2-4H/i2D,3D,4D",KGBXLFKZBHKPEV-NRUYWUNFSA-N,BH3O3,64.85,65.0363544,,60.7,8,0,3,3,0,4,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
SILVER BROMIDE,007785-23-1,66199,bromosilver,Br[Ag],InChI=1S/Ag.BrH/h;1H/q+1;/p-1,ADZWSOLPGZMUMY-UHFFFAOYSA-M,AgBr,187.77,185.82343,,0,2,0,0,0,0,2,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
TRIDECAFLUOROHEPTANOIC ACID,000375-85-9,67818,"2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid",C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C7HF13O2/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h(H,21,22)",ZWBAMYVPMDSJGQ-UHFFFAOYSA-N,C7HF13O2,364.06,363.9768954,4.3,37.3,448,0,1,15,5,22,> 113.00 °C (> 235.40 °F) - closed cup,175 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
LEAD PHOSPHATE,007446-27-7,24009,tris(lead(2+)) diphosphate,[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Pb+2].[Pb+2].[Pb+2],"InChI=1S/2H3O4P.3Pb/c2*1-5(2,3)4;;;/h2*(H3,1,2,3,4);;;/q;;3*+2/p-6",HUTDDBSSHVOYJR-UHFFFAOYSA-H,O8P2Pb3,810,811.83461,,173,36,0,0,8,0,13,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
TRIS(2-ETHYLHEXYL) AMINE,001860-26-0,102705,"2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine",CCCCC(CC)CN(CC(CC)CCCC)CC(CC)CCCC,"InChI=1S/C24H51N/c1-7-13-16-22(10-4)19-25(20-23(11-5)17-14-8-2)21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3",BZUDVELGTZDOIG-UHFFFAOYSA-N,C24H51N,353.7,353.4021506,9.6,3.2,220,0,0,1,18,25,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
BORON POTASSIUM OXIDE (B5KO8),011128-29-3,6336601,,[B].[B].[O-2].[K+].[K+],InChI=1S/2B.2K.O/q;;2*+1;-2,YPXZEFMEMBTGMS-UHFFFAOYSA-N,B2K2O,115.82,115.9409379,,1,0,0,0,1,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
SPODUMENE (ALLI(SIO3)2),001302-37-0,166597,aluminum;lithium;bis(dioxido(oxo)silane),[Li+].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[Al+3],InChI=1S/Al.Li.2O3Si/c;;2*1-4(2)3/q+3;+1;2*-2,CNLWCVNCHLKFHK-UHFFFAOYSA-N,AlLiO6Si2,186.1,185.9208826,,126,18,0,0,6,0,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
MANGANESE(II) OXIDE,001344-43-0,14940,oxomanganese,O=[Mn],InChI=1S/Mn.O,VASIZKWUTCETSD-UHFFFAOYSA-N,MnO,70.937,70.932958,,17.1,2,0,0,1,0,2,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
MANGANESE SILICIDE (MNSI2),012032-86-9,6336881,,[Si]=[Mn]=[Si],InChI=1S/Mn.2Si,FHTCLMVMBMJAEE-UHFFFAOYSA-N,MnSi2,111.11,110.891896,,0,18,0,0,0,0,3,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
12-AMINODODECANOIC ACID,000693-57-2,69661,12-aminododecanoic acid,C(CCCCCC(=O)O)CCCCCN,"InChI=1S/C12H25NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11,13H2,(H,14,15)",PBLZLIFKVPJDCO-UHFFFAOYSA-N,C12H25NO2,215.33,215.188529,-0.5,63.3,149,0,2,3,11,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"5,7,12-TRIOXA-6-STANNAEICOSA-2,9-DIENOIC ACID, 6,6-DIBUTYL-4,8,11-TRIOXO-, OCT",017036-31-6,16684024,4-O-[dibutyl-[(Z)-4-octoxy-4-oxobut-2-enoyl]oxystannyl] 1-O-octyl (Z)-but-2-enedioate,CCCCCCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCCCCCC)(CCCC)CCCC,"InChI=1S/2C12H20O4.2C4H9.Sn/c2*1-2-3-4-5-6-7-10-16-12(15)9-8-11(13)14;2*1-3-4-2;/h2*8-9H,2-7,10H2,1H3,(H,13,14);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*9-8-;;;",OSILQYMASGMTIY-WFTKVDHJSA-L,C32H56O8Sn,687.5,688.299721,,105,714,0,0,8,30,41,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"CARBAMIC ACID, [3-(TRIMETHOXYSILYL)PROPYL]-, METHYL ESTER",023432-62-4,90098,methyl N-(3-trimethoxysilylpropyl)carbamate,COC(=O)NCCC[Si](OC)(OC)OC,"InChI=1S/C8H19NO5Si/c1-11-8(10)9-6-5-7-15(12-2,13-3)14-4/h5-7H2,1-4H3,(H,9,10)",MVCSJYRFFFDKCX-UHFFFAOYSA-N,C8H19NO5Si,237.33,237.1032492,,66,178,0,1,5,8,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
METHYL NONYL KETONE,000112-12-9,8163,undecan-2-one,CCCCCCCCCC(=O)C,"InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3",KYWIYKKSMDLRDC-UHFFFAOYSA-N,C11H22O,170.29,170.1670653,4.1,17.1,108,0,0,1,8,12,192 °F (89 °C) (Closed cup),231.5 °C,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"POLY(ACRYLIC ACID), AMMONIUMSALT",010604-69-0,161596,azanium prop-2-enoate,C=CC(=O)[O-].[NH4+],"InChI=1S/C3H4O2.H3N/c1-2-3(4)5;/h2H,1H2,(H,4,5);1H3",WPKYZIPODULRBM-UHFFFAOYSA-N,C3H7NO2,89.09,89.04767847,,41.1,50,0,1,2,0,6,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"L-GLUTAMIC ACID, DIETHYL ESTER, HYDROCHLORIDE",001118-89-4,73960,diethyl (2S)-2-aminopentanedioate;hydrochloride,CCOC(=O)CC[C@@H](C(=O)OCC)N.Cl,"InChI=1S/C9H17NO4.ClH/c1-3-13-8(11)6-5-7(10)9(12)14-4-2;/h7H,3-6,10H2,1-2H3;1H/t7-;/m0./s1",WSEQLMQNPBNMSL-FJXQXJEOSA-N,C9H18ClNO4,239.69,239.0924357,,78.6,193,0,2,5,8,15,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9-DODECEN-1-OL, ACETATE, (Z)-",016974-11-1,5363405,[(Z)-dodec-9-enyl] acetate,CC/C=C\CCCCCCCCOC(=O)C,"InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h4-5H,3,6-13H2,1-2H3/b5-4-",MFFQOUCMBNXSBK-PLNGDYQASA-N,C14H26O2,226.35,226.1932801,4.8,26.3,185,0,0,2,11,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"NEODECANOIC ACID, COPPER SALT",050315-14-5,163179,"copper bis(7,7-dimethyloctanoate)",CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Cu+2],"InChI=1S/2C10H20O2.Cu/c2*1-10(2,3)8-6-4-5-7-9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2",CLUOTFHJTGLPSG-UHFFFAOYSA-L,C20H38CuO4,406.1,405.206607,,80.3,128,0,0,4,10,25,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-DECEN-5-OL, 4-METHYL-",081782-77-6,163336,4-methyldec-3-en-5-ol,CCCCCC(C(=CCC)C)O,"InChI=1S/C11H22O/c1-4-6-7-9-11(12)10(3)8-5-2/h8,11-12H,4-7,9H2,1-3H3",WSTQLNQRVZNEDV-UHFFFAOYSA-N,C11H22O,170.29,170.1670653,3.8,20.2,127,0,1,1,6,12,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
COPPER (I) THIOCYANATE,001111-67-7,61264,copper(1+) thiocyanate,C(#N)[S-].[Cu+],InChI=1S/CHNS.Cu/c2-1-3;/h3H;/q;+1/p-1,PDZKZMQQDCHTNF-UHFFFAOYSA-M,CCuNS,121.63,120.904742,,24.8,31,0,0,2,0,4,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ZINC PHOSPHATE,007779-90-0,24519,trizinc diphosphate,[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Zn+2].[Zn+2].[Zn+2],"InChI=1S/2H3O4P.3Zn/c2*1-5(2,3)4;;;/h2*(H3,1,2,3,4);;;/q;;3*+2/p-6",LRXTYHSAJDENHV-UHFFFAOYSA-H,O8P2Zn3,386.1,383.69116,,173,36,0,0,8,0,13,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 2,2-DIMETHYL-, ISODECYL ESTER",060209-82-7,10198702,"8-methylnonyl 2,2-dimethylpropanoate",CC(C)CCCCCCCOC(=O)C(C)(C)C,"InChI=1S/C15H30O2/c1-13(2)11-9-7-6-8-10-12-17-14(16)15(3,4)5/h13H,6-12H2,1-5H3",KGKQNDQDVZQTAG-UHFFFAOYSA-N,C15H30O2,242.4,242.2245802,5.7,26.3,201,0,0,2,10,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-NONANONE, 2,6,8-TRIMETHYL-",000123-18-2,61057,"2,6,8-trimethylnonan-4-one",CC(C)CC(C)CC(=O)CC(C)C,"InChI=1S/C12H24O/c1-9(2)6-11(5)8-12(13)7-10(3)4/h9-11H,6-8H2,1-5H3",GFWVDQCGGDBTBS-UHFFFAOYSA-N,C12H24O,184.32,184.1827154,3.8,17.1,147,0,0,1,6,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANOIC ACID, 2-METHYL-, 2-METHYLBUTYL ESTER",002445-78-5,17129,2-methylbutyl 2-methylbutanoate,CCC(C)COC(=O)C(C)CC,"InChI=1S/C10H20O2/c1-5-8(3)7-12-10(11)9(4)6-2/h8-9H,5-7H2,1-4H3",PVYFCGRBIREQLL-UHFFFAOYSA-N,C10H20O2,172.26,172.1463299,3.2,26.3,132,0,0,2,6,12,,70.00 to 72.00 °C. @ 11.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-PROPANAMINIUM, N-(CARBOXYMETHYL)-N,N-DIMETHYL-3-[[(3,3,4,4,5,5,6,6,7,7,8,8,8",034455-29-3,118691,"2-[dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonylamino)propyl]azaniumyl]acetate",C[N+](C)(CCCNS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)[O-],"InChI=1S/C15H19F13N2O4S/c1-30(2,8-9(31)32)6-3-5-29-35(33,34)7-4-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h29H,3-8H2,1-2H3",OKOCIUJVPQKDLL-UHFFFAOYSA-N,C15H19F13N2O4S,570.4,570.0857944,4.8,94.7,846,0,1,18,13,35,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANEDIOIC ACID, (TETRAPROPENYL)-, MONOESTER WITH 1,2-PROPANEDIOL",052305-09-6,3034717,"3-(2-hydroxypropoxycarbonyl)-2-prop-2-enyl-2,3-dipropylhexanoic acid",CCCC(CCC)(C(=O)OCC(C)O)C(CCC)(CC=C)C(=O)O,"InChI=1S/C19H34O5/c1-6-10-18(11-7-2,16(21)22)19(12-8-3,13-9-4)17(23)24-14-15(5)20/h6,15,20H,1,7-14H2,2-5H3,(H,21,22)",FQZSBGCKPCCCPZ-UHFFFAOYSA-N,C19H34O5,342.5,342.2406242,4.4,83.8,412,0,2,5,14,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-PROPANESULFONIC ACID, 2-HYDROXY-3-[(2-HYDROXYETHYL)[2-[(1-OXO-9-OCTADECENYL)",068134-15-6,53432490,sodium 2-hydroxy-3-[2-hydroxyethyl-[2-(octadec-9-enoylamino)ethyl]amino]propane-1-sulfonate,CCCCCCCCC=CCCCCCCCC(=O)NCCN(CCO)CC(CS(=O)(=O)[O-])O.[Na+],"InChI=1S/C25H50N2O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(30)26-18-19-27(20-21-28)22-24(29)23-34(31,32)33;/h9-10,24,28-29H,2-8,11-23H2,1H3,(H,26,30)(H,31,32,33);/q;+1/p-1",HPHSQXYITTYVEY-UHFFFAOYSA-M,C25H49N2NaO6S,528.7,528.3209027,,138,614,0,3,7,24,35,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
PROPYLENE GLYCOL MONOSTEARATE,001323-39-3,14878,2-hydroxypropyl octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OCC(C)O,"InChI=1S/C21H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-19-20(2)22/h20,22H,3-19H2,1-2H3",FKOKUHFZNIUSLW-UHFFFAOYSA-N,C21H42O3,342.6,342.3133952,8.3,46.5,266,0,1,3,19,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"18:1 PC (CIS), 1,2,-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE",004235-95-4,10350317,"[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC,"InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/b22-20-,23-21-/t42-/m1/s1",SNKAWJBJQDLSFF-NVKMUCNASA-N,C44H84NO8P,786.1,785.5934556,13.8,111,972,0,0,8,42,54,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DODECANAMIDE,001120-16-7,14256,dodecanamide,CCCCCCCCCCCC(=O)N,"InChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H2,13,14)",ILRSCQWREDREME-UHFFFAOYSA-N,C12H25NO,199.33,199.1936144,3.5,43.1,134,0,1,1,10,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CARBONIC ACID, PRASEODYMIUM(3+) SALT (3:2)",005895-45-4,165369,bis(praseodymium(3+));tricarbonate,C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].[Pr+3].[Pr+3],"InChI=1S/3CH2O3.2Pr/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6",XIRHLBQGEYXJKG-UHFFFAOYSA-H,C3O9Pr2,461.84,461.76955,,190,18,0,0,9,0,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
RUTHENIUM HYDROXIDE (RU(OH)3),012135-42-1,82932,ruthenium;trihydrate,O.O.O.[Ru],InChI=1S/3H2O.Ru/h3*1H2;,RQPOMTUDFBZCHG-UHFFFAOYSA-N,H6O3Ru,155.1,155.936034,,3,3,0,3,3,0,4,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hydroxylamine, O-methyl-",67-62-9,4113,O-methylhydroxylamine,CON,"InChI=1S/CH5NO/c1-3-2/h2H2,1H3",GMPKIPWJBDOURN-UHFFFAOYSA-N,CH5NO,47.057,47.03711378,-0.7,35.3,4,0,1,2,0,3,,49-50 °C @ 760 MM HG,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Ethane, pentabromo-",75-95-6,60967,"1,1,1,2,2-pentabromoethane",C(C(Br)(Br)Br)(Br)Br,"InChI=1S/C2HBr5/c3-1(4)2(5,6)7/h1H",OGVPXEPSTZMAFF-UHFFFAOYSA-N,C2HBr5,424.55,423.59541,4.3,0,51,0,0,0,0,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Ethylene, 1,1-dichloro-2,2-difluoro-",79-35-6,6592,"1,1-dichloro-2,2-difluoroethene",C(=C(Cl)Cl)(F)F,InChI=1S/C2Cl2F2/c3-1(4)2(5)6,QDGONURINHVBEW-UHFFFAOYSA-N,C2Cl2F2,132.92,131.9345117,2.4,0,69,0,0,2,0,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetaldehyde, dipropyl acetal",105-82-8,66929,1-(1-propoxyethoxy)propane,CCCOC(C)OCCC,"InChI=1S/C8H18O2/c1-4-6-9-8(3)10-7-5-2/h8H,4-7H2,1-3H3",MISTZQJSHHTDCF-UHFFFAOYSA-N,C8H18O2,146.23,146.1306798,2.2,18.5,56,0,0,2,6,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Crotonic acid, 3-hydroxy-, methyl ester, dimethyl phosphate, (Z)-",338-45-4,6433175,methyl (Z)-3-dimethoxyphosphoryloxybut-2-enoate,C/C(=C/C(=O)OC)/OP(=O)(OC)OC,"InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5-",GEPDYQSQVLXLEU-WAYWQWQTSA-N,C7H13O6P,224.15,224.0449751,1.2,71.1,263,0,0,6,6,14,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propane, 2,3-dichloro-1,1,1-trifluoro-",338-75-0,9561,"2,3-dichloro-1,1,1-trifluoropropane",C(C(C(F)(F)F)Cl)Cl,"InChI=1S/C3H3Cl2F3/c4-1-2(5)3(6,7)8/h2H,1H2",QJMGASHUZRHZBT-UHFFFAOYSA-N,C3H3Cl2F3,166.95,165.95639,2.6,0,69,0,0,3,1,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"1-Butanol, 4-fluoro-",372-93-0,9755,4-fluorobutan-1-ol,C(CCF)CO,"InChI=1S/C4H9FO/c5-3-1-2-4-6/h6H,1-4H2",SHOBGSRUFRALBO-UHFFFAOYSA-N,C4H9FO,92.11,92.06374307,0.2,20.2,23,0,1,2,3,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-Hexyne, 6-fluoro-",373-16-0,9762,6-fluorohex-1-yne,C#CCCCCF,"InChI=1S/C6H9F/c1-2-3-4-5-6-7/h1H,3-6H2",YDUGWJMUYOGFLN-UHFFFAOYSA-N,C6H9F,100.13,100.0688284,1.9,0,67,0,0,1,3,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-Propenoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester",376-84-1,67829,"2,2,3,3,4,4,5,5-octafluoropentyl prop-2-enoate",C=CC(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F,"InChI=1S/C8H6F8O2/c1-2-4(17)18-3-6(11,12)8(15,16)7(13,14)5(9)10/h2,5H,1,3H2",WISUNKZXQSKYMR-UHFFFAOYSA-N,C8H6F8O2,286.12,286.0240047,3.6,26.3,325,0,0,10,7,18,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Heptanamine, 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-",423-49-4,2776139,"2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptan-1-amine",C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N,"InChI=1S/C7H4F13N/c8-2(9,1-21)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h1,21H2",RWJCANHSJXNRDM-UHFFFAOYSA-N,C7H4F13N,349.09,349.0136152,3.8,26,380,0,1,14,5,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Propanol, fluoro-",430-50-2,101671,1-fluoropropan-2-ol,CC(CF)O,"InChI=1S/C3H7FO/c1-3(5)2-4/h3,5H,2H2,1H3",WPUWNCWLDZMYSC-UHFFFAOYSA-N,C3H7FO,78.09,78.04809301,0.3,20.2,22,0,1,2,1,5,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Propionaldehyde, 3,3,3-trifluoro-",460-40-2,68028,"3,3,3-trifluoropropanal",C(C=O)C(F)(F)F,"InChI=1S/C3H3F3O/c4-3(5,6)1-2-7/h2H,1H2",UTMIEQASUFFADK-UHFFFAOYSA-N,C3H3F3O,112.05,112.0135992,0.8,17.1,65,0,0,4,1,7,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Propanesulfonyl fluoride, 3-fluoro-",461-29-0,68033,3-fluoropropane-1-sulfonyl fluoride,C(CF)CS(=O)(=O)F,"InChI=1S/C3H6F2O2S/c4-2-1-3-8(5,6)7/h1-3H2",QWNOXXWLUNRPEX-UHFFFAOYSA-N,C3H6F2O2S,144.14,144.0056569,0.8,42.5,134,0,0,4,3,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"Propane, 3-fluoro-1-nitro-",462-24-8,68040,1-fluoro-3-nitropropane,C(C[N+](=O)[O-])CF,InChI=1S/C3H6FNO2/c4-2-1-3-5(6)7/h1-3H2,VTLREOOVLIJFTN-UHFFFAOYSA-N,C3H6FNO2,107.08,107.0382566,0.7,45.8,60,0,0,3,2,7,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"Propanol, 3-fluoro-",462-43-1,68042,3-fluoropropan-1-ol,C(CO)CF,"InChI=1S/C3H7FO/c4-2-1-3-5/h5H,1-3H2",NLRJUIXKEMCEOH-UHFFFAOYSA-N,C3H7FO,78.09,78.04809301,-0.3,20.2,16,0,1,2,2,5,,,0,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"Methane, diethoxy-",462-95-3,10024,ethoxymethoxyethane,CCOCOCC,"InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3",KLKFAASOGCDTDT-UHFFFAOYSA-N,C5H12O2,104.15,104.0837296,0.8,18.5,25,0,0,2,4,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Nonane, 1-fluoro-",463-18-3,10029,1-fluorononane,CCCCCCCCCF,"InChI=1S/C9H19F/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3",ITPAUTYYXIENLO-UHFFFAOYSA-N,C9H19F,146.25,146.1470788,5.3,0,52,0,0,1,7,10,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Sulfone, bis(2-chloroethyl)",471-03-4,10109,1-chloro-2-(2-chloroethylsulfonyl)ethane,C(CCl)S(=O)(=O)CCCl,"InChI=1S/C4H8Cl2O2S/c5-1-3-9(7,8)4-2-6/h1-4H2",LUYAMNYBNTVQJG-UHFFFAOYSA-N,C4H8Cl2O2S,191.08,189.9622061,0.8,42.5,134,0,0,2,4,9,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanol, 2-(ethylsulfonyl)-",513-12-2,10549,2-ethylsulfonylethanol,CCS(=O)(=O)CCO,"InChI=1S/C4H10O3S/c1-2-8(6,7)4-3-5/h5H,2-4H2,1H3",LJNDRJPZYNGSKZ-UHFFFAOYSA-N,C4H10O3S,138.19,138.0350654,-0.7,62.8,130,0,1,3,3,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Urea, (2-isopropyl-4-pentenoyl)-",528-92-7,10715,N-carbamoyl-2-propan-2-ylpent-4-enamide,CC(C)C(CC=C)C(=O)NC(=O)N,"InChI=1S/C9H16N2O2/c1-4-5-7(6(2)3)8(12)11-9(10)13/h4,6-7H,1,5H2,2-3H3,(H3,10,11,12,13)",KSUUMAWCGDNLFK-UHFFFAOYSA-N,C9H16N2O2,184.24,184.1211778,1.7,72.2,212,0,2,2,4,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ether, ethyl methyl",540-67-0,10903,methoxyethane,CCOC,"InChI=1S/C3H8O/c1-3-4-2/h3H2,1-2H3",XOBKSJJDNFUZPF-UHFFFAOYSA-N,C3H8O,60.1,60.05751487,0.4,9.2,7,0,0,1,1,4,"-35 °F (NFPA, 2010)",7.4 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propionic acid, 2,3-dichloro-",565-64-0,11263,"2,3-dichloropropanoic acid",C(C(C(=O)O)Cl)Cl,"InChI=1S/C3H4Cl2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)",GKFWNPPZHDYVLI-UHFFFAOYSA-N,C3H4Cl2O2,142.97,141.9588348,1,37.3,73,0,1,2,2,7,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-Propanol, 1,3-dimercapto-",584-04-3,68505,"1,3-bis(sulfanyl)propan-2-ol",C(C(CS)O)S,"InChI=1S/C3H8OS2/c4-3(1-5)2-6/h3-6H,1-2H2",WNPSAOYKQQUALV-UHFFFAOYSA-N,C3H8OS2,124.23,124.0016572,0.2,22.2,28,0,3,3,2,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isothiocyanic acid, isobutyl ester",591-82-2,68960,1-isothiocyanato-2-methylpropane,CC(C)CN=C=S,"InChI=1S/C5H9NS/c1-5(2)3-6-4-7/h5H,3H2,1-2H3",NSDDRJXKROCWRZ-UHFFFAOYSA-N,C5H9NS,115.2,115.0455705,2.8,44.5,82,0,0,2,2,7,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Cyanamide, diethyl-",617-83-4,12050,diethylcyanamide,CCN(CC)C#N,"InChI=1S/C5H10N2/c1-3-7(4-2)5-6/h3-4H2,1-2H3",ZZTSQZQUWBFTAT-UHFFFAOYSA-N,C5H10N2,98.15,98.08439833,1.3,27,75,0,0,2,2,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Glycerol, 2-nitrate",620-12-2,69280,"1,3-dihydroxypropan-2-yl nitrate",C(C(CO)O[N+](=O)[O-])O,"InChI=1S/C3H7NO5/c5-1-3(2-6)9-4(7)8/h3,5-6H,1-2H2",QYZBMMOLPVKAPU-UHFFFAOYSA-N,C3H7NO5,137.09,137.0324223,-0.8,95.5,84,0,2,5,3,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, 2,2,2-trichloroethyl ester",625-24-1,12241,"2,2,2-trichloroethyl acetate",CC(=O)OCC(Cl)(Cl)Cl,"InChI=1S/C4H5Cl3O2/c1-3(8)9-2-4(5,6)7/h2H2,1H3",XHAXVDWUMCHTCY-UHFFFAOYSA-N,C4H5Cl3O2,191.44,189.935512,2,26.3,107,0,0,2,2,9,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pentanal, 4-oxo-",626-96-0,164702,4-oxopentanal,CC(=O)CCC=O,"InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h4H,2-3H2,1H3",KEHNRUNQZGRQHU-UHFFFAOYSA-N,C5H8O2,100.12,100.0524295,-0.7,34.1,76,0,0,2,3,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Ether, 2-chloroethyl ethyl",628-34-2,12341,1-chloro-2-ethoxyethane,CCOCCCl,"InChI=1S/C4H9ClO/c1-2-6-4-3-5/h2-4H2,1H3",GPTVQTPMFOLLOA-UHFFFAOYSA-N,C4H9ClO,108.57,108.0341926,1,9.2,23,0,0,1,3,6,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Arsine, iododimethyl-",676-75-5,69608,iodo(dimethyl)arsane,C[As](C)I,InChI=1S/C2H6AsI/c1-3(2)4/h1-2H3,JHQSGZOIIRXESF-UHFFFAOYSA-N,C2H6AsI,231.9,231.87302,,0,13,0,0,0,0,4,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propanoic acid, 3-amino-3-thioxo-, methyl ester",689-09-8,3035269,methyl 3-amino-3-sulfanylidenepropanoate,COC(=O)CC(=S)N,"InChI=1S/C4H7NO2S/c1-7-4(6)2-3(5)8/h2H2,1H3,(H2,5,8)",DVXKSWIBOSXJRV-UHFFFAOYSA-N,C4H7NO2S,133.17,133.0197496,-0.2,84.4,113,0,1,3,3,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Hexen-3-yn-2-ol, 2-methyl-",690-94-8,12723,2-methylhex-5-en-3-yn-2-ol,CC(C)(C#CC=C)O,"InChI=1S/C7H10O/c1-4-5-6-7(2,3)8/h4,8H,1H2,2-3H3",OYWGYGPXPDGOGH-UHFFFAOYSA-N,C7H10O,110.15,110.0731649,1.2,20.2,142,0,1,1,1,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,1
"Ethanesulfonyl chloride, 2-fluoro-",762-68-5,69806,2-fluoroethanesulfonyl chloride,C(CS(=O)(=O)Cl)F,"InChI=1S/C2H4ClFO2S/c3-7(5,6)2-1-4/h1-2H2",OIMIESCACWPSOF-UHFFFAOYSA-N,C2H4ClFO2S,146.57,145.9604564,0.7,42.5,123,0,0,3,2,7,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"Thiocyanic acid, dodecyl ester",765-15-1,69827,dodecyl thiocyanate,CCCCCCCCCCCCSC#N,"InChI=1S/C13H25NS/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14/h2-12H2,1H3",RYZZMYXTNUJGMU-UHFFFAOYSA-N,C13H25NS,227.41,227.170771,6.5,49.1,159,0,0,2,11,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Propylamine, 2-chloro-N,N-diethyl-, hydrochloride",869-25-0,120823,1-(diethylamino)propan-2-ol;hydrochloride,CCN(CC)CC(C)O.Cl,"InChI=1S/C7H17NO.ClH/c1-4-8(5-2)6-7(3)9;/h7,9H,4-6H2,1-3H3;1H",MTYMJSQREOLACA-UHFFFAOYSA-N,C7H18ClNO,167.68,167.1076919,,23.5,61,0,2,2,4,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ammonium, (3-carboxyallyl)trimethyl-, hydroxide, inner salt",927-89-9,5462194,(E)-4-(trimethylazaniumyl)but-2-enoate,C[N+](C)(C)C/C=C/C(=O)[O-],"InChI=1S/C7H13NO2/c1-8(2,3)6-4-5-7(9)10/h4-5H,6H2,1-3H3/b5-4+",GUYHPGUANSLONG-SNAWJCMRSA-N,C7H13NO2,143.18,143.0946287,0.7,40.1,139,0,0,2,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Sulfonium, (3-amino-3-carboxypropyl)dimethyl-, chloride, L-",1115-84-0,16217806,[(3S)-3-amino-3-carboxypropyl]-dimethylsulfanium chloride,C[S+](C)CC[C@@H](C(=O)O)N.[Cl-],"InChI=1S/C6H13NO2S.ClH/c1-10(2)4-3-5(7)6(8)9;/h5H,3-4,7H2,1-2H3;1H/t5-;/m0./s1",MYGVPKMVGSXPCQ-JEDNCBNOSA-N,C6H14ClNO2S,199.7,199.0433776,,64.3,116,0,2,4,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Methanesulfonamide, N-methyl-",1184-85-6,97632,N-methylmethanesulfonamide,CNS(=O)(=O)C,"InChI=1S/C2H7NO2S/c1-3-6(2,4)5/h3H,1-2H3",UHNHTTIUNATJKL-UHFFFAOYSA-N,C2H7NO2S,109.15,109.0197496,-0.7,54.6,108,0,1,3,1,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Valeric acid, 2,2-dimethyl-",1185-39-3,14455,"2,2-dimethylpentanoic acid",CCCC(C)(C)C(=O)O,"InChI=1S/C7H14O2/c1-4-5-7(2,3)6(8)9/h4-5H2,1-3H3,(H,8,9)",ZRYCZAWRXHAAPZ-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,2.1,37.3,105,0,1,2,3,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Butyric acid, 3-hydroxy-, methyl ester",1487-49-6,15146,methyl 3-hydroxybutanoate,CC(CC(=O)OC)O,"InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3",LDLDJEAVRNAEBW-UHFFFAOYSA-N,C5H10O3,118.13,118.0629942,-0.2,46.5,79,0,1,3,3,8,,158.00 to 160.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Methane, dichlorodinitro-",1587-41-3,15318,dichloro(dinitro)methane,C([N+](=O)[O-])([N+](=O)[O-])(Cl)Cl,"InChI=1S/CCl2N2O4/c2-1(3,4(6)7)5(8)9",VLWDJCZBZPKOGX-UHFFFAOYSA-N,CCl2N2O4,174.92,173.9235119,1.3,91.6,128,0,0,4,0,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 1-isopropyl-2-thio-",1719-76-2,1711921,propan-2-ylthiourea,CC(C)NC(=S)N,"InChI=1S/C4H10N2S/c1-3(2)6-4(5)7/h3H,1-2H3,(H3,5,6,7)",POXAIQSXNOEQGM-UHFFFAOYSA-N,C4H10N2S,118.2,118.0564695,0.4,70.1,70,0,2,1,1,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Trisiloxane, 1,1,1,3,5,5,5-heptamethyl-3-hexyl-",1873-90-1,120595,hexyl-methyl-bis(trimethylsilyloxy)silane,CCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C,"InChI=1S/C13H34O2Si3/c1-9-10-11-12-13-18(8,14-16(2,3)4)15-17(5,6)7/h9-13H2,1-8H3",PNJMJEXVQAFSBS-UHFFFAOYSA-N,C13H34O2Si3,306.66,306.1866599,,18.5,215,0,0,2,9,18,,,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
Allyl trisulfide,2050-87-5,16315,3-(prop-2-enyltrisulfanyl)prop-1-ene,C=CCSSSCC=C,"InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2",UBAXRAHSPKWNCX-UHFFFAOYSA-N,C6H10S3,178.3,177.9944638,2.6,75.9,70,0,0,3,6,9,,112.00 to 120.00 °C. @ 16.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Butyn-2-ol, 4-bromo-2-methyl-",2063-19-6,200427,4-bromo-2-methylbut-3-yn-2-ol,CC(C)(C#CBr)O,"InChI=1S/C5H7BrO/c1-5(2,7)3-4-6/h7H,1-2H3",PCIPCEOKFBAUNM-UHFFFAOYSA-N,C5H7BrO,163.01,161.96803,1.3,20.2,115,0,1,1,1,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,1
"2-Propanol, 1-dibutylamino-",2109-64-0,294557,1-(dibutylamino)propan-2-ol,CCCCN(CCCC)CC(C)O,"InChI=1S/C11H25NO/c1-4-6-8-12(9-7-5-2)10-11(3)13/h11,13H,4-10H2,1-3H3",ICMJHPBQTVWCNT-UHFFFAOYSA-N,C11H25NO,187.32,187.1936144,2.5,23.5,98,0,1,2,8,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Stannane, tetrapropyl-",2176-98-9,16585,tetrapropylstannane,CCC[Sn](CCC)(CCC)CCC,"InChI=1S/4C3H7.Sn/c4*1-3-2;/h4*1,3H2,2H3;",OIQCWAIEHVRCCG-UHFFFAOYSA-N,C12H28Sn,291.06,292.121303,,0,80,0,0,0,8,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Boric acid, tris(2-ethylhexyl) ester",2467-13-2,17177,tris(2-ethylhexyl) borate,B(OCC(CC)CCCC)(OCC(CC)CCCC)OCC(CC)CCCC,"InChI=1S/C24H51BO3/c1-7-13-16-22(10-4)19-26-25(27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3",DLVYHYUFIXLWKV-UHFFFAOYSA-N,C24H51BO3,398.5,398.3931257,,27.7,267,0,0,3,21,28,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphorothioic acid, O,O-diethyl S-(2-(ethylsulfonyl)ethyl) ester",2496-91-5,17239,1-diethoxyphosphorylsulfanyl-2-ethylsulfonylethane,CCOP(=O)(OCC)SCCS(=O)(=O)CC,"InChI=1S/C8H19O5PS2/c1-4-12-14(9,13-5-2)15-7-8-16(10,11)6-3/h4-8H2,1-3H3",VMXCTQSDRPKAOC-UHFFFAOYSA-N,C8H19O5PS2,290.3,290.0411531,0.1,103,312,0,0,6,9,16,,,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Plumbane, acetoxytriethyl-",2587-81-7,16683282,triethylplumbyl acetate,CC[Pb](CC)(CC)OC(=O)C,"InChI=1S/C2H4O2.3C2H5.Pb/c1-2(3)4;3*1-2;/h1H3,(H,3,4);3*1H2,2H3;/q;;;;+1/p-1",ZFNWDVUSZNZYLD-UHFFFAOYSA-M,C8H18O2Pb,353,354.10733,,26.3,122,0,0,2,5,11,,,1,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Phosphorodithioic acid, S-(2-(ethylsulfinyl)ethyl) O,O-dimethyl ester",2703-37-9,75917,2-ethylsulfinylethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane,CCS(=O)CCSP(=S)(OC)OC,"InChI=1S/C6H15O3PS3/c1-4-13(7)6-5-12-10(11,8-2)9-3/h4-6H2,1-3H3",UILALIJMTSYZSE-UHFFFAOYSA-N,C6H15O3PS3,262.4,261.9920949,1,112,201,0,0,6,7,13,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ammonium, (3-cyano-2-hydroxypropyl)trimethyl-, chloride, L-",2788-28-5,200829,[(2R)-3-cyano-2-hydroxypropyl]-trimethylazanium chloride,C[N+](C)(C)C[C@@H](CC#N)O.[Cl-],"InChI=1S/C7H15N2O.ClH/c1-9(2,3)6-7(10)4-5-8;/h7,10H,4,6H2,1-3H3;1H/q+1;/p-1/t7-;/m1./s1",ZOYKKWXSDFNANU-OGFXRTJISA-M,C7H15ClN2O,178.66,178.0872908,,44,139,0,1,3,3,11,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,6-Heptadien-4-ol",2883-45-6,17902,"hepta-1,6-dien-4-ol",C=CCC(CC=C)O,"InChI=1S/C7H12O/c1-3-5-7(8)6-4-2/h3-4,7-8H,1-2,5-6H2",UTGFOWQYZKTZTN-UHFFFAOYSA-N,C7H12O,112.17,112.088815,1.8,20.2,66,0,1,1,4,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,4-Butanediol, 2-methyl-",2938-98-9,18053,"2-methylbutane-1,4-diol",CC(CCO)CO,"InChI=1S/C5H12O2/c1-5(4-7)2-3-6/h5-7H,2-4H2,1H3",MWCBGWLCXSUTHK-UHFFFAOYSA-N,C5H12O2,104.15,104.0837296,0,40.5,37,0,2,2,3,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 1,3-diisopropyl-2-thio-",2986-17-6,2758386,"1,3-di(propan-2-yl)thiourea",CC(C)NC(=S)NC(C)C,"InChI=1S/C7H16N2S/c1-5(2)8-7(10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)",KREOCUNMMFZOOS-UHFFFAOYSA-N,C7H16N2S,160.28,160.1034197,1.6,56.2,98,0,2,1,2,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamic chloride, bis(2-chloroethyl)-",2998-56-3,76346,"N,N-bis(2-chloroethyl)carbamoyl chloride",C(CCl)N(CCCl)C(=O)Cl,InChI=1S/C5H8Cl3NO/c6-1-3-9(4-2-7)5(8)10/h1-4H2,JAHXVUPWHXMPLG-UHFFFAOYSA-N,C5H8Cl3NO,204.48,202.967147,2,20.3,103,0,0,1,4,10,,,0,0,0,0,0,1,0,1,0,0,0,0,0,1,0,0,1,0,0,0
"Ammonium, (2-hydroxy-3-chloropropyl)octadecyldimethyl-, chloride",3001-63-6,102919,(3-chloro-2-hydroxypropyl)-dimethyl-octadecylazanium chloride,CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(CCl)O.[Cl-],"InChI=1S/C23H49ClNO.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(2,3)22-23(26)21-24;/h23,26H,4-22H2,1-3H3;1H/q+1;/p-1",QIKIJFUVHGOQOK-UHFFFAOYSA-M,C23H49Cl2NO,426.5,425.3191206,,20.2,283,0,1,2,20,27,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Phosphorous acid, trioctyl ester",3028-88-4,76413,trioctyl phosphite,CCCCCCCCOP(OCCCCCCCC)OCCCCCCCC,"InChI=1S/C24H51O3P/c1-4-7-10-13-16-19-22-25-28(26-23-20-17-14-11-8-5-2)27-24-21-18-15-12-9-6-3/h4-24H2,1-3H3",QOQNJVLFFRMJTQ-UHFFFAOYSA-N,C24H51O3P,418.6,418.3575825,10.3,27.7,234,0,0,3,24,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
Nonaethylene glycol,3386-18-3,4867,2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,"InChI=1S/C18H38O10/c19-1-3-21-5-7-23-9-11-25-13-15-27-17-18-28-16-14-26-12-10-24-8-6-22-4-2-20/h19-20H,1-18H2",YZUUTMGDONTGTN-UHFFFAOYSA-N,C18H38O10,414.5,414.2464974,-2.3,114,245,0,2,10,25,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pseudourea, 2-dodecyl-2-thio-, hydrobromide",3545-42-4,77086,dodecyl carbamimidothioate;hydrobromide,CCCCCCCCCCCCSC(=N)N.Br,"InChI=1S/C13H28N2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;/h2-12H2,1H3,(H3,14,15);1H",WFERTJGZWKWNMF-UHFFFAOYSA-N,C13H29BrN2S,325.35,324.12348,,75.2,160,0,3,2,12,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbamic acid, diethyl-, ethyl ester",3553-80-8,19083,"ethyl N,N-diethylcarbamate",CCN(CC)C(=O)OCC,"InChI=1S/C7H15NO2/c1-4-8(5-2)7(9)10-6-3/h4-6H2,1-3H3",VAJCYQHLYBTSHG-UHFFFAOYSA-N,C7H15NO2,145.2,145.1102787,1.9,29.5,99,0,0,2,4,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Pyruvic acid, chloro-",3681-17-2,151137,3-chloro-2-oxopropanoic acid,C(C(=O)C(=O)O)Cl,"InChI=1S/C3H3ClO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)",RCWFNCXDFSOVLG-UHFFFAOYSA-N,C3H3ClO3,122.51,121.9770716,0.3,54.4,98,0,1,3,2,7,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"Carbamic acid, dimethyldithio-, methyl ester",3735-92-0,19526,"methyl N,N-dimethylcarbamodithioate",CN(C)C(=S)SC,InChI=1S/C4H9NS2/c1-5(2)4(6)7-3/h1-3H3,NBBZMDUHKWRYSZ-UHFFFAOYSA-N,C4H9NS2,135.3,135.0176416,1.3,60.6,70,0,0,2,1,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Guanidine, butyl-, sulfate (2:1)",3867-74-1,199248,bis(2-butylguanidine);sulfuric acid,CCCCN=C(N)N.CCCCN=C(N)N.OS(=O)(=O)O,"InChI=1S/2C5H13N3.H2O4S/c2*1-2-3-4-8-5(6)7;1-5(2,3)4/h2*2-4H2,1H3,(H4,6,7,8);(H2,1,2,3,4)",ADDDBBDDYLHOFN-UHFFFAOYSA-N,C10H28N6O4S,328.44,328.1892746,,212,155,0,6,6,6,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Alanine, 3-((2-carboxyethyl)thio)-",4033-46-9,23618202,(2R)-2-amino-3-(2-carboxyethylsulfanyl)propanoic acid,C(CSC[C@@H](C(=O)O)N)C(=O)O,"InChI=1S/C6H11NO4S/c7-4(6(10)11)3-12-2-1-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1",FBPINGSGHKXIQA-BYPYZUCNSA-N,C6H11NO4S,193.22,193.040879,-3.2,126,173,0,3,6,6,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hexanoic acid, 6-chloro-",4224-62-8,20209,6-chlorohexanoic acid,C(CCC(=O)O)CCCl,"InChI=1S/C6H11ClO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)",XWWKSLXUVZVGSP-UHFFFAOYSA-N,C6H11ClO2,150.6,150.0447573,0.9,37.3,83,0,1,2,5,9,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1
"Acrylic acid, 3-chloro-, sodium salt, (Z)-",4312-97-4,23665578,sodium (Z)-3-chloroprop-2-enoate,C(=C\Cl)\C(=O)[O-].[Na+],"InChI=1S/C3H3ClO2.Na/c4-2-1-3(5)6;/h1-2H,(H,5,6);/q;+1/p-1/b2-1-;",BLEGCUTZRFFIPZ-ODZAUARKSA-M,C3H2ClNaO2,128.49,127.9641013,,40.1,81,0,0,2,1,7,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Butene, 2-chloro-",4461-41-0,5463022,(Z)-2-chlorobut-2-ene,C/C=C(/C)\Cl,"InChI=1S/C4H7Cl/c1-3-4(2)5/h3H,1-2H3/b4-3-",DSDHFHLZEFQSFM-ARJAWSKDSA-N,C4H7Cl,90.55,90.0236279,2.1,0,45,0,0,0,0,5,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Crotonamide, 3-methyl-",4479-75-8,20560,3-methylbut-2-enamide,CC(=CC(=O)N)C,"InChI=1S/C5H9NO/c1-4(2)3-5(6)7/h3H,1-2H3,(H2,6,7)",WHNPOQXWAMXPTA-UHFFFAOYSA-N,C5H9NO,99.13,99.06841391,0.6,43.1,101,0,1,1,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Diethylamine, 2-chloro-, hydrochloride",4535-87-9,13014036,2-chloro-N-ethylethanamine;hydrochloride,CCNCCCl.Cl,"InChI=1S/C4H10ClN.ClH/c1-2-6-4-3-5;/h6H,2-4H2,1H3;1H",ZNPQLXDWQPMSMR-UHFFFAOYSA-N,C4H11Cl2N,144.04,143.0268547,,12,23,0,2,1,3,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butylamine, N-ethyl-N-nitroso-",4549-44-4,20680,N-butyl-N-ethylnitrous amide,CCCCN(CC)N=O,"InChI=1S/C6H14N2O/c1-3-5-6-8(4-2)7-9/h3-6H2,1-2H3",ZGMCNGHHUQZNIH-UHFFFAOYSA-N,C6H14N2O,130.19,130.1106131,1.7,32.7,75,0,0,3,4,9,93 °C,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propane, 1,2,3-trimercapto-",4756-13-2,78495,"propane-1,2,3-trithiol",C(C(CS)S)S,"InChI=1S/C3H8S3/c4-1-3(6)2-5/h3-6H,1-2H2",UWHMFGKZAYHMDJ-UHFFFAOYSA-N,C3H8S3,140.3,139.9788138,1.2,3,25,0,3,3,2,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Magnesium, methoxy-, monomethyl carbonate",4861-79-4,78578,magnesium;methanolate;methyl carbonate,C[O-].COC(=O)[O-].[Mg+2],"InChI=1S/C2H4O3.CH3O.Mg/c1-5-2(3)4;1-2;/h1H3,(H,3,4);1H3;/q;-1;+2/p-1",PNVKCUSCADAAMP-UHFFFAOYSA-M,C3H6MgO4,130.38,130.0116504,,72.4,46,0,0,4,2,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1-Butene, 3-chloro-2-methyl-",5166-35-8,21243,3-chloro-2-methylbut-1-ene,CC(C(=C)C)Cl,"InChI=1S/C5H9Cl/c1-4(2)5(3)6/h5H,1H2,2-3H3",UCUDJURUNUQAHQ-UHFFFAOYSA-N,C5H9Cl,104.58,104.039278,2.5,0,57,0,0,0,1,6,,,0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,1
"Ammonium, pentamethylenebis(trimethyl-, diiodide",5282-80-4,21353,trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide,C[N+](C)(C)CCCCC[N+](C)(C)C.[I-].[I-],"InChI=1S/C11H28N2.2HI/c1-12(2,3)10-8-7-9-11-13(4,5)6;;/h7-11H2,1-6H3;2*1H/q+2;;/p-2",SRFSMBZBBSVMKO-UHFFFAOYSA-L,C11H28I2N2,442.16,442.03419,,0,112,0,0,2,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-Alanine, 3-((3-methyl-2-butenyl)thio)-",5287-46-7,21359,(2R)-2-amino-3-(3-methylbut-2-enylsulfanyl)propanoic acid,CC(=CCSC[C@@H](C(=O)O)N)C,"InChI=1S/C8H15NO2S/c1-6(2)3-4-12-5-7(9)8(10)11/h3,7H,4-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1",ULHWZNASVJIOEM-ZETCQYMHSA-N,C8H15NO2S,189.28,189.0823499,-1.2,88.6,176,0,2,4,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiocyanic acid, decyl ester",5349-20-2,79301,decyl thiocyanate,CCCCCCCCCCSC#N,"InChI=1S/C11H21NS/c1-2-3-4-5-6-7-8-9-10-13-11-12/h2-10H2,1H3",SSHHEEVAWJSEPF-UHFFFAOYSA-N,C11H21NS,199.36,199.1394709,5.4,49.1,136,0,0,2,9,13,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanol, 2-bromo-2-nitro-",5437-60-5,95508,2-bromo-2-nitroethanol,C(C([N+](=O)[O-])Br)O,"InChI=1S/C2H4BrNO3/c3-2(1-5)4(6)7/h2,5H,1H2",OGGHUMVMTWCANK-UHFFFAOYSA-N,C2H4BrNO3,169.96,168.93746,0.2,66.1,69,0,1,3,1,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Propene, 3,3-dimethoxy-",6044-68-4,80145,"3,3-dimethoxyprop-1-ene",COC(C=C)OC,"InChI=1S/C5H10O2/c1-4-5(6-2)7-3/h4-5H,1H2,2-3H3",OBWGMYALGNDUNM-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,0.7,18.5,48,0,0,2,3,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Propionaldehyde, 2-methoxy-",6142-38-7,110788,2-methoxypropanal,CC(C=O)OC,"InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3",HZVKHMQXJYFYRF-UHFFFAOYSA-N,C4H8O2,88.11,88.05242949,0,26.3,42,0,0,2,2,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Phosphonic acid, 1,2-ethanediylbis-",6145-31-9,80247,2-phosphonoethylphosphonic acid,C(CP(=O)(O)O)P(=O)(O)O,"InChI=1S/C2H8O6P2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H2,3,4,5)(H2,6,7,8)",XYJLPCAKKYOLGU-UHFFFAOYSA-N,C2H8O6P2,190.03,189.979612,-3.4,115,164,0,4,6,3,10,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"Silane, ((2-ethoxycarbonyl)ethyl)triethoxy-",6439-39-0,80909,ethyl 3-triethoxysilylpropanoate,CCOC(=O)CC[Si](OCC)(OCC)OCC,"InChI=1S/C11H24O5Si/c1-5-13-11(12)9-10-17(14-6-2,15-7-3)16-8-4/h5-10H2,1-4H3",FSTSIHBJBSLSQV-UHFFFAOYSA-N,C11H24O5Si,264.39,264.1393004,,54,193,0,0,5,11,17,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1
"Ammonium, (3-carboxyallyl)trimethyl-, chloride",6538-82-5,6444550,[(E)-3-carboxyprop-2-enyl]-trimethylazanium chloride,C[N+](C)(C)C/C=C/C(=O)O.[Cl-],"InChI=1S/C7H13NO2.ClH/c1-8(2,3)6-4-5-7(9)10;/h4-5H,6H2,1-3H3;1H/b5-4+;",PUKNFWRLBQXPFL-FXRZFVDSSA-N,C7H14ClNO2,179.64,179.0713064,,37.3,144,0,1,3,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Alanine, 3-(methylsulfinyl)-, L-, pyrolyzate",6853-87-8,182092,(2R)-2-amino-3-methylsulfinylpropanoic acid,CS(=O)C[C@@H](C(=O)O)N,"InChI=1S/C4H9NO3S/c1-9(8)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-,9?/m0/s1",ZZLHPCSGGOGHFW-BUKSALPDSA-N,C4H9NO3S,151.19,151.0303143,-4.3,99.6,136,0,2,5,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Guanidine, 1-(2-hydroxyethyl)-1-methyl-, dihydrogen phosphate (ester)",6903-79-3,23342,2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate,CN(CCOP(=O)(O)O)C(=N)N,"InChI=1S/C4H12N3O4P/c1-7(4(5)6)2-3-11-12(8,9)10/h2-3H2,1H3,(H3,5,6)(H2,8,9,10)",FOIPWTMKYXWFGC-UHFFFAOYSA-N,C4H12N3O4P,197.13,197.0565429,-2.5,120,202,0,4,5,5,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,6,8,10,12,14,16,18-Eicosanonaenedioic acid, 4,8,13,17-tetramethyl-, monomethyl ester, (2E,4Z,6E,8E,10E,12E,14E,16E,18E)-",6983-79-5,5281226,"(2E,4E,6E,8E,10E,12E,14E,16Z,18E)-20-methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid",C/C(=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C(=O)OC)/C=C/C=C(\C)/C=C/C(=O)O,"InChI=1S/C25H30O4/c1-20(12-8-14-22(3)16-18-24(26)27)10-6-7-11-21(2)13-9-15-23(4)17-19-25(28)29-5/h6-19H,1-5H3,(H,26,27)/b7-6+,12-8+,13-9+,18-16+,19-17+,20-10+,21-11+,22-14+,23-15-",RAFGELQLHMBRHD-SLEZCNMESA-N,C25H30O4,394.5,394.2144094,7.5,63.6,823,0,1,4,11,29,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Glycine, N,N-dimethyl-, methyl ester",6/3/48,81569,methyl 2-(dimethylamino)acetate,CN(C)CC(=O)OC,"InChI=1S/C5H11NO2/c1-6(2)4-5(7)8-3/h4H2,1-3H3",LRZFEBJUJIQVDQ-UHFFFAOYSA-N,C5H11NO2,117.15,117.0789786,0.2,29.5,80,0,0,3,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Galactaric acid, compd. with N,1,5-trimethyl-4-hexenylamine (1:2)",7492-31-1,15605556,"bis(N,6-dimethylhept-5-en-2-amine);(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid",CC(CCC=C(C)C)NC.CC(CCC=C(C)C)NC.[C@@H]([C@@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)O)O)O,"InChI=1S/2C9H19N.C6H10O8/c2*1-8(2)6-5-7-9(3)10-4;7-1(3(9)5(11)12)2(8)4(10)6(13)14/h2*6,9-10H,5,7H2,1-4H3;1-4,7-10H,(H,11,12)(H,13,14)/t;;1-,2+,3+,4-",WSXKZIDINJKWPM-IBGZLQDMSA-N,C24H48N2O8,492.6,492.3410665,,180,303,0,8,10,13,34,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
Isopentyl sulfoxide,7726-23-0,24407,3-methyl-1-(3-methylbutylsulfinyl)butane,CC(C)CCS(=O)CCC(C)C,"InChI=1S/C10H22OS/c1-9(2)5-7-12(11)8-6-10(3)4/h9-10H,5-8H2,1-4H3",WXYDKGMJJFFORR-UHFFFAOYSA-N,C10H22OS,190.35,190.1391365,2.6,36.3,116,0,0,2,6,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Acrylic acid, 2-(hydroxymethyl)-, ethyl ester",10029-04-6,24827,ethyl 2-(hydroxymethyl)prop-2-enoate,CCOC(=O)C(=C)CO,"InChI=1S/C6H10O3/c1-3-9-6(8)5(2)4-7/h7H,2-4H2,1H3",SYGAXBISYRORDR-UHFFFAOYSA-N,C6H10O3,130.14,130.0629942,0.2,46.5,117,0,1,3,4,9,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Butyric acid, 4-amino-, methyl ester, hydrochloride",13031-60-2,2756383,methyl 4-aminobutanoate;hydrochloride,COC(=O)CCCN.Cl,"InChI=1S/C5H11NO2.ClH/c1-8-5(7)3-2-4-6;/h2-4,6H2,1H3;1H",WPGPRLVPWACBHW-UHFFFAOYSA-N,C5H12ClNO2,153.61,153.0556563,,52.3,72,0,2,3,4,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ether, methyl 2,2,2-trifluoro-1-(trifluoromethyl)ethyl",13171-18-1,25749,"1,1,1,3,3,3-hexafluoro-2-methoxypropane",COC(C(F)(F)F)C(F)(F)F,"InChI=1S/C4H4F6O/c1-11-2(3(5,6)7)4(8,9)10/h2H,1H3",VNXYDFNVQBICRO-UHFFFAOYSA-N,C4H4F6O,182.06,182.0166337,2.4,9.2,110,0,0,7,1,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"Acetic acid, cyano-, isopropyl ester",13361-30-3,25917,propan-2-yl 2-cyanoacetate,CC(C)OC(=O)CC#N,"InChI=1S/C6H9NO2/c1-5(2)9-6(8)3-4-7/h5H,3H2,1-2H3",BESQLCCRQYTQQI-UHFFFAOYSA-N,C6H9NO2,127.14,127.0633285,0.8,50.1,142,0,0,3,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isothiocyanic acid, 2-chloroallyl ester",14214-31-4,26575,2-chloro-3-isothiocyanatoprop-1-ene,C=C(CN=C=S)Cl,InChI=1S/C4H4ClNS/c1-4(5)2-6-3-7/h1-2H2,DGBFPSVUFUDQNA-UHFFFAOYSA-N,C4H4ClNS,133.6,132.975298,2.8,44.5,115,0,0,2,2,7,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"1-Propanol, 2,3,3,3-tetrafluoro-2-(1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy)-",14548-74-4,2736150,"2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propan-1-ol",C(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)O,"InChI=1S/C9H3F17O3/c10-2(1-27,5(14,15)16)28-9(25,26)4(13,7(20,21)22)29-8(23,24)3(11,12)6(17,18)19/h27H,1H2",URIUSGOUQUQAMG-UHFFFAOYSA-N,C9H3F17O3,482.09,481.9810727,5.4,38.7,576,0,1,20,7,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Arsenic acid, calcium salt (1:1)",15195-00-3,203784,calcium hydrogen arsorate,O[As](=O)([O-])[O-].[Ca+2],"InChI=1S/AsH3O4.Ca/c2-1(3,4)5;/h(H3,2,3,4,5);/q;+2/p-2",RTFOOERBKBOMSV-UHFFFAOYSA-L,AsCaHO4,180.01,179.871669,,83.4,46,0,1,4,0,6,,,1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanethioamide, 2-methoxy-",15536-75-1,20323369,2-methoxyethanethioamide,COCC(=S)N,"InChI=1S/C3H7NOS/c1-5-2-3(4)6/h2H2,1H3,(H2,4,6)",DGESBPSZKAQEOE-UHFFFAOYSA-N,C3H7NOS,105.16,105.024835,-0.4,67.3,54,0,1,2,2,6,,,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Propene, 1-chloro- (E)-",16136-85-9,5284364,(E)-1-chloroprop-1-ene,C/C=C/Cl,"InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3/b3-2+",OWXJKYNZGFSVRC-NSCUHMNNSA-N,C3H5Cl,76.52,76.0079779,1.7,0,22,0,0,0,0,4,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Phosphorothioic acid, O,O-dimethyl S-(2-(ethylsulfonyl)ethyl) ester",17040-19-6,28213,1-dimethoxyphosphorylsulfanyl-2-ethylsulfonylethane,CCS(=O)(=O)CCSP(=O)(OC)OC,"InChI=1S/C6H15O5PS2/c1-4-14(8,9)6-5-13-12(7,10-2)11-3/h4-6H2,1-3H3",PZIRJMYRYORVIT-UHFFFAOYSA-N,C6H15O5PS2,262.3,262.0098529,-0.3,103,286,0,0,6,7,14,,,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butanoic acid, 4-isothiocyanato-, ethyl ester",17126-65-7,123372,ethyl 4-isothiocyanatobutanoate,CCOC(=O)CCCN=C=S,"InChI=1S/C7H11NO2S/c1-2-10-7(9)4-3-5-8-6-11/h2-5H2,1H3",FAGABVVHWPYGBK-UHFFFAOYSA-N,C7H11NO2S,173.24,173.0510498,2.1,70.8,164,0,0,4,6,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propylamine, 3-(trimethylsilyl)-",18187-14-9,87498,3-trimethylsilylpropan-1-amine,C[Si](C)(C)CCCN,"InChI=1S/C6H17NSi/c1-8(2,3)6-4-5-7/h4-7H2,1-3H3",PFRLCKFENIXNMM-UHFFFAOYSA-N,C6H17NSi,131.29,131.1130261,,26,56,0,1,1,3,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, N-methyl-N-(2-propynyl)-",18341-31-6,29033,N-methyl-N-prop-2-ynylacetamide,CC(=O)N(C)CC#C,"InChI=1S/C6H9NO/c1-4-5-7(3)6(2)8/h1H,5H2,2-3H3",VYAMKMQYVSEZSB-UHFFFAOYSA-N,C6H9NO,111.14,111.0684139,-0.2,20.3,131,0,0,1,1,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-Propanol, 2-ethoxy-",19089-47-5,29420,2-ethoxypropan-1-ol,CCOC(C)CO,"InChI=1S/C5H12O2/c1-3-7-5(2)4-6/h5-6H,3-4H2,1-2H3",DEDUBNVYPMOFDR-UHFFFAOYSA-N,C5H12O2,104.15,104.0837296,0.2,29.5,37,0,1,2,3,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Pentanoic acid, 2-ethyl-",20225-24-5,30020,2-ethylpentanoic acid,CCCC(CC)C(=O)O,"InChI=1S/C7H14O2/c1-3-5-6(4-2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)",BAZMYXGARXYAEQ-UHFFFAOYSA-N,C7H14O2,130.18,130.0993797,2.2,37.3,88,0,1,2,4,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-Butene, 2-bromo-1,1,1,4,4,4-hexafluoro-, (E)-",20591-32-6,5366001,"(Z)-2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene",C(=C(/C(F)(F)F)\Br)\C(F)(F)F,"InChI=1S/C4HBrF6/c5-2(4(9,10)11)1-3(6,7)8/h1H/b2-1-",KSWYRKGFPCBMHX-UPHRSURJSA-N,C4HBrF6,242.94,241.91658,3.2,0,162,0,0,6,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Manganese chloride, dihydrate",20603-88-7,30200,manganese(2+);dichloride;dihydrate,O.O.[Cl-].[Cl-].[Mn+2],InChI=1S/2ClH.Mn.2H2O/h2*1H;;2*1H2/q;;+2;;/p-2,BEYCFZBNRLPHEP-UHFFFAOYSA-L,Cl2H4MnO2,161.87,160.896878,,2,0,0,2,4,0,5,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0
"Tellurium, tetrakis(diethyldithiocarbamato)-",20941-65-5,519829,"[tris(diethylcarbamothioylsulfanyl)-lambda4-tellanyl] N,N-diethylcarbamodithioate",CCN(CC)C(=S)S[Te](SC(=S)N(CC)CC)(SC(=S)N(CC)CC)SC(=S)N(CC)CC,"InChI=1S/C20H40N4S8Te/c1-9-21(10-2)17(25)29-33(30-18(26)22(11-3)12-4,31-19(27)23(13-5)14-6)32-20(28)24(15-7)16-8/h9-16H2,1-8H3",DADTZHAWDPZVFJ-UHFFFAOYSA-N,C20H40N4S8Te,720.7,722.0080894,,243,526,0,0,8,16,33,,,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamodithioic acid, (2-aminoethyl)-",20950-84-9,3246302,2-aminoethylcarbamodithioic acid,C(CNC(=S)S)N,"InChI=1S/C3H8N2S2/c4-1-2-5-3(6)7/h1-2,4H2,(H2,5,6,7)",NJGRNRAXMBFJJY-UHFFFAOYSA-N,C3H8N2S2,136.24,136.0128906,-0.2,71.1,64,0,3,3,2,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Butanethiol, 4-amino-",21100-03-8,30486,4-aminobutane-1-thiol,C(CCS)CN,"InChI=1S/C4H11NS/c5-3-1-2-4-6/h6H,1-5H2",RIRRYXTXJAZPMP-UHFFFAOYSA-N,C4H11NS,105.2,105.0612205,0.3,27,23,0,2,2,3,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propanoic acid, 2-amino-3-phosphono-, (2R)-",23052-80-4,177120,(2R)-2-amino-3-phosphonopropanoic acid,C([C@@H](C(=O)O)N)P(=O)(O)O,"InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1",LBTABPSJONFLPO-REOHCLBHSA-N,C3H8NO5P,169.07,169.0140094,-5.2,121,174,0,4,6,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Allothreonine, D-",24830-94-2,90624,"(2R,3R)-2-amino-3-hydroxybutanoic acid",C[C@H]([C@H](C(=O)O)N)O,"InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m1/s1",AYFVYJQAPQTCCC-PWNYCUMCSA-N,C4H9NO3,119.12,119.0582431,-2.9,83.6,93,0,3,4,2,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Butanamine, N-nitroso-N-propyl-",25413-64-3,32965,N-butyl-N-propylnitrous amide,CCCCN(CCC)N=O,"InChI=1S/C7H16N2O/c1-3-5-7-9(8-10)6-4-2/h3-7H2,1-2H3",SVTBQUKRCVPUHS-UHFFFAOYSA-N,C7H16N2O,144.21,144.1262631,2.3,32.7,85,0,0,3,5,10,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethene, 1,1'-(oxybis(methylenesulfonyl))bis-",26750-50-5,94374,1-(ethenylsulfonylmethoxymethylsulfonyl)ethene,C=CS(=O)(=O)COCS(=O)(=O)C=C,"InChI=1S/C6H10O5S2/c1-3-12(7,8)5-11-6-13(9,10)4-2/h3-4H,1-2,5-6H2",KAMCBFNNGGVPPW-UHFFFAOYSA-N,C6H10O5S2,226.3,225.9969658,0,94.3,326,0,0,5,6,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanol, 2-(methylnitrosoamino)-",26921-68-6,33646,N-(2-hydroxyethyl)-N-methylnitrous amide,CN(CCO)N=O,"InChI=1S/C3H8N2O2/c1-5(4-7)2-3-6/h6H,2-3H2,1H3",GFOKXZBYAVRDMO-UHFFFAOYSA-N,C3H8N2O2,104.11,104.0585775,-0.5,52.9,56,0,1,4,2,7,,,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Ethene, dichlorodifluoro-",27156-03-2,3032334,"(E)-1,2-dichloro-1,2-difluoroethene",C(=C(/F)\Cl)(\F)/Cl,InChI=1S/C2Cl2F2/c3-1(5)2(4)6/b2-1+,UPVJEODAZWTJKZ-OWOJBTEDSA-N,C2Cl2F2,132.92,131.9345117,2.4,0,67,0,0,2,0,6,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Octatriene, dimethyl-",29714-87-2,6434062,"(3E,5E)-3,7-dimethylocta-1,3,5-triene",CC(C)/C=C/C=C(\C)/C=C,"InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-9H,1H2,2-4H3/b7-6+,10-8+",PMRMCTRIVCIICU-LQPGMRSMSA-N,C10H16,136.23,136.1252005,4.1,0,147,0,0,0,3,10,,,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-Propanamine, N-methyl-N-nitroso-",30533-08-5,92271,N-methyl-N-propan-2-ylnitrous amide,CC(C)N(C)N=O,"InChI=1S/C4H10N2O/c1-4(2)6(3)5-7/h4H,1-3H3",KQDYNYCCEGQPTN-UHFFFAOYSA-N,C4H10N2O,102.14,102.0793129,1,32.7,62,0,0,3,1,7,,,0,1,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Methanearsonic acid, iron salt",33972-75-7,161792,iron(3+);methyl-dioxido-oxo-lambda5-arsane,C[As](=O)([O-])[O-].[Fe+3],"InChI=1S/CH5AsO3.Fe/c1-2(3,4)5;/h1H3,(H2,3,4,5);/q;+3/p-2",USKYFYZTLFGKMC-UHFFFAOYSA-L,CH3AsFeO3+,193.8,193.864749,,63.2,49,1,0,3,0,6,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"L-Alanine, gamma-(hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-",35597-43-4,5462314,(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoyl]amino]propanoyl]amino]propanoic acid,C[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCP(=O)(C)O)N,"InChI=1S/C11H22N3O6P/c1-6(9(15)14-7(2)11(17)18)13-10(16)8(12)4-5-21(3,19)20/h6-8H,4-5,12H2,1-3H3,(H,13,16)(H,14,15)(H,17,18)(H,19,20)/t6-,7-,8-/m0/s1",GINJFDRNADDBIN-FXQIFTODSA-N,C11H22N3O6P,323.28,323.1246224,-4.9,159,455,0,5,7,8,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Zincate(2-), bis(L-aspartato(2-)-N,O(sup 1))-, dihydrogen, (T-4)-",36393-20-1,56841018,zinc bis((2S)-2-amino-4-hydroxy-4-oxobutanoate),C([C@@H](C(=O)[O-])N)C(=O)O.C([C@@H](C(=O)[O-])N)C(=O)O.[Zn+2],"InChI=1S/2C4H7NO4.Zn/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);/q;;+2/p-2/t2*2-;/m00./s1",POEVDIARYKIEGF-CEOVSRFSSA-L,C8H12N2O8Zn,329.6,327.988507,,207,127,0,4,10,4,19,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Phosphorodithioic acid, S-2-(isopropylthio)ethyl O,O-dimethyl ester",36614-38-7,37490,dimethoxy-(2-propan-2-ylsulfanylethylsulfanyl)-sulfanylidene-lambda5-phosphane,CC(C)SCCSP(=S)(OC)OC,"InChI=1S/C7H17O2PS3/c1-7(2)12-5-6-13-10(11,8-3)9-4/h7H,5-6H2,1-4H3",SPCNPOWOBZQWJK-UHFFFAOYSA-N,C7H17O2PS3,260.4,260.0128303,3.1,101,167,0,0,5,7,13,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hydrazinecarbothioamide, 2,2'-methylenebis-",39603-48-0,3037919,[(2-carbamothioylhydrazinyl)methylamino]thiourea,C(NNC(=S)N)NNC(=S)N,"InChI=1S/C3H10N6S2/c4-2(10)8-6-1-7-9-3(5)11/h6-7H,1H2,(H3,4,8,10)(H3,5,9,11)",JKSKMVKDSOOOFA-UHFFFAOYSA-N,C3H10N6S2,194.3,194.0408367,-1.5,164,131,0,6,4,4,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Nonen-1-ol, (2Z)-",41453-56-9,5365027,(Z)-non-2-en-1-ol,CCCCCC/C=C\CO,"InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h7-8,10H,2-6,9H2,1H3/b8-7-",NSSALFVIQPAIQK-FPLPWBNLSA-N,C9H18O,142.24,142.1357652,3,20.2,76,0,1,1,6,10,,96.00 °C. @ 10.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Ammonium, dodecyldimethyl(2-hydroxy-3-chloropropyl)-, chloride",41892-01-7,39044,(3-chloro-2-hydroxypropyl)-dodecyl-dimethylazanium chloride,CCCCCCCCCCCC[N+](C)(C)CC(CCl)O.[Cl-],"InChI=1S/C17H37ClNO.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-19(2,3)16-17(20)15-18;/h17,20H,4-16H2,1-3H3;1H/q+1;/p-1",JTTBZVHEXMQSMM-UHFFFAOYSA-M,C17H37Cl2NO,342.4,341.2252202,,20.2,209,0,1,2,14,21,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-Butanol, 4-(propylnitrosamino)-",51938-12-6,40184,N-(4-hydroxybutyl)-N-propylnitrous amide,CCCN(CCCCO)N=O,"InChI=1S/C7H16N2O2/c1-2-5-9(8-11)6-3-4-7-10/h10H,2-7H2,1H3",UWWNOBIHFJLOSY-UHFFFAOYSA-N,C7H16N2O2,160.21,160.1211778,0.5,52.9,98,0,1,4,6,11,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DL-Homocysteine, N-acetyl-",55585-92-7,108348,2-acetamido-4-sulfanylbutanoic acid,CC(=O)NC(CCS)C(=O)O,"InChI=1S/C6H11NO3S/c1-4(8)7-5(2-3-11)6(9)10/h5,11H,2-3H2,1H3,(H,7,8)(H,9,10)",REYLLNRLWCBKCM-UHFFFAOYSA-N,C6H11NO3S,177.22,177.0459644,-0.3,67.4,160,0,3,4,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propanol, 1,3-diazido-",57011-48-0,151367,"1,3-diazidopropan-2-ol",C(C(CN=[N+]=[N-])O)N=[N+]=[N-],"InChI=1S/C3H6N6O/c4-8-6-1-3(10)2-7-9-5/h3,10H,1-2H2",MNVPEHHHGCEGFZ-UHFFFAOYSA-N,C3H6N6O,142.12,142.0603088,1.4,49,157,0,1,5,4,10,,,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1,1,0,1,0
"Ethane, 2-(difluoromethoxy)-1,1,1,2-tetrafluoro-, (+-)-",57041-67-5,42113,"2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane",C(C(F)(F)F)(OC(F)F)F,"InChI=1S/C3H2F6O/c4-1(3(7,8)9)10-2(5)6/h1-2H",DPYMFVXJLLWWEU-UHFFFAOYSA-N,C3H2F6O,168.04,168.0009837,2.6,9.2,97,0,0,7,2,10,,23.5 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,1
"Guanidine, 1,1'-(iminobis(octamethylene))di-, triacetate",57520-17-9,162366,acetic acid;2-[8-[8-(diaminomethylideneamino)octylamino]octyl]guanidine,CC(=O)O.CC(=O)O.CC(=O)O.C(CCCCN=C(N)N)CCCNCCCCCCCCN=C(N)N,"InChI=1S/C18H41N7.3C2H4O2/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22;3*1-2(3)4/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25);3*1H3,(H,3,4)",FKWDSATZSMJRLC-UHFFFAOYSA-N,C24H53N7O6,535.7,535.4057324,,253,333,0,8,9,18,37,,,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Propene, 2-(fluoromethoxy)-1,1,3,3,3-pentafluoro-",58109-34-5,105015,"1,1,3,3,3-pentafluoro-2-(fluoromethoxy)prop-1-ene",C(OC(=C(F)F)C(F)(F)F)F,"InChI=1S/C4H2F6O/c5-1-11-2(3(6)7)4(8,9)10/h1H2",VMCHRPIQINOPJR-UHFFFAOYSA-N,C4H2F6O,180.05,180.0009837,2.2,9.2,154,0,0,7,2,11,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"L-Arginine, N(sup 2)-(1-oxododecyl)-, ethyl ester, monohydrochloride",60372-77-2,25229630,ethyl (2S)-5-(diaminomethylideneamino)-2-(dodecanoylamino)pentanoate;hydrochloride,CCCCCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)OCC.Cl,"InChI=1S/C20H40N4O3.ClH/c1-3-5-6-7-8-9-10-11-12-15-18(25)24-17(19(26)27-4-2)14-13-16-23-20(21)22;/h17H,3-16H2,1-2H3,(H,24,25)(H4,21,22,23);1H/t17-;/m0./s1",CUBZMGWLVMQKNE-LMOVPXPDSA-N,C20H41ClN4O3,421,420.2867189,,120,423,0,4,4,18,28,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Butyric acid, 4-(methylnitrosoamino)-",61445-55-4,43659,4-[methyl(nitroso)amino]butanoic acid,CN(CCCC(=O)O)N=O,"InChI=1S/C5H10N2O3/c1-7(6-10)4-2-3-5(8)9/h2-4H2,1H3,(H,8,9)",SJLBIPLIGYWGJV-UHFFFAOYSA-N,C5H10N2O3,146.14,146.0691422,0,70,126,0,1,5,4,10,,,0,0,0,1,0,1,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"Butyric acid, 4-fluoro-2-hydroxy-, methyl ester",63904-99-4,45064,methyl 4-fluoro-2-hydroxybutanoate,COC(=O)C(CCF)O,"InChI=1S/C5H9FO3/c1-9-5(8)4(7)2-3-6/h4,7H,2-3H2,1H3",NECLRVWWJVIMBL-UHFFFAOYSA-N,C5H9FO3,136.12,136.0535723,0.2,46.5,94,0,1,4,4,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
Empigen BB,66455-29-6,12687,carboxymethyl-dodecyl-dimethylazanium,CCCCCCCCCCCC[N+](C)(C)CC(=O)O,"InChI=1S/C16H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16(18)19/h4-15H2,1-3H3/p+1",DVEKCXOJTLDBFE-UHFFFAOYSA-O,C16H34NO2+,272.45,272.2589543,5.5,37.3,227,1,1,2,13,19,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butyric acid, beta-amino-beta-ureido-, ethyl ester",73758-52-8,52411,ethyl 3-amino-3-(carbamoylamino)butanoate,CCOC(=O)CC(C)(N)NC(=O)N,"InChI=1S/C7H15N3O3/c1-3-13-5(11)4-7(2,9)10-6(8)12/h3-4,9H2,1-2H3,(H3,8,10,12)",USZCLVNQMQEOBA-UHFFFAOYSA-N,C7H15N3O3,189.21,189.1113414,-1.4,107,207,0,3,4,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Carbazic acid, 3-thiocarbamoyldithio-, potassium salt",73771-62-7,23704134,potassium N-(carbamothioylamino)carbamodithioate,C(=S)(N)NNC(=S)[S-].[K+],"InChI=1S/C2H5N3S3.K/c3-1(6)4-5-2(7)8;/h(H3,3,4,6)(H2,5,7,8);/q;+1/p-1",FEGUKRZLNQXHTK-UHFFFAOYSA-M,C2H4KN3S3,205.4,204.9204422,,115,116,0,3,3,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,3-Hexadecanetriol, 3,7,11,15-tetramethyl-",74563-64-7,3018525,"3,7,11,15-tetramethylhexadecane-1,2,3-triol",CC(C)CCCC(C)CCCC(C)CCCC(C)(C(CO)O)O,"InChI=1S/C20H42O3/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-20(5,23)19(22)15-21/h16-19,21-23H,6-15H2,1-5H3",CGIHFIDULQUVJG-UHFFFAOYSA-N,C20H42O3,330.5,330.3133952,5.9,60.7,280,0,3,3,14,23,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"Acetic acid, chloro-, compd. with 1-dodecanamine (1:1)",78961-20-3,12721583,2-chloroacetic acid;dodecan-1-amine,CCCCCCCCCCCCN.C(C(=O)O)Cl,"InChI=1S/C12H27N.C2H3ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13;3-1-2(4)5/h2-13H2,1H3;1H2,(H,4,5)",LCZIQCSYIXULBD-UHFFFAOYSA-N,C14H30ClNO2,279.84,279.1965069,,63.3,124,0,2,3,11,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,6,10,14-Hexadecapentaenoic acid, 3,7,11,15-tetramethyl-, (all-E)-",81485-25-8,6437836,"(2E,4E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenoic acid",CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C(=O)O)/C)/C)/C)C,"InChI=1S/C20H30O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h8-9,11,13-15H,6-7,10,12H2,1-5H3,(H,21,22)/b14-8+,17-11+,18-13+,19-15+",UUBHZHZSIKRVIV-KCXSXWJSSA-N,C20H30O2,302.5,302.2245802,6.9,37.3,496,0,1,2,9,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanol, 2-(butylnitroamino)-, nitrate (ester)",82486-82-6,150000,2-[butyl(nitro)amino]ethyl nitrate,CCCCN(CCO[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C6H13N3O5/c1-2-3-4-7(8(10)11)5-6-14-9(12)13/h2-6H2,1H3",TUIUTESNLKHOHQ-UHFFFAOYSA-N,C6H13N3O5,207.18,207.0855205,2.2,104,187,0,0,6,6,14,,,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Butanedinitrile, 2,3-diethyl-2,3-dimethyl-",128903-20-8,145087,"2,3-diethyl-2,3-dimethylbutanedinitrile",CCC(C)(C#N)C(C)(CC)C#N,"InChI=1S/C10H16N2/c1-5-9(3,7-11)10(4,6-2)8-12/h5-6H2,1-4H3",YPKRPUBUHLHYRJ-UHFFFAOYSA-N,C10H16N2,164.25,164.1313485,2.2,47.6,224,0,0,2,3,12,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"L-Valinamide, N-(2-furanylcarbonyl)-L-leucyl-L-isoleucylglycyl-L-lysyl-",634179-67-2,445637,(2S)-2-amino-3-methylbutanamide,CC(C)[C@@H](C(=O)N)N,"InChI=1S/C5H12N2O/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H2,7,8)/t4-/m0/s1",XDEHMKQLKPZERH-BYPYZUCNSA-N,C5H12N2O,116.16,116.094963,-0.4,69.1,90,0,2,2,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,1,0,0
"Butanoic acid, 2,2,3,3,4,4-hexafluoro-4-(trifluoromethoxy)-",863090-89-5,12498036,"2,2,3,3,4,4-hexafluoro-4-(trifluoromethoxy)butanoic acid",C(=O)(C(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)O,"InChI=1S/C5HF9O3/c6-2(7,1(15)16)3(8,9)4(10,11)17-5(12,13)14/h(H,15,16)",CZTBTZZANBJSLY-UHFFFAOYSA-N,C5HF9O3,280.04,279.9781974,3,46.5,306,0,1,12,4,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Ammonium, hexamethylenebis(dodecyldimethyl-, dibromide",,12416670,dodecyl-[6-[dodecyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide,CCCCCCCCCCCC[N+](C)(C)CCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-].[Br-],"InChI=1S/C34H74N2.2BrH/c1-7-9-11-13-15-17-19-21-23-27-31-35(3,4)33-29-25-26-30-34-36(5,6)32-28-24-22-20-18-16-14-12-10-8-2;;/h7-34H2,1-6H3;2*1H/q+2;;/p-2",ZXVGCUMZUVQCMK-UHFFFAOYSA-L,C34H74Br2N2,670.8,670.41983,,0,389,0,0,2,29,38,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"Butyric acid, 2-amino-2-ethyl-",,95206,2-amino-2-ethylbutanoic acid,CCC(CC)(C(=O)O)N,"InChI=1S/C6H13NO2/c1-3-6(7,4-2)5(8)9/h3-4,7H2,1-2H3,(H,8,9)",KWOMLHIFHFWBSB-UHFFFAOYSA-N,C6H13NO2,131.17,131.0946287,-1.8,63.3,108,0,2,3,3,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butyric acid, thio-, S,S'-(1-(hydroxymethyl)ethylene) ester, butyrate",,194061,"2,3-bis(butanoylsulfanyl)propyl butanoate",CCCC(=O)OCC(CSC(=O)CCC)SC(=O)CCC,"InChI=1S/C15H26O4S2/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3",NHBKXEKEPDILRR-UHFFFAOYSA-N,C15H26O4S2,334.5,334.1272517,3.5,111,332,0,0,6,14,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbamic acid, (aminocarbonyl)-, 2-chloroethyl ester",,3027860,2-chloroethyl N-carbamoylcarbamate,C(CCl)OC(=O)NC(=O)N,"InChI=1S/C4H7ClN2O3/c5-1-2-10-4(9)7-3(6)8/h1-2H2,(H3,6,7,8,9)",NWDWVJTZVDWYRG-UHFFFAOYSA-N,C4H7ClN2O3,166.56,166.0145198,0.3,81.4,138,0,2,3,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Octanesulfonic acid, 8-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-, sodium salt (1:1)",,49939,octane-1-sulfonic acid,CCCCCCCCS(=O)(=O)O,"InChI=1S/C8H18O3S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3,(H,9,10,11)",WLGDAKIJYPIYLR-UHFFFAOYSA-N,C8H18O3S,194.29,194.0976656,2.5,62.8,179,0,1,3,7,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"Tridecanamide, N-((1S,2R,4R,8E)-1-((beta-D-glucopyranosyloxy)methyl)-2,4-dihydroxy-8-octacosenyl)-",,4167542,tridecanamide,CCCCCCCCCCCCC(=O)N,"InChI=1S/C13H27NO/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H2,14,15)",RSSGSPAYFRXVKG-UHFFFAOYSA-N,C13H27NO,213.36,213.2092645,4.1,43.1,145,0,1,1,11,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEDIAZONIUM, 5-CHLORO-2-METHOXY-, CHLORIDE",000093-34-5,66730,5-chloro-2-methoxybenzenediazonium chloride,COC1=C(C=C(C=C1)Cl)[N+]#N.[Cl-],"InChI=1S/C7H6ClN2O.ClH/c1-11-7-3-2-5(8)4-6(7)10-9;/h2-4H,1H3;1H/q+1;/p-1",MLQLFEBDEPZXFY-UHFFFAOYSA-M,C7H6Cl2N2O,205.04,203.9857182,,37.4,177,0,0,3,1,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4,6-TRINITRO-PHENOL, POTASSIUM SALT",000573-83-1,68454,"potassium 2,4,6-trinitrophenolate",C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].[K+],"InChI=1S/C6H3N3O7.K/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h1-2,10H;/q;+1/p-1",RBGOCSKFMWMTRZ-UHFFFAOYSA-M,C6H2KN3O7,267.19,266.9529809,,161,292,0,0,7,0,17,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4-CYCLOHEXADIEN-1-ONE, 6-DIAZO-2,4-DINITRO-",004682-03-5,5463880,"2-diazonio-4,6-dinitrophenolate",C1=C(C=C(C(=C1[N+]#N)[O-])[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C6H2N4O5/c7-8-4-1-3(9(12)13)2-5(6(4)11)10(14)15/h1-2H,IUKSYUOJRHDWRR-UHFFFAOYSA-N,C6H2N4O5,210.1,210.0025192,2.5,143,325,0,0,6,0,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Lead styphenate,015245-44-0,61789,"lead(2+);2,4,6-trinitrobenzene-1,3-diolate",C1=C(C(=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[O-])[N+](=O)[O-].[Pb+2],"InChI=1S/C6H3N3O8.Pb/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17;/h1,10-11H;/q;+2/p-2",WETZJIOEDGMBMA-UHFFFAOYSA-L,C6HN3O8Pb,450,450.95302,,184,317,0,0,8,0,18,310-330 °C (590-626 °F),,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"2,4,6-TRINITRORESORCINOL",000082-71-3,6721,"2,4,6-trinitrobenzene-1,3-diol",C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-],"InChI=1S/C6H3N3O8/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h1,10-11H",IXHMHWIBCIYOAZ-UHFFFAOYSA-N,C6H3N3O8,245.1,244.9920141,1.1,178,317,0,2,8,0,17,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4,6-TRINITROBENZOIC ACID - MIN 30% WATER",000129-66-8,8518,"2,4,6-trinitrobenzoic acid",C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C7H3N3O8/c11-7(12)6-4(9(15)16)1-3(8(13)14)2-5(6)10(17)18/h1-2H,(H,11,12)",KAQBNBSMMVTKRN-UHFFFAOYSA-N,C7H3N3O8,257.11,256.9920141,0.2,175,369,0,1,8,1,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRYL,000479-45-8,10178,"N-methyl-N-(2,4,6-trinitrophenyl)nitramide",CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C7H5N5O8/c1-8(12(19)20)7-5(10(15)16)2-4(9(13)14)3-6(7)11(17)18/h2-3H,1H3",AGUIVNYEYSCPNI-UHFFFAOYSA-N,C7H5N5O8,287.14,287.0138121,1.7,187,408,0,0,9,1,20,"Explodes (NIOSH, 2024)","356 to 374 °F at 760 mmHg (Explodes) (NIOSH, 2024)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,4,6-TRINITROBENZENESULFONIC ACID",002508-19-2,11045,"2,4,6-trinitrobenzenesulfonic acid",C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C6H3N3O9S/c10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h1-2H,(H,16,17,18)",NHJVRSWLHSJWIN-UHFFFAOYSA-N,C6H3N3O9S,293.17,292.9589999,0.2,200,470,0,1,9,1,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
AMMONIUM PICRATE,000131-74-8,8577,"azanium 2,4,6-trinitrophenolate",C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].[NH4+],"InChI=1S/C6H3N3O7.H3N/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h1-2,10H;1H3",PADMMUFPGNGRGI-UHFFFAOYSA-N,C6H6N4O7,246.13,246.0236485,,162,292,0,1,7,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"2,4,6-TRINITRO-1,3,5-BENZENETRIAMINE",003058-38-6,18286,"2,4,6-trinitrobenzene-1,3,5-triamine",C1(=C(C(=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])N)[N+](=O)[O-])N,InChI=1S/C6H6N6O6/c7-1-4(10(13)14)2(8)6(12(17)18)3(9)5(1)11(15)16/h7-9H2,JDFUJAMTCCQARF-UHFFFAOYSA-N,C6H6N6O6,258.15,258.0348819,1,216,297,0,3,9,0,18,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 2-METHOXY-1,3,5-TRINITRO-",000606-35-9,11817,"2-methoxy-1,3,5-trinitrobenzene",COC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C7H5N3O7/c1-17-7-5(9(13)14)2-4(8(11)12)3-6(7)10(15)16/h2-3H,1H3",FMXDVBRYDYFVGS-UHFFFAOYSA-N,C7H5N3O7,243.13,243.0127495,0.7,147,306,0,0,7,1,17,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
PICRIC ACID,000088-89-1,6954,"2,4,6-trinitrophenol",C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H",OXNIZHLAWKMVMX-UHFFFAOYSA-N,C6H3N3O7,229.1,228.9970994,0.9,158,292,0,1,7,0,16,"302 °F (NIOSH, 2024)","Explodes above 572 °F (NIOSH, 2024)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitro-",000081-15-2,62329,"1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene",CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-],"InChI=1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3",XMWRWTSZNLOZFN-UHFFFAOYSA-N,C12H15N3O6,297.26,297.0960852,3.8,137,416,0,0,6,1,21,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 2-CHLORO-1,3,5-TRINITRO-",000088-88-0,6953,"2-chloro-1,3,5-trinitrobenzene",C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C6H2ClN3O6/c7-6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-2H,HJRJRUMKQCMYDL-UHFFFAOYSA-N,C6H2ClN3O6,247.55,246.9632125,2.8,137,296,0,0,6,0,16,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 2,4-dinitro-, sodium salt",001011-73-0,70533,"sodium 2,4-dinitrophenolate",C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[O-].[Na+],"InChI=1S/C6H4N2O5.Na/c9-6-2-1-4(7(10)11)3-5(6)8(12)13;/h1-3,9H;/q;+1/p-1",JMOHQJVXBQAVNW-UHFFFAOYSA-M,C6H3N2NaO5,206.09,205.9939655,,115,220,0,0,5,0,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TERT-AMYLBENZENE,002049-95-8,16295,2-methylbutan-2-ylbenzene,CCC(C)(C)C1=CC=CC=C1,"InChI=1S/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3",QHTJSSMHBLGUHV-UHFFFAOYSA-N,C11H16,148.24,148.1252005,4.7,0,107,0,0,0,2,11,,,0,0,0,0,0,1,1,1,1,0,0,0,0,0,0,0,1,1,0,0
"1,4-DIFLUOROBENZENE",000540-36-3,10892,"1,4-difluorobenzene",C1=CC(=CC=C1F)F,InChI=1S/C6H4F2/c7-5-1-2-6(8)4-3-5/h1-4H,QUGUFLJIAFISSW-UHFFFAOYSA-N,C6H4F2,114.09,114.0281065,2.2,0,54,0,0,2,0,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"TRIMETHYL-(ALPHA, ALPHA, ALPHA-TRIFLUORO-M-TOLYL)-AMMONIUM HYDROXIDE",068254-41-1,2760772,trimethyl-[3-(trifluoromethyl)phenyl]azanium hydroxide,C[N+](C)(C)C1=CC=CC(=C1)C(F)(F)F.[OH-],"InChI=1S/C10H13F3N.H2O/c1-14(2,3)9-6-4-5-8(7-9)10(11,12)13;/h4-7H,1-3H3;1H2/q+1;/p-1",BFPOZPZYPNVMHU-UHFFFAOYSA-M,C10H14F3NO,221.22,221.1027486,,1,193,0,1,4,1,15,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
TOLUENE,000108-88-3,1140,toluene,CC1=CC=CC=C1,"InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",YXFVVABEGXRONW-UHFFFAOYSA-N,C7H8,92.14,92.06260026,2.7,0,42,0,0,0,0,7,"40 °F (NTP, 1992)","231.1 °F at 760 mmHg (NTP, 1992)",0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1,0,1,1
1-METHYL-4-N-PROPYLBENZENE,001074-55-1,14095,1-methyl-4-propylbenzene,CCCC1=CC=C(C=C1)C,"InChI=1S/C10H14/c1-3-4-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3",JXFVMNFKABWTHD-UHFFFAOYSA-N,C10H14,134.22,134.1095504,3.6,0,78,0,0,0,2,10,,,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0
HEXAFLUOROBENZENE,000392-56-3,9805,"1,2,3,4,5,6-hexafluorobenzene",C1(=C(C(=C(C(=C1F)F)F)F)F)F,InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9,ZQBFAOFFOQMSGJ-UHFFFAOYSA-N,C6F6,186.05,185.990419,2.5,0,104,0,0,6,0,12,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
BENZENE-D6,001076-43-3,71601,"1,2,3,4,5,6-hexadeuteriobenzene",[2H]C1=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H],"InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D",UHOVQNZJYSORNB-MZWXYZOWSA-N,C6H6,84.15,84.08461067,2.1,0,15,0,0,0,0,6,,,0,0,0,0,1,1,0,1,1,0,1,0,0,0,0,0,1,0,1,0
TOLUENE-D8,002037-26-5,74861,"1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzene",[2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])[2H])[2H])[2H],"InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D",YXFVVABEGXRONW-JGUCLWPXSA-N,C7H8,100.19,100.1128142,2.7,0,42,0,0,0,0,7,,,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1,0,1,1
OCTAFLUOROTOLUENE,000434-64-0,9906,"1,2,3,4,5-pentafluoro-6-(trifluoromethyl)benzene",C1(=C(C(=C(C(=C1F)F)F)F)F)C(F)(F)F,"InChI=1S/C7F8/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10",USPWUOFNOTUBAD-UHFFFAOYSA-N,C7F8,236.06,235.9872253,3.3,0,210,0,0,8,0,15,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
LITHIUM PHENOXIDE,017634-93-4,11815295,lithium phenoxide,[Li+].C1=CC=C(C=C1)[O-],"InChI=1S/C6H6O.Li/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1",XAVQZBGEXVFCJI-UHFFFAOYSA-M,C6H5LiO,100.1,100.0500432,,23.1,50,0,0,1,0,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
PHENYLSILANE,000694-53-1,12752,phenylsilane,C1=CC=C(C=C1)[SiH3],"InChI=1S/C6H8Si/c7-6-4-2-1-3-5-6/h1-5H,7H3",PARWUHTVGZSQPD-UHFFFAOYSA-N,C6H8Si,108.21,108.0395268,,0,46,0,0,0,0,7,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
4-FLUOROTOLUENE,000352-32-9,9603,1-fluoro-4-methylbenzene,CC1=CC=C(C=C1)F,"InChI=1S/C7H7F/c1-6-2-4-7(8)5-3-6/h2-5H,1H3",WRWPPGUCZBJXKX-UHFFFAOYSA-N,C7H7F,110.13,110.0531784,2.8,0,62,0,0,1,0,8,"105 °F (USCG, 1999)","241.9 °F at 760 mmHg (USCG, 1999)",0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
FLUOROBENZENE,000462-06-6,10008,fluorobenzene,C1=CC=C(C=C1)F,InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H,PYLWMHQQBFSUBP-UHFFFAOYSA-N,C6H5F,96.1,96.03752832,2.3,0,46,0,0,1,0,7,"5 °F (NTP, 1992)","185.2 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0
ETHYLBENZENE-D5,020302-26-5,3084337,"1,1,2,2,2-pentadeuterioethylbenzene",[2H]C([2H])([2H])C([2H])([2H])C1=CC=CC=C1,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3/i1D3,2D2",YNQLUTRBYVCPMQ-ZBJDZAJPSA-N,C8H10,111.2,111.109634,3.1,0,51,0,0,0,1,8,,,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,2,4-TRIFLUOROBENZENE",000367-23-7,67773,"1,2,4-trifluorobenzene",C1=CC(=C(C=C1F)F)F,InChI=1S/C6H3F3/c7-4-1-2-5(8)6(9)3-4/h1-3H,PEBWOGPSYUIOBP-UHFFFAOYSA-N,C6H3F3,132.08,132.0186846,2.4,0,94,0,0,3,0,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-FLUOROTOLUENE,000095-52-3,7241,1-fluoro-2-methylbenzene,CC1=CC=CC=C1F,"InChI=1S/C7H7F/c1-6-4-2-3-5-7(6)8/h2-5H,1H3",MMZYCBHLNZVROM-UHFFFAOYSA-N,C7H7F,110.13,110.0531784,2.9,0,70,0,0,1,0,8,"55 °F (USCG, 1999)","237.2 °F at 760 mmHg (USCG, 1999)",0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TOLUENE-D3,001124-18-1,101983,trideuteriomethylbenzene,[2H]C([2H])([2H])C1=CC=CC=C1,"InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3",YXFVVABEGXRONW-FIBGUPNXSA-N,C7H8,95.16,95.08143049,2.7,0,42,0,0,0,0,7,,,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1,0,1,1
"1,2,4,5-TETRAFLUOROBENZENE",000327-54-8,9474,"1,2,4,5-tetrafluorobenzene",C1=C(C(=CC(=C1F)F)F)F,InChI=1S/C6H2F4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H,SDXUIOOHCIQXRP-UHFFFAOYSA-N,C6H2F4,150.07,150.0092627,2.3,0,90,0,0,4,0,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-ETHYNYL-4-(TRIFLUOROMETHYL)BENZENE,000705-31-7,4348295,1-ethynyl-4-(trifluoromethyl)benzene,C#CC1=CC=C(C=C1)C(F)(F)F,"InChI=1S/C9H5F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h1,3-6H",XTKBMZQCDBHHKY-UHFFFAOYSA-N,C9H5F3,170.13,170.0343347,3.2,0,188,0,0,3,1,12,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,3,5-TRIFLUOROBENZENE",000372-38-3,9745,"1,3,5-trifluorobenzene",C1=C(C=C(C=C1F)F)F,InChI=1S/C6H3F3/c7-4-1-5(8)3-6(9)2-4/h1-3H,JXUKFFRPLNTYIV-UHFFFAOYSA-N,C6H3F3,132.08,132.0186846,2.2,0,63,0,0,3,0,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1,4-BIS(TRIFLUOROMETHYL)-",000433-19-2,67945,"1,4-bis(trifluoromethyl)benzene",C1=CC(=CC=C1C(F)(F)F)C(F)(F)F,"InChI=1S/C8H4F6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4H",PDCBZHHORLHNCZ-UHFFFAOYSA-N,C8H4F6,214.11,214.0217191,3.8,0,161,0,0,6,0,14,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, (TRIFLUOROMETHOXY)-",000456-55-3,68010,trifluoromethoxybenzene,C1=CC=C(C=C1)OC(F)(F)F,"InChI=1S/C7H5F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H",GQHWSLKNULCZGI-UHFFFAOYSA-N,C7H5F3O,162.11,162.0292493,3.2,9.2,115,0,0,4,1,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-CHLORO-3-FLUORO-",000625-98-9,223087,1-chloro-3-fluorobenzene,C1=CC(=CC(=C1)Cl)F,InChI=1S/C6H4ClF/c7-5-2-1-3-6(8)4-5/h1-4H,VZHJIJZEOCBKRA-UHFFFAOYSA-N,C6H4ClF,130.55,129.998556,3,0,74,0,0,1,0,8,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-ETHYL-3,5-DIMETHYLBENZENE",000934-74-7,13627,"1-ethyl-3,5-dimethylbenzene",CCC1=CC(=CC(=C1)C)C,"InChI=1S/C10H14/c1-4-10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3",LMAUULKNZLEMGN-UHFFFAOYSA-N,C10H14,134.22,134.1095504,3.4,0,86,0,0,0,1,10,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0
"2-ETHYL-1,3-DIMETHYLBENZENE",002870-04-4,17877,"2-ethyl-1,3-dimethylbenzene",CCC1=C(C=CC=C1C)C,"InChI=1S/C10H14/c1-4-10-8(2)6-5-7-9(10)3/h5-7H,4H2,1-3H3",CHIKRULMSSADAF-UHFFFAOYSA-N,C10H14,134.22,134.1095504,3.4,0,86,0,0,0,1,10,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"MAGNESIUM, CHLORO(2-METHYL-2-PHENYLPROPYL)-",035293-35-7,118802,magnesium;2-methanidylpropan-2-ylbenzene;chloride,CC(C)([CH2-])C1=CC=CC=C1.[Mg+2].[Cl-],"InChI=1S/C10H13.ClH.Mg/c1-10(2,3)9-7-5-4-6-8-9;;/h4-8H,1H2,2-3H3;1H;/q-1;;+2/p-1",IYOKDPFKCXZKJU-UHFFFAOYSA-M,C10H13ClMg,192.97,192.0556198,,0,106,0,0,2,1,12,,,0,1,1,1,0,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1,2-DICHLORO-3-FLUORO-",036556-50-0,119011,"1,2-dichloro-3-fluorobenzene",C1=CC(=C(C(=C1)Cl)Cl)F,InChI=1S/C6H3Cl2F/c7-4-2-1-3-5(9)6(4)8/h1-3H,NPXCSDPOOVOVDQ-UHFFFAOYSA-N,C6H3Cl2F,164.99,163.9595836,3.6,0,97,0,0,1,0,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
LISDEXAMFETAMINE,608137-32-2,11597698,"(2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide",C[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)N,"InChI=1S/C15H25N3O/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19)/t12-,14-/m0/s1",VOBHXZCDAVEXEY-JSGCOSHPSA-N,C15H25N3O,263.38,263.1997624,1.2,81.1,252,0,3,3,8,19,9.7 °C; 49.5 °F (closed cup),,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
P-TERT-BUTYLETHYLBENZENE,007364-19-4,81828,1-tert-butyl-4-ethylbenzene,CCC1=CC=C(C=C1)C(C)(C)C,"InChI=1S/C12H18/c1-5-10-6-8-11(9-7-10)12(2,3)4/h6-9H,5H2,1-4H3",OYBFKZHDPTTWGE-UHFFFAOYSA-N,C12H18,162.27,162.1408506,4.4,0,121,0,0,0,2,12,,,1,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0
ETHYLBENZENE,000100-41-4,7500,ethylbenzene,CCC1=CC=CC=C1,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",YNQLUTRBYVCPMQ-UHFFFAOYSA-N,C8H10,106.16,106.0782503,3.1,0,51,0,0,0,1,8,"59 °F (NTP, 1992)","277.2 °F at 760 mmHg (NTP, 1992)",0,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0
N-PROPYLBENZENE,000103-65-1,7668,propylbenzene,CCCC1=CC=CC=C1,"InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3",ODLMAHJVESYWTB-UHFFFAOYSA-N,C9H12,120.19,120.0939004,3.7,0,60,0,0,0,2,9,"118 °F (USCG, 1999)","318.2 °F at 760 mmHg (USCG, 1999)",0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,1
N-BUTYL BENZENE,000104-51-8,7705,butylbenzene,CCCCC1=CC=CC=C1,"InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3",OCKPCBLVNKHBMX-UHFFFAOYSA-N,C10H14,134.22,134.1095504,4.4,0,70,0,0,0,3,10,"160 °F (NFPA, 2010)",183.3 °C,1,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
SEC-BUTYL BENZENE,000135-98-8,8680,butan-2-ylbenzene,CCC(C)C1=CC=CC=C1,"InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3",ZJMWRROPUADPEA-UHFFFAOYSA-N,C10H14,134.22,134.1095504,4.2,0,80,0,0,0,2,10,126 °F (52 °C) closed cup,173.5 °C,0,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
O-CHLOROSTYRENE,002039-87-4,14906,1-chloro-2-ethenylbenzene,C=CC1=CC=CC=C1Cl,"InChI=1S/C8H7Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2",ISRGONDNXBCDBM-UHFFFAOYSA-N,C8H7Cl,138.59,138.0236279,3.4,0,98,0,0,0,1,9,"138 °F (NTP, 1992)","371.7 °F at 760 mmHg (NTP, 1992)",0,0,1,0,0,1,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,4-DIETHYLBENZENE",000105-05-5,7734,"1,4-diethylbenzene",CCC1=CC=C(C=C1)CC,"InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3",DSNHSQKRULAAEI-UHFFFAOYSA-N,C10H14,134.22,134.1095504,3.5,0,66,0,0,0,2,10,55 °C,183.7 °C,0,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
PHENYL ISOCYANATE,000103-71-9,7672,isocyanatobenzene,C1=CC=C(C=C1)N=C=O,InChI=1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H,DGTNSSLYPYDJGL-UHFFFAOYSA-N,C7H5NO,119.12,119.0371138,2.7,29.4,121,0,0,2,1,9,132 °F (55.5 °C) (Open Cup),158-168 °C,1,0,1,1,0,0,1,1,1,0,0,0,0,0,1,0,1,1,0,1
1-METHYL-2-ETHYLBENZENE,000611-14-3,11903,1-ethyl-2-methylbenzene,CCC1=CC=CC=C1C,"InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3",HYFLWBNQFMXCPA-UHFFFAOYSA-N,C9H12,120.19,120.0939004,3.5,0,76,0,0,0,1,9,"103 °F (USCG, 1999)","329.4 °F at 760 mmHg (USCG, 1999)",0,0,0,0,1,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0
1-METHYL-4-ETHYLBENZENE,000622-96-8,12160,1-ethyl-4-methylbenzene,CCC1=CC=C(C=C1)C,"InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3",JRLPEMVDPFPYPJ-UHFFFAOYSA-N,C9H12,120.19,120.0939004,3.6,0,68,0,0,0,1,9,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,2-DIETHYLBENZENE",000135-01-3,8657,"1,2-diethylbenzene",CCC1=CC=CC=C1CC,"InChI=1S/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H3",KVNYFPKFSJIPBJ-UHFFFAOYSA-N,C10H14,134.22,134.1095504,3.7,0,74,0,0,0,2,10,57 °C,184 °C,0,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
M-ETHYLTOLUENE,000620-14-4,12100,1-ethyl-3-methylbenzene,CCC1=CC=CC(=C1)C,"InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3",ZLCSFXXPPANWQY-UHFFFAOYSA-N,C9H12,120.19,120.0939004,3.6,0,76,0,0,0,1,9,,,0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
PHENYLACETYLENE,000536-74-3,10821,ethynylbenzene,C#CC1=CC=CC=C1,"InChI=1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H",UEXCJVNBTNXOEH-UHFFFAOYSA-N,C8H6,102.13,102.0469502,2.5,0,98,0,0,0,1,8,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
3-CHLOROPEROXYBENZOIC ACID,000937-14-4,70297,3-chlorobenzenecarboperoxoic acid,C1=CC(=CC(=C1)Cl)C(=O)OO,"InChI=1S/C7H5ClO3/c8-6-3-1-2-5(4-6)7(9)11-10/h1-4,10H",NHQDETIJWKXCTC-UHFFFAOYSA-N,C7H5ClO3,172.56,171.9927217,2.4,46.5,149,0,1,3,2,11,,,0,0,0,1,0,0,0,1,1,0,0,0,1,0,0,1,1,1,0,1
2-METHYL-6-ISOPROPYLANILINE,005266-85-3,78920,2-methyl-6-propan-2-ylaniline,CC1=C(C(=CC=C1)C(C)C)N,"InChI=1S/C10H15N/c1-7(2)9-6-4-5-8(3)10(9)11/h4-7H,11H2,1-3H3",DDTKYVBFPULMGN-UHFFFAOYSA-N,C10H15N,149.23,149.1204495,2.4,26,120,0,1,1,1,11,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
4-ETHYNYLTOLUENE,000766-97-2,13018,1-ethynyl-4-methylbenzene,CC1=CC=C(C=C1)C#C,"InChI=1S/C9H8/c1-3-9-6-4-8(2)5-7-9/h1,4-7H,2H3",KSZVOXHGCKKOLL-UHFFFAOYSA-N,C9H8,116.16,116.0626003,3,0,118,0,0,0,1,9,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-FLUOROANILINE,000348-54-9,9584,2-fluoroaniline,C1=CC=C(C(=C1)N)F,"InChI=1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2",FTZQXOJYPFINKJ-UHFFFAOYSA-N,C6H6FN,111.12,111.0484274,1.3,26,74,0,1,2,0,8,"140 °F (USCG, 1999)","347 °F at 760 mmHg (USCG, 1999)",1,1,1,1,0,1,0,1,1,0,1,0,0,0,0,0,1,1,1,1
M-TRIFLUOROMETHYLPHENYL ISOCYANATE,000329-01-1,9483,1-isocyanato-3-(trifluoromethyl)benzene,C1=CC(=CC(=C1)N=C=O)C(F)(F)F,"InChI=1S/C8H4F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H",SXJYSIBLFGQAND-UHFFFAOYSA-N,C8H4F3NO,187.12,187.0244982,4.1,29.4,220,0,0,5,1,13,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,1,0,1,1,0,1
PHENYLACETYLENE-D,003240-11-7,12198879,2-deuterioethynylbenzene,[2H]C#CC1=CC=CC=C1,"InChI=1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H/i1D",UEXCJVNBTNXOEH-MICDWDOJSA-N,C8H6,103.14,103.0532269,2.5,0,98,0,0,0,1,8,,,0,0,0,1,1,1,0,1,1,0,0,0,0,0,0,0,1,0,0,1
4-METHYLSTYRENE,000622-97-9,12161,1-ethenyl-4-methylbenzene,CC1=CC=C(C=C1)C=C,"InChI=1S/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3",JLBJTVDPSNHSKJ-UHFFFAOYSA-N,C9H10,118.18,118.0782503,3.6,0,86,0,0,0,1,9,"125 to 127 °F (NFPA, 2010)",172 °C,0,0,1,0,1,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
2-AMINOBENZOTRIFLUORIDE,000088-17-5,6922,2-(trifluoromethyl)aniline,C1=CC=C(C(=C1)C(F)(F)F)N,"InChI=1S/C7H6F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H,11H2",VBLXCTYLWZJBKA-UHFFFAOYSA-N,C7H6F3N,161.12,161.0452337,2.4,26,132,0,1,4,0,11,,,0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,1,1,0
ALLYLBENZENE,000300-57-2,9309,prop-2-enylbenzene,C=CCC1=CC=CC=C1,"InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2",HJWLCRVIBGQPNF-UHFFFAOYSA-N,C9H10,118.18,118.0782503,3.2,0,78,0,0,0,2,9,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
PHENYLTRIMETHYLSILANE,000768-32-1,69849,trimethyl(phenyl)silane,C[Si](C)(C)C1=CC=CC=C1,"InChI=1S/C9H14Si/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3",KXFSUVJPEQYUGN-UHFFFAOYSA-N,C9H14Si,150.29,150.086477,,0,95,0,0,0,1,10,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
BENZYL ISOCYANATE,003173-56-6,76639,isocyanatomethylbenzene,C1=CC=C(C=C1)CN=C=O,"InChI=1S/C8H7NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2",YDNLNVZZTACNJX-UHFFFAOYSA-N,C8H7NO,133.15,133.0527638,2.6,29.4,132,0,0,2,2,10,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,1,0,1,1,0,1
3-METHYLSTYRENE,000100-80-1,7529,1-ethenyl-3-methylbenzene,CC1=CC(=CC=C1)C=C,"InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3",JZHGRUMIRATHIU-UHFFFAOYSA-N,C9H10,118.18,118.0782503,3.6,0,94,0,0,0,1,9,51 °C c.c.,170 °C,1,0,1,0,1,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
PENTAFLUOROTHIOPHENOL,000771-62-0,13042,"2,3,4,5,6-pentafluorobenzenethiol",C1(=C(C(=C(C(=C1F)F)S)F)F)F,InChI=1S/C6HF5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H,UVAMFBJPMUMURT-UHFFFAOYSA-N,C6HF5S,200.13,199.971912,2.6,1,150,0,1,6,0,12,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
4-FLUOROTHIOPHENOL,000371-42-6,67789,4-fluorobenzenethiol,C1=CC(=CC=C1F)S,"InChI=1S/C6H5FS/c7-5-1-3-6(8)4-2-5/h1-4,8H",OKIHXNKYYGUVTE-UHFFFAOYSA-N,C6H5FS,128.17,128.0095995,2.3,1,66,0,1,2,0,8,,,1,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,1
"3,4,5-TRIFLUOROBENZENESULFONYL CHLORIDE",351003-43-5,2778858,"3,4,5-trifluorobenzenesulfonyl chloride",C1=C(C=C(C(=C1F)F)F)S(=O)(=O)Cl,"InChI=1S/C6H2ClF3O2S/c7-13(11,12)3-1-4(8)6(10)5(9)2-3/h1-2H",HSEHKULCGSMHAE-UHFFFAOYSA-N,C6H2ClF3O2S,230.59,229.9416127,2.2,42.5,264,0,0,5,1,13,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
BENZYL AZIDE,000622-79-7,12152,azidomethylbenzene,C1=CC=C(C=C1)CN=[N+]=[N-],"InChI=1S/C7H7N3/c8-10-9-6-7-4-2-1-3-5-7/h1-5H,6H2",UDLLFLQFQMACJB-UHFFFAOYSA-N,C7H7N3,133.15,133.0639972,2.8,14.4,132,0,0,2,2,10,,,0,0,0,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,1,0
1-ETHYNYL-4-VINYLBENZENE,002499-64-1,10942441,1-ethenyl-4-ethynylbenzene,C=CC1=CC=C(C=C1)C#C,"InChI=1S/C10H8/c1-3-9-5-7-10(4-2)8-6-9/h1,4-8H,2H2",GBLRMBKJBLNURW-UHFFFAOYSA-N,C10H8,128.17,128.0626003,2.9,0,150,0,0,0,2,10,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-(CHLOROMETHYL)-2-FLUORO-",000345-35-7,9580,1-(chloromethyl)-2-fluorobenzene,C1=CC=C(C(=C1)CCl)F,"InChI=1S/C7H6ClF/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2",MOBRMRJUKNQBMY-UHFFFAOYSA-N,C7H6ClF,144.57,144.014206,2.6,0,85,0,0,1,1,9,,,1,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, (FLUOROMETHYL)-",000350-50-5,9591,fluoromethylbenzene,C1=CC=C(C=C1)CF,"InChI=1S/C7H7F/c8-6-7-4-2-1-3-5-7/h1-5H,6H2",MBXXQYJBFRRFCK-UHFFFAOYSA-N,C7H7F,110.13,110.0531784,2.5,0,55,0,0,1,1,8,,,0,1,1,1,0,1,0,1,1,0,0,0,0,0,0,0,1,1,1,1
"BENZENE, 1-(CHLOROMETHYL)-4-FLUORO-",000352-11-4,9602,1-(chloromethyl)-4-fluorobenzene,C1=CC(=CC=C1CCl)F,"InChI=1S/C7H6ClF/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2",IZXWCDITFDNEBY-UHFFFAOYSA-N,C7H6ClF,144.57,144.014206,2.6,0,77,0,0,1,1,9,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
BENZOYL FLUORIDE,000455-32-3,67999,benzoyl fluoride,C1=CC=C(C=C1)C(=O)F,InChI=1S/C7H5FO/c8-7(9)6-4-2-1-3-5-6/h1-5H,HPMLGNIUXVXALD-UHFFFAOYSA-N,C7H5FO,124.11,124.0324429,2.3,17.1,105,0,0,2,1,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"SILANE, DICHLOROPHENYL-",001631-84-1,6327324,,C1=CC=C(C=C1)[Si](Cl)Cl,InChI=1S/C6H5Cl2Si/c7-9(8)6-4-2-1-3-5-6/h1-5H,XNAFLNBULDHNJS-UHFFFAOYSA-N,C6H5Cl2Si,176.09,174.9537571,,0,79,0,0,0,0,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1-METHYL-4-(2-PROPENYL)-",003333-13-9,76851,1-methyl-4-prop-2-enylbenzene,CC1=CC=C(C=C1)CC=C,"InChI=1S/C10H12/c1-3-4-10-7-5-9(2)6-8-10/h3,5-8H,1,4H2,2H3",WAEOXIOXMKNFLQ-UHFFFAOYSA-N,C10H12,132.2,132.0939004,3.4,0,96,0,0,0,2,10,,,0,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"BENZENECARBOPEROXOIC ACID, 1,1-DIMETHYLPROPYL ESTER",004511-39-1,78267,2-methylbutan-2-yl benzenecarboperoxoate,CCC(C)(C)OOC(=O)C1=CC=CC=C1,"InChI=1S/C12H16O3/c1-4-12(2,3)15-14-11(13)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3",RFSCGDQQLKVJEJ-UHFFFAOYSA-N,C12H16O3,208.25,208.1099444,3.3,35.5,205,0,0,3,5,15,,,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,1,0,0,0,0
BETA-METHYLSTYRENE,000637-50-3,12500,prop-1-enylbenzene,CC=CC1=CC=CC=C1,"InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3",QROGIFZRVHSFLM-UHFFFAOYSA-N,C9H10,118.18,118.0782503,3.2,0,86,0,0,0,1,9,,175.5 °C,0,0,0,0,1,0,1,1,1,0,0,0,0,1,0,0,0,1,0,1
TRANS-BETA-METHYLSTYRENE,000873-66-5,252325,[(E)-prop-1-enyl]benzene,C/C=C/C1=CC=CC=C1,"InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3/b6-2+",QROGIFZRVHSFLM-QHHAFSJGSA-N,C9H10,118.18,118.0782503,3.2,0,86,0,0,0,1,9,52 °C,175 °C,0,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,1,0,0,1
4-ETHYLVINYLBENZENE (4-ETHYLBENZENE),003454-07-7,18940,1-ethenyl-4-ethylbenzene,CCC1=CC=C(C=C1)C=C,"InChI=1S/C10H12/c1-3-9-5-7-10(4-2)8-6-9/h3,5-8H,1,4H2,2H3",WHFHDVDXYKOSKI-UHFFFAOYSA-N,C10H12,132.2,132.0939004,3.5,0,96,0,0,0,2,10,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"NEODECANEPEROXOIC ACID, 1-METHYL-1-PHENYLETHYL ESTER",026748-47-0,101871127,"2-phenylpropan-2-yl 2,2-dimethyloctaneperoxoate",CCCCCCC(C)(C)C(=O)OOC(C)(C)C1=CC=CC=C1,"InChI=1S/C19H30O3/c1-6-7-8-12-15-18(2,3)17(20)21-22-19(4,5)16-13-10-9-11-14-16/h9-11,13-14H,6-8,12,15H2,1-5H3",NUIZZJWNNGJSGL-UHFFFAOYSA-N,C19H30O3,306.4,306.2194948,6.2,35.5,328,0,0,3,10,22,,,0,0,0,0,1,0,0,0,1,0,0,0,1,0,0,1,1,0,0,0
P-XYLENE,000106-42-3,7809,"1,4-xylene",CC1=CC=C(C=C1)C,"InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3",URLKBWYHVLBVBO-UHFFFAOYSA-N,C8H10,106.16,106.0782503,3.2,0,48,0,0,0,0,8,"81 °F (NTP, 1992)","280.9 °F at 760 mmHg (NTP, 1992)",0,1,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
MESITYLENE,000108-67-8,7947,"1,3,5-trimethylbenzene",CC1=CC(=CC(=C1)C)C,"InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3",AUHZEENZYGFFBQ-UHFFFAOYSA-N,C9H12,120.19,120.0939004,3.4,0,55,0,0,0,0,9,"122 °F (NIOSH, 2024)","329 °F at 760 mmHg (NIOSH, 2024)",0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,1
BROMOBENZENE,000108-86-1,7961,bromobenzene,C1=CC=C(C=C1)Br,InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H,QARVLSVVCXYDNA-UHFFFAOYSA-N,C6H5Br,157.01,155.95746,3,0,46,0,0,0,0,7,"123.8 °F (NTP, 1992)","313 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
M-BROMOTOLUENE,000591-17-3,11560,1-bromo-3-methylbenzene,CC1=CC(=CC=C1)Br,"InChI=1S/C7H7Br/c1-6-3-2-4-7(8)5-6/h2-5H,1H3",WJIFKOVZNJTSGO-UHFFFAOYSA-N,C7H7Br,171.03,169.97311,3.3,0,70,0,0,0,0,8,"140 °F (NTP, 1992)","362.7 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ANISOLE,000100-66-3,7519,anisole,COC1=CC=CC=C1,"InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3",RDOXTESZEPMUJZ-UHFFFAOYSA-N,C7H8O,108.14,108.0575149,2.1,9.2,55,0,0,1,1,8,"125 °F (NFPA, 2010)",155.5 °C AT 760 MM HG,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
PHENETOLE,000103-73-1,7674,ethoxybenzene,CCOC1=CC=CC=C1,"InChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3",DLRJIFUOBPOJNS-UHFFFAOYSA-N,C8H10O,122.16,122.0731649,2.5,9.2,65,0,0,1,2,9,145 °F (63 °C)OC,171-173 °C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
ALPHA-METHYL STYRENE,000098-83-9,7407,prop-1-en-2-ylbenzene,CC(=C)C1=CC=CC=C1,"InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3",XYLMUPLGERFSHI-UHFFFAOYSA-N,C9H10,118.18,118.0782503,3.5,0,96,0,0,0,1,9,"129 °F (NTP, 1992)","329.7 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1
O-BROMOFLUOROBENZENE,001072-85-1,61259,1-bromo-2-fluorobenzene,C1=CC=C(C(=C1)F)Br,InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H,IPWBFGUBXWMIPR-UHFFFAOYSA-N,C6H4BrF,175,173.94804,2.7,0,74,0,0,1,0,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
P-XYLENE-D10,041051-88-1,566957,"1,2,4,5-tetradeuterio-3,6-bis(trideuteriomethyl)benzene",[2H]C1=C(C(=C(C(=C1C([2H])([2H])[2H])[2H])[2H])C([2H])([2H])[2H])[2H],"InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3/i1D3,2D3,3D,4D,5D,6D",URLKBWYHVLBVBO-ZGYYUIRESA-N,C8H10,116.23,116.1410178,3.2,0,48,0,0,0,0,8,,,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"1,2,4-TRIMETHYLBENZENE",000095-63-6,7247,"1,2,4-trimethylbenzene",CC1=CC(=C(C=C1)C)C,"InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3",GWHJZXXIDMPWGX-UHFFFAOYSA-N,C9H12,120.19,120.0939004,3,0,86,0,0,0,0,9,"111 °F (USCG, 1999)","334.4 °F at 760 mmHg (USCG, 1999)",0,0,1,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
ISOBUTYLBENZENE,000538-93-2,10870,2-methylpropylbenzene,CC(C)CC1=CC=CC=C1,"InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",KXUHSQYYJYAXGZ-UHFFFAOYSA-N,C10H14,134.22,134.1095504,3.9,0,78,0,0,0,2,10,,,1,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
M-AMINOPHENYLACETYLENE,054060-30-9,104682,3-ethynylaniline,C#CC1=CC(=CC=C1)N,"InChI=1S/C8H7N/c1-2-7-4-3-5-8(9)6-7/h1,3-6H,9H2",NNKQLUVBPJEUOR-UHFFFAOYSA-N,C8H7N,117.15,117.0578492,1.3,26,131,0,1,1,1,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-(TRIFLUOROMETHYL)PHENYL ISOCYANATE,002285-12-3,16794,1-isocyanato-2-(trifluoromethyl)benzene,C1=CC=C(C(=C1)C(F)(F)F)N=C=O,"InChI=1S/C8H4F3NO/c9-8(10,11)6-3-1-2-4-7(6)12-5-13/h1-4H",GZWGTVZRRFPVAS-UHFFFAOYSA-N,C8H4F3NO,187.12,187.0244982,3.6,29.4,220,0,0,5,1,13,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
PHENYLTRIMETHOXYSILANE,002996-92-1,18137,trimethoxy(phenyl)silane,CO[Si](C1=CC=CC=C1)(OC)OC,"InChI=1S/C9H14O3Si/c1-10-13(11-2,12-3)9-7-5-4-6-8-9/h4-8H,1-3H3",ZNOCGWVLWPVKAO-UHFFFAOYSA-N,C9H14O3Si,198.29,198.0712208,,27.7,134,0,0,3,4,13,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,1,1
"1,3-BIS(TRIFLUOROMETHYL)BENZENE",000402-31-3,223106,"1,3-bis(trifluoromethyl)benzene",C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F,"InChI=1S/C8H4F6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-4H",SJBBXFLOLUTGCW-UHFFFAOYSA-N,C8H4F6,214.11,214.0217191,3.8,0,171,0,0,6,0,14,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
BROMOBENZENE-D5,004165-57-5,2723968,"1-bromo-2,3,4,5,6-pentadeuteriobenzene",[2H]C1=C(C(=C(C(=C1[2H])[2H])Br)[2H])[2H],"InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D",QARVLSVVCXYDNA-RALIUCGRSA-N,C6H5Br,162.04,160.98885,3,0,46,0,0,0,0,7,,,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
BENZYL METHYL ETHER,000538-86-3,10869,methoxymethylbenzene,COCC1=CC=CC=C1,"InChI=1S/C8H10O/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3",GQKZBCPTCWJTAS-UHFFFAOYSA-N,C8H10O,122.16,122.0731649,1.9,9.2,65,0,0,1,2,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
STYRENE-D8,019361-62-7,88025,"1,2,3,4,5-pentadeuterio-6-(1,2,2-trideuterioethenyl)benzene",[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=C([2H])[2H])[2H])[2H])[2H],"InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2/i1D2,2D,3D,4D,5D,6D,7D",PPBRXRYQALVLMV-GDALLCCDSA-N,C8H8,112.2,112.1128142,2.9,0,68,0,0,0,1,8,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
CHLOROBENZENE-D5,003114-55-4,575975,"1-chloro-2,3,4,5,6-pentadeuteriobenzene",[2H]C1=C(C(=C(C(=C1[2H])[2H])Cl)[2H])[2H],"InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D",MVPPADPHJFYWMZ-RALIUCGRSA-N,C6H5Cl,117.59,117.0393616,2.9,0,46,0,0,0,0,7,,,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
"1-METHYL-2-(1,1,2,2,-TETRAFLUOROETHOXY)BENZENE",042145-66-4,2776650,"1-methyl-2-(1,1,2,2-tetrafluoroethoxy)benzene",CC1=CC=CC=C1OC(C(F)F)(F)F,"InChI=1S/C9H8F4O/c1-6-4-2-3-5-7(6)14-9(12,13)8(10)11/h2-5,8H,1H3",OHXFFMAUQJFAAF-UHFFFAOYSA-N,C9H8F4O,208.15,208.0511275,4.4,9.2,184,0,0,5,3,14,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
PENTAFLUOROBENZONITRILE,000773-82-0,69882,"2,3,4,5,6-pentafluorobenzonitrile",C(#N)C1=C(C(=C(C(=C1F)F)F)F)F,InChI=1S/C7F5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10,YXWJGZQOGXGSSC-UHFFFAOYSA-N,C7F5N,193.07,192.9950898,2.1,23.8,220,0,0,6,0,13,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,2,2-TRIFLUOROACETOPHENONE",000434-45-7,9905,"2,2,2-trifluoro-1-phenylethanone",C1=CC=C(C=C1)C(=O)C(F)(F)F,"InChI=1S/C8H5F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5H",KZJRKRQSDZGHEC-UHFFFAOYSA-N,C8H5F3O,174.12,174.0292493,2.1,17.1,168,0,0,4,1,12,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
4-FLUOROANISOLE,000459-60-9,9987,1-fluoro-4-methoxybenzene,COC1=CC=C(C=C1)F,"InChI=1S/C7H7FO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3",VIPWUFMFHBIKQI-UHFFFAOYSA-N,C7H7FO,126.13,126.048093,2.3,9.2,77,0,0,2,1,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-FLUOROBENZALDEHYDE,000456-48-4,68009,3-fluorobenzaldehyde,C1=CC(=CC(=C1)F)C=O,InChI=1S/C7H5FO/c8-7-3-1-2-6(4-7)5-9/h1-5H,PIKNVEVCWAAOMJ-UHFFFAOYSA-N,C7H5FO,124.11,124.0324429,1.8,17.1,103,0,0,2,1,9,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
PHENYLTRIETHOXYSILANE,000780-69-8,13075,triethoxy(phenyl)silane,CCO[Si](C1=CC=CC=C1)(OCC)OCC,"InChI=1S/C12H20O3Si/c1-4-13-16(14-5-2,15-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3",JCVQKRGIASEUKR-UHFFFAOYSA-N,C12H20O3Si,240.37,240.118171,,27.7,164,0,0,3,7,16,,,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,1,0
4'-TERT-BUTYLACETOPHENONE,000943-27-1,13669,1-(4-tert-butylphenyl)ethanone,CC(=O)C1=CC=C(C=C1)C(C)(C)C,"InChI=1S/C12H16O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-8H,1-4H3",UYFJYGWNYQCHOB-UHFFFAOYSA-N,C12H16O,176.25,176.1201151,3.4,17.1,180,0,0,1,2,13,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,1,1,3,3,3-HEXAFLUORO-2-PHENYL-2-PROPANOL",000718-64-9,69748,"1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol",C1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O,"InChI=1S/C9H6F6O/c10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6/h1-5,16H",IZPIZCAYJQCTNG-UHFFFAOYSA-N,C9H6F6O,244.13,244.0322838,3.4,20.2,223,0,1,7,1,16,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-BROMO-3-(TRIFLUOROMETHYL)BENZENE,000401-78-5,9817,1-bromo-3-(trifluoromethyl)benzene,C1=CC(=CC(=C1)Br)C(F)(F)F,"InChI=1S/C7H4BrF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H",NNMBNYHMJRJUBC-UHFFFAOYSA-N,C7H4BrF3,225.01,223.94485,4,0,132,0,0,3,0,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
N-BENZYLOXYCARBONYL-L-LEUCINE,002018-66-8,74840,(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid,CC(C)C[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1,"InChI=1S/C14H19NO4/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17)/t12-/m0/s1",USPFMEKVPDBMCG-LBPRGKRZSA-N,C14H19NO4,265.3,265.1314081,2.8,75.6,298,0,2,4,7,19,,,0,0,0,0,0,1,0,1,1,0,0,0,0,1,0,0,1,0,0,1
"ALPHA,ALPHA,ALPHA-TRIFLUORO-P-XYLENE",006140-17-6,80230,1-methyl-4-(trifluoromethyl)benzene,CC1=CC=C(C=C1)C(F)(F)F,"InChI=1S/C8H7F3/c1-6-2-4-7(5-3-6)8(9,10)11/h2-5H,1H3",LRLRAYMYEXQKID-UHFFFAOYSA-N,C8H7F3,160.14,160.0499847,3.3,0,120,0,0,3,0,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
M-XYLENE-D6,029636-65-5,71308906,"1,3-bis(trideuteriomethyl)benzene",[2H]C([2H])([2H])C1=CC(=CC=C1)C([2H])([2H])[2H],"InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3/i1D3,2D3",IVSZLXZYQVIEFR-WFGJKAKNSA-N,C8H10,112.2,112.1159108,3.2,0,58,0,0,0,0,8,,,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
O-XYLENE-D6,025319-54-4,16213276,"1,2-bis(trideuteriomethyl)benzene",[2H]C([2H])([2H])C1=CC=CC=C1C([2H])([2H])[2H],"InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3/i1D3,2D3",CTQNGGLPUBDAKN-WFGJKAKNSA-N,C8H10,112.2,112.1159108,3.1,0,56,0,0,0,0,8,,,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
2-ETHYNYLTOLUENE,000766-47-2,136598,1-ethynyl-2-methylbenzene,CC1=CC=CC=C1C#C,"InChI=1S/C9H8/c1-3-9-7-5-4-6-8(9)2/h1,4-7H,2H3",MYBSUWNEMXUTAX-UHFFFAOYSA-N,C9H8,116.16,116.0626003,2.5,0,126,0,0,0,1,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,3-DIFLUOROBENZALDEHYDE",002646-91-5,137664,"2,3-difluorobenzaldehyde",C1=CC(=C(C(=C1)F)F)C=O,InChI=1S/C7H4F2O/c8-6-3-1-2-5(4-10)7(6)9/h1-4H,WDBAXYQUOZDFOJ-UHFFFAOYSA-N,C7H4F2O,142.1,142.0230211,1.6,17.1,127,0,0,3,1,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-FLUOROANISOLE,000321-28-8,67576,1-fluoro-2-methoxybenzene,COC1=CC=CC=C1F,"InChI=1S/C7H7FO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3",JIXDOBAQOWOUPA-UHFFFAOYSA-N,C7H7FO,126.13,126.048093,2.1,9.2,85,0,0,2,1,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2,4-DIFLUOROBENZALDEHYDE",001550-35-2,73770,"2,4-difluorobenzaldehyde",C1=CC(=C(C=C1F)F)C=O,InChI=1S/C7H4F2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4H,WCGPCBACLBHDCI-UHFFFAOYSA-N,C7H4F2O,142.1,142.0230211,1.8,17.1,127,0,0,3,1,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
2-CHLORO-5-FLUOROTOLUENE,033406-96-1,118475,1-chloro-4-fluoro-2-methylbenzene,CC1=C(C=CC(=C1)F)Cl,"InChI=1S/C7H6ClF/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3",NIOGDCDTKPQEAT-UHFFFAOYSA-N,C7H6ClF,144.57,144.014206,3.6,0,94,0,0,1,0,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-BROMO-2,3,5,6-TETRAFLUOROBENZENE",001559-88-2,73794,"3-bromo-1,2,4,5-tetrafluorobenzene",C1=C(C(=C(C(=C1F)F)Br)F)F,InChI=1S/C6HBrF4/c7-4-5(10)2(8)1-3(9)6(4)11/h1H,YHAFCGSUIAFUCX-UHFFFAOYSA-N,C6HBrF4,228.97,227.91978,3.1,0,129,0,0,4,0,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-CHLORO-2-(TRIFLUOROMETHYL)-",000088-16-4,6921,1-chloro-2-(trifluoromethyl)benzene,C1=CC=C(C(=C1)C(F)(F)F)Cl,"InChI=1S/C7H4ClF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H",DGRVQOKCSKDWIH-UHFFFAOYSA-N,C7H4ClF3,180.55,179.9953623,3.5,0,132,0,0,3,0,11,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-CHLORO-3-(TRIFLUOROMETHYL)-",000098-15-7,7374,1-chloro-3-(trifluoromethyl)benzene,C1=CC(=CC(=C1)Cl)C(F)(F)F,"InChI=1S/C7H4ClF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H",YTCGOUNVIAWCMG-UHFFFAOYSA-N,C7H4ClF3,180.55,179.9953623,3.9,0,132,0,0,3,0,11,"117 °F (NFPA, 2010)",,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-METHOXY-3-METHYL-",000100-84-5,7530,1-methoxy-3-methylbenzene,CC1=CC(=CC=C1)OC,"InChI=1S/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3",OSIGJGFTADMDOB-UHFFFAOYSA-N,C8H10O,122.16,122.0731649,2.7,9.2,80,0,0,1,1,9,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"BENZENEACETONITRILE, 2-FLUORO-",000326-62-5,67592,2-(2-fluorophenyl)acetonitrile,C1=CC=C(C(=C1)CC#N)F,"InChI=1S/C8H6FN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2",DAVJMKMVLKOQQC-UHFFFAOYSA-N,C8H6FN,135.14,135.0484274,1.9,23.8,147,0,0,2,1,10,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-CHLORO-2-FLUORO-",000348-51-6,9583,1-chloro-2-fluorobenzene,C1=CC=C(C(=C1)F)Cl,InChI=1S/C6H4ClF/c7-5-3-1-2-4-6(5)8/h1-4H,ZCJAYDKWZAWMPR-UHFFFAOYSA-N,C6H4ClF,130.55,129.998556,2.7,0,74,0,0,1,0,8,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, PENTAFLUOROMETHOXY-",000389-40-2,67849,"1,2,3,4,5-pentafluoro-6-methoxybenzene",COC1=C(C(=C(C(=C1F)F)F)F)F,InChI=1S/C7H3F5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3,ZRQUIRABLIQJRI-UHFFFAOYSA-N,C7H3F5O,198.09,198.0104055,2.4,9.2,162,0,0,6,1,13,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1-BROMO-2-(TRIFLUOROMETHYL)-",000392-83-6,9806,1-bromo-2-(trifluoromethyl)benzene,C1=CC=C(C(=C1)C(F)(F)F)Br,"InChI=1S/C7H4BrF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H",RWXUNIMBRXGNEP-UHFFFAOYSA-N,C7H4BrF3,225.01,223.94485,3.6,0,132,0,0,3,0,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-CHLORO-3-FLUORO-2-METHYL-",000443-83-4,9933,1-chloro-3-fluoro-2-methylbenzene,CC1=C(C=CC=C1Cl)F,"InChI=1S/C7H6ClF/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3",FNPVYRJTBXHIPB-UHFFFAOYSA-N,C7H6ClF,144.57,144.014206,3.8,0,94,0,0,1,0,9,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, (TRIFLUOROETHENYL)-",000447-14-3,67971,"1,2,2-trifluoroethenylbenzene",C1=CC=C(C=C1)C(=C(F)F)F,InChI=1S/C8H5F3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,SUTQSIHGGHVXFK-UHFFFAOYSA-N,C8H5F3,158.12,158.0343347,2.7,0,153,0,0,3,1,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, TRIFLUORO-, PHENYL ESTER",000500-73-2,68143,"phenyl 2,2,2-trifluoroacetate",C1=CC=C(C=C1)OC(=O)C(F)(F)F,"InChI=1S/C8H5F3O2/c9-8(10,11)7(12)13-6-4-2-1-3-5-6/h1-5H",DVCMYAIUSOSIQP-UHFFFAOYSA-N,C8H5F3O2,190.12,190.0241639,2.6,26.3,182,0,0,5,2,13,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-ETHENYL-2-METHOXY-",000612-15-7,61153,1-ethenyl-2-methoxybenzene,COC1=CC=CC=C1C=C,"InChI=1S/C9H10O/c1-3-8-6-4-5-7-9(8)10-2/h3-7H,1H2,2H3",SFBTTWXNCQVIEC-UHFFFAOYSA-N,C9H10O,134.17,134.0731649,2.6,9.2,109,0,0,1,2,10,,197.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"SILANE, METHYLPHENYL-",000766-08-5,69836,methyl(phenyl)silane,C[SiH2]C1=CC=CC=C1,"InChI=1S/C7H10Si/c1-8-7-5-3-2-4-6-7/h2-6H,8H2,1H3",QRLBICHXRCOJDU-UHFFFAOYSA-N,C7H10Si,122.24,122.0551769,,0,55,0,0,0,1,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"SILANE, TRIMETHYL(PHENYLMETHYL)-",000770-09-2,69862,benzyl(trimethyl)silane,C[Si](C)(C)CC1=CC=CC=C1,"InChI=1S/C10H16Si/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3",MRIWRLGWLMRJIW-UHFFFAOYSA-N,C10H16Si,164.32,164.102127,,0,107,0,0,0,2,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 2-METHOXY-4-METHYL-1-(1-METHYLETHYL)-",001076-56-8,14104,2-methoxy-4-methyl-1-propan-2-ylbenzene,CC1=CC(=C(C=C1)C(C)C)OC,"InChI=1S/C11H16O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-8H,1-4H3",LSQXNMXDFRRDSJ-UHFFFAOYSA-N,C11H16O,164.24,164.1201151,3.8,9.2,131,0,0,1,2,12,,214.00 to 216.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
STYRENE ALPHA-D1,001193-80-2,12998939,1-deuterioethenylbenzene,[2H]C(=C)C1=CC=CC=C1,"InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2/i2D",PPBRXRYQALVLMV-VMNATFBRSA-N,C8H8,105.15,105.068877,2.9,0,68,0,0,0,1,8,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 2-METHYL-, PHENYL ESTER",002177-70-0,75121,phenyl 2-methylprop-2-enoate,CC(=C)C(=O)OC1=CC=CC=C1,"InChI=1S/C10H10O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h3-7H,1H2,2H3",QIWKUEJZZCOPFV-UHFFFAOYSA-N,C10H10O2,162.18,162.0680796,2.6,26.3,178,0,0,2,3,12,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETONITRILE, 3-(TRIFLUOROMETHYL)-",002338-76-3,75360,2-[3-(trifluoromethyl)phenyl]acetonitrile,C1=CC(=CC(=C1)C(F)(F)F)CC#N,"InChI=1S/C9H6F3N/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2",JOIYKSLWXLFGGR-UHFFFAOYSA-N,C9H6F3N,185.15,185.0452337,2.8,23.8,213,0,0,4,1,13,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"SILANE, TRIMETHYL(PHENYLTHIO)-",004551-15-9,78312,trimethyl(phenylsulfanyl)silane,C[Si](C)(C)SC1=CC=CC=C1,"InChI=1S/C9H14SSi/c1-11(2,3)10-9-7-5-4-6-8-9/h4-8H,1-3H3",VJMQFIRIMMSSRW-UHFFFAOYSA-N,C9H14SSi,182.36,182.0585482,,25.3,111,0,0,1,2,11,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"STYRENE-2,3,4,5,6-D6",005161-29-5,12998940,"1,2,3,4,5-pentadeuterio-6-ethenylbenzene",[2H]C1=C(C(=C(C(=C1[2H])[2H])C=C)[2H])[2H],"InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2/i3D,4D,5D,6D,7D",PPBRXRYQALVLMV-DKFMXDSJSA-N,C8H8,109.18,109.093984,2.9,0,68,0,0,0,1,8,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"2-PENTANONE, 4-METHYL-1-PHENYL-",005349-62-2,219672,4-methyl-1-phenylpentan-2-one,CC(C)CC(=O)CC1=CC=CC=C1,"InChI=1S/C12H16O/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",DTYGTEGDVPAKDA-UHFFFAOYSA-N,C12H16O,176.25,176.1201151,2.7,17.1,155,0,0,1,4,13,,250.00 to 251.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1-(2,2-DIMETHOXYETHOXY)-4-METHYL-",006324-78-3,80614,"1-(2,2-dimethoxyethoxy)-4-methylbenzene",CC1=CC=C(C=C1)OCC(OC)OC,"InChI=1S/C11H16O3/c1-9-4-6-10(7-5-9)14-8-11(12-2)13-3/h4-7,11H,8H2,1-3H3",QRKQKOWDVJJBOE-UHFFFAOYSA-N,C11H16O3,196.24,196.1099444,2.1,27.7,137,0,0,3,5,14,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"BENZENETHIOL, 2,4-DIMETHYL-",013616-82-5,83617,"2,4-dimethylbenzenethiol",CC1=CC(=C(C=C1)S)C,"InChI=1S/C8H10S/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3",AMNLXDDJGGTIPL-UHFFFAOYSA-N,C8H10S,138.23,138.0503215,2.8,1,90,0,1,1,0,9,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-HYDROXY-5-METHYL-, ETHYL ESTER",034265-58-2,118629,ethyl 2-hydroxy-5-methylbenzoate,CCOC(=O)C1=C(C=CC(=C1)C)O,"InChI=1S/C10H12O3/c1-3-13-10(12)8-6-7(2)4-5-9(8)11/h4-6,11H,3H2,1-2H3",ZGYXABNSOOACGL-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,3.5,46.5,179,0,1,3,3,13,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"ACETALDEHYDE, (4-METHYLPHENOXY)-",067845-46-9,105764,2-(4-methylphenoxy)acetaldehyde,CC1=CC=C(C=C1)OCC=O,"InChI=1S/C9H10O2/c1-8-2-4-9(5-3-8)11-7-6-10/h2-6H,7H2,1H3",KWNAUDMYKHHEOA-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,1.8,26.3,115,0,0,2,3,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,1,0,0
"POLY(METHYLPHENYLSILOXANE), 710 FLUID, VISCOSITY 500 CENTISTOKES",,140300,methoxy-dimethyl-phenylsilane,CO[Si](C)(C)C1=CC=CC=C1,"InChI=1S/C9H14OSi/c1-10-11(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3",REQXNMOSXYEQLM-UHFFFAOYSA-N,C9H14OSi,166.29,166.0813916,,9.2,117,0,0,1,2,11,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
(S)-.ALPHA.-METHYLBENZENEETHANAMINE,000051-64-9,5826,(2S)-1-phenylpropan-2-amine,C[C@@H](CC1=CC=CC=C1)N,"InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1",KWTSXDURSIMDCE-QMMMGPOBSA-N,C9H13N,135.21,135.1047994,1.8,26,84,0,1,1,2,10,,203.5 °C,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"Phenethylamine, alpha-methyl-",000060-15-1,3007,1-phenylpropan-2-amine,CC(CC1=CC=CC=C1)N,"InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3",KWTSXDURSIMDCE-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,1.8,26,84,0,1,1,2,10,"80 °F (EPA, 1998)","392 to 397 °F at 760 mmHg (EPA, 1998)",0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
O-XYLENE,000095-47-6,7237,"1,2-xylene",CC1=CC=CC=C1C,"InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3",CTQNGGLPUBDAKN-UHFFFAOYSA-N,C8H10,106.16,106.0782503,3.1,0,56,0,0,0,0,8,"63 °F (NTP, 1992)","289 to 293 °F at 760 mmHg (NTP, 1992)",0,1,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
P-TERT-BUTYL TOLUENE,000098-51-1,7390,1-tert-butyl-4-methylbenzene,CC1=CC=C(C=C1)C(C)(C)C,"InChI=1S/C11H16/c1-9-5-7-10(8-6-9)11(2,3)4/h5-8H,1-4H3",QCWXDVFBZVHKLV-UHFFFAOYSA-N,C11H16,148.24,148.1252005,4.5,0,110,0,0,0,1,11,"136 °F (NTP, 1992)","379 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,1,1,0,0,0,0,1,0,0,1,0,0,1
POLYETHYLENE GLYCOL NONYLPHENYL ETHER AMMONIUM SULFATE,009051-57-4,24778,azanium 2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethyl sulfate,CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOS(=O)(=O)[O-].[NH4+],"InChI=1S/C23H40O8S.H3N/c1-2-3-4-5-6-7-8-9-22-10-12-23(13-11-22)30-20-18-28-16-14-27-15-17-29-19-21-31-32(24,25)26;/h10-13H,2-9,14-21H2,1H3,(H,24,25,26);1H3",XMRUJYGYYCLRGJ-UHFFFAOYSA-N,C23H43NO8S,493.7,493.2709385,,113,487,0,1,8,21,33,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
O-BROMOPHENOL,000095-56-7,7244,2-bromophenol,C1=CC=C(C(=C1)O)Br,"InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H",VADKRMSMGWJZCF-UHFFFAOYSA-N,C6H5BrO,173.01,171.95238,2.4,20.2,74,0,1,1,0,8,107.6 °F (42 °C) closed cup,194.5 °C,1,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
DIVINYL BENZENE,000108-57-6,7941,"1,3-bis(ethenyl)benzene",C=CC1=CC(=CC=C1)C=C,"InChI=1S/C10H10/c1-3-9-6-5-7-10(4-2)8-9/h3-8H,1-2H2",PRJNEUBECVAVAG-UHFFFAOYSA-N,C10H10,130.19,130.0782503,3.7,0,110,0,0,0,2,10,,,0,0,0,0,0,0,1,1,1,0,0,0,0,1,0,0,1,0,1,0
"BENZENE, 1,3-BIS(ISOCYANATOMETHYL)-",003634-83-1,19262,"1,3-bis(isocyanatomethyl)benzene",C1=CC(=CC(=C1)CN=C=O)CN=C=O,"InChI=1S/C10H8N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h1-4H,5-6H2",RTTZISZSHSCFRH-UHFFFAOYSA-N,C10H8N2O2,188.18,188.0585775,3.4,58.9,239,0,0,4,4,14,,,0,0,1,0,0,0,1,1,1,0,0,0,0,0,1,0,1,1,1,1
STYRENE,000100-42-5,7501,styrene,C=CC1=CC=CC=C1,"InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2",PPBRXRYQALVLMV-UHFFFAOYSA-N,C8H8,104.15,104.0626003,2.9,0,68,0,0,0,1,8,"88 °F (NTP, 1992)","293 to 295 °F at 760 mmHg (NTP, 1992)",0,0,1,0,0,0,0,1,1,0,0,0,0,1,0,0,1,0,1,0
1-CHLORO-4-(TRIFLUOROMETHYL)BENZENE,000098-56-6,7394,1-chloro-4-(trifluoromethyl)benzene,C1=CC(=CC=C1C(F)(F)F)Cl,"InChI=1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H",QULYNCCPRWKEMF-UHFFFAOYSA-N,C7H4ClF3,180.55,179.9953623,3.8,0,124,0,0,3,0,11,"117 °F (NTP, 1992)","277 to 280 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,1
CHLOROBENZENE,000108-90-7,7964,chlorobenzene,C1=CC=C(C=C1)Cl,InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H,MVPPADPHJFYWMZ-UHFFFAOYSA-N,C6H5Cl,112.55,112.0079779,2.9,0,46,0,0,0,0,7,"75 °F (NTP, 1992)","270 °F at 760 mmHg (NTP, 1992)",0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
P-CYMENE,000099-87-6,7463,1-methyl-4-propan-2-ylbenzene,CC1=CC=C(C=C1)C(C)C,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",HFPZCAJZSCWRBC-UHFFFAOYSA-N,C10H14,134.22,134.1095504,4.1,0,86,0,0,0,1,10,"117 °F (USCG, 1999)","351 °F at 760 mmHg (USCG, 1999)",0,0,1,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
TRIMETHYL BENZENE,025551-13-7,10686,"1,2,3-trimethylbenzene",CC1=C(C(=CC=C1)C)C,"InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3",FYGHSUNMUKGBRK-UHFFFAOYSA-N,C9H12,120.19,120.0939004,3.6,0,76,0,0,0,0,9,44 to 53 °C (closed cup),176.12 °C,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"3,5-DIMETHYLANISOLE",000874-63-5,70126,"1-methoxy-3,5-dimethylbenzene",CC1=CC(=CC(=C1)OC)C,"InChI=1S/C9H12O/c1-7-4-8(2)6-9(5-7)10-3/h4-6H,1-3H3",JCHJBEZBHANKGA-UHFFFAOYSA-N,C9H12O,136.19,136.088815,2.7,9.2,90,0,0,1,1,10,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-CHLORO-4-(1-METHYLETHYL)-",002621-46-7,17493,1-chloro-4-propan-2-ylbenzene,CC(C)C1=CC=C(C=C1)Cl,"InChI=1S/C9H11Cl/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3",FHBSIIZALGOVLM-UHFFFAOYSA-N,C9H11Cl,154.63,154.054928,3.9,0,90,0,0,0,1,10,,,0,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
"BENZENETHIOL, 2,3-DIMETHYL-",018800-51-6,87798,"2,3-dimethylbenzenethiol",CC1=C(C(=CC=C1)S)C,"InChI=1S/C8H10S/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3",NDKJATAIMQKTPM-UHFFFAOYSA-N,C8H10S,138.23,138.0503215,3.2,1,90,0,1,1,0,9,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
4-CHLORO-4'-FLUOROBUTYROPHENONE,003874-54-2,19750,4-chloro-1-(4-fluorophenyl)butan-1-one,C1=CC(=CC=C1C(=O)CCCCl)F,"InChI=1S/C10H10ClFO/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2",HXAOUYGZEOZTJO-UHFFFAOYSA-N,C10H10ClFO,200.64,200.0404208,2.6,17.1,164,0,0,2,4,13,,,1,0,0,1,0,0,1,1,1,0,1,0,0,0,0,0,1,1,0,1
4-METHOXY-ALPHA-METHYLBENZYL ALCOHOL,003319-15-1,101148,1-(4-methoxyphenyl)ethanol,CC(C1=CC=C(C=C1)OC)O,"InChI=1S/C9H12O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7,10H,1-2H3",IUUULXXWNYKJSL-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,1.8,29.5,106,0,1,2,2,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(DIMETHYLPHENYL)-",001335-42-8,14921,"1-(3,5-dimethylphenyl)ethanone",CC1=CC(=CC(=C1)C(=O)C)C,"InChI=1S/C10H12O/c1-7-4-8(2)6-10(5-7)9(3)11/h4-6H,1-3H3",BKIHFZLJJUNKMZ-UHFFFAOYSA-N,C10H12O,148.2,148.088815,2.4,17.1,141,0,0,1,1,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-CHLORO-3-METHOXY-",002845-89-8,17833,1-chloro-3-methoxybenzene,COC1=CC(=CC=C1)Cl,"InChI=1S/C7H7ClO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3",YUKILTJWFRTXGB-UHFFFAOYSA-N,C7H7ClO,142.58,142.0185425,3,9.2,85,0,0,1,1,9,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-PROPANONE, 1-BROMO-1-PHENYL-",023022-83-5,90870,1-bromo-1-phenylpropan-2-one,CC(=O)C(C1=CC=CC=C1)Br,"InChI=1S/C9H9BrO/c1-7(11)9(10)8-5-3-2-4-6-8/h2-6,9H,1H3",LHMXBAUNIRFZCP-UHFFFAOYSA-N,C9H9BrO,213.07,211.98368,2.4,17.1,138,0,0,1,2,11,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,2,4,5-TETRAMETHYLBENZENE",000095-93-2,7269,"1,2,4,5-tetramethylbenzene",CC1=CC(=C(C=C1C)C)C,"InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3",SQNZJJAZBFDUTD-UHFFFAOYSA-N,C10H14,134.22,134.1095504,4,0,80,0,0,0,0,10,"130 °F (NFPA, 2010)","386.2 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0
1-IODO-3-NITROBENZENE,000645-00-1,12574,1-iodo-3-nitrobenzene,C1=CC(=CC(=C1)I)[N+](=O)[O-],InChI=1S/C6H4INO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,CBYAZOKPJYBCHE-UHFFFAOYSA-N,C6H4INO2,249.01,248.92868,2.9,45.8,134,0,0,2,0,10,"161 °F (NTP, 1992)","536 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
BENZENESULFONYL HYDRAZIDE,000080-17-1,65723,benzenesulfonohydrazide,C1=CC=C(C=C1)S(=O)(=O)NN,"InChI=1S/C6H8N2O2S/c7-8-11(9,10)6-4-2-1-3-5-6/h1-5,8H,7H2",VJRITMATACIYAF-UHFFFAOYSA-N,C6H8N2O2S,172.21,172.0306487,-0.1,80.6,201,0,2,4,2,11,,,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1,0,0,0,0
2-FLUORO-4-NITROTOLUENE,001427-07-2,74025,2-fluoro-1-methyl-4-nitrobenzene,CC1=C(C=C(C=C1)[N+](=O)[O-])F,"InChI=1S/C7H6FNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3",WIQISTBTOQNVCE-UHFFFAOYSA-N,C7H6FNO2,155.13,155.0382566,2.7,45.8,157,0,0,3,0,11,,,0,1,1,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"2,3,5,6-TETRAFLUORO-P-XYLENE",000703-87-7,136549,"1,2,4,5-tetrafluoro-3,6-dimethylbenzene",CC1=C(C(=C(C(=C1F)F)C)F)F,InChI=1S/C8H6F4/c1-3-5(9)7(11)4(2)8(12)6(3)10/h1-2H3,IWKPBYPUIPVYNZ-UHFFFAOYSA-N,C8H6F4,178.13,178.0405628,3.1,0,127,0,0,4,0,12,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
4-NITROPHENYLHYDRAZINE,000100-16-3,3310889,(4-nitrophenyl)hydrazine,C1=CC(=CC=C1NN)[N+](=O)[O-],"InChI=1S/C6H7N3O2/c7-8-5-1-3-6(4-2-5)9(10)11/h1-4,8H,7H2",KMVPXBDOWDXXEN-UHFFFAOYSA-N,C6H7N3O2,153.14,153.0538265,1.4,83.9,137,0,2,4,1,11,,,0,1,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,1,0,1
"2-BROMO-4,6-DINITROANILINE",001817-73-8,15752,"2-bromo-4,6-dinitroaniline",C1=C(C=C(C(=C1[N+](=O)[O-])N)Br)[N+](=O)[O-],"InChI=1S/C6H4BrN3O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H,8H2",KWMDHCLJYMVBNS-UHFFFAOYSA-N,C6H4BrN3O4,262.02,260.93852,2.1,118,250,0,1,5,0,14,,"Sublimes (NTP, 1992)",0,0,0,0,0,0,0,1,0,1,1,0,0,0,0,0,1,0,0,1
"2,4,6-TRIFLUOROANILINE",000363-81-5,67765,"2,4,6-trifluoroaniline",C1=C(C=C(C(=C1F)N)F)F,"InChI=1S/C6H4F3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2",BJSVKBGQDHUBHZ-UHFFFAOYSA-N,C6H4F3N,147.1,147.0295836,1.5,26,108,0,1,4,0,10,,,0,1,1,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,1,1
"3,4,5-TRIFLUOROBENZONITRILE",134227-45-5,593814,"3,4,5-trifluorobenzonitrile",C1=C(C=C(C(=C1F)F)F)C#N,InChI=1S/C7H2F3N/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2H,XFKYJMGXZXJYBS-UHFFFAOYSA-N,C7H2F3N,157.09,157.0139336,2,23.8,173,0,0,4,0,11,,,0,1,1,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL",000402-45-9,67874,4-(trifluoromethyl)phenol,C1=CC(=CC=C1C(F)(F)F)O,"InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H",BAYGVMXZJBFEMB-UHFFFAOYSA-N,C7H5F3O,162.11,162.0292493,2.8,20.2,124,0,1,4,0,11,,,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, N,N-DIETHYL-4-NITROSO-",000120-22-9,67115,"N,N-diethyl-4-nitrosoaniline",CCN(CC)C1=CC=C(C=C1)N=O,"InChI=1S/C10H14N2O/c1-3-12(4-2)10-7-5-9(11-13)6-8-10/h5-8H,3-4H2,1-2H3",OLNMJIHADFYHAK-UHFFFAOYSA-N,C10H14N2O,178.23,178.1106131,2.1,32.7,149,0,0,3,3,13,,,0,1,1,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"1-PROPANONE, 1-(4-METHOXYPHENYL)-",000121-97-1,67144,1-(4-methoxyphenyl)propan-1-one,CCC(=O)C1=CC=C(C=C1)OC,"InChI=1S/C10H12O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3",ZJVAWPKTWVFKHG-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,2.4,26.3,146,0,0,2,3,12,,,0,0,1,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"BENZONITRILE, 4-(TRIFLUOROMETHYL)-",000455-18-5,67995,4-(trifluoromethyl)benzonitrile,C1=CC(=CC=C1C#N)C(F)(F)F,"InChI=1S/C8H4F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H",DRNJIKRLQJRKMM-UHFFFAOYSA-N,C8H4F3N,171.12,171.0295836,2.9,23.8,192,0,0,4,0,12,,,0,1,1,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,0
"ACETAMIDE, N-ETHYL-N-PHENYL-",000529-65-7,10727,N-ethyl-N-phenylacetamide,CCN(C1=CC=CC=C1)C(=O)C,"InChI=1S/C10H13NO/c1-3-11(9(2)12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3",FSSVIYSWRLKICW-UHFFFAOYSA-N,C10H13NO,163.22,163.099714,1.6,20.3,150,0,0,1,2,12,,,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0
"HYDRAZINE, (4-NITROPHENYL)-, MONOHYDROCHLORIDE",000636-99-7,5463401,(4-nitrophenyl)hydrazine;hydrochloride,C1=CC(=CC=C1NN)[N+](=O)[O-].Cl,"InChI=1S/C6H7N3O2.ClH/c7-8-5-1-3-6(4-2-5)9(10)11;/h1-4,8H,7H2;1H",ZWWXDCOPVYATOQ-UHFFFAOYSA-N,C6H8ClN3O2,189.6,189.0305042,,83.9,137,0,3,4,1,12,,,0,1,1,1,0,0,0,1,0,1,0,0,0,0,0,0,1,1,0,1
"BENZOYL AZIDE, 4-NITRO-",002733-41-7,102323,4-nitrobenzoyl azide,C1=CC(=CC=C1C(=O)N=[N+]=[N-])[N+](=O)[O-],InChI=1S/C7H4N4O3/c8-10-9-7(12)5-1-3-6(4-2-5)11(13)14/h1-4H,HGDXYCWNFLHQFC-UHFFFAOYSA-N,C7H4N4O3,192.13,192.02834,2.6,77.3,284,0,0,4,1,14,,,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"BENZENEDIAZONIUM, 3-CHLORO-4-(DIMETHYLAMINO)-, HEXAFLUOROPHOSPHATE(1-)",068400-43-1,110181,3-chloro-4-(dimethylamino)benzenediazonium hexafluorophosphate,CN(C)C1=C(C=C(C=C1)[N+]#N)Cl.F[P-](F)(F)(F)(F)F,"InChI=1S/C8H9ClN3.F6P/c1-12(2)8-4-3-6(11-10)5-7(8)9;1-7(2,3,4,5)6/h3-5H,1-2H3;/q+1;-1",HJLAYYLOWPGISJ-UHFFFAOYSA-N,C8H9ClF6N3P,327.59,327.012681,,31.4,258,0,0,9,1,19,,,0,1,1,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
CROTONALDEHYDE-DNPH,001527-96-4,6818411,"N-(but-2-enylideneamino)-2,4-dinitroaniline",CC=CC=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C10H10N4O4/c1-2-3-6-11-12-9-5-4-8(13(15)16)7-10(9)14(17)18/h2-7,12H,1H3",GFUVNGJSSAEZHW-UHFFFAOYSA-N,C10H10N4O4,250.21,250.0702048,1.6,116,358,0,1,6,3,18,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,1,0,0
HEXALDEHYDE-DNPH,001527-97-5,346899,"N-(hexylideneamino)-2,4-dinitroaniline",CCCCCC=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C12H16N4O4/c1-2-3-4-5-8-13-14-11-7-6-10(15(17)18)9-12(11)16(19)20/h6-9,14H,2-5H2,1H3",SJUYYAXVFFVQNX-UHFFFAOYSA-N,C12H16N4O4,280.28,280.117155,2.7,116,350,0,1,6,6,20,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"ISOVALERALDEHYDE-2,4-DINITROPHENYLHYDRAZONE",002256-01-1,345826,"N-(3-methylbutylideneamino)-2,4-dinitroaniline",CC(C)CC=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C11H14N4O4/c1-8(2)5-6-12-13-10-4-3-9(14(16)17)7-11(10)15(18)19/h3-4,6-8,13H,5H2,1-2H3",MCWYOPWJODIZJK-UHFFFAOYSA-N,C11H14N4O4,266.25,266.1015049,2.1,116,348,0,1,6,4,19,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,1,0,1
O-PHTHALDIALDEHYDE,000643-79-8,4807,phthalaldehyde,C1=CC=C(C(=C1)C=O)C=O,InChI=1S/C8H6O2/c9-5-7-3-1-2-4-8(7)6-10/h1-6H,ZWLUXSQADUDCSB-UHFFFAOYSA-N,C8H6O2,134.13,134.0367794,1.2,34.1,115,0,0,2,2,10,132 °C (270 °F) - closed cup,BP: 83 °C at 0.8 mm Hg,1,0,0,1,0,0,1,1,0,1,0,0,0,0,0,0,1,1,1,1
PENTACHLOROBENZENE,000608-93-5,11855,"1,2,3,4,5-pentachlorobenzene",C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,CEOCDNVZRAIOQZ-UHFFFAOYSA-N,C6HCl5,250.3,249.849138,5.2,0,125,0,0,0,0,11,,"531 °F at 760 mmHg (NTP, 1992)",1,0,0,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0
"PHENOL, 4-NITRO-, SODIUM SALT",000824-78-2,13214,sodium 4-nitrophenolate,C1=CC(=CC=C1[N+](=O)[O-])[O-].[Na+],"InChI=1S/C6H5NO3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H;/q;+1/p-1",CURNJKLCYZZBNJ-UHFFFAOYSA-M,C6H4NNaO3,161.09,161.0088873,,68.9,123,0,0,3,0,11,,,0,1,1,1,0,0,1,1,0,1,0,0,1,0,0,1,1,0,1,1
4-AZIDOBENZOIC ACID,006427-66-3,3034184,4-azidobenzoic acid,C1=CC(=CC=C1C(=O)O)N=[N+]=[N-],"InChI=1S/C7H5N3O2/c8-10-9-6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)",PQXPAFTXDVNANI-UHFFFAOYSA-N,C7H5N3O2,163.13,163.0381764,2.5,51.7,215,0,1,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,1,1,0,1,1
4-METHYLBENZENESULFONYL AZIDE,000941-55-9,13661,N-diazo-4-methylbenzenesulfonamide,CC1=CC=C(C=C1)S(=O)(=O)N=[N+]=[N-],"InChI=1S/C7H7N3O2S/c1-6-2-4-7(5-3-6)13(11,12)10-9-8/h2-5H,1H3",NDLIRBZKZSDGSO-UHFFFAOYSA-N,C7H7N3O2S,197.22,197.0258977,2.8,56.9,305,0,0,4,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0
"PEROXIDE, [1,4-PHENYLENEBIS(1-METHYLETHYLIDENE)]BIS[(1,1-DIMETHYLETHYL)",002781-00-2,17721,"1,4-bis(2-tert-butylperoxypropan-2-yl)benzene",CC(C)(C)OOC(C)(C)C1=CC=C(C=C1)C(C)(C)OOC(C)(C)C,"InChI=1S/C20H34O4/c1-17(2,3)21-23-19(7,8)15-11-13-16(14-12-15)20(9,10)24-22-18(4,5)6/h11-14H,1-10H3",GWQOYRSARAWVTC-UHFFFAOYSA-N,C20H34O4,338.5,338.2457096,4.5,36.9,341,0,0,4,8,24,,,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0,0
CUMENE HYDROPEROXIDE,000080-15-9,6629,2-hydroperoxypropan-2-ylbenzene,CC(C)(C1=CC=CC=C1)OO,"InChI=1S/C9H12O2/c1-9(2,11-10)8-6-4-3-5-7-8/h3-7,10H,1-2H3",YQHLDYVWEZKEOX-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,1.7,29.5,115,0,1,2,2,11,"135 °F (NTP, 1992)","Decomposes at 261 °F (NTP, 1992)",0,1,1,1,0,0,1,0,0,0,0,0,1,0,0,1,1,0,1,0
TERT-BUTYL PEROXYBENZOATE,000614-45-9,11966,tert-butyl benzenecarboperoxoate,CC(C)(C)OOC(=O)C1=CC=CC=C1,"InChI=1S/C11H14O3/c1-11(2,3)14-13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3",GJBRNHKUVLOCEB-UHFFFAOYSA-N,C11H14O3,194.23,194.0942943,2.8,35.5,187,0,0,3,4,14,"200 °F (NTP, 1992)","234 °F at 760 mmHg (NTP, 1992)",1,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,1,1,0,0
DIAZALD,000080-11-5,6628,"N,4-dimethyl-N-nitrosobenzenesulfonamide",CC1=CC=C(C=C1)S(=O)(=O)N(C)N=O,"InChI=1S/C8H10N2O3S/c1-7-3-5-8(6-4-7)14(12,13)10(2)9-11/h3-6H,1-2H3",FFKZOUIEAHOBHW-UHFFFAOYSA-N,C8H10N2O3S,214.24,214.0412134,0.6,75.2,288,0,0,5,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,1,1,1,0,1
DI-TERT-BUTYLPHENYLPHOSPHINE,032673-25-9,316378,ditert-butyl(phenyl)phosphane,CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C,"InChI=1S/C14H23P/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3",XOJNEFQLMRCOMS-UHFFFAOYSA-N,C14H23P,222.31,222.1537377,3.5,0,174,0,0,0,3,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
PHENYLPHOSPHINE,000638-21-1,12519,phenylphosphane,C1=CC=C(C=C1)P,"InChI=1S/C6H7P/c7-6-4-2-1-3-5-6/h1-5H,7H2",RPGWZZNNEUHDAQ-UHFFFAOYSA-N,C6H7P,110.09,110.0285372,1.8,0,46,0,0,0,0,7,,"320 to 322 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4-BENZENETRICARBONYL TRICHLORIDE",003867-55-8,77472,"benzene-1,2,4-tricarbonyl chloride",C1=CC(=C(C=C1C(=O)Cl)C(=O)Cl)C(=O)Cl,InChI=1S/C9H3Cl3O3/c10-7(13)4-1-2-5(8(11)14)6(3-4)9(12)15/h1-3H,CJPIDIRJSIUWRJ-UHFFFAOYSA-N,C9H3Cl3O3,265.5,263.914777,3.5,51.2,303,0,0,3,3,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONAMIDE, N,N-DICHLORO-",000473-29-0,68055,"N,N-dichlorobenzenesulfonamide",C1=CC=C(C=C1)S(=O)(=O)N(Cl)Cl,"InChI=1S/C6H5Cl2NO2S/c7-9(8)12(10,11)6-4-2-1-3-5-6/h1-5H",PJBJJXCZRAHMCK-UHFFFAOYSA-N,C6H5Cl2NO2S,226.08,224.941805,2.1,45.8,228,0,0,3,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-NITROPHENYL ACETATE,000830-03-5,13243,(4-nitrophenyl) acetate,CC(=O)OC1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C8H7NO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3",QAUUDNIGJSLPSX-UHFFFAOYSA-N,C8H7NO4,181.15,181.0375077,1.5,72.1,203,0,0,4,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"2,2,5-TRIMETHYL-4-PHENYL-3-AZAHEXANE-3-NITROXIDE",061015-94-9,10900145,,CC(C)C(C1=CC=CC=C1)N(C(C)(C)C)[O],"InChI=1S/C14H22NO/c1-11(2)13(15(16)14(3,4)5)12-9-7-6-8-10-12/h6-11,13H,1-5H3",VGHCMXLEZFMZOZ-UHFFFAOYSA-N,C14H22NO,220.33,220.1701393,3.6,4.2,201,0,0,1,4,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PARA-TOLUOYL CHLORIDE,000874-60-2,13405,4-methylbenzoyl chloride,CC1=CC=C(C=C1)C(=O)Cl,"InChI=1S/C8H7ClO/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3",NQUVCRCCRXRJCK-UHFFFAOYSA-N,C8H7ClO,154.59,154.0185425,3.3,17.1,125,0,0,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
ORTHO-TOLUOYL CHLORIDE,000933-88-0,70276,2-methylbenzoyl chloride,CC1=CC=CC=C1C(=O)Cl,"InChI=1S/C8H7ClO/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3",GPZXFICWCMCQPF-UHFFFAOYSA-N,C8H7ClO,154.59,154.0185425,3.4,17.1,133,0,0,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1
"1,3,5-BENZENETRICARBONYL TRICHLORIDE",004422-95-1,78138,"benzene-1,3,5-tricarbonyl chloride",C1=C(C=C(C=C1C(=O)Cl)C(=O)Cl)C(=O)Cl,InChI=1S/C9H3Cl3O3/c10-7(13)4-1-5(8(11)14)3-6(2-4)9(12)15/h1-3H,UWCPYKQBIPYOLX-UHFFFAOYSA-N,C9H3Cl3O3,265.5,263.914777,3.5,51.2,243,0,0,3,3,15,,,0,0,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
THIOBENZOIC ACID,000098-91-9,7414,benzenecarbothioic S-acid,C1=CC=C(C=C1)C(=O)S,"InChI=1S/C7H6OS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",UIJGNTRUPZPVNG-UHFFFAOYSA-N,C7H6OS,138.19,138.013936,2.4,18.1,105,0,1,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1
DICHLOROPHENYL PHOSPHINE SULFIDE,003497-00-5,19016,dichloro-phenyl-sulfanylidene-lambda5-phosphane,C1=CC=C(C=C1)P(=S)(Cl)Cl,"InChI=1S/C6H5Cl2PS/c7-9(8,10)6-4-2-1-3-5-6/h1-5H",SXIWNIQDOJKDGB-UHFFFAOYSA-N,C6H5Cl2PS,211.05,209.9226637,4.2,32.1,148,0,0,1,1,10,,,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0
PHENYLPHOSPHONIC DICHLORIDE,000824-72-6,69990,dichlorophosphorylbenzene,C1=CC=C(C=C1)P(=O)(Cl)Cl,"InChI=1S/C6H5Cl2OP/c7-10(8,9)6-4-2-1-3-5-6/h1-5H",IBDMRHDXAQZJAP-UHFFFAOYSA-N,C6H5Cl2OP,194.98,193.9455072,3.1,17.1,148,0,0,1,1,10,,,0,0,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1
R(-)-DEPRENYL HCL,014611-52-0,26758,(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine;hydrochloride,C[C@H](CC1=CC=CC=C1)N(C)CC#C.Cl,"InChI=1S/C13H17N.ClH/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13;/h1,5-9,12H,10-11H2,2-3H3;1H/t12-;/m1./s1",IYETZZCWLLUHIJ-UTONKHPSSA-N,C13H18ClN,223.74,223.1127773,,3.2,195,0,1,1,4,15,,,0,0,1,1,0,0,1,1,0,0,0,1,0,1,0,0,1,0,1,1
(3-PHENYLPROPYL)DIMETHYLCHLOROSILANE,017146-09-7,86971,chloro-dimethyl-(3-phenylpropyl)silane,C[Si](C)(CCCC1=CC=CC=C1)Cl,"InChI=1S/C11H17ClSi/c1-13(2,12)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3",ASSMBLOISZSMMP-UHFFFAOYSA-N,C11H17ClSi,212.79,212.0788048,,0,139,0,0,0,4,13,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
HYDROXYBENZENESULFONIC ACID,001333-39-7,15619088,benzenesulfonic acid;hydrate,C1=CC=C(C=C1)S(=O)(=O)O.O,"InChI=1S/C6H6O3S.H2O/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);1H2",MVIOINXPSFUJEN-UHFFFAOYSA-N,C6H8O4S,176.19,176.0143299,,63.8,184,0,2,4,1,11,,,0,1,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
Pentafluorophenylpropyltrichlorosilane,078900-02-4,2760298,"trichloro-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane",C(CC1=C(C(=C(C(=C1F)F)F)F)F)C[Si](Cl)(Cl)Cl,"InChI=1S/C9H6Cl3F5Si/c10-18(11,12)3-1-2-4-5(13)7(15)9(17)8(16)6(4)14/h1-3H2",PGOAAUBOHVGLCX-UHFFFAOYSA-N,C9H6Cl3F5Si,343.6,341.922451,,0,261,0,0,5,3,18,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
6-PHENYLHEXYLTRICHLOROSILANE,018035-33-1,53427322,trichloro(6-phenylhexyl)silane,C1=CC=C(C=C1)CCCCCC[Si](Cl)(Cl)Cl,"InChI=1S/C12H17Cl3Si/c13-16(14,15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2",ODIAUNNUTSSHMI-UHFFFAOYSA-N,C12H17Cl3Si,295.7,294.01651,,0,174,0,0,0,6,16,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, 2,5-DICHLORO-",000088-42-6,66616,"2,5-dichlorobenzenesulfonic acid",C1=CC(=C(C=C1Cl)S(=O)(=O)O)Cl,"InChI=1S/C6H4Cl2O3S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,(H,9,10,11)",LFXZSGVZSSMCMB-UHFFFAOYSA-N,C6H4Cl2O3S,227.06,225.9258205,1.8,62.8,246,0,1,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"METHANESULFONAMIDE, N-[2-[(4-AMINO-3-METHYLPHENYL)ETHYLAMINO]ETHYL]-",000092-09-1,66693,N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide,CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N)C,"InChI=1S/C12H21N3O2S/c1-4-15(8-7-14-18(3,16)17)11-5-6-12(13)10(2)9-11/h5-6,9,14H,4,7-8,13H2,1-3H3",NPKFETRYYSUTEC-UHFFFAOYSA-N,C12H21N3O2S,271.38,271.1354481,1.2,83.8,340,0,2,5,6,18,,,1,0,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,1,1,0
"BENZENESULFINIC ACID, 4-CHLORO-",000100-03-8,66847,4-chlorobenzenesulfinic acid,C1=CC(=CC=C1S(=O)O)Cl,"InChI=1S/C6H5ClO2S/c7-5-1-3-6(4-2-5)10(8)9/h1-4H,(H,8,9)",AOQYAMDZQAEDLO-UHFFFAOYSA-N,C6H5ClO2S,176.62,175.9698783,1.8,56.5,132,0,1,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"BENZENE, 1-(CHLOROMETHYL)-4-ETHYL-",001467-05-6,73843,1-(chloromethyl)-4-ethylbenzene,CCC1=CC=C(C=C1)CCl,"InChI=1S/C9H11Cl/c1-2-8-3-5-9(7-10)6-4-8/h3-6H,2,7H2,1H3",DUBCVXSYZVTCOC-UHFFFAOYSA-N,C9H11Cl,154.63,154.054928,3.1,0,82,0,0,0,2,10,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1
"BENZOYL CHLORIDE, 2-CHLORO-4-NITRO-",007073-36-1,81522,2-chloro-4-nitrobenzoyl chloride,C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)Cl,InChI=1S/C7H3Cl2NO3/c8-6-3-4(10(12)13)1-2-5(6)7(9)11/h1-3H,KTHNITVDTYAHFF-UHFFFAOYSA-N,C7H3Cl2NO3,220.01,218.9489983,3,62.9,228,0,0,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"DICHLORO(1,1-DIMETHYLETHYL)PHENYLSILANE",017887-41-1,87353,tert-butyl-dichloro-phenylsilane,CC(C)(C)[Si](C1=CC=CC=C1)(Cl)Cl,"InChI=1S/C10H14Cl2Si/c1-10(2,3)13(11,12)9-7-5-4-6-8-9/h4-8H,1-3H3",OCXPCSGIIJESOA-UHFFFAOYSA-N,C10H14Cl2Si,233.21,232.0241824,,0,166,0,0,0,2,13,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"BENZOYL CHLORIDE, 2-CHLORO-5-NITRO-",025784-91-2,117637,2-chloro-5-nitrobenzoyl chloride,C1=CC(=C(C=C1[N+](=O)[O-])C(=O)Cl)Cl,InChI=1S/C7H3Cl2NO3/c8-6-2-1-4(10(12)13)3-5(6)7(9)11/h1-3H,OGLKKYALUKXVPQ-UHFFFAOYSA-N,C7H3Cl2NO3,220.01,218.9489983,3,62.9,228,0,0,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, DIMETHYL-",025321-41-9,172623,"2,3-dimethylbenzenesulfonic acid",CC1=C(C(=CC=C1)S(=O)(=O)O)C,"InChI=1S/C8H10O3S/c1-6-4-3-5-8(7(6)2)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)",ZZXDRXVIRVJQBT-UHFFFAOYSA-N,C8H10O3S,186.23,186.0350654,1.4,62.8,240,0,1,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
PHENYL CHLOROFORMATE,001885-14-9,15891,phenyl carbonochloridate,C1=CC=C(C=C1)OC(=O)Cl,InChI=1S/C7H5ClO2/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,AHWALFGBDFAJAI-UHFFFAOYSA-N,C7H5ClO2,156.56,155.9978071,2.6,26.3,119,0,0,2,2,10,69 °C c.c.,188-189 °C,0,0,1,1,0,0,1,1,0,0,0,1,0,0,0,0,1,1,0,1
BENZENESULFONIC ACID,000098-11-3,7371,benzenesulfonic acid,C1=CC=C(C=C1)S(=O)(=O)O,"InChI=1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)",SRSXLGNVWSONIS-UHFFFAOYSA-N,C6H6O3S,158.18,158.0037652,0,62.8,184,0,1,3,1,10,113 °C,190 °C,0,0,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
DICHLOROPHENYLPHOSPHINE,000644-97-3,12573,dichloro(phenyl)phosphane,C1=CC=C(C=C1)P(Cl)Cl,InChI=1S/C6H5Cl2P/c7-9(8)6-4-2-1-3-5-6/h1-5H,IMDXZWRLUZPMDH-UHFFFAOYSA-N,C6H5Cl2P,178.98,177.9505925,3.1,0,79,0,0,0,0,9,"215 °F (USCG, 1999)","430 °F at 760 mmHg (USCG, 1999)",0,0,0,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1
1-PHENYL-2-THIOUREA,000103-85-5,676454,phenylthiourea,C1=CC=C(C=C1)NC(=S)N,"InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)",FULZLIGZKMKICU-UHFFFAOYSA-N,C7H8N2S,152.22,152.0408194,0.7,70.1,119,0,2,1,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
P-NITROBENZONITRILE,000619-72-7,12090,4-nitrobenzonitrile,C1=CC(=CC=C1C#N)[N+](=O)[O-],InChI=1S/C7H4N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,NKJIFDNZPGLLSH-UHFFFAOYSA-N,C7H4N2O2,148.12,148.0272774,1.2,69.6,192,0,0,3,0,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MELPHALAN,000148-82-3,460612,(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid,C1=CC(=CC=C1C[C@@H](C(=O)O)N)N(CCCl)CCCl,"InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1",SGDBTWWWUNNDEQ-LBPRGKRZSA-N,C13H18Cl2N2O2,305.2,304.0745332,-0.5,66.6,265,0,2,4,8,19,,,0,1,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0
PARATHION,000056-38-2,991,diethoxy-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane,CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3",LCCNCVORNKJIRZ-UHFFFAOYSA-N,C10H14NO5PS,291.26,291.0330307,3.8,106,304,0,0,6,6,18,"248 to 320 °F (EPA, 1998)","707 °F at 760 mmHg (EPA, 1998)",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
4-AMINOPHENYLMERCURIC ACETATE,006283-24-5,16682983,acetyloxy-(4-aminophenyl)mercury,CC(=O)O[Hg]C1=CC=C(C=C1)N,"InChI=1S/C6H6N.C2H4O2.Hg/c7-6-4-2-1-3-5-6;1-2(3)4;/h2-5H,7H2;1H3,(H,3,4);/q;;+1/p-1",RXSUFCOOZSGWSW-UHFFFAOYSA-M,C8H9HgNO2,351.75,353.033972,,52.3,155,0,1,3,3,12,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,4-DIBROMOPHENOL",000615-58-7,12005,"2,4-dibromophenol",C1=CC(=C(C=C1Br)Br)O,"InChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H",FAXWFCTVSHEODL-UHFFFAOYSA-N,C6H4Br2O,251.9,251.86084,3.2,20.2,97,0,1,1,0,9,235 °F 113 °C Method: closed cup,238.5 °C,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
4-CHLOROBENZYL CYANIDE,000140-53-4,241582,2-(4-chlorophenyl)acetonitrile,C1=CC(=CC=C1CC#N)Cl,"InChI=1S/C8H6ClN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2",IVYMIRMKXZAHRV-UHFFFAOYSA-N,C8H6ClN,151.59,151.0188769,2.5,23.8,139,0,0,1,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MERSALYL ACID,000486-67-9,12358988,[3-[[2-(carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury(1+) hydroxide,COC(CNC(=O)C1=CC=CC=C1OCC(=O)O)C[Hg+].[OH-],"InChI=1S/C13H16NO5.Hg.H2O/c1-9(18-2)7-14-13(17)10-5-3-4-6-11(10)19-8-12(15)16;;/h3-6,9H,1,7-8H2,2H3,(H,14,17)(H,15,16);;1H2/q;+1;/p-1",HQRSUIDICNOLPX-UHFFFAOYSA-M,C13H17HgNO6,483.87,485.076231,,85.9,326,0,3,6,8,21,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"1,5-DIFLUORO-2,4-DINITROBENZENE",000327-92-4,67598,"1,5-difluoro-2,4-dinitrobenzene",C1=C(C(=CC(=C1[N+](=O)[O-])F)F)[N+](=O)[O-],InChI=1S/C6H2F2N2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H,VILFTWLXLYIEMV-UHFFFAOYSA-N,C6H2F2N2O4,204.09,203.9982629,1.8,91.6,227,0,0,6,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,1,0
"PHOSPHORIC ACID, DIMETHYL-4-NITROPHENYL ESTER",000950-35-6,13708,dimethyl (4-nitrophenyl) phosphate,COP(=O)(OC)OC1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C8H10NO6P/c1-13-16(12,14-2)15-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3",BAFQDKPJKOLXFZ-UHFFFAOYSA-N,C8H10NO6P,247.14,247.024574,1.3,90.6,275,0,0,6,4,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
5-CHLORO-2-NITROANILINE,001635-61-6,74218,5-chloro-2-nitroaniline,C1=CC(=C(C=C1Cl)N)[N+](=O)[O-],"InChI=1S/C6H5ClN2O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,8H2",ZCWXYZBQDNFULS-UHFFFAOYSA-N,C6H5ClN2O2,172.57,172.0039551,2.7,71.8,159,0,1,3,0,11,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,4-DICHLORO-6-NITROANILINE",002683-43-4,75893,"2,4-dichloro-6-nitroaniline",C1=C(C=C(C(=C1[N+](=O)[O-])N)Cl)Cl,"InChI=1S/C6H4Cl2N2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2",IZEZAMILKKYOPW-UHFFFAOYSA-N,C6H4Cl2N2O2,207.01,205.9649828,2.9,71.8,185,0,1,3,0,12,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Benzyl alcohol, 3,4-dihydroxy-alpha-((methylamino)methyl)-, (-)-, tartrate (1:",000051-42-3,5815,"(2R,3R)-2,3-dihydroxybutanedioic acid;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol",CNC[C@@H](C1=CC(=C(C=C1)O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C9H13NO3.C4H6O6/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;5-1(3(7)8)2(6)4(9)10/h2-4,9-13H,5H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t9-;1-,2-/m01/s1",YLXIPWWIOISBDD-NDAAPVSOSA-N,C13H19NO9,333.29,333.1059812,,188,288,0,8,10,6,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenaminium, 3-(((dimethylamino)carbonyl)oxy)-N,N,N-trimethyl-, methyl sulfa",000051-60-5,5824,[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium;methyl sulfate,CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C.COS(=O)(=O)[O-],"InChI=1S/C12H19N2O2.CH4O4S/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;1-5-6(2,3)4/h6-9H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1",OSZNNLWOYWAHSS-UHFFFAOYSA-M,C13H22N2O6S,334.39,334.1198576,,104,337,0,0,6,3,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
FAMPHUR,000052-85-7,5859,"4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide",CN(C)S(=O)(=O)C1=CC=C(C=C1)OP(=S)(OC)OC,"InChI=1S/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-9(6-8-10)16-17(18,14-3)15-4/h5-8H,1-4H3",JISACBWYRJHSMG-UHFFFAOYSA-N,C10H16NO5PS2,325.3,325.020752,2.2,106,418,0,0,7,6,19,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PHENYL(PROPANOATO-O)MERCURY,000103-27-5,16682932,phenyl(propanoyloxy)mercury,CCC(=O)O[Hg]C1=CC=CC=C1,"InChI=1S/C6H5.C3H6O2.Hg/c1-2-4-6-5-3-1;1-2-3(4)5;/h1-5H;2H2,1H3,(H,4,5);/q;;+1/p-1",OOCYPIXCHKROMD-UHFFFAOYSA-M,C9H10HgO2,350.77,352.038723,,26.3,141,0,0,2,4,12,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"BENZENEACETONITRILE, .ALPHA.-OXO-",000613-90-1,11953,benzoyl cyanide,C1=CC=C(C=C1)C(=O)C#N,InChI=1S/C8H5NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,GJQBHOAJJGIPRH-UHFFFAOYSA-N,C8H5NO,131.13,131.0371138,1.9,40.9,171,0,0,2,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, N-ETHYL-4-METHYL-",000622-57-1,61164,N-ethyl-4-methylaniline,CCNC1=CC=C(C=C1)C,"InChI=1S/C9H13N/c1-3-10-9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3",AASABFUMCBTXRL-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,2.5,12,82,0,1,1,2,10,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
DINOTERB,001420-07-1,14994,"2-tert-butyl-4,6-dinitrophenol",CC(C)(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O,"InChI=1S/C10H12N2O5/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17/h4-5,13H,1-3H3",IIPZYDQGBIWLBU-UHFFFAOYSA-N,C10H12N2O5,240.21,240.0746215,3.4,112,314,0,1,5,1,17,,Decomposes above 220 °C,1,1,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Phenethylamine, alpha-methyl-, hydrochloride, (+)-",001462-73-3,134480,(2S)-1-phenylpropan-2-amine;hydrochloride,C[C@@H](CC1=CC=CC=C1)N.Cl,"InChI=1S/C9H13N.ClH/c1-8(10)7-9-5-3-2-4-6-9;/h2-6,8H,7,10H2,1H3;1H/t8-;/m0./s1",SEVKYLYIYIKRSW-QRPNPIFTSA-N,C9H14ClN,171.67,171.0814771,,26,84,0,2,1,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"o-Cresol, 4,6-dinitro-, ammonium salt",002980-64-5,18117,"azanium 2-methyl-4,6-dinitrophenolate",CC1=CC(=CC(=C1[O-])[N+](=O)[O-])[N+](=O)[O-].[NH4+],"InChI=1S/C7H6N2O5.H3N/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14;/h2-3,10H,1H3;1H3",QOHVLZBCVSJGFV-UHFFFAOYSA-N,C7H9N3O5,215.16,215.0542204,,116,245,0,1,5,0,15,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"ANILINE AND CHLORO, BROMO-, AND NITRO-ANILINES",003531-19-9,19052,"2-chloro-4,6-dinitroaniline",C1=C(C=C(C(=C1[N+](=O)[O-])N)Cl)[N+](=O)[O-],"InChI=1S/C6H4ClN3O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H,8H2",LHRIICYSGQGXSX-UHFFFAOYSA-N,C6H4ClN3O4,217.57,216.9890333,2.1,118,250,0,1,5,0,14,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"BENZENAMINE, 4-CHLORO-2,6-DINITRO-",005388-62-5,21484,"4-chloro-2,6-dinitroaniline",C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])Cl,"InChI=1S/C6H4ClN3O4/c7-3-1-4(9(11)12)6(8)5(2-3)10(13)14/h1-2H,8H2",CLMQUEQFVUMDPC-UHFFFAOYSA-N,C6H4ClN3O4,217.57,216.9890333,2.4,118,226,0,1,5,0,14,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"BENZENAMINE, 2-CHLORO-5-NITRO-",006283-25-6,22691,2-chloro-5-nitroaniline,C1=CC(=C(C=C1[N+](=O)[O-])N)Cl,"InChI=1S/C6H5ClN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2",KWIXNFOTNVKIGM-UHFFFAOYSA-N,C6H5ClN2O2,172.57,172.0039551,2.1,71.8,159,0,1,3,0,11,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"BENZENAMINE, 2,5-DICHLORO-4-NITRO-",006627-34-5,23108,"2,5-dichloro-4-nitroaniline",C1=C(C(=CC(=C1Cl)[N+](=O)[O-])Cl)N,"InChI=1S/C6H4Cl2N2O2/c7-3-2-6(10(11)12)4(8)1-5(3)9/h1-2H,9H2",JBXZCPXEYAEMJS-UHFFFAOYSA-N,C6H4Cl2N2O2,207.01,205.9649828,2.2,71.8,185,0,1,3,0,12,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"ACETAMIDE, N-(3-CHLORO-4-METHYLPHENYL)-",007149-79-3,23537,N-(3-chloro-4-methylphenyl)acetamide,CC1=C(C=C(C=C1)NC(=O)C)Cl,"InChI=1S/C9H10ClNO/c1-6-3-4-8(5-9(6)10)11-7(2)12/h3-5H,1-2H3,(H,11,12)",IGLVCWPPISIXPR-UHFFFAOYSA-N,C9H10ClNO,183.63,183.0450916,2.7,29.1,172,0,1,1,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(2-ETHYLHEXANOATO-O)PHENYLMERCURY,013302-00-6,16684168,2-ethylhexanoyloxy(phenyl)mercury,CCCCC(CC)C(=O)O[Hg]C1=CC=CC=C1,"InChI=1S/C8H16O2.C6H5.Hg/c1-3-5-6-7(4-2)8(9)10;1-2-4-6-5-3-1;/h7H,3-6H2,1-2H3,(H,9,10);1-5H;/q;;+1/p-1",XVASSELVJHUACE-UHFFFAOYSA-M,C14H20HgO2,420.9,422.116973,,26.3,212,0,0,2,8,17,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
FORMETANATE HYDROCHLORIDE,023422-53-9,31899,[3-(dimethylaminomethylideneamino)phenyl] N-methylcarbamate;hydrochloride,CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl,"InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H",MYPKGPZHHQEODQ-UHFFFAOYSA-N,C11H16ClN3O2,257.72,257.0931045,,53.9,254,0,2,3,4,17,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
(NEODECANOATO-O)PHENYLMERCURY,026545-49-3,16684182,"7,7-dimethyloctanoyloxy(phenyl)mercury",CC(C)(C)CCCCCC(=O)O[Hg]C1=CC=CC=C1,"InChI=1S/C10H20O2.C6H5.Hg/c1-10(2,3)8-6-4-5-7-9(11)12;1-2-4-6-5-3-1;/h4-8H2,1-3H3,(H,11,12);1-5H;/q;;+1/p-1",VAQXYTXEFDFLIS-UHFFFAOYSA-M,C16H24HgO2,448.95,450.148274,,26.3,252,0,0,2,9,19,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
DIISOPROPYL-P-TOLUIDINE,038668-48-3,161976,1-[N-(2-hydroxypropyl)-4-methylanilino]propan-2-ol,CC1=CC=C(C=C1)N(CC(C)O)CC(C)O,"InChI=1S/C13H21NO2/c1-10-4-6-13(7-5-10)14(8-11(2)15)9-12(3)16/h4-7,11-12,15-16H,8-9H2,1-3H3",JFZVSHAMRZPOPA-UHFFFAOYSA-N,C13H21NO2,223.31,223.1572289,1.9,43.7,180,0,2,3,5,16,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
N-((4-HYDROXY-3-METHOXYPHENYL)METHYL)-7-METHYLOCTANAMIDE,028789-35-7,168836,N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloctanamide,CC(C)CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC,"InChI=1S/C17H27NO3/c1-13(2)7-5-4-6-8-17(20)18-12-14-9-10-15(19)16(11-14)21-3/h9-11,13,19H,4-8,12H2,1-3H3,(H,18,20)",VQEONGKQWIFHMN-UHFFFAOYSA-N,C17H27NO3,293.4,293.1990937,3.9,58.6,294,0,2,3,9,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DICHLORO-4-NITROANILINE",000099-30-9,7430,"2,6-dichloro-4-nitroaniline",C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-],"InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2",BIXZHMJUSMUDOQ-UHFFFAOYSA-N,C6H4Cl2N2O2,207.01,205.9649828,2.9,71.8,173,0,1,3,0,12,,at 0.27kPa: 130 °C,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"BENZENE-1,2-DITHIOL",017534-15-5,69370,"benzene-1,2-dithiol",C1=CC=C(C(=C1)S)S,"InChI=1S/C6H6S2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H",JRNVQLOKVMWBFR-UHFFFAOYSA-N,C6H6S2,142.2,141.9910925,2.2,2,62,0,2,2,0,8,,,1,1,1,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
THIMEROSAL,000054-64-8,16684434,sodium (2-carboxylatophenyl)sulfanyl-ethylmercury,CC[Hg]SC1=CC=CC=C1C(=O)[O-].[Na+],"InChI=1S/C7H6O2S.C2H5.Hg.Na/c8-7(9)5-3-1-2-4-6(5)10;1-2;;/h1-4,10H,(H,8,9);1H2,2H3;;/q;;2*+1/p-2",RTKIYNMVFMVABJ-UHFFFAOYSA-L,C9H9HgNaO2S,404.82,405.992739,,65.4,180,0,0,3,3,14,,,1,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"P-METHOXY-N,ALPHA-DIMETHYLPHENETHYLAMINE HYDROCHLORIDE",003398-68-3,197788,1-(4-methoxyphenyl)-N-methylpropan-2-amine;hydrochloride,CC(CC1=CC=C(C=C1)OC)NC.Cl,"InChI=1S/C11H17NO.ClH/c1-9(12-2)8-10-4-6-11(13-3)7-5-10;/h4-7,9,12H,8H2,1-3H3;1H",IQZVXWOBOYTPER-UHFFFAOYSA-N,C11H18ClNO,215.72,215.1076919,,21.3,130,0,2,2,4,14,,,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,1
FENSULFOTHION,000115-90-2,8292,diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane,CCOP(=S)(OCC)OC1=CC=C(C=C1)S(=O)C,"InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3",XDNBJTQLKCIJBV-UHFFFAOYSA-N,C11H17O4PS2,308.4,308.0305884,2.2,96.1,306,0,0,6,7,18,,"280 to 286 °F at 0.01 mmHg (EPA, 1998)",1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
FENAMIPHOS,022224-92-6,31070,N-[ethoxy-(3-methyl-4-methylsulfanylphenoxy)phosphoryl]propan-2-amine,CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C,"InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)",ZCJPOPBZHLUFHF-UHFFFAOYSA-N,C13H22NO3PS,303.36,303.1058017,3.2,72.9,314,0,1,5,7,19,,"Decomposes (NTP, 1992)",1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
O-DINITROBENZENE,000528-29-0,10707,"1,2-dinitrobenzene",C1=CC=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,IZUKQUVSCNEFMJ-UHFFFAOYSA-N,C6H4N2O4,168.11,168.0171066,1.7,91.6,173,0,0,4,0,12,"302 °F (USCG, 1999)","606 °F at 760 mmHg (USCG, 1999)",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
P-ANISIDINE,000104-94-9,7732,4-methoxyaniline,COC1=CC=C(C=C1)N,"InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3",BHAAPTBBJKJZER-UHFFFAOYSA-N,C7H9NO,123.15,123.0684139,0.9,35.3,77,0,1,2,1,9,"41 °F (NTP, 1992)","469 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
4-METHOXY-2-NITROANILINE,000096-96-8,66793,4-methoxy-2-nitroaniline,COC1=CC(=C(C=C1)N)[N+](=O)[O-],"InChI=1S/C7H8N2O3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3",QFMJFXFXQAFGBO-UHFFFAOYSA-N,C7H8N2O3,168.15,168.0534921,1.9,81.1,169,0,1,4,1,12,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
M-DINITROBENZENE,000099-65-0,7452,"1,3-dinitrobenzene",C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,WDCYWAQPCXBPJA-UHFFFAOYSA-N,C6H4N2O4,168.11,168.0171066,1.5,91.6,175,0,0,4,0,12,"302 °F (NIOSH, 2024)","556 °F at 756 mmHg (NTP, 1992)",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
ALPHA-CHLOROACETOPHENONE,000532-27-4,10757,2-chloro-1-phenylethanone,C1=CC=C(C=C1)C(=O)CCl,"InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2",IMACFCSSMIZSPP-UHFFFAOYSA-N,C8H7ClO,154.59,154.0185425,2.3,17.1,116,0,0,1,2,10,"244 °F (NTP, 1992)","441 to 442 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"2,4-DINITROANILINE",000097-02-9,7321,"2,4-dinitroaniline",C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N,"InChI=1S/C6H5N3O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,7H2",LXQOQPGNCGEELI-UHFFFAOYSA-N,C6H5N3O4,183.12,183.0280057,1,118,221,0,1,5,0,13,"435 °F (NTP, 1992)",56.7 °C,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
4-CHLORO-2-NITROANILINE,000089-63-4,6979,4-chloro-2-nitroaniline,C1=CC(=C(C=C1Cl)[N+](=O)[O-])N,"InChI=1S/C6H5ClN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2",PBGKNXWGYQPUJK-UHFFFAOYSA-N,C6H5ClN2O2,172.57,172.0039551,2.7,71.8,159,0,1,3,0,11,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
MEXACARBATE,000315-18-4,9414,"[4-(dimethylamino)-3,5-dimethylphenyl] N-methylcarbamate",CC1=CC(=CC(=C1N(C)C)C)OC(=O)NC,"InChI=1S/C12H18N2O2/c1-8-6-10(16-12(15)13-3)7-9(2)11(8)14(4)5/h6-7H,1-5H3,(H,13,15)",YNEVBPNZHBAYOA-UHFFFAOYSA-N,C12H18N2O2,222.28,222.1368278,2.5,41.6,231,0,1,3,3,16,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ALPHA-BROMOACETOPHENONE,000070-11-1,6259,2-bromo-1-phenylethanone,C1=CC=C(C=C1)C(=O)CBr,"InChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2",LIGACIXOYTUXAW-UHFFFAOYSA-N,C8H7BrO,199.04,197.96803,2.5,17.1,116,0,0,1,2,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
M-PHENYLENEDIAMINE DIHYDROCHLORIDE,000541-69-5,10941,"benzene-1,3-diamine;dihydrochloride",C1=CC(=CC(=C1)N)N.Cl.Cl,"InChI=1S/C6H8N2.2ClH/c7-5-2-1-3-6(8)4-5;;/h1-4H,7-8H2;2*1H",SVTOYMIYCMHPIV-UHFFFAOYSA-N,C6H10Cl2N2,181.06,180.0221037,,52,64,0,4,2,0,10,,,1,1,1,1,0,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0
BENZYL CYANIDE,000140-29-4,8794,2-phenylacetonitrile,C1=CC=C(C=C1)CC#N,"InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2",SUSQOBVLVYHIEX-UHFFFAOYSA-N,C8H7N,117.15,117.0578492,1.6,23.8,114,0,0,1,1,9,"215 °F (NTP, 1992)","451.4 °F at 760 mmHg (EPA, 1998)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-CHLORO-3-NITROBENZENE,000121-73-3,8489,1-chloro-3-nitrobenzene,C1=CC(=CC(=C1)Cl)[N+](=O)[O-],InChI=1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,KMAQZIILEGKYQZ-UHFFFAOYSA-N,C6H4ClNO2,157.55,156.9930561,2.5,45.8,134,0,0,2,0,10,"261 °F (NFPA, 2010)","455 to 457 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,1,0
"2,5-DI-TERT-BUTYLHYDROQUINONE",000088-58-4,2374,"2,5-ditert-butylbenzene-1,4-diol",CC(C)(C)C1=CC(=C(C=C1O)C(C)(C)C)O,"InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3",JZODKRWQWUWGCD-UHFFFAOYSA-N,C14H22O2,222.32,222.1619799,4.6,40.5,208,0,2,2,2,16,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,1
ARSANILIC ACID,000098-50-0,7389,(4-aminophenyl)arsonic acid,C1=CC(=CC=C1N)[As](=O)(O)O,"InChI=1S/C6H8AsNO3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H,8H2,(H2,9,10,11)",XKNKHVGWJDPIRJ-UHFFFAOYSA-N,C6H8AsNO3,217.05,216.972013,,83.6,171,0,3,4,1,11,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ETHYL P-TOLUENESULFONATE,000080-40-0,6638,ethyl 4-methylbenzenesulfonate,CCOS(=O)(=O)C1=CC=C(C=C1)C,"InChI=1S/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3",VRZVPALEJCLXPR-UHFFFAOYSA-N,C9H12O3S,200.26,200.0507154,1.8,51.8,232,0,0,3,3,13,316 °F,173 °C @ 15 MM HG,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIETHYL-P-PHENYLENEDIAMINE",000093-05-0,7120,"4-N,4-N-diethylbenzene-1,4-diamine",CCN(CC)C1=CC=C(C=C1)N,"InChI=1S/C10H16N2/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3",QNGVNLMMEQUVQK-UHFFFAOYSA-N,C10H16N2,164.25,164.1313485,2.2,29.3,113,0,1,2,3,12,"greater than 230 °F (NTP, 1992)","500 to 504 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
5-CHLOROSALICYCLIC ACID,000321-14-2,9447,5-chloro-2-hydroxybenzoic acid,C1=CC(=C(C=C1Cl)C(=O)O)O,"InChI=1S/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)",NKBASRXWGAGQDP-UHFFFAOYSA-N,C7H5ClO3,172.56,171.9927217,3.1,57.5,160,0,2,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BOC-ON,058632-95-4,5365066,tert-butyl [(Z)-[cyano(phenyl)methylidene]amino] carbonate,CC(C)(C)OC(=O)O/N=C(\C#N)/C1=CC=CC=C1,"InChI=1S/C13H14N2O3/c1-13(2,3)17-12(16)18-15-11(9-14)10-7-5-4-6-8-10/h4-8H,1-3H3/b15-11+",QQWYQAQQADNEIC-RVDMUPIBSA-N,C13H14N2O3,246.26,246.1004423,3.3,71.7,367,0,0,5,5,18,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIMETHYLPHENYLAMMONIUM CHLORIDE,000138-24-9,67309,trimethyl(phenyl)azanium chloride,C[N+](C)(C)C1=CC=CC=C1.[Cl-],"InChI=1S/C9H14N.ClH/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1",MQAYPFVXSPHGJM-UHFFFAOYSA-M,C9H14ClN,171.67,171.0814771,,0,95,0,0,1,1,11,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRANS-2-HYDROXYCINNAMIC ACID,000614-60-8,637540,(E)-3-(2-hydroxyphenyl)prop-2-enoic acid,C1=CC=C(C(=C1)/C=C/C(=O)O)O,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+",PMOWTIHVNWZYFI-AATRIKPKSA-N,C9H8O3,164.16,164.0473441,1.5,57.5,186,0,2,3,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-PHENYLENEDIAMINE DIHYDROCHLORIDE,000624-18-0,12205,"benzene-1,4-diamine;dihydrochloride",C1=CC(=CC=C1N)N.Cl.Cl,"InChI=1S/C6H8N2.2ClH/c7-5-1-2-6(8)4-3-5;;/h1-4H,7-8H2;2*1H",IYXMNTLBLQNMLM-UHFFFAOYSA-N,C6H10Cl2N2,181.06,180.0221037,,52,54,0,4,2,0,10,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
2-CHLORO-4'-FLUOROACETOPHENONE,000456-04-2,120248,2-chloro-1-(4-fluorophenyl)ethanone,C1=CC(=CC=C1C(=O)CCl)F,"InChI=1S/C8H6ClFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2",UJZWJOQRSMOFMA-UHFFFAOYSA-N,C8H6ClFO,172.58,172.0091207,2.3,17.1,141,0,0,2,2,11,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"3,5-DINITRO-4-METHYLANILINE",019406-51-0,29574,"4-methyl-3,5-dinitroaniline",CC1=C(C=C(C=C1[N+](=O)[O-])N)[N+](=O)[O-],"InChI=1S/C7H7N3O4/c1-4-6(9(11)12)2-5(8)3-7(4)10(13)14/h2-3H,8H2,1H3",KQRJATLINVYHEZ-UHFFFAOYSA-N,C7H7N3O4,197.15,197.0436557,1.1,118,222,0,1,5,0,14,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
M-PHENETIDINE,000621-33-0,12120,3-ethoxyaniline,CCOC1=CC=CC(=C1)N,"InChI=1S/C8H11NO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2,9H2,1H3",WEZAHYDFZNTGKE-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,1.3,35.3,95,0,1,2,2,10,"greater than 235 °F (NTP, 1992)","478 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,5-DINITROPHENOL",000329-71-5,9492,"2,5-dinitrophenol",C1=CC(=C(C=C1[N+](=O)[O-])O)[N+](=O)[O-],"InChI=1S/C6H4N2O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H",UWEZBKLLMKVIPI-UHFFFAOYSA-N,C6H4N2O5,184.11,184.0120212,1.8,112,220,0,1,5,0,13,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
N-METHYL-N-PROPARGYLBENZYLAMINE,000555-57-7,4688,N-benzyl-N-methylprop-2-yn-1-amine,CN(CC#C)CC1=CC=CC=C1,"InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3",DPWPWRLQFGFJFI-UHFFFAOYSA-N,C11H13N,159.23,159.1047994,2.1,3.2,159,0,0,1,3,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(+)-METHAMPHETAMINE HYDROCHLORIDE,000051-57-0,66124,(2S)-N-methyl-1-phenylpropan-2-amine;hydrochloride,C[C@@H](CC1=CC=CC=C1)NC.Cl,"InChI=1S/C10H15N.ClH/c1-9(11-2)8-10-6-4-3-5-7-10;/h3-7,9,11H,8H2,1-2H3;1H/t9-;/m0./s1",TWXDDNPPQUTEOV-FVGYRXGTSA-N,C10H16ClN,185.69,185.0971272,,12,95,0,2,1,3,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,3,4,5-TETRACHLOROPHENOL",004901-51-3,21013,"2,3,4,5-tetrachlorophenol",C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)O,"InChI=1S/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H",RULKYXXCCZZKDZ-UHFFFAOYSA-N,C6H2Cl4O,231.9,231.883025,4.2,20.2,143,0,1,1,0,11,,"Sublimes (NTP, 1992)",1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3,5,6-TETRACHLOROPHENOL",000935-95-5,13636,"2,3,5,6-tetrachlorophenol",C1=C(C(=C(C(=C1Cl)Cl)O)Cl)Cl,"InChI=1S/C6H2Cl4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H",KEWNKZNZRIAIAK-UHFFFAOYSA-N,C6H2Cl4O,231.9,231.883025,3.9,20.2,129,0,1,1,0,11,,"327 °F at 23 mmHg (NTP, 1992)",0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
1-FLUORO-2-NITROBENZENE,001493-27-2,73895,1-fluoro-2-nitrobenzene,C1=CC=C(C(=C1)[N+](=O)[O-])F,InChI=1S/C6H4FNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,PWKNBLFSJAVFAB-UHFFFAOYSA-N,C6H4FNO2,141.1,141.0226065,1.7,45.8,134,0,0,3,0,10,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
1-FLUORO-3-NITROBENZENE,000402-67-5,9823,1-fluoro-3-nitrobenzene,C1=CC(=CC(=C1)F)[N+](=O)[O-],InChI=1S/C6H4FNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,WMASLRCNNKMRFP-UHFFFAOYSA-N,C6H4FNO2,141.1,141.0226065,1.9,45.8,134,0,0,3,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,0
3-FLUOROPHENOL,000372-20-3,9743,3-fluorophenol,C1=CC(=CC(=C1)F)O,"InChI=1S/C6H5FO/c7-5-2-1-3-6(8)4-5/h1-4,8H",SJTBRFHBXDZMPS-UHFFFAOYSA-N,C6H5FO,112.1,112.0324429,1.9,20.2,74,0,1,2,0,8,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-NITROBENZAMIDE,000619-80-7,12091,4-nitrobenzamide,C1=CC(=CC=C1C(=O)N)[N+](=O)[O-],"InChI=1S/C7H6N2O3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H,(H2,8,10)",ZESWUEBPRPGMTP-UHFFFAOYSA-N,C7H6N2O3,166.13,166.0378421,0.8,88.9,191,0,1,3,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHYL-2-NITROANILINE,000089-62-3,6978,4-methyl-2-nitroaniline,CC1=CC(=C(C=C1)N)[N+](=O)[O-],"InChI=1S/C7H8N2O2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3",DLURHXYXQYMPLT-UHFFFAOYSA-N,C7H8N2O2,152.15,152.0585775,2,71.8,155,0,1,3,0,11,"315 °F (NTP, 1992)",,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
(R)-(-)-EPINEPHRINE,000051-43-4,5816,"4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol",CNC[C@@H](C1=CC(=C(C=C1)O)O)O,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1",UCTWMZQNUQWSLP-VIFPVBQESA-N,C9H13NO3,183.2,183.0895433,-1.4,72.7,154,0,4,4,3,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-AMINOBENZOTRIFLUORIDE,000455-14-1,9964,4-(trifluoromethyl)aniline,C1=CC(=CC=C1C(F)(F)F)N,"InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2",ODGIMMLDVSWADK-UHFFFAOYSA-N,C7H6F3N,161.12,161.0452337,2.4,26,124,0,1,4,0,11,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0
"2,6-DIMETHYLPHENYL ISOCYANATE",028556-81-2,98787,"2-isocyanato-1,3-dimethylbenzene",CC1=C(C(=CC=C1)C)N=C=O,"InChI=1S/C9H9NO/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3",YQLRKXVEALTVCZ-UHFFFAOYSA-N,C9H9NO,147.17,147.0684139,3.5,29.4,162,0,0,2,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
TETRAFLUOROTEREPHTHALONITRILE,001835-49-0,15783,"2,3,5,6-tetrafluorobenzene-1,4-dicarbonitrile",C(#N)C1=C(C(=C(C(=C1F)F)C#N)F)F,InChI=1S/C8F4N2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11,PCRSJGWFEMHHEW-UHFFFAOYSA-N,C8F4N2,200.09,199.9997607,1.8,47.6,266,0,0,6,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-CHLORO-O-TOLUIDINE,000087-63-8,6897,2-chloro-6-methylaniline,CC1=C(C(=CC=C1)Cl)N,"InChI=1S/C7H8ClN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3",WFNLHDJJZSJARK-UHFFFAOYSA-N,C7H8ClN,141.6,141.034527,2.2,26,94,0,1,1,0,9,,,0,1,1,1,0,0,0,1,0,0,1,0,0,0,0,0,1,0,1,1
"1,4-PHENYLENE DIISOTHIOCYANATE",004044-65-9,19958,"1,4-diisothiocyanatobenzene",C1=CC(=CC=C1N=C=S)N=C=S,InChI=1S/C8H4N2S2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H,OMWQUXGVXQELIX-UHFFFAOYSA-N,C8H4N2S2,192.3,191.9815905,4.7,88.9,205,0,0,4,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
2-METHYL-3-NITROANILINE,000603-83-8,11783,2-methyl-3-nitroaniline,CC1=C(C=CC=C1[N+](=O)[O-])N,"InChI=1S/C7H8N2O2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,8H2,1H3",HFCFJYRLBAANKN-UHFFFAOYSA-N,C7H8N2O2,152.15,152.0585775,1.8,71.8,155,0,1,3,0,11,,"581 °F at 760 mmHg (decomposes) (NTP, 1992)",0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
PENTAFLUOROBENZOIC ACID,000602-94-8,11770,"2,3,4,5,6-pentafluorobenzoic acid",C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)O,"InChI=1S/C7HF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)",YZERDTREOUSUHF-UHFFFAOYSA-N,C7HF5O2,212.07,211.9896701,2,37.3,220,0,1,7,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(+/-)-NOREPINEPHRINE HYDROCHLORIDE,000055-27-6,5923,"4-(2-amino-1-hydroxyethyl)benzene-1,2-diol;hydrochloride",C1=CC(=C(C=C1C(CN)O)O)O.Cl,"InChI=1S/C8H11NO3.ClH/c9-4-8(12)5-1-2-6(10)7(11)3-5;/h1-3,8,10-12H,4,9H2;1H",FQTFHMSZCSUVEU-UHFFFAOYSA-N,C8H12ClNO3,205.64,205.0505709,,86.7,142,0,5,4,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-FLUOROCINNAMIC ACID,000459-32-5,98070,3-(4-fluorophenyl)prop-2-enoic acid,C1=CC(=CC=C1C=CC(=O)O)F,"InChI=1S/C9H7FO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)",ISMMYAZSUSYVQG-UHFFFAOYSA-N,C9H7FO2,166.15,166.0430076,1.9,37.3,181,0,1,3,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ALPHA,ALPHA,ALPHA-TRIFLUORO-M-CRESOL",000098-17-9,7376,3-(trifluoromethyl)phenol,C1=CC(=CC(=C1)O)C(F)(F)F,"InChI=1S/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H",UGEJOEBBMPOJMT-UHFFFAOYSA-N,C7H5F3O,162.11,162.0292493,3,20.2,132,0,1,4,0,11,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-DICHLOROBENZENE-D4",003855-82-1,123202,"1,4-dichloro-2,3,5,6-tetradeuteriobenzene",[2H]C1=C(C(=C(C(=C1Cl)[2H])[2H])Cl)[2H],"InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H/i1D,2D,3D,4D",OCJBOOLMMGQPQU-RHQRLBAQSA-N,C6H4Cl2,151.02,149.9941125,3.4,0,54,0,0,0,0,8,,,1,0,0,1,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0
4-NITROBENZENEACETONITRILE,000555-21-5,68386,2-(4-nitrophenyl)acetonitrile,C1=CC(=CC=C1CC#N)[N+](=O)[O-],"InChI=1S/C8H6N2O2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5H2",PXNJGLAVKOXITN-UHFFFAOYSA-N,C8H6N2O2,162.15,162.0429274,1.4,69.6,205,0,0,3,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-NITRO-DL-PHENYLALANINE,002922-40-9,65089,2-amino-3-(4-nitrophenyl)propanoic acid,C1=CC(=CC=C1CC(C(=O)O)N)[N+](=O)[O-],"InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)",GTVVZTAFGPQSPC-UHFFFAOYSA-N,C9H10N2O4,210.19,210.0640568,-1.2,109,243,0,2,5,3,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
N-METHYL-N-NITROSOANILINE,000614-00-6,11957,N-methyl-N-phenylnitrous amide,CN(C1=CC=CC=C1)N=O,"InChI=1S/C7H8N2O/c1-9(8-10)7-5-3-2-4-6-7/h2-6H,1H3",MAXCWSIJKVASQC-UHFFFAOYSA-N,C7H8N2O,136.15,136.0636629,1.7,32.7,110,0,0,3,1,10,,"225 °C, decomp",0,1,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0
DL-ARTERENOL,000138-65-8,951,"4-(2-amino-1-hydroxyethyl)benzene-1,2-diol",C1=CC(=C(C=C1C(CN)O)O)O,"InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2",SFLSHLFXELFNJZ-UHFFFAOYSA-N,C8H11NO3,169.18,169.0738932,-1.2,86.7,142,0,4,4,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
TRIETHANOLAMINE DODECYLBENZENE SULFONATE,027323-41-7,33782,2-[bis(2-hydroxyethyl)amino]ethanol;3-dodecylbenzenesulfonic acid,CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)O.C(CO)N(CCO)CCO,"InChI=1S/C18H30O3S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(16-17)22(19,20)21;8-4-1-7(2-5-9)3-6-10/h12,14-16H,2-11,13H2,1H3,(H,19,20,21);8-10H,1-6H2",AVQBNVFOJDNROP-UHFFFAOYSA-N,C24H45NO6S,475.7,475.2967593,,127,415,0,4,7,18,32,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"P-TOLUENESULFONIC ACID, SODIUM SALT",000657-84-1,24195884,,CC1=CC=C(C=C1)S(=O)(=O)O.[Na],"InChI=1S/C7H8O3S.Na/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);",CUYTYLVEYFUAAX-UHFFFAOYSA-N,C7H8NaO3S,195.19,195.0091846,,62.8,206,0,1,3,1,12,,,1,1,1,1,0,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0
4-AMINOPHTHALONITRILE,056765-79-8,92529,"4-aminobenzene-1,2-dicarbonitrile",C1=CC(=C(C=C1N)C#N)C#N,"InChI=1S/C8H5N3/c9-4-6-1-2-8(11)3-7(6)5-10/h1-3H,11H2",RRCAJFYQXKPXOJ-UHFFFAOYSA-N,C8H5N3,143.15,143.0483472,0.7,73.6,228,0,1,3,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-METHYL-4-NITROANILINE,000099-52-5,7441,2-methyl-4-nitroaniline,CC1=C(C=CC(=C1)[N+](=O)[O-])N,"InChI=1S/C7H8N2O2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,8H2,1H3",XTTIQGSLJBWVIV-UHFFFAOYSA-N,C7H8N2O2,152.15,152.0585775,1.1,71.8,155,0,1,3,0,11,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
3-CHLORO-4-METHYLANILINE,000095-74-9,7255,3-chloro-4-methylaniline,CC1=C(C=C(C=C1)N)Cl,"InChI=1S/C7H8ClN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3",RQKFYFNZSHWXAW-UHFFFAOYSA-N,C7H8ClN,141.6,141.034527,2.9,26,94,0,1,1,0,9,"212 °F (NTP, 1992)","468 to 471 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
TETRAMETHYLAMMONIUM HYDROGENPHTHALATE,079723-02-7,12892904,2-carboxybenzoate;tetramethylazanium,C[N+](C)(C)C.C1=CC=C(C(=C1)C(=O)O)C(=O)[O-],"InChI=1S/C8H6O4.C4H12N/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-5(2,3)4/h1-4H,(H,9,10)(H,11,12);1-4H3/q;+1/p-1",KQTFRASJMFIJPC-UHFFFAOYSA-M,C12H17NO4,239.27,239.115758,,77.4,213,0,1,4,1,17,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
1-ACETYL-2-PHENYLHYDRAZINE,000114-83-0,8247,N'-phenylacetohydrazide,CC(=O)NNC1=CC=CC=C1,"InChI=1S/C8H10N2O/c1-7(11)9-10-8-5-3-2-4-6-8/h2-6,10H,1H3,(H,9,11)",UICBCXONCUFSOI-UHFFFAOYSA-N,C8H10N2O,150.18,150.0793129,0.7,41.1,130,0,2,2,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"3,4-DICHLOROPHENYLACETONITRILE",003218-49-3,76690,"2-(3,4-dichlorophenyl)acetonitrile",C1=CC(=C(C=C1CC#N)Cl)Cl,"InChI=1S/C8H5Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2",QWZNCAFWRZZJMA-UHFFFAOYSA-N,C8H5Cl2N,186.03,184.9799046,3.3,23.8,172,0,0,1,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BROMO-4-METHYLANILINE,007745-91-7,82187,3-bromo-4-methylaniline,CC1=C(C=C(C=C1)N)Br,"InChI=1S/C7H8BrN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3",GRXMMIBZRMKADT-UHFFFAOYSA-N,C7H8BrN,186.05,184.98401,1.5,26,94,0,1,1,0,9,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MANDELONITRILE,000532-28-5,10758,2-hydroxy-2-phenylacetonitrile,C1=CC=C(C=C1)C(C#N)O,"InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H",NNICRUQPODTGRU-UHFFFAOYSA-N,C8H7NO,133.15,133.0527638,1,44,141,0,1,2,1,10,"179.5 °F (NTP, 1992)","338 °F at 760 mmHg (decomposes) (NTP, 1992)",0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"N4,N4-DIETHYL-2-METHYL-1,4-PHENYLENE-DIAMINE MONOHYDROCHLORIDE",002051-79-8,108623,"4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;hydrochloride",CCN(CC)C1=CC(=C(C=C1)N)C.Cl,"InChI=1S/C11H18N2.ClH/c1-4-13(5-2)10-6-7-11(12)9(3)8-10;/h6-8H,4-5,12H2,1-3H3;1H",MPLZNPZPPXERDA-UHFFFAOYSA-N,C11H19ClN2,214.73,214.1236763,,29.3,143,0,2,2,3,14,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
4-BROMOBENZONITRILE,000623-00-7,12162,4-bromobenzonitrile,C1=CC(=CC=C1C#N)Br,InChI=1S/C7H4BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,HQSCPPCMBMFJJN-UHFFFAOYSA-N,C7H4BrN,182.02,180.95271,2.6,23.8,127,0,0,1,0,9,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
3-IODOBENZONITRILE,069113-59-3,144341,3-iodobenzonitrile,C1=CC(=CC(=C1)I)C#N,InChI=1S/C7H4IN/c8-7-3-1-2-6(4-7)5-9/h1-4H,BGARPMGQRREXLN-UHFFFAOYSA-N,C7H4IN,229.02,228.93885,3,23.8,135,0,0,1,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NITROSOBENZENE,000586-96-9,11473,nitrosobenzene,C1=CC=C(C=C1)N=O,InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H,NLRKCXQQSUWLCH-UHFFFAOYSA-N,C6H5NO,107.11,107.0371138,2,29.4,76,0,0,2,0,8,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-TERT-BUTYLBENZALDEHYDE,000939-97-9,70324,4-tert-butylbenzaldehyde,CC(C)(C)C1=CC=C(C=C1)C=O,"InChI=1S/C11H14O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3",OTXINXDGSUFPNU-UHFFFAOYSA-N,C11H14O,162.23,162.1044651,3.1,17.1,147,0,0,1,2,12,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,1,0,0,1,0,0
"METHYL 2,4-DICHLOROPHENYLACETATE",055954-23-9,2734106,"methyl 2-(2,4-dichlorophenyl)acetate",COC(=O)CC1=C(C=C(C=C1)Cl)Cl,"InChI=1S/C9H8Cl2O2/c1-13-9(12)4-6-2-3-7(10)5-8(6)11/h2-3,5H,4H2,1H3",SRCVNBFTEARRJY-UHFFFAOYSA-N,C9H8Cl2O2,219.06,217.9901349,3.2,26.3,184,0,0,2,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ANILINE-D7,014545-23-4,2733418,"N,N,2,3,4,5,6-heptadeuterioaniline",[2H]C1=C(C(=C(C(=C1[2H])[2H])N([2H])[2H])[2H])[2H],"InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2/i1D,2D,3D,4D,5D/hD2",PAYRUJLWNCNPSJ-LQHBDRBESA-N,C6H7N,100.17,100.1017864,0.9,26,46,0,1,1,0,7,,,1,1,1,1,0,1,0,1,0,0,1,0,0,0,0,0,0,1,1,0
N-METHYL-4-NITROBENZENAMINE,000100-15-2,7483,N-methyl-4-nitroaniline,CNC1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C7H8N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3",XIFJZJPMHNUGRA-UHFFFAOYSA-N,C7H8N2O2,152.15,152.0585775,2,57.9,136,0,1,3,1,11,,"Decomposes (NTP, 1992)",0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"N,N,3-TRIMETHYLBENZENAMINE",000121-72-2,8488,"N,N,3-trimethylaniline",CC1=CC(=CC=C1)N(C)C,"InChI=1S/C9H13N/c1-8-5-4-6-9(7-8)10(2)3/h4-7H,1-3H3",CWOMTHDOJCARBY-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,2.8,3.2,98,0,0,1,1,10,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"1,3-DIISOCYANATOBENZENE",000123-61-5,31262,"1,3-diisocyanatobenzene",C1=CC(=CC(=C1)N=C=O)N=C=O,InChI=1S/C8H4N2O2/c11-5-9-7-2-1-3-8(4-7)10-6-12/h1-4H,VGHSXKTVMPXHNG-UHFFFAOYSA-N,C8H4N2O2,160.13,160.0272774,3.5,58.9,215,0,0,4,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
CAPSAICIN,000404-86-4,1548943,(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide,CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC,"InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+",YKPUWZUDDOIDPM-SOFGYWHQSA-N,C18H27NO3,305.4,305.1990937,3.6,58.6,341,0,2,3,9,22,113 °C (235 °F) - closed cup,210-220,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1-BROMO-2-NITRO-",000577-19-5,11341,1-bromo-2-nitrobenzene,C1=CC=C(C(=C1)[N+](=O)[O-])Br,InChI=1S/C6H4BrNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,ORPVVAKYSXQCJI-UHFFFAOYSA-N,C6H4BrNO2,202.01,200.94254,2.5,45.8,134,0,0,2,0,10,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"1,4-BENZENEDIACETONITRILE",000622-75-3,69327,2-[4-(cyanomethyl)phenyl]acetonitrile,C1=CC(=CC=C1CC#N)CC#N,"InChI=1S/C10H8N2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h1-4H,5-6H2",FUQCKESKNZBNOG-UHFFFAOYSA-N,C10H8N2,156.18,156.0687483,1.2,47.6,193,0,0,2,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-PHENYLPROPIONITRILE,001823-91-2,15761,2-phenylpropanenitrile,CC(C#N)C1=CC=CC=C1,"InChI=1S/C9H9N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,1H3",NVAOLENBKNECGF-UHFFFAOYSA-N,C9H9N,131.17,131.0734993,2.1,23.8,136,0,0,1,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CINNAMONITRILE,001885-38-7,1550846,(E)-3-phenylprop-2-enenitrile,C1=CC=C(C=C1)/C=C/C#N,InChI=1S/C9H7N/c10-8-4-7-9-5-2-1-3-6-9/h1-7H/b7-4+,ZWKNLRXFUTWSOY-QPJJXVBHSA-N,C9H7N,129.16,129.0578492,2,23.8,155,0,0,1,1,10,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
3-(P-CHLOROPHENYL)-DL-ALANINE,007424-00-2,4652,2-amino-3-(4-chlorophenyl)propanoic acid,C1=CC(=CC=C1CC(C(=O)O)N)Cl,"InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)",NIGWMJHCCYYCSF-UHFFFAOYSA-N,C9H10ClNO2,199.63,199.0400063,-0.5,63.3,178,0,2,3,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENE-1,4-DIAMMONIUM SULPHATE",016245-77-5,27769,"benzene-1,4-diamine;sulfuric acid",C1=CC(=CC=C1N)N.OS(=O)(=O)O,"InChI=1S/C6H8N2.H2O4S/c7-5-1-2-6(8)4-3-5;1-5(2,3)4/h1-4H,7-8H2;(H2,1,2,3,4)",UFPKLWVNKAMAPE-UHFFFAOYSA-N,C6H10N2O4S,206.22,206.036128,,135,136,0,4,6,0,13,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"1,3-BENZENEDICARBOXYLIC ACID, 5-BROMO-, DIMETHYL ESTER",051760-21-5,103954,"dimethyl 5-bromobenzene-1,3-dicarboxylate",COC(=O)C1=CC(=CC(=C1)Br)C(=O)OC,"InChI=1S/C10H9BrO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,1-2H3",QUJINGKSNJNXEB-UHFFFAOYSA-N,C10H9BrO4,273.08,271.96842,2.3,52.6,230,0,0,4,4,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(Dibromomethyl)benzene,000618-31-5,69249,dibromomethylbenzene,C1=CC=C(C=C1)C(Br)Br,"InChI=1S/C7H6Br2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H",VCJZTATVUDMNLU-UHFFFAOYSA-N,C7H6Br2,249.93,249.88158,3.4,0,75,0,0,0,1,9,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-PHENYLENEDIACETONITRILE",000626-22-2,69375,2-[3-(cyanomethyl)phenyl]acetonitrile,C1=CC(=CC(=C1)CC#N)CC#N,"InChI=1S/C10H8N2/c11-6-4-9-2-1-3-10(8-9)5-7-12/h1-3,8H,4-5H2",GRPFZJNUYXIVSL-UHFFFAOYSA-N,C10H8N2,156.18,156.0687483,1.3,47.6,203,0,0,2,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMOTEREPHTHALIC ACID,000586-35-6,68513,2-bromoterephthalic acid,C1=CC(=C(C=C1C(=O)O)Br)C(=O)O,"InChI=1S/C8H5BrO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)",QPBGNSFASPVGTP-UHFFFAOYSA-N,C8H5BrO4,245.03,243.93712,2.6,74.6,228,0,2,4,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIHYDROCAPSAICIN,019408-84-5,107982,N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide,CC(C)CCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC,"InChI=1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21)",XJQPQKLURWNAAH-UHFFFAOYSA-N,C18H29NO3,307.4,307.2147438,4.4,58.6,307,0,2,3,10,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINO-6-CHLOROBENZONITRILE,006575-11-7,81056,2-amino-6-chlorobenzonitrile,C1=CC(=C(C(=C1)Cl)C#N)N,"InChI=1S/C7H5ClN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,10H2",MEJVTQKBWPYBFG-UHFFFAOYSA-N,C7H5ClN2,152.58,152.0141259,2,49.8,160,0,1,2,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"COPPER BENZENE-1,3,5-TRICARBOXYLATE",051937-85-0,146014515,"copper 5-carboxybenzene-1,3-dicarboxylate",C1=C(C=C(C=C1C(=O)[O-])C(=O)[O-])C(=O)O.[Cu+2],"InChI=1S/C9H6O6.Cu/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;/h1-3H,(H,10,11)(H,12,13)(H,14,15);/q;+2/p-2",IOBSZFIEBJGCFR-UHFFFAOYSA-L,C9H4CuO6,271.67,270.930385,,118,264,0,1,6,1,16,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
BENZAMIDE OXIME,000613-92-3,7259353,N'-hydroxybenzenecarboximidamide,C1=CC=C(C=C1)/C(=N/O)/N,"InChI=1S/C7H8N2O/c8-7(9-10)6-4-2-1-3-5-6/h1-5,10H,(H2,8,9)",MXOQNVMDKHLYCZ-UHFFFAOYSA-N,C7H8N2O,136.15,136.0636629,1.1,58.6,128,0,2,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-CHLORO-2-NITROTOLUENE,005367-26-0,79328,1-chloro-3-methyl-2-nitrobenzene,CC1=C(C(=CC=C1)Cl)[N+](=O)[O-],"InChI=1S/C7H6ClNO2/c1-5-3-2-4-6(8)7(5)9(10)11/h2-4H,1H3",JLDKNVUJLUGIBQ-UHFFFAOYSA-N,C7H6ClNO2,171.58,171.0087061,2.7,45.8,157,0,0,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-ISOPROPOXYANILINE,007664-66-6,82112,4-propan-2-yloxyaniline,CC(C)OC1=CC=C(C=C1)N,"InChI=1S/C9H13NO/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7H,10H2,1-2H3",MLNFMFAMNBGAQT-UHFFFAOYSA-N,C9H13NO,151.21,151.099714,2.3,35.3,106,0,1,2,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DIFLUORO-4-HYDROXY-BENZONITRILE",002967-54-6,10749406,"3,5-difluoro-4-hydroxybenzonitrile",C1=C(C=C(C(=C1F)O)F)C#N,"InChI=1S/C7H3F2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H",XZNZJDPPWWFJAL-UHFFFAOYSA-N,C7H3F2NO,155.1,155.01827,1.5,44,176,0,1,4,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINO-3-FLUOROBENZONITRILE,115661-37-5,2783392,2-amino-3-fluorobenzonitrile,C1=CC(=C(C(=C1)F)N)C#N,"InChI=1S/C7H5FN2/c8-6-3-1-2-5(4-9)7(6)10/h1-3H,10H2",UNISSOLHERSZOW-UHFFFAOYSA-N,C7H5FN2,136.13,136.0436763,1.6,49.8,160,0,1,3,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4,5-TRICHLOROANILINE",000634-91-3,12469,"3,4,5-trichloroaniline",C1=C(C=C(C(=C1Cl)Cl)Cl)N,"InChI=1S/C6H4Cl3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2",XOGYQVITULCUGU-UHFFFAOYSA-N,C6H4Cl3N,196.5,194.940932,3.3,26,108,0,1,1,0,10,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2-AMINO-3,5-DIBROMOBENZONITRILE",068385-95-5,2734082,"2-amino-3,5-dibromobenzonitrile",C1=C(C=C(C(=C1C#N)N)Br)Br,"InChI=1S/C7H4Br2N2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2",WLZCMGXAEXFAQA-UHFFFAOYSA-N,C7H4Br2N2,275.93,275.87207,2.9,49.8,186,0,1,2,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ALPHA-NITROTOLUENE,000622-42-4,69321,nitromethylbenzene,C1=CC=C(C=C1)C[N+](=O)[O-],"InChI=1S/C7H7NO2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2",VLZLOWPYUQHHCG-UHFFFAOYSA-N,C7H7NO2,137.14,137.0476785,1.8,45.8,113,0,0,2,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,5-DIBROMO-1,2-PHENYLENEDIAMINE",049764-63-8,12196944,"4,5-dibromobenzene-1,2-diamine",C1=C(C(=CC(=C1Br)Br)N)N,"InChI=1S/C6H6Br2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2",TTXGKCVKGXHPRI-UHFFFAOYSA-N,C6H6Br2N2,265.93,265.88772,1.9,52,106,0,2,2,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"1,2-DIAMINO-4-BROMOBENZENE",001575-37-7,323593,"4-bromobenzene-1,2-diamine",C1=CC(=C(C=C1Br)N)N,"InChI=1S/C6H7BrN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2",WIHHVKUARKTSBU-UHFFFAOYSA-N,C6H7BrN2,187.04,185.97926,1.3,52,97,0,2,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
METHYL 4-AMINO-3-BROMOBENZOATE,106896-49-5,1515280,methyl 4-amino-3-bromobenzoate,COC(=O)C1=CC(=C(C=C1)N)Br,"InChI=1S/C8H8BrNO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,10H2,1H3",AIUWAOALZYWQBX-UHFFFAOYSA-N,C8H8BrNO2,230.06,228.97384,2.8,52.3,174,0,1,3,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
PHENYLSULPHONYLACETONITRILE,007605-28-9,82077,2-(benzenesulfonyl)acetonitrile,C1=CC=C(C=C1)S(=O)(=O)CC#N,"InChI=1S/C8H7NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,7H2",ZFCFFNGBCVAUDE-UHFFFAOYSA-N,C8H7NO2S,181.21,181.0197496,0.9,66.3,274,0,0,3,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMO-2-HYDROXYBENZONITRILE,288067-35-6,12966961,4-bromo-2-hydroxybenzonitrile,C1=CC(=C(C=C1Br)O)C#N,"InChI=1S/C7H4BrNO/c8-6-2-1-5(4-9)7(10)3-6/h1-3,10H",PAHSHGVACWNGEY-UHFFFAOYSA-N,C7H4BrNO,198.02,196.94763,2.5,44,162,0,1,2,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIBUTYL(PHENYLETHYNYL)TIN,003757-88-8,630640,tributyl(2-phenylethynyl)stannane,CCCC[Sn](CCCC)(CCCC)C#CC1=CC=CC=C1,"InChI=1S/C8H5.3C4H9.Sn/c1-2-8-6-4-3-5-7-8;3*1-3-4-2;/h3-7H;3*1,3-4H2,2H3;",PYMPTRMDPJYTDF-UHFFFAOYSA-N,C20H32Sn,391.2,392.152604,,0,291,0,0,0,11,21,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,0
PHENYL SELENOCYANATE,002179-79-5,555340,phenyl selenocyanate,C1=CC=C(C=C1)[Se]C#N,InChI=1S/C7H5NSe/c8-6-9-7-4-2-1-3-5-7/h1-5H,NODWRXQVQYOJGN-UHFFFAOYSA-N,C7H5NSe,182.09,182.95872,,23.8,118,0,0,1,1,9,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
2-(4-CHLOROPHENYLSULFONYL)ACETONITRILE,001851-09-8,735829,2-(4-chlorophenyl)sulfonylacetonitrile,C1=CC(=CC=C1S(=O)(=O)CC#N)Cl,"InChI=1S/C8H6ClNO2S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10/h1-4H,6H2",HAQGVGPNKGGSMK-UHFFFAOYSA-N,C8H6ClNO2S,215.66,214.9807773,1.6,66.3,303,0,0,3,2,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(METHYLTHIO)ANILINE,002987-53-3,76337,2-methylsulfanylaniline,CSC1=CC=CC=C1N,"InChI=1S/C7H9NS/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3",WBRPQQSADOCKCH-UHFFFAOYSA-N,C7H9NS,139.22,139.0455705,1.8,51.3,85,0,1,2,1,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,5-DIAMINOPHTHALONITRILE",129365-93-1,676368,"4,5-diaminobenzene-1,2-dicarbonitrile",C1=C(C(=CC(=C1N)N)C#N)C#N,"InChI=1S/C8H6N4/c9-3-5-1-7(11)8(12)2-6(5)4-10/h1-2H,11-12H2",PCKAZQYWUDIFQM-UHFFFAOYSA-N,C8H6N4,158.16,158.0592462,0,99.6,227,0,2,4,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4,5-TRIFLUOROBENZALDEHYDE",132123-54-7,2776954,"3,4,5-trifluorobenzaldehyde",C1=C(C=C(C(=C1F)F)F)C=O,InChI=1S/C7H3F3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-3H,NLAVHUUABUFSIG-UHFFFAOYSA-N,C7H3F3O,160.09,160.0135992,1.8,17.1,139,0,0,4,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-AMINO-, 2-(DIETHYLAMINO)ETHYL ESTER, MONOHYDROCHLORIDE",000051-05-8,5795,2-(diethylamino)ethyl 4-aminobenzoate;hydrochloride,CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.Cl,"InChI=1S/C13H20N2O2.ClH/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3;1H",HCBIBCJNVBAKAB-UHFFFAOYSA-N,C13H21ClN2O2,272.77,272.1291556,,55.6,221,0,2,4,7,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,1,0,1
"Hydrazine, phenethyl-",000051-71-8,3675,2-phenylethylhydrazine,C1=CC=C(C=C1)CCNN,"InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2",RMUCZJUITONUFY-UHFFFAOYSA-N,C8H12N2,136.19,136.1000484,1.2,38.1,77,0,2,2,3,10,,BP: 74 °C at 0.1 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-ISOPROPYLPHENOL N-METHYLCARBAMATE,000064-00-6,6143,(3-propan-2-ylphenyl) N-methylcarbamate,CC(C)C1=CC(=CC=C1)OC(=O)NC,"InChI=1S/C11H15NO2/c1-8(2)9-5-4-6-10(7-9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)",GYKXQTKSWLAUIT-UHFFFAOYSA-N,C11H15NO2,193.24,193.1102787,2.6,38.3,192,0,1,2,3,14,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1,4-BIS(TRICHLOROMETHYL)-",000068-36-0,6233,"1,4-bis(trichloromethyl)benzene",C1=CC(=CC=C1C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,"InChI=1S/C8H4Cl6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4H",OTEKOJQFKOIXMU-UHFFFAOYSA-N,C8H4Cl6,312.8,311.841466,4.6,0,161,0,0,0,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,4,5-TRICHLORONITROBENZENE",000089-69-0,6983,"1,2,4-trichloro-5-nitrobenzene",C1=C(C(=CC(=C1Cl)Cl)Cl)[N+](=O)[O-],InChI=1S/C6H2Cl3NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,IBRBMZRLVYKVRF-UHFFFAOYSA-N,C6H2Cl3NO2,226.4,224.915111,3.5,45.8,184,0,0,2,0,12,"greater than 230 °F (NTP, 1992)","550 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, N,N-DIETHYL-3-METHYL-",000091-67-8,66679,"N,N-diethyl-3-methylaniline",CCN(CC)C1=CC=CC(=C1)C,"InChI=1S/C11H17N/c1-4-12(5-2)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3",CIPVVROJHKLHJI-UHFFFAOYSA-N,C11H17N,163.26,163.1360995,3.5,3.2,118,0,0,1,3,12,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-[ETHYL(3-METHYLPHENYL)AMINO]ETHANOL,000091-88-3,7067,2-(N-ethyl-3-methylanilino)ethanol,CCN(CCO)C1=CC=CC(=C1)C,"InChI=1S/C11H17NO/c1-3-12(7-8-13)11-6-4-5-10(2)9-11/h4-6,9,13H,3,7-8H2,1-2H3",KRNUKKZDGDAWBF-UHFFFAOYSA-N,C11H17NO,179.26,179.1310142,2.5,23.5,138,0,1,2,4,13,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, N-(2-CHLOROETHYL)-N-ETHYL-",000092-49-9,7093,N-(2-chloroethyl)-N-ethylaniline,CCN(CCCl)C1=CC=CC=C1,"InChI=1S/C10H14ClN/c1-2-12(9-8-11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3",DBDNQNARCHWMSP-UHFFFAOYSA-N,C10H14ClN,183.68,183.0814771,3.4,3.2,110,0,0,1,4,12,,251-253 °C,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1,3-DIMETHYL-5-NITRO-",000099-12-7,7426,"1,3-dimethyl-5-nitrobenzene",CC1=CC(=CC(=C1)[N+](=O)[O-])C,"InChI=1S/C8H9NO2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3",BYFNZOKBMZKTSC-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,2.5,45.8,143,0,0,2,0,11,,"484 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"ANILINE AND CHLORO, BROMO-, AND NITRO-ANILINES",000099-29-6,66832,2-bromo-6-chloro-4-nitroaniline,C1=C(C=C(C(=C1Cl)N)Br)[N+](=O)[O-],"InChI=1S/C6H4BrClN2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2",GLUCALKKMFBJEB-UHFFFAOYSA-N,C6H4BrClN2O2,251.46,249.91447,2.4,71.8,187,0,1,3,0,12,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
HYDROXYPHENYLMERCURY,000100-57-2,7512,phenylmercury;hydrate,C1=CC=C(C=C1)[Hg].O,InChI=1S/C6H5.Hg.H2O/c1-2-4-6-5-3-1;;/h1-5H;;1H2,MSYUMXXVCSLXMR-UHFFFAOYSA-N,C6H7HgO,295.71,297.020333,,1,50,0,1,1,1,8,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,1,0
"3,4-Dichlorophenyl isocyanate",000102-36-3,7607,"1,2-dichloro-4-isocyanatobenzene",C1=CC(=C(C=C1N=C=O)Cl)Cl,InChI=1S/C7H3Cl2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H,MFUVCHZWGSJKEQ-UHFFFAOYSA-N,C7H3Cl2NO,188.01,186.9591691,4.2,29.4,179,0,0,2,1,11,,"244 °F at 18 mmHg (EPA, 1998)",0,0,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"BENZENEACETONITRILE, 4-METHOXY-",000104-47-2,66031,2-(4-methoxyphenyl)acetonitrile,COC1=CC=C(C=C1)CC#N,"InChI=1S/C9H9NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6H2,1H3",PACGLQCRGWFBJH-UHFFFAOYSA-N,C9H9NO,147.17,147.0684139,1.6,33,150,0,0,2,2,11,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENETHIOL, 4-BROMO-",000106-53-6,66049,4-bromobenzenethiol,C1=CC(=CC=C1S)Br,"InChI=1S/C6H5BrS/c7-5-1-3-6(8)4-2-5/h1-4,8H",FTBCOQFMQSTCQQ-UHFFFAOYSA-N,C6H5BrS,189.07,187.92953,3.2,1,66,0,1,1,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHOROTHIOIC ACID, O-[4-(AMINOSULFONYL)PHENYL] O,O-DIMETHYL ESTER",000115-93-5,8293,4-dimethoxyphosphinothioyloxybenzenesulfonamide,COP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)N,"InChI=1S/C8H12NO5PS2/c1-12-15(16,13-2)14-7-3-5-8(6-4-7)17(9,10)11/h3-6H,1-2H3,(H2,9,10,11)",BSBSDQUZDZXGFN-UHFFFAOYSA-N,C8H12NO5PS2,297.3,296.9894518,1.6,128,377,0,1,7,5,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ARSONIC ACID, (4-HYDROXY-3-NITROPHENYL)-",000121-19-7,5104,(4-hydroxy-3-nitrophenyl)arsonic acid,C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])O,"InChI=1S/C6H6AsNO6/c9-6-2-1-4(7(10,11)12)3-5(6)8(13)14/h1-3,9H,(H2,10,11,12)",XMVJITFPVVRMHC-UHFFFAOYSA-N,C6H6AsNO6,263.04,262.941106,,124,270,0,3,6,1,14,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
PHENTERMINE,000122-09-8,4771,2-methyl-1-phenylpropan-2-amine,CC(C)(CC1=CC=CC=C1)N,"InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3",DHHVAGZRUROJKS-UHFFFAOYSA-N,C10H15N,149.23,149.1204495,1.9,26,112,0,1,1,2,11,,205 °C at 750 mm Hg; 100 deg at 21 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANAMIDE, N-(4-ETHOXYPHENYL)-3-OXO-",000122-82-7,61053,N-(4-ethoxyphenyl)-3-oxobutanamide,CCOC1=CC=C(C=C1)NC(=O)CC(=O)C,"InChI=1S/C12H15NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7H,3,8H2,1-2H3,(H,13,15)",WWROGCAUSKGAMX-UHFFFAOYSA-N,C12H15NO3,221.25,221.1051933,2,55.4,245,0,1,3,5,16,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"CHLORPHENTERMINE HYDROCHLORIDE (LUCOFEN, PRE-SATE,APSEDON)",000151-06-4,65477,1-(4-chlorophenyl)-2-methylpropan-2-amine;hydrochloride,CC(C)(CC1=CC=C(C=C1)Cl)N.Cl,"InChI=1S/C10H14ClN.ClH/c1-10(2,12)7-8-3-5-9(11)6-4-8;/h3-6H,7,12H2,1-2H3;1H",WEJDYJKJPUPMLH-UHFFFAOYSA-N,C10H15Cl2N,220.14,219.0581549,,26,137,0,2,1,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Hydrazine, phenethyl-, sulfate (1:1)",000156-51-4,61100,2-phenylethylhydrazine;sulfuric acid,C1=CC=C(C=C1)CCNN.OS(=O)(=O)O,"InChI=1S/C8H12N2.H2O4S/c9-10-7-6-8-4-2-1-3-5-8;1-5(2,3)4/h1-5,10H,6-7,9H2;(H2,1,2,3,4)",RXBKMJIPNDOHFR-UHFFFAOYSA-N,C8H14N2O4S,234.28,234.0674281,,121,159,0,4,6,3,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzylamine, N-methyl-N-2-propynyl-, hydrochloride",000306-07-0,9373,N-benzyl-N-methylprop-2-yn-1-amine;hydrochloride,CN(CC#C)CC1=CC=CC=C1.Cl,"InChI=1S/C11H13N.ClH/c1-3-9-12(2)10-11-7-5-4-6-8-11;/h1,4-8H,9-10H2,2H3;1H",BCXCABRDBBWWGY-UHFFFAOYSA-N,C11H14ClN,195.69,195.0814771,,3.2,159,0,1,1,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-BENZENEDIOL, 4-[1-HYDROXY-2-(METHYLAMINO)ETHYL]-, HYDROCHLORIDE, (.+-.)-",000329-63-5,5924,"4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrochloride",CNCC(C1=CC(=C(C=C1)O)O)O.Cl,"InChI=1S/C9H13NO3.ClH/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;/h2-4,9-13H,5H2,1H3;1H",ATADHKWKHYVBTJ-UHFFFAOYSA-N,C9H14ClNO3,219.66,219.066221,,72.7,154,0,5,4,3,14,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 3-CHLORO-4-FLUORO-",000367-21-5,9708,3-chloro-4-fluoroaniline,C1=CC(=C(C=C1N)Cl)F,"InChI=1S/C6H5ClFN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2",YSEMCVGMNUUNRK-UHFFFAOYSA-N,C6H5ClFN,145.56,145.009455,2.1,26,99,0,1,2,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0
"1,3-BENZENEDIAMINE, SULFATE (1:1)",000541-70-8,10942,"benzene-1,3-diamine;sulfuric acid",C1=CC(=CC(=C1)N)N.OS(=O)(=O)O,"InChI=1S/C6H8N2.H2O4S/c7-5-2-1-3-6(8)4-5;1-5(2,3)4/h1-4H,7-8H2;(H2,1,2,3,4)",LDXYDHGRKFMULJ-UHFFFAOYSA-N,C6H10N2O4S,206.22,206.036128,,135,146,0,4,6,0,13,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"ACETAMIDE, N-METHYL-N-PHENYL-",000579-10-2,11364,N-methyl-N-phenylacetamide,CC(=O)N(C)C1=CC=CC=C1,"InChI=1S/C9H11NO/c1-8(11)10(2)9-6-4-3-5-7-9/h3-7H,1-2H3",LMTGCJANOQOGPI-UHFFFAOYSA-N,C9H11NO,149.19,149.084064,1.1,20.3,138,0,0,1,1,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-BUTENOIC ACID, 4-OXO-4-PHENYL-",000583-06-2,676116,(E)-4-oxo-4-phenylbut-2-enoic acid,C1=CC=C(C=C1)C(=O)/C=C/C(=O)O,"InChI=1S/C10H8O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-7H,(H,12,13)/b7-6+",PLPDHGOODMBBGN-VOTSOKGWSA-N,C10H8O3,176.17,176.0473441,1.5,54.4,224,0,1,3,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 2-BROMO-4-METHYL-",000583-68-6,11422,2-bromo-4-methylaniline,CC1=CC(=C(C=C1)N)Br,"InChI=1S/C7H8BrN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3",UVRRJILIXQAAFK-UHFFFAOYSA-N,C7H8BrN,186.05,184.98401,2,26,94,0,1,1,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 4-CHLORO-1,2-DINITRO-",000610-40-2,33097,"4-chloro-1,2-dinitrobenzene",C1=CC(=C(C=C1Cl)[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C6H3ClN2O4/c7-4-1-2-5(8(10)11)6(3-4)9(12)13/h1-3H,QVQSOXMXXFZAKU-UHFFFAOYSA-N,C6H3ClN2O4,202.55,201.9781343,2.2,91.6,224,0,0,4,0,13,>110 °C,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"BENZENAMINE, N,2-DIMETHYL-",000611-21-2,69137,"N,2-dimethylaniline",CC1=CC=CC=C1NC,"InChI=1S/C8H11N/c1-7-5-3-4-6-8(7)9-2/h3-6,9H,1-2H3",GUAWMXYQZKVRCW-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,2.2,12,80,0,1,1,1,9,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"BENZENAMINE, N-METHYL-2-NITRO-",000612-28-2,69157,N-methyl-2-nitroaniline,CNC1=CC=CC=C1[N+](=O)[O-],"InChI=1S/C7H8N2O2/c1-8-6-4-2-3-5-7(6)9(10)11/h2-5,8H,1H3",KFBOUJZFFJDYTA-UHFFFAOYSA-N,C7H8N2O2,152.15,152.0585775,2.2,57.9,144,0,1,3,1,11,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"N,N-DIETHYL-4-METHYL-BENZENAMINE",000613-48-9,69177,"N,N-diethyl-4-methylaniline",CCN(CC)C1=CC=C(C=C1)C,"InChI=1S/C11H17N/c1-4-12(5-2)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3",HKJNHYJTVPWVGV-UHFFFAOYSA-N,C11H17N,163.26,163.1360995,3.5,3.2,110,0,0,1,3,12,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
(2-METHYLPHENYL)THIOUREA,000614-78-8,2787703,(2-methylphenyl)thiourea,CC1=CC=CC=C1NC(=S)N,"InChI=1S/C8H10N2S/c1-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)",ACLZYRNSDLQOIA-UHFFFAOYSA-N,C8H10N2S,166.25,166.0564695,0.9,70.1,147,0,2,1,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-BENZENEDIAMINE, 2-METHYL-, DIHYDROCHLORIDE-",000615-45-2,11996,"2-methylbenzene-1,4-diamine;dihydrochloride",CC1=C(C=CC(=C1)N)N.Cl.Cl,"InChI=1S/C7H10N2.2ClH/c1-5-4-6(8)2-3-7(5)9;;/h2-4H,8-9H2,1H3;2*1H",VQUHVWVGRKTIBH-UHFFFAOYSA-N,C7H12Cl2N2,195.09,194.0377538,,52,92,0,4,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"1,4-BENZENEDIAMINE, 2-METHYL-, SULFATE (1:1)",000615-50-9,22856,"2-methylbenzene-1,4-diamine;sulfuric acid",CC1=C(C=CC(=C1)N)N.OS(=O)(=O)O,"InChI=1S/C7H10N2.H2O4S/c1-5-4-6(8)2-3-7(5)9;1-5(2,3)4/h2-4H,8-9H2,1H3;(H2,1,2,3,4)",KZTWOUOZKZQDMN-UHFFFAOYSA-N,C7H12N2O4S,220.25,220.051778,,135,174,0,4,6,0,14,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENAMINE, 2,4-DIBROMO-",000615-57-6,12004,"2,4-dibromoaniline",C1=CC(=C(C=C1Br)Br)N,"InChI=1S/C6H5Br2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2",DYSRXWYRUJCNFI-UHFFFAOYSA-N,C6H5Br2N,250.92,250.87682,2.9,26,97,0,1,1,0,9,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-(DIBROMOMETHYL)-4-NITRO-",000619-75-0,69276,1-(dibromomethyl)-4-nitrobenzene,C1=CC(=CC=C1C(Br)Br)[N+](=O)[O-],"InChI=1S/C7H5Br2NO2/c8-7(9)5-1-3-6(4-2-5)10(11)12/h1-4,7H",MKHFRSNFHCJQIQ-UHFFFAOYSA-N,C7H5Br2NO2,294.93,294.86665,3.5,45.8,161,0,0,2,1,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENAMINE, N,4-DIMETHYL-",000623-08-5,12165,"N,4-dimethylaniline",CC1=CC=C(C=C1)NC,"InChI=1S/C8H11N/c1-7-3-5-8(9-2)6-4-7/h3-6,9H,1-2H3",QCIFLGSATTWUQJ-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,2.1,12,72,0,1,1,1,9,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"1,3-BENZENEDIAMINE, 4-METHYL-, DIHYDROCHLORIDE",000636-23-7,71557,"4-methylbenzene-1,3-diamine;dihydrochloride",CC1=C(C=C(C=C1)N)N.Cl.Cl,"InChI=1S/C7H10N2.2ClH/c1-5-2-3-6(8)4-7(5)9;;/h2-4H,8-9H2,1H3;2*1H",FSSFFQIVJQERFY-UHFFFAOYSA-N,C7H12Cl2N2,195.09,194.0377538,,52,92,0,4,2,0,11,,,0,1,0,1,0,1,0,0,0,0,1,0,0,1,0,0,0,1,1,0
"HYDRAZINE, (4-METHYLPHENYL)-, MONOHYDROCHLORIDE",000637-60-5,12504,(4-methylphenyl)hydrazine;hydrochloride,CC1=CC=C(C=C1)NN.Cl,"InChI=1S/C7H10N2.ClH/c1-6-2-4-7(9-8)5-3-6;/h2-5,9H,8H2,1H3;1H",HMHWNJGOHUYVMD-UHFFFAOYSA-N,C7H11ClN2,158.63,158.0610761,,38.1,75,0,3,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BORON, (BENZENAMINE)TRIFLUORO-, (T-4)-",000660-53-7,138401028,trifluoro-(phenylazaniumyl)boranuide,[B-]([NH2+]C1=CC=CC=C1)(F)(F)F,"InChI=1S/C6H7BF3N/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H,11H2",VVPMIAKJDMDELQ-UHFFFAOYSA-N,C6H7BF3N,160.93,161.0623639,,16.6,119,0,1,4,1,11,,,1,1,1,1,0,1,0,1,0,0,1,0,0,0,0,0,0,1,1,0
"Benzyl alcohol, alpha-((ethylamino)methyl)-m-hydroxy-",000709-55-7,3306,3-[2-(ethylamino)-1-hydroxyethyl]phenol,CCNCC(C1=CC(=CC=C1)O)O,"InChI=1S/C10H15NO2/c1-2-11-7-10(13)8-4-3-5-9(12)6-8/h3-6,10-13H,2,7H2,1H3",SQVIAVUSQAWMKL-UHFFFAOYSA-N,C10H15NO2,181.23,181.1102787,0.1,52.5,141,0,3,3,4,13,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PROPANONE, 3-(DIMETHYLAMINO)-1-PHENYL-, HYDROCHLORIDE",000879-72-1,92844,3-(dimethylamino)-1-phenylpropan-1-one;hydrochloride,CN(C)CCC(=O)C1=CC=CC=C1.Cl,"InChI=1S/C11H15NO.ClH/c1-12(2)9-8-11(13)10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H",DKNDBIIKSJWQFL-UHFFFAOYSA-N,C11H16ClNO,213.7,213.0920418,,20.3,159,0,1,2,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEACETIC ACID, HYDRAZIDE",000937-39-3,70301,2-phenylacetohydrazide,C1=CC=C(C=C1)CC(=O)NN,"InChI=1S/C8H10N2O/c9-10-8(11)6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)",FPTCVTJCJMVIDV-UHFFFAOYSA-N,C8H10N2O,150.18,150.0793129,0.4,55.1,130,0,2,2,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ADIPEX-P (PHENTERMINE HYDROCHLORIDE),001197-21-3,70969,2-methyl-1-phenylpropan-2-amine;hydrochloride,CC(C)(CC1=CC=CC=C1)N.Cl,"InChI=1S/C10H15N.ClH/c1-10(2,11)8-9-6-4-3-5-7-9;/h3-7H,8,11H2,1-2H3;1H",NCAIGTHBQTXTLR-UHFFFAOYSA-N,C10H16ClN,185.69,185.0971272,,26,112,0,2,1,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, METHOXYDIMETHYL-",001329-97-1,73996,"4-methoxy-2,6-dimethylphenol",CC1=CC(=CC(=C1O)C)OC,"InChI=1S/C9H12O2/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5,10H,1-3H3",UCHRDYUBDZOFBJ-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,1.3,29.5,113,0,1,2,1,11,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"THIOUREA, [2-(TRIFLUOROMETHYL)PHENYL]-",001736-71-6,737227,[2-(trifluoromethyl)phenyl]thiourea,C1=CC=C(C(=C1)C(F)(F)F)NC(=S)N,"InChI=1S/C8H7F3N2S/c9-8(10,11)5-3-1-2-4-6(5)13-7(12)14/h1-4H,(H3,12,13,14)",FVXFFFHGYOYYQX-UHFFFAOYSA-N,C8H7F3N2S,220.22,220.0282039,1.1,70.1,217,0,2,4,1,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-[4-(1,1-DIMETHYLETHYL)-2,6-DIMETHYLPHENYL]-",002040-10-0,74879,"1-(4-tert-butyl-2,6-dimethylphenyl)ethanone",CC1=CC(=CC(=C1C(=O)C)C)C(C)(C)C,"InChI=1S/C14H20O/c1-9-7-12(14(4,5)6)8-10(2)13(9)11(3)15/h7-8H,1-6H3",JNHLHPMTMTYLCP-UHFFFAOYSA-N,C14H20O,204.31,204.1514153,4,17.1,224,0,0,1,2,15,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 5-METHYL-2-(1-METHYLETHYL)-4-NITROSO-",002364-54-7,75393,5-methyl-4-nitroso-2-propan-2-ylphenol,CC1=CC(=C(C=C1N=O)C(C)C)O,"InChI=1S/C10H13NO2/c1-6(2)8-5-9(11-13)7(3)4-10(8)12/h4-6,12H,1-3H3",YQVCMSSJMLGWAM-UHFFFAOYSA-N,C10H13NO2,179.22,179.0946287,2.7,49.7,182,0,1,3,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"NONANAMIDE, N-[(4-HYDROXY-3-METHOXYPHENYL)METHYL]-",002444-46-4,2998,N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide,CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC,"InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20)",RGOVYLWUIBMPGK-UHFFFAOYSA-N,C17H27NO3,293.4,293.1990937,4.2,58.6,283,0,2,3,10,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"2,3,5-TRIMETHYLPHENYL METHYLCARBAMATE",002655-15-4,25550,"(2,3,5-trimethylphenyl) N-methylcarbamate",CC1=CC(=C(C(=C1)OC(=O)NC)C)C,"InChI=1S/C11H15NO2/c1-7-5-8(2)9(3)10(6-7)14-11(13)12-4/h5-6H,1-4H3,(H,12,13)",NYOKZHDTNBDPOB-UHFFFAOYSA-N,C11H15NO2,193.24,193.1102787,2.5,38.3,205,0,1,2,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,5-DIMETHOXYAMPHETAMINE (DMA, 2,5-DMA)",002801-68-5,62787,"1-(2,5-dimethoxyphenyl)propan-2-amine",CC(CC1=C(C=CC(=C1)OC)OC)N,"InChI=1S/C11H17NO2/c1-8(12)6-9-7-10(13-2)4-5-11(9)14-3/h4-5,7-8H,6,12H2,1-3H3",LATVFYDIBMDBSY-UHFFFAOYSA-N,C11H17NO2,195.26,195.1259288,1.7,44.5,163,0,1,3,4,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANOL, 2-(2,4-DINITROPHENOXY)-",002831-60-9,76070,"2-(2,4-dinitrophenoxy)ethanol",C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OCCO,"InChI=1S/C8H8N2O6/c11-3-4-16-8-2-1-6(9(12)13)5-7(8)10(14)15/h1-2,5,11H,3-4H2",YYTMNJWMYPSLOD-UHFFFAOYSA-N,C8H8N2O6,228.16,228.038236,1.3,121,260,0,1,6,3,16,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZONITRILE, 4-IODO-",003058-39-7,76467,4-iodobenzonitrile,C1=CC(=CC=C1C#N)I,InChI=1S/C7H4IN/c8-7-3-1-6(5-9)2-4-7/h1-4H,XOKDXPVXJWTSRM-UHFFFAOYSA-N,C7H4IN,229.02,228.93885,3,23.8,127,0,0,1,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, 2-amino-N-(beta-hydroxy-2,5-dimethoxyphenethyl)-, monohydrochloride",003092-17-9,18340,"2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride",COC1=CC(=C(C=C1)OC)C(CNC(=O)CN)O.Cl,"InChI=1S/C12H18N2O4.ClH/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13;/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16);1H",MGCQZNBCJBRZDT-UHFFFAOYSA-N,C12H19ClN2O4,290.74,290.1033348,,93.8,262,0,4,5,6,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZALDEHYDE, 4-(METHYLTHIO)-",003446-89-7,76985,4-methylsulfanylbenzaldehyde,CSC1=CC=C(C=C1)C=O,"InChI=1S/C8H8OS/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3",QRVYABWJVXXOTN-UHFFFAOYSA-N,C8H8OS,152.22,152.0295861,2,42.4,106,0,0,2,2,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DODECANOIC ACID, PENTACHLOROPHENYL ESTER",003772-94-9,62524,"(2,3,4,5,6-pentachlorophenyl) dodecanoate",CCCCCCCCCCCC(=O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,"InChI=1S/C18H23Cl5O2/c1-2-3-4-5-6-7-8-9-10-11-12(24)25-18-16(22)14(20)13(19)15(21)17(18)23/h2-11H2,1H3",MKNJWAXSYGAMGJ-UHFFFAOYSA-N,C18H23Cl5O2,448.6,448.011118,10,26.3,366,0,0,2,12,25,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 4-(1-METHYLETHYL)-2,6-DINITRO-",004097-47-6,77730,"2,6-dinitro-4-propan-2-ylphenol",CC(C)C1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-],"InChI=1S/C9H10N2O5/c1-5(2)6-3-7(10(13)14)9(12)8(4-6)11(15)16/h3-5,12H,1-2H3",FVMCLNZPDUOPJC-UHFFFAOYSA-N,C9H10N2O5,226.19,226.0589714,2.9,112,259,0,1,5,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-[(4-AMINOPHENYL)ETHYLAMINO]-, SULFATE (1:1) (SALT)",004327-84-8,78023,2-[2-(4-aminophenyl)ethylamino]ethanol;sulfuric acid,C1=CC(=CC=C1CCNCCO)N.OS(=O)(=O)O,"InChI=1S/C10H16N2O.H2O4S/c11-10-3-1-9(2-4-10)5-6-12-7-8-13;1-5(2,3)4/h1-4,12-13H,5-8,11H2;(H2,1,2,3,4)",ISJLPPKOXNTVPP-UHFFFAOYSA-N,C10H18N2O5S,278.33,278.0936429,,141,203,0,5,7,5,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"PHENOL, 2-[[(TRIBUTYLSTANNYL)OXY]CARBONYL]-",004342-30-7,16683071,tributylstannyl 2-hydroxybenzoate,CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=CC=C1O,"InChI=1S/C7H6O3.3C4H9.Sn/c8-6-4-2-1-3-5(6)7(9)10;3*1-3-4-2;/h1-4,8H,(H,9,10);3*1,3-4H2,2H3;/q;;;;+1/p-1",ZSMRBQSZBQBLKB-UHFFFAOYSA-M,C19H32O3Sn,427.2,428.137347,,46.5,311,0,1,3,12,23,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"ARSONIC ACID, (2-NITROPHENYL)-",005410-29-7,79424,(2-nitrophenyl)arsonic acid,C1=CC=C(C(=C1)[N+](=O)[O-])[As](=O)(O)O,"InChI=1S/C6H6AsNO5/c9-7(10,11)5-3-1-2-4-6(5)8(12)13/h1-4H,(H2,9,10,11)",UYEDGVZDGVIURN-UHFFFAOYSA-N,C6H6AsNO5,247.04,246.946192,,103,244,0,2,5,1,13,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"MEFENOREX HYDROCHLORIDE (PONDINIL, DORACIL)",005586-87-8,21776,N-(3-chloropropyl)-1-phenylpropan-2-amine;hydrochloride,CC(CC1=CC=CC=C1)NCCCCl.Cl,"InChI=1S/C12H18ClN.ClH/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12;/h2-4,6-7,11,14H,5,8-10H2,1H3;1H",IDHNGYVCZUQHFV-UHFFFAOYSA-N,C12H19Cl2N,248.19,247.089455,,12,132,0,2,1,6,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"PHENOL, AMMONIUM SALT",005973-17-1,80075,azanium phenoxide,C1=CC=C(C=C1)[O-].[NH4+],"InChI=1S/C6H6O.H3N/c7-6-4-2-1-3-5-6;/h1-5,7H;1H3",XABJJJZIQNZSIM-UHFFFAOYSA-N,C6H9NO,111.14,111.0684139,,24.1,46,0,1,1,0,8,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propanol, 1-(o-allyloxyphenoxy)-3-isopropylamino-, hydrochloride",006452-73-9,71172,1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol;hydrochloride,CC(C)NCC(COC1=CC=CC=C1OCC=C)O.Cl,"InChI=1S/C15H23NO3.ClH/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3;/h4-8,12-13,16-17H,1,9-11H2,2-3H3;1H",COAJXCLTPGGDAJ-UHFFFAOYSA-N,C15H24ClNO3,301.81,301.1444713,,50.7,246,0,3,4,9,20,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 2-AMINO-4,5-DIMETHYL-",006623-41-2,81099,"2-amino-4,5-dimethylphenol",CC1=CC(=C(C=C1C)O)N,"InChI=1S/C8H11NO/c1-5-3-7(9)8(10)4-6(5)2/h3-4,10H,9H2,1-2H3",JEASLLCHQHBBGM-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,1.6,46.3,116,0,2,2,0,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"CARBONOCHLORIDIC ACID, 4-METHOXYPHENYL ESTER",007693-41-6,82128,(4-methoxyphenyl) carbonochloridate,COC1=CC=C(C=C1)OC(=O)Cl,"InChI=1S/C8H7ClO3/c1-11-6-2-4-7(5-3-6)12-8(9)10/h2-5H,1H3",CCFSGQKTSBIIHG-UHFFFAOYSA-N,C8H7ClO3,186.59,186.0083718,2.6,35.5,152,0,0,3,3,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHENOL, 2,6-DIMETHYL-4-NITROSO-",013331-93-6,83351,"2,6-dimethyl-4-nitrosophenol",CC1=CC(=CC(=C1O)C)N=O,"InChI=1S/C8H9NO2/c1-5-3-7(9-11)4-6(2)8(5)10/h3-4,10H,1-2H3",JLGGFXVVFUIJBA-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,0.7,49.7,137,0,1,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 4-(DIMETHYLAMINO)-3-METHYL-",014143-25-0,84222,4-(dimethylamino)-3-methylphenol,CC1=C(C=CC(=C1)O)N(C)C,"InChI=1S/C9H13NO/c1-7-6-8(11)4-5-9(7)10(2)3/h4-6,11H,1-3H3",SZBIKNXBDIVHKY-UHFFFAOYSA-N,C9H13NO,151.21,151.099714,2,23.5,125,0,1,2,1,11,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-BENZENEDICARBOXYLIC ACID, 2-METHYL-, DIMETHYL ESTER",014186-60-8,84245,"dimethyl 2-methylbenzene-1,4-dicarboxylate",CC1=C(C=CC(=C1)C(=O)OC)C(=O)OC,"InChI=1S/C11H12O4/c1-7-6-8(10(12)14-2)4-5-9(7)11(13)15-3/h4-6H,1-3H3",DXIRJLBDSXBZCS-UHFFFAOYSA-N,C11H12O4,208.21,208.0735589,2,52.6,249,0,0,4,4,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"FENPROPOREX (GACILIN, SOLVOLIP)",015686-61-0,61810,3-(1-phenylpropan-2-ylamino)propanenitrile,CC(CC1=CC=CC=C1)NCCC#N,"InChI=1S/C12H16N2/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,9-10H2,1H3",IQUFSXIQAFPIMR-UHFFFAOYSA-N,C12H16N2,188.27,188.1313485,1.9,35.8,186,0,1,2,5,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETIC ACID, 3,4-DIMETHOXY-, METHYL ESTER",015964-79-1,85213,"methyl 2-(3,4-dimethoxyphenyl)acetate",COC1=C(C=C(C=C1)CC(=O)OC)OC,"InChI=1S/C11H14O4/c1-13-9-5-4-8(6-10(9)14-2)7-11(12)15-3/h4-6H,7H2,1-3H3",DILOFCBIBDMHAY-UHFFFAOYSA-N,C11H14O4,210.23,210.0892089,1.3,44.8,205,0,0,4,5,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEDIAZONIUM, 2-METHYL-4-NITRO-",016047-24-8,68003,2-methyl-4-nitrobenzenediazonium,CC1=C(C=CC(=C1)[N+](=O)[O-])[N+]#N,"InChI=1S/C7H6N3O2/c1-5-4-6(10(11)12)2-3-7(5)9-8/h2-4H,1H3/q+1",RNBOFGSATMLBRI-UHFFFAOYSA-N,C7H6N3O2+,164.14,164.0460014,2.8,74,227,1,0,3,0,12,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1,3,5-TRICHLORO-2-NITRO-",018708-70-8,29228,"1,3,5-trichloro-2-nitrobenzene",C1=C(C=C(C(=C1Cl)[N+](=O)[O-])Cl)Cl,InChI=1S/C6H2Cl3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H,AEBJDOTVYMITIA-UHFFFAOYSA-N,C6H2Cl3NO2,226.4,224.915111,3.6,45.8,172,0,0,2,0,12,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"BENZOIC ACID, 3,5-DISULFO-, DISODIUM SALT",019089-55-5,87926,"disodium;5-carboxybenzene-1,3-disulfonate",C1=C(C=C(C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)O.[Na+].[Na+],"InChI=1S/C7H6O8S2.2Na/c8-7(9)4-1-5(16(10,11)12)3-6(2-4)17(13,14)15;;/h1-3H,(H,8,9)(H,10,11,12)(H,13,14,15);;/q;2*+1/p-2",NCBDBWXOBUXRIC-UHFFFAOYSA-L,C7H4Na2O8S2,326.2,325.914298,,168,426,0,1,8,1,19,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-PROPANONE, 1-(3-BROMOPHENYL)-",019829-31-3,88272,1-(3-bromophenyl)propan-1-one,CCC(=O)C1=CC(=CC=C1)Br,"InChI=1S/C9H9BrO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3",QSHLXVTVXQTHBS-UHFFFAOYSA-N,C9H9BrO,213.07,211.98368,2.9,17.1,144,0,0,1,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENAMINE, 4-CHLORO-, HYDROCHLORIDE",020265-96-7,5284363,4-chloroaniline;hydrochloride,C1=CC(=CC=C1N)Cl.Cl,"InChI=1S/C6H6ClN.ClH/c7-5-1-3-6(8)4-2-5;/h1-4H,8H2;1H",ISJBQSJDQZLCSF-UHFFFAOYSA-N,C6H7Cl2N,164.03,162.9955546,,26,66,0,2,1,0,9,,,1,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZONITRILE, 2-AMINO-3,5-DINITRO-",022603-53-8,89765,"2-amino-3,5-dinitrobenzonitrile",C1=C(C=C(C(=C1C#N)N)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C7H4N4O4/c8-3-4-1-5(10(12)13)2-6(7(4)9)11(14)15/h1-2H,9H2",RIYSFSQPHCAGLS-UHFFFAOYSA-N,C7H4N4O4,208.13,208.0232546,1.2,141,324,0,1,6,0,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Guanidine, ((2,6-dichlorobenzylidene)amino)-, monoacetate",023256-50-0,5702062,"acetic acid;2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine",CC(=O)O.C1=CC(=C(C(=C1)Cl)/C=N/N=C(N)N)Cl,"InChI=1S/C8H8Cl2N4.C2H4O2/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12;1-2(3)4/h1-4H,(H4,11,12,14);1H3,(H,3,4)/b13-4+;",MCSPBPXATWBACD-GAYQJXMFSA-N,C10H12Cl2N4O2,291.13,290.033731,,114,259,0,3,4,2,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 2-SEC-PENTYL-",026401-74-1,99016,2-pentan-2-ylphenol,CCCC(C)C1=CC=CC=C1O,"InChI=1S/C11H16O/c1-3-6-9(2)10-7-4-5-8-11(10)12/h4-5,7-9,12H,3,6H2,1-2H3",ROMXEVFSCNLHAB-UHFFFAOYSA-N,C11H16O,164.24,164.1201151,4,20.2,122,0,1,1,3,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneacetamide, N-(aminoiminomethyl)-2,6-dichloro-, monohydrochloride",029110-48-3,71401,"N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide;hydrochloride",C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl.Cl,"InChI=1S/C9H9Cl2N3O.ClH/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13;/h1-3H,4H2,(H4,12,13,14,15);1H",DGFYECXYGUIODH-UHFFFAOYSA-N,C9H10Cl3N3O,282.5,280.988945,,81.5,256,0,3,1,2,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1,3-DICHLORO-5-ISOCYANATO-",034893-92-0,94460,"1,3-dichloro-5-isocyanatobenzene",C1=C(C=C(C=C1Cl)Cl)N=C=O,InChI=1S/C7H3Cl2NO/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H,XEFUJGURFLOFAN-UHFFFAOYSA-N,C7H3Cl2NO,188.01,186.9591691,4,29.4,169,0,0,2,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"BENZENEMETHANOL, .ALPHA.-(1-AMINOETHYL)-, [R-(R*,R*)]-",037577-07-4,162265,"(1R,2R)-2-amino-1-phenylpropan-1-ol",C[C@H]([C@@H](C1=CC=CC=C1)O)N,"InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9+/m1/s1",DLNKOYKMWOXYQA-APPZFPTMSA-N,C9H13NO,151.21,151.099714,0.8,46.3,110,0,2,2,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONAMIDE, 4-AMINO-5-METHOXY-N,2-DIMETHYL-",049564-57-0,170791,"4-amino-5-methoxy-N,2-dimethylbenzenesulfonamide",CC1=CC(=C(C=C1S(=O)(=O)NC)OC)N,"InChI=1S/C9H14N2O3S/c1-6-4-7(10)8(14-3)5-9(6)15(12,13)11-2/h4-5,11H,10H2,1-3H3",GWSQAGVGSHXRJK-UHFFFAOYSA-N,C9H14N2O3S,230.29,230.0725135,0.5,89.8,299,0,2,5,3,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, 2-METHYL-5-NITRO-, MONOHYDROCHLORIDE",051085-52-0,162624,2-methyl-5-nitroaniline;hydrochloride,CC1=C(C=C(C=C1)[N+](=O)[O-])N.Cl,"InChI=1S/C7H8N2O2.ClH/c1-5-2-3-6(9(10)11)4-7(5)8;/h2-4H,8H2,1H3;1H",YTODVWJSAZXJHG-UHFFFAOYSA-N,C7H9ClN2O2,188.61,188.0352552,,71.8,155,0,2,3,0,12,,,0,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, 2-CHLORO-4,6-DIMETHYL-",063133-82-4,113033,"2-chloro-4,6-dimethylaniline",CC1=CC(=C(C(=C1)Cl)N)C,"InChI=1S/C8H10ClN/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,10H2,1-2H3",LKAQFOKMMXWRRQ-UHFFFAOYSA-N,C8H10ClN,155.62,155.050177,2.6,26,116,0,1,1,0,10,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propanoic acid, 2,2-dimethyl-, 4-(1-hydroxy-2-(methylamino)ethyl)-1,2-phenylen",064019-93-8,71486,"[2-(2,2-dimethylpropanoyloxy)-4-[1-hydroxy-2-(methylamino)ethyl]phenyl] 2,2-dimethylpropanoate;hydrochloride",CC(C)(C)C(=O)OC1=C(C=C(C=C1)C(CNC)O)OC(=O)C(C)(C)C.Cl,"InChI=1S/C19H29NO5.ClH/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6;/h8-10,13,20-21H,11H2,1-7H3;1H",VKFAUCPBMAGVRG-UHFFFAOYSA-N,C19H30ClNO5,387.9,387.1812508,,84.9,463,0,3,6,9,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-BENZENEDIAMINE, 2-METHOXY-, SULFATE (1:1)",066671-82-7,92374,"2-methoxybenzene-1,4-diamine;sulfuric acid",COC1=C(C=CC(=C1)N)N.OS(=O)(=O)O,"InChI=1S/C7H10N2O.H2O4S/c1-10-7-4-5(8)2-3-6(7)9;1-5(2,3)4/h2-4H,8-9H2,1H3;(H2,1,2,3,4)",HAGUXKMTUITVQW-UHFFFAOYSA-N,C7H12N2O5S,236.25,236.0466927,,144,189,0,4,7,1,15,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-BROMO-4-ETHOXY-2-METHYL-",068155-69-1,109666,1-bromo-4-ethoxy-2-methylbenzene,CCOC1=CC(=C(C=C1)Br)C,"InChI=1S/C9H11BrO/c1-3-11-8-4-5-9(10)7(2)6-8/h4-6H,3H2,1-2H3",YDVQAAWPYJCMHH-UHFFFAOYSA-N,C9H11BrO,215.09,213.99933,4,9.2,116,0,0,1,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DINOSEB METHYL ETHER,006099-79-2,138660,"1-butan-2-yl-2-methoxy-3,5-dinitrobenzene",CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC,"InChI=1S/C11H14N2O5/c1-4-7(2)9-5-8(12(14)15)6-10(13(16)17)11(9)18-3/h5-7H,4H2,1-3H3",UVYHORVGKZXEMP-UHFFFAOYSA-N,C11H14N2O5,254.24,254.0902716,3.3,101,312,0,0,5,3,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DINOSEB METHYL ETHER,002813-95-8,17776,"(2-butan-2-yl-4,6-dinitrophenyl) acetate",CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C,"InChI=1S/C12H14N2O6/c1-4-7(2)10-5-9(13(16)17)6-11(14(18)19)12(10)20-8(3)15/h5-7H,4H2,1-3H3",RDJTWDKSYLLHRW-UHFFFAOYSA-N,C12H14N2O6,282.25,282.0851862,3.1,118,388,0,0,6,4,20,>100 °C,at 0.53kPa: 170 °C,1,1,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
"N,N'-DI-SEC-BUTYL-P-PHENYLENEDIAMINE",000101-96-2,7589,"1-N,4-N-di(butan-2-yl)benzene-1,4-diamine",CCC(C)NC1=CC=C(C=C1)NC(C)CC,"InChI=1S/C14H24N2/c1-5-11(3)15-13-7-9-14(10-8-13)16-12(4)6-2/h7-12,15-16H,5-6H2,1-4H3",FSWDLYNGJBGFJH-UHFFFAOYSA-N,C14H24N2,220.35,220.1939488,4.5,24.1,154,0,2,2,6,16,"285 °F (NTP, 1992)",98 °C @ 26.6 Pa,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
LIDOCAINE HYDROCHLORIDE MONOHYDRATE,006108-05-0,16219577,"2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;hydrate;hydrochloride",CCN(CC)CC(=O)NC1=C(C=CC=C1C)C.O.Cl,"InChI=1S/C14H22N2O.ClH.H2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;;/h7-9H,5-6,10H2,1-4H3,(H,15,17);1H;1H2",YECIFGHRMFEPJK-UHFFFAOYSA-N,C14H25ClN2O2,288.81,288.1604557,,33.3,228,0,3,3,5,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
LACOSAMIDE,175481-36-4,219078,(2R)-2-acetamido-N-benzyl-3-methoxypropanamide,CC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1,"InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1",VPPJLAIAVCUEMN-GFCCVEGCSA-N,C13H18N2O3,250.29,250.1317424,0.3,67.4,275,0,2,3,6,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
3-FLUOROMETHCATHINONE,1049677-77-1,53415330,1-(3-fluorophenyl)-2-(methylamino)propan-1-one,CC(C(=O)C1=CC(=CC=C1)F)NC,"InChI=1S/C10H12FNO/c1-7(12-2)10(13)8-4-3-5-9(11)6-8/h3-7,12H,1-2H3",PQIBROLLUQSNQI-UHFFFAOYSA-N,C10H12FNO,181.21,181.0902922,1.7,29.1,184,0,1,3,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"ALPHA,ALPHA,ALPHA-TRIFLUORO-4-NITRO-M-CRESOL",000088-30-2,6931,4-nitro-3-(trifluoromethyl)phenol,C1=CC(=C(C=C1O)C(F)(F)F)[N+](=O)[O-],"InChI=1S/C7H4F3NO3/c8-7(9,10)5-3-4(12)1-2-6(5)11(13)14/h1-3,12H",ZEFMBAFMCSYJOO-UHFFFAOYSA-N,C7H4F3NO3,207.11,207.0143275,2.8,66.1,225,0,1,6,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NORPSEUDOEPHEDRINE,,441457,"(1S,2S)-2-amino-1-phenylpropan-1-ol",C[C@@H]([C@H](C1=CC=CC=C1)O)N,"InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9+/m0/s1",DLNKOYKMWOXYQA-IONNQARKSA-N,C9H13NO,151.21,151.099714,0.8,46.3,110,0,2,2,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DICHLOROBENZOIC ACID METHYL ESTER",,76192,"methyl 3,5-dichlorobenzoate",COC(=O)C1=CC(=CC(=C1)Cl)Cl,"InChI=1S/C8H6Cl2O2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3",BTEVDFJXGLQUDS-UHFFFAOYSA-N,C8H6Cl2O2,205.03,203.9744848,3.4,26.3,162,0,0,2,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DINITROTOLUENE-3,5,6-D3",093951-68-9,57852660,"1,2,5-trideuterio-3-methyl-4,6-dinitrobenzene",[2H]C1=C(C(=C(C(=C1C)[N+](=O)[O-])[2H])[N+](=O)[O-])[2H],"InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3/i2D,3D,4D",RMBFBMJGBANMMK-NRUYWUNFSA-N,C7H6N2O4,185.15,185.0515869,2,91.6,220,0,0,4,0,13,,,1,1,0,1,0,1,1,0,0,0,1,0,0,1,0,0,0,0,1,0
M-CRESOL-D8,302911-90-6,16212923,"1,2,3,5-tetradeuterio-4-deuteriooxy-6-(trideuteriomethyl)benzene",[2H]C1=C(C(=C(C(=C1[2H])O[2H])[2H])C([2H])([2H])[2H])[2H],"InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3/i1D3,2D,3D,4D,5D/hD",RLSSMJSEOOYNOY-IWRLGKISSA-N,C7H8O,116.19,116.1077288,2,20.2,70,0,1,1,0,8,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"STANNANE, (BENZOYLOXY)TRIBUTYL-",004342-36-3,16682834,tributylstannyl benzoate,CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=CC=C1,"InChI=1S/C7H6O2.3C4H9.Sn/c8-7(9)6-4-2-1-3-5-6;3*1-3-4-2;/h1-5H,(H,8,9);3*1,3-4H2,2H3;/q;;;;+1/p-1",JUEAPPHORMOWPK-UHFFFAOYSA-M,C19H32O2Sn,411.2,412.142433,,26.3,276,0,0,2,12,22,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
CARBONYL CYANIDE 3-CHLOROPHENYLHYDRAZONE,000555-60-2,2603,2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile,C1=CC(=CC(=C1)Cl)NN=C(C#N)C#N,"InChI=1S/C9H5ClN4/c10-7-2-1-3-8(4-7)13-14-9(5-11)6-12/h1-4,13H",UGTJLJZQQFGTJD-UHFFFAOYSA-N,C9H5ClN4,204.61,204.0202739,3.4,72,300,0,1,4,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NITRO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE",000384-22-5,9795,1-nitro-2-(trifluoromethyl)benzene,C1=CC=C(C(=C1)C(F)(F)F)[N+](=O)[O-],"InChI=1S/C7H4F3NO2/c8-7(9,10)5-3-1-2-4-6(5)11(12)13/h1-4H",NDZJSUCUYPZXPR-UHFFFAOYSA-N,C7H4F3NO2,191.11,191.0194129,2.6,45.8,199,0,0,5,0,13,"204 °F (NTP, 1992)","219 to 221 °F at 20 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHENOL-D6,013127-88-3,123295,"1,2,3,4,5-pentadeuterio-6-deuteriooxybenzene",[2H]C1=C(C(=C(C(=C1[2H])[2H])O[2H])[2H])[2H],"InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/i1D,2D,3D,4D,5D/hD",ISWSIDIOOBJBQZ-QNKSCLMFSA-N,C6H6O,100.15,100.0795253,1.5,20.2,46,0,1,1,0,7,,,0,1,1,1,0,0,0,0,0,0,1,0,0,0,0,0,1,0,1,0
NITROBENZENE-D5,004165-60-0,123210,"1,2,3,4,5-pentadeuterio-6-nitrobenzene",[2H]C1=C(C(=C(C(=C1[2H])[2H])[N+](=O)[O-])[2H])[2H],"InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D",LQNUZADURLCDLV-RALIUCGRSA-N,C6H5NO2,128.14,128.0634121,1.9,45.8,102,0,0,2,0,9,,,0,1,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"ANILINE-2,3,4,5,6,-D5",004165-61-1,123211,"2,3,4,5,6-pentadeuterioaniline",[2H]C1=C(C(=C(C(=C1[2H])[2H])N)[2H])[2H],"InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2/i1D,2D,3D,4D,5D",PAYRUJLWNCNPSJ-RALIUCGRSA-N,C6H7N,98.16,98.08923296,0.9,26,46,0,1,1,0,7,,,1,1,1,1,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0
4-BUTYLANILINE,000104-13-2,7694,4-butylaniline,CCCCC1=CC=C(C=C1)N,"InChI=1S/C10H15N/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4,11H2,1H3",OGIQUQKNJJTLSZ-UHFFFAOYSA-N,C10H15N,149.23,149.1204495,3,26,93,0,1,1,3,11,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
4-OCTYLPHENYL ISOCYANATE,069342-46-7,3702656,1-isocyanato-4-octylbenzene,CCCCCCCCC1=CC=C(C=C1)N=C=O,"InChI=1S/C15H21NO/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)16-13-17/h9-12H,2-8H2,1H3",ZOSTXKYJDXPWKN-UHFFFAOYSA-N,C15H21NO,231.33,231.1623143,6.5,29.4,225,0,0,2,8,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
4-FLUORO-3-(TRIFLUOROMETHYL)BENZONITRILE,067515-59-7,144255,4-fluoro-3-(trifluoromethyl)benzonitrile,C1=CC(=C(C=C1C#N)C(F)(F)F)F,"InChI=1S/C8H3F4N/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H",CQZQCORFYSSCFY-UHFFFAOYSA-N,C8H3F4N,189.11,189.0201618,2.6,23.8,226,0,0,5,0,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE-1,3,5-TRIAMINE TRIHYDROCHLORIDE",000638-09-5,19392033,"benzene-1,3,5-triamine;trihydrochloride",C1=C(C=C(C=C1N)N)N.Cl.Cl.Cl,"InChI=1S/C6H9N3.3ClH/c7-4-1-5(8)3-6(9)2-4;;;/h1-3H,7-9H2;3*1H",GSPBVFMIOSWQJB-UHFFFAOYSA-N,C6H12Cl3N3,232.5,231.00968,,78.1,63,0,6,3,0,12,,,1,1,1,1,0,0,1,1,0,0,1,0,0,0,0,0,1,1,0,1
"BENZENAMINE, HYDROBROMIDE",000542-11-0,68330,aniline;hydrobromide,C1=CC=C(C=C1)N.Br,"InChI=1S/C6H7N.BrH/c7-6-4-2-1-3-5-6;/h1-5H,7H2;1H",KBPWECBBZZNAIE-UHFFFAOYSA-N,C6H8BrN,174.04,172.98401,,26,46,0,2,1,0,8,,,1,1,1,1,0,1,1,1,0,0,1,0,0,0,0,0,0,1,1,0
"BENZENE, 1-ETHYNYL-3-NITRO-",003034-94-4,76432,1-ethynyl-3-nitrobenzene,C#CC1=CC(=CC=C1)[N+](=O)[O-],"InChI=1S/C8H5NO2/c1-2-7-4-3-5-8(6-7)9(10)11/h1,3-6H",JOUOQPWPDONKKS-UHFFFAOYSA-N,C8H5NO2,147.13,147.0320284,2.3,45.8,198,0,0,2,1,11,,,0,1,1,1,1,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-AMINO-3,5-DINITROTOLUENE",006393-42-6,22892,"4-methyl-2,6-dinitroaniline",CC1=CC(=C(C(=C1)[N+](=O)[O-])N)[N+](=O)[O-],"InChI=1S/C7H7N3O4/c1-4-2-5(9(11)12)7(8)6(3-4)10(13)14/h2-3H,8H2,1H3",MOOOPNRPJGZXPE-UHFFFAOYSA-N,C7H7N3O4,197.15,197.0436557,2.2,118,222,0,1,5,0,14,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
"BENZENAMINE, 2,6-DICHLORO-3-METHYL-",064063-37-2,116529,"2,6-dichloro-3-methylaniline",CC1=C(C(=C(C=C1)Cl)N)Cl,"InChI=1S/C7H7Cl2N/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,10H2,1H3",AYVZXDFCFQSWJD-UHFFFAOYSA-N,C7H7Cl2N,176.04,174.9955546,2.9,26,118,0,1,1,0,10,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
"2,4-XYLIDINE",000095-68-1,7250,"2,4-dimethylaniline",CC1=CC(=C(C=C1)N)C,"InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3",CZZZABOKJQXEBO-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,1.7,26,90,0,1,1,0,9,"205 °F (NTP, 1992)","417 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0
"BENZENAMINE, N-ETHYL-3-METHYL-",000102-27-2,7603,N-ethyl-3-methylaniline,CCNC1=CC=CC(=C1)C,"InChI=1S/C9H13N/c1-3-10-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3",GUYMMHOQXYZMJQ-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,3,12,90,0,1,1,2,10,,221 °C,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 2,6-DICHLORO-",000608-31-1,11846,"2,6-dichloroaniline",C1=CC(=C(C(=C1)Cl)N)Cl,"InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2",JDMFXJULNGEPOI-UHFFFAOYSA-N,C6H5Cl2N,162.01,160.9799046,2.8,26,87,0,1,1,0,9,>112 °C,at 0.7kPa: 97 °C,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
"2,3-DIMETHYLANILINE",000087-59-2,6893,"2,3-dimethylaniline",CC1=C(C(=CC=C1)N)C,"InChI=1S/C8H11N/c1-6-4-3-5-8(9)7(6)2/h3-5H,9H2,1-2H3",VVAKEQGKZNKUSU-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,2.3,26,90,0,1,1,0,9,"206 °F (NTP, 1992)","430 to 432 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"3,5-DIMETHYLANILINE",000108-69-0,7949,"3,5-dimethylaniline",CC1=CC(=CC(=C1)N)C,"InChI=1S/C8H11N/c1-6-3-7(2)5-8(9)4-6/h3-5H,9H2,1-2H3",MKARNSWMMBGSHX-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,2,26,80,0,1,1,0,9,"200 °F (NTP, 1992)","428 to 430 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
O-ANISIDINE HYDROCHLORIDE,000134-29-2,8638,2-methoxyaniline;hydrochloride,COC1=CC=CC=C1N.Cl,"InChI=1S/C7H9NO.ClH/c1-9-7-5-3-2-4-6(7)8;/h2-5H,8H2,1H3;1H",XCZCWGVXRBJCCD-UHFFFAOYSA-N,C7H10ClNO,159.61,159.0450916,,35.3,85,0,2,2,1,10,,,0,1,1,1,0,1,0,1,0,0,1,0,0,0,0,0,0,0,1,1
"2,4,6-TRICHLOROANILINE",000634-93-5,12471,"2,4,6-trichloroaniline",C1=C(C=C(C(=C1Cl)N)Cl)Cl,"InChI=1S/C6H4Cl3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2",NATVSFWWYVJTAZ-UHFFFAOYSA-N,C6H4Cl3N,196.5,194.940932,3.7,26,108,0,1,1,0,10,,"504 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
"2,5-DICHLOROANILINE",000095-82-9,7262,"2,5-dichloroaniline",C1=CC(=C(C=C1Cl)N)Cl,"InChI=1S/C6H5Cl2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2",AVYGCQXNNJPXSS-UHFFFAOYSA-N,C6H5Cl2N,162.01,160.9799046,2.9,26,97,0,1,1,0,9,"235 °F (NTP, 1992)","484 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
M-CHLOROANILINE,000108-42-9,7932,3-chloroaniline,C1=CC(=CC(=C1)Cl)N,"InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2",PNPCRKVUWYDDST-UHFFFAOYSA-N,C6H6ClN,127.57,127.0188769,1.9,26,74,0,1,1,0,8,"255 °F (NTP, 1992)","446.9 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,1,1,1,0,0,0,0,0,0,0,0,0,1,1,0
BENZYLTRIMETHYLAMMONIUM CHLORIDE,000056-93-9,5963,benzyl(trimethyl)azanium chloride,C[N+](C)(C)CC1=CC=CC=C1.[Cl-],"InChI=1S/C10H16N.ClH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1",KXHPPCXNWTUNSB-UHFFFAOYSA-M,C10H16ClN,185.69,185.0971272,,0,107,0,0,1,2,12,,"greater than 275 °F at 760 mmHg (decomposes) (NTP, 1992)",0,1,1,1,0,0,1,1,0,0,1,0,0,0,0,0,1,0,0,0
"Phosphorodithioic acid, O-ethyl O-(4-(methylthio)phenyl) S-propyl ester",035400-43-2,37125,ethoxy-(4-methylsulfanylphenoxy)-propylsulfanyl-sulfanylidene-lambda5-phosphane,CCCSP(=S)(OCC)OC1=CC=C(C=C1)SC,"InChI=1S/C12H19O2PS3/c1-4-10-18-15(16,13-5-2)14-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3",JXHJNEJVUNHLKO-UHFFFAOYSA-N,C12H19O2PS3,322.5,322.0284804,4.9,101,268,0,0,5,8,18,,155-158 °C at 0.1 mm Hg,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
4-(TERT-BUTYL)PHENYL ISOTHIOCYANATE,019241-24-8,140503,1-tert-butyl-4-isothiocyanatobenzene,CC(C)(C)C1=CC=C(C=C1)N=C=S,"InChI=1S/C11H13NS/c1-11(2,3)9-4-6-10(7-5-9)12-8-13/h4-7H,1-3H3",OCGNNCBNRBTUCG-UHFFFAOYSA-N,C11H13NS,191.29,191.0768706,5.2,44.5,203,0,0,2,2,13,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-DINITROPHENOL",000577-71-9,11348,"3,4-dinitrophenol",C1=CC(=C(C=C1O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C6H4N2O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H",AKLOLDQYWQAREW-UHFFFAOYSA-N,C6H4N2O5,184.11,184.0120212,1.2,112,220,0,1,5,0,13,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"PHENOL, 2-METHYL-4,6-DINITRO-, SODIUM SALT",002312-76-7,61298,"sodium 2-methyl-4,6-dinitrophenolate",CC1=CC(=CC(=C1[O-])[N+](=O)[O-])[N+](=O)[O-].[Na+],"InChI=1S/C7H6N2O5.Na/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14;/h2-3,10H,1H3;/q;+1/p-1",JQYJSVBNPUHHKB-UHFFFAOYSA-M,C7H5N2NaO5,220.11,220.0096156,,115,245,0,0,5,0,15,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
PHENYLHYDRAZINE,000100-63-0,7516,phenylhydrazine,C1=CC=C(C=C1)NN,"InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2",HKOOXMFOFWEVGF-UHFFFAOYSA-N,C6H8N2,108.14,108.0687483,1.2,38.1,57,0,2,2,1,8,"190 °F (USCG, 1999)","471 °F at 760 mmHg (with decomposition) (USCG, 1999)",1,1,1,1,0,1,0,1,0,0,1,0,0,0,0,0,1,1,1,0
M-CRESOL,000108-39-4,342,3-methylphenol,CC1=CC(=CC=C1)O,"InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3",RLSSMJSEOOYNOY-UHFFFAOYSA-N,C7H8O,108.14,108.0575149,2,20.2,70,0,1,1,0,8,"187 °F (NTP, 1992)","397 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PHENYLETHYLAMINE,000064-04-0,1001,2-phenylethanamine,C1=CC=C(C=C1)CCN,"InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2",BHHGXPLMPWCGHP-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,1.4,26,65,0,1,1,2,9,81 °C (178 °F) - closed cup,197.5 °C,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,4-DIFLUORO-1-NITROBENZENE",000446-35-5,67967,"2,4-difluoro-1-nitrobenzene",C1=CC(=C(C=C1F)F)[N+](=O)[O-],InChI=1S/C6H3F2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,RJXOVESYJFXCGI-UHFFFAOYSA-N,C6H3F2NO2,159.09,159.0131847,1.8,45.8,159,0,0,4,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, N-ETHYL-2-METHYL-",000094-68-8,7201,N-ethyl-2-methylaniline,CCNC1=CC=CC=C1C,"InChI=1S/C9H13N/c1-3-10-9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3",MWOUGPLLVVEUMM-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,2.5,12,90,0,1,1,2,10,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,1,1
N-METHYLANILINE,000100-61-8,7515,N-methylaniline,CNC1=CC=CC=C1,"InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3",AFBPFSWMIHJQDM-UHFFFAOYSA-N,C7H9N,107.15,107.0734993,1.7,12,55,0,1,1,1,8,"175 °F (NTP, 1992)","385.3 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
BAYGON,000114-26-1,4944,(2-propan-2-yloxyphenyl) N-methylcarbamate,CC(C)OC1=CC=CC=C1OC(=O)NC,"InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)",ISRUGXGCCGIOQO-UHFFFAOYSA-N,C11H15NO3,209.24,209.1051933,1.5,47.6,206,0,1,3,4,15,"greater than 300 °F (NIOSH, 2024)","Decomposes (NIOSH, 2024)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"FENFLURAMINE HYDROCHLORIDE(PONDIMIN, PONDERAL)+D287",000404-82-0,91452,N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydrochloride,CCNC(C)CC1=CC(=CC=C1)C(F)(F)F.Cl,"InChI=1S/C12H16F3N.ClH/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15;/h4-6,8-9,16H,3,7H2,1-2H3;1H",ZXKXJHAOUFHNAS-UHFFFAOYSA-N,C12H17ClF3N,267.72,267.1001617,,12,203,0,2,4,4,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-METHYL-5-(1-METHYLETHYL)PHENOL METHYL CARBAMATE,002631-37-0,17516,(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate,CC1=CC(=CC(=C1)OC(=O)NC)C(C)C,"InChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)",DTAPQAJKAFRNJB-UHFFFAOYSA-N,C12H17NO2,207.27,207.1259288,3.1,38.3,216,0,1,2,3,15,,"243 °F at 0.01 mmHg (EPA, 1998)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANOL, 2-[(4-AMINO-3-METHYLPHENYL)ETHYLAMINO]-, SULFATE (1:1) (SALT)",025646-77-9,91579,2-(4-amino-N-ethyl-3-methylanilino)ethanol;sulfuric acid,CCN(CCO)C1=CC(=C(C=C1)N)C.OS(=O)(=O)O,"InChI=1S/C11H18N2O.H2O4S/c1-3-13(6-7-14)10-4-5-11(12)9(2)8-10;1-5(2,3)4/h4-5,8,14H,3,6-7,12H2,1-2H3;(H2,1,2,3,4)",GVEYRUKUJCHJSR-UHFFFAOYSA-N,C11H20N2O5S,292.35,292.1092929,,132,245,0,4,7,4,19,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
DINOSEB,000088-85-7,6950,"2-butan-2-yl-4,6-dinitrophenol",CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O,"InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3",OWZPCEFYPSAJFR-UHFFFAOYSA-N,C10H12N2O5,240.21,240.0746215,3.6,112,298,0,1,5,2,17,"60.1 to 84.9 °F for 3 commercial products (EPA, 1998)",332 °C,1,1,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
METHIOCARB,002032-65-7,16248,"(3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate",CC1=CC(=CC(=C1SC)C)OC(=O)NC,"InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)",YFBPRJGDJKVWAH-UHFFFAOYSA-N,C11H15NO2S,225.31,225.0823499,2.9,63.6,211,0,1,3,3,15,,"Very high. (USCG, 1999)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
P-CRESOL,000106-44-5,2879,4-methylphenol,CC1=CC=C(C=C1)O,"InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3",IWDCLRJOBJJRNH-UHFFFAOYSA-N,C7H8O,108.14,108.0575149,1.9,20.2,62,0,1,1,0,8,"187 °F (NTP, 1992)","395.2 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PENTACHLOROPHENOL, SODIUM SALT",000131-52-2,23663539,"sodium 2,3,4,5,6-pentachlorophenolate",C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-].[Na+],InChI=1S/C6HCl5O.Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;/q;+1/p-1,HCJLVWUMMKIQIM-UHFFFAOYSA-M,C6Cl5NaO,288.3,287.825997,,23.1,155,0,0,1,0,13,,"Decomposes. (USCG, 1999)",1,1,1,1,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0,1
O-PHENETIDINE,000094-70-2,7203,2-ethoxyaniline,CCOC1=CC=CC=C1N,"InChI=1S/C8H11NO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2,9H2,1H3",ULHFFAFDSSHFDA-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,1.5,35.3,95,0,1,2,2,10,"greater than 200 °F (NTP, 1992)","444 to 450 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,6-DINITROPHENOL",000573-56-8,11312,"2,6-dinitrophenol",C1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-],"InChI=1S/C6H4N2O5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H",JCRIDWXIBSEOEG-UHFFFAOYSA-N,C6H4N2O5,184.11,184.0120212,1.4,112,198,0,1,5,0,13,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
M-TOLUIDINE,000108-44-1,7934,3-methylaniline,CC1=CC(=CC=C1)N,"InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3",JJYPMNFTHPTTDI-UHFFFAOYSA-N,C7H9N,107.15,107.0734993,1.4,26,70,0,1,1,0,8,"186 °F (USCG, 1999)","398.1 °F at 760 mmHg (USCG, 1999)",1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,6-DINITROTOLUENE",000606-20-2,11813,"2-methyl-1,3-dinitrobenzene",CC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3",XTRDKALNCIHHNI-UHFFFAOYSA-N,C7H6N2O4,182.13,182.0327567,2.1,91.6,198,0,0,4,0,13,"404 °F (NTP, 1992)","Decomposes (NTP, 1992)",0,1,1,1,0,1,1,0,0,0,1,0,0,1,0,0,0,0,1,0
"N,N-DIMETHYL-P-TOLUIDINE",000099-97-8,7471,"N,N,4-trimethylaniline",CC1=CC=C(C=C1)N(C)C,"InChI=1S/C9H13N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1-3H3",GYVGXEWAOAAJEU-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,2.8,3.2,90,0,0,1,1,10,76 °C (closed cup),211 °C,0,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
PHENYLHYDRAZINE HYDROCHLORIDE,000059-88-1,60962,phenylhydrazine;hydrochloride,C1=CC=C(C=C1)NN.Cl,"InChI=1S/C6H8N2.ClH/c7-8-6-4-2-1-3-5-6;/h1-5,8H,7H2;1H",JOVOSQBPPZZESK-UHFFFAOYSA-N,C6H9ClN2,144.6,144.045426,,38.1,57,0,3,2,1,9,,"Not pertinent; it decomposes (EPA, 1998)",1,1,1,1,0,1,0,1,0,0,1,0,0,0,0,0,1,1,1,0
ANILINE,000062-53-3,6115,aniline,C1=CC=C(C=C1)N,"InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2",PAYRUJLWNCNPSJ-UHFFFAOYSA-N,C6H7N,93.13,93.05784923,0.9,26,46,0,1,1,0,7,"158 °F (EPA, 1998)","363 to 367 °F at 760 mmHg (EPA, 1998)",1,1,1,1,0,1,0,1,0,0,1,0,0,0,0,0,0,1,1,0
P-CHLOROANILINE,000106-47-8,7812,4-chloroaniline,C1=CC(=CC=C1N)Cl,"InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2",QSNSCYSYFYORTR-UHFFFAOYSA-N,C6H6ClN,127.57,127.0188769,1.9,26,66,0,1,1,0,8,"235 °F (NTP, 1992)","450 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,4-DINITROTOLUENE",000121-14-2,8461,"1-methyl-2,4-dinitrobenzene",CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3",RMBFBMJGBANMMK-UHFFFAOYSA-N,C7H6N2O4,182.13,182.0327567,2,91.6,220,0,0,4,0,13,"405 °F (NTP, 1992)","572 °F at 760 mmHg (Decomposes) (NTP, 1992)",1,1,1,1,0,1,1,0,0,0,1,0,0,1,0,0,0,0,1,0
P-NITROANILINE,000100-01-6,7475,4-nitroaniline,C1=CC(=CC=C1N)[N+](=O)[O-],"InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2",TYMLOMAKGOJONV-UHFFFAOYSA-N,C6H6N2O2,138.12,138.0429274,1.4,71.8,124,0,1,3,0,10,"390 °F (NTP, 1992)","637 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
ISOFENPHOS [2-[[ETHOXYL[(1-METHYLETHYL)AMINO]PHOSPHINOTHIOYL]OXY]BENZOIC ACID,025311-71-1,32872,propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate,CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C,"InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22)",HOQADATXFBOEGG-UHFFFAOYSA-N,C15H24NO4PS,345.4,345.1163664,4.1,88.9,403,0,1,6,9,22,,120 °C @ 0.01 mm Hg,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,3-DIMETHYLPHENOL",000526-75-0,10687,"2,3-dimethylphenol",CC1=C(C(=CC=C1)O)C,"InChI=1S/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3",QWBBPBRQALCEIZ-UHFFFAOYSA-N,C8H10O,122.16,122.0731649,2.6,20.2,90,0,1,1,0,9,186 °F (CLOSED CUP),"424 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
O-TOLUIDINE,000095-53-4,7242,2-methylaniline,CC1=CC=CC=C1N,"InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3",RNVCVTLRINQCPJ-UHFFFAOYSA-N,C7H9N,107.15,107.0734993,1.3,26,70,0,1,1,0,8,"185 °F (NTP, 1992)","392 to 396 °F at 760 mmHg (NTP, 1992)",1,0,1,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,4-DINITROCHLOROBENZENE",000097-00-7,6,"1-chloro-2,4-dinitrobenzene",C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl,InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,VYZAHLCBVHPDDF-UHFFFAOYSA-N,C6H3ClN2O4,202.55,201.9781343,2.3,91.6,224,0,0,4,0,13,"382 °F (NFPA, 2010)",315 °C,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
P-TOLUIDINE,000106-49-0,7813,4-methylaniline,CC1=CC=C(C=C1)N,"InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3",RZXMPPFPUUCRFN-UHFFFAOYSA-N,C7H9N,107.15,107.0734993,1.4,26,62,0,1,1,0,8,"188 °F (USCG, 1999)","393 °F at 760 mmHg (USCG, 1999)",1,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,0,1,0,0
P-CHLOROBENZOIC ACID,000074-11-3,6318,4-chlorobenzoic acid,C1=CC(=CC=C1C(=O)O)Cl,"InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)",XRHGYUZYPHTUJZ-UHFFFAOYSA-N,C7H5ClO2,156.56,155.9978071,2.7,37.3,128,0,1,2,1,10,238 °C,"Sublimes (NTP, 1992)",0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DIMETHYLPHENOL",000108-68-9,7948,"3,5-dimethylphenol",CC1=CC(=CC(=C1)O)C,"InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3",TUAMRELNJMMDMT-UHFFFAOYSA-N,C8H10O,122.16,122.0731649,2.4,20.2,80,0,1,1,0,9,[HSDB] 80 °C,"427.1 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"3,4-DIMETHYLANILINE",000095-64-7,7248,"3,4-dimethylaniline",CC1=C(C=C(C=C1)N)C,"InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3",DOLQYFPDPKPQSS-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,2.5,26,90,0,1,1,0,9,"209 °F (NTP, 1992)","442 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,5-DIMETHYLPHENOL",000095-87-4,7267,"2,5-dimethylphenol",CC1=CC(=C(C=C1)C)O,"InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3",NKTOLZVEWDHZMU-UHFFFAOYSA-N,C8H10O,122.16,122.0731649,2.3,20.2,90,0,1,1,0,9,,"414 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
BENZALKONIUM CHLORIDE,008001-54-5,3014024,benzyl-dimethyl-tridecylazanium chloride,CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-],"InChI=1S/C22H40N.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-20-23(2,3)21-22-18-15-14-16-19-22;/h14-16,18-19H,4-13,17,20-21H2,1-3H3;1H/q+1;/p-1",XIWFQDBQMCDYJT-UHFFFAOYSA-M,C22H40ClN,354,353.284928,,0,253,0,0,1,14,24,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
3-ETHYLPHENOL,000620-17-7,12101,3-ethylphenol,CCC1=CC(=CC=C1)O,"InChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3",HMNKTRSOROOSPP-UHFFFAOYSA-N,C8H10O,122.16,122.0731649,2.4,20.2,80,0,1,1,1,9,,218.4 °C @ 760 MM HG,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-METHYLRESORCINOL,000608-25-3,11843,"2-methylbenzene-1,3-diol",CC1=C(C=CC=C1O)O,"InChI=1S/C7H8O2/c1-5-6(8)3-2-4-7(5)9/h2-4,8-9H,1H3",ZTMADXFOCUXMJE-UHFFFAOYSA-N,C7H8O2,124.14,124.0524295,1.6,40.5,82,0,2,2,0,9,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"3,4-DIAMINOTOLUENE",000496-72-0,10332,"4-methylbenzene-1,2-diamine",CC1=CC(=C(C=C1)N)N,"InChI=1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3",DGRGLKZMKWPMOH-UHFFFAOYSA-N,C7H10N2,122.17,122.0843983,0.6,52,92,0,2,2,0,9,,"509 °F at 760 mmHg (Sublimes) (NTP, 1992)",0,1,1,1,0,1,1,1,0,0,1,0,0,1,0,0,1,1,1,1
"2,4-DIAMINOPHENOL DIHYDROCHLORIDE",000137-09-7,8715,"2,4-diaminophenol;dihydrochloride",C1=CC(=C(C=C1N)N)O.Cl.Cl,"InChI=1S/C6H8N2O.2ClH/c7-4-1-2-6(9)5(8)3-4;;/h1-3,9H,7-8H2;2*1H",KQEIJFWAXDQUPR-UHFFFAOYSA-N,C6H10Cl2N2O,197.06,196.0170183,,72.3,97,0,5,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
4-CHLORO-2-METHYLANILINE,000095-69-2,7251,4-chloro-2-methylaniline,CC1=C(C=CC(=C1)Cl)N,"InChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3",CXNVOWPRHWWCQR-UHFFFAOYSA-N,C7H8ClN,141.6,141.034527,1.9,26,94,0,1,1,0,9,"320 °F (NTP, 1992)","466 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0
"2,3-DIAMINOTOLUENE",002687-25-4,17593,"3-methylbenzene-1,2-diamine",CC1=C(C(=CC=C1)N)N,"InChI=1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4H,8-9H2,1H3",AXNUJYHFQHQZBE-UHFFFAOYSA-N,C7H10N2,122.17,122.0843983,0.9,52,92,0,2,2,0,9,,255 °C,0,1,1,1,0,1,1,1,0,0,1,0,0,1,0,0,1,1,1,1
"1,4-BENZENEDIAMINE, 2-CHLORO-, SULFATE",006219-71-2,22584,"2-chlorobenzene-1,4-diamine;sulfuric acid",C1=CC(=C(C=C1N)Cl)N.OS(=O)(=O)O,"InChI=1S/C6H7ClN2.H2O4S/c7-5-3-4(8)1-2-6(5)9;1-5(2,3)4/h1-3H,8-9H2;(H2,1,2,3,4)",GQFGHCRXPLROOF-UHFFFAOYSA-N,C6H9ClN2O4S,240.67,239.9971556,,135,178,0,4,6,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
2-METHYL-5-NITROANILINE,000099-55-8,7444,2-methyl-5-nitroaniline,CC1=C(C=C(C=C1)[N+](=O)[O-])N,"InChI=1S/C7H8N2O2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,8H2,1H3",DSBIJCMXAIKKKI-UHFFFAOYSA-N,C7H8N2O2,152.15,152.0585775,1.9,71.8,155,0,1,3,0,11,,,0,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
PHENOL,000108-95-2,996,phenol,C1=CC=C(C=C1)O,"InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H",ISWSIDIOOBJBQZ-UHFFFAOYSA-N,C6H6O,94.11,94.04186481,1.5,20.2,46,0,1,1,0,7,"175 °F (NTP, 1992)","360 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,0,0,1,0,0,0,0,0,1,0,1,0
"2,5-DINITROTOLUENE",000619-15-8,12075,"2-methyl-1,4-dinitrobenzene",CC1=C(C=CC(=C1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C7H6N2O4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3",KZBOXYKTSUUBTO-UHFFFAOYSA-N,C7H6N2O4,182.13,182.0327567,2.7,91.6,220,0,0,4,0,13,404 °F (207 °C) (closed cup) /Dinitrotoluenes/,284 °C,0,1,1,1,0,1,1,0,0,0,1,0,0,1,0,0,0,0,1,0
"2,4-DINITROFLUOROBENZENE",000070-34-8,6264,"1-fluoro-2,4-dinitrobenzene",C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F,InChI=1S/C6H3FN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,LOTKRQAVGJMPNV-UHFFFAOYSA-N,C6H3FN2O4,186.1,186.0076847,1.6,91.6,224,0,0,5,0,13,"greater than 235 °F (NTP, 1992)","565 °F at 760 mmHg ; 352 °F at 25 mmHg ; 271 °F at 2 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,1,1
(NITRATO-O)PHENYLMERCURY,000055-68-5,16682924,nitrooxy(phenyl)mercury,C1=CC=C(C=C1)[Hg]O[N+](=O)[O-],InChI=1S/C6H5.Hg.NO3/c1-2-4-6-5-3-1;;2-1(3)4/h1-5H;;/q;+1;-1,PDTFCHSETJBPTR-UHFFFAOYSA-N,C6H5HgNO3,339.7,340.997587,,55.1,130,0,0,3,2,11,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,1,0
PYROCATECHOL,000120-80-9,289,"benzene-1,2-diol",C1=CC=C(C(=C1)O)O,"InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H",YCIMNLLNPGFGHC-UHFFFAOYSA-N,C6H6O2,110.11,110.0367794,0.9,40.5,62,0,2,2,0,8,"261 °F (NTP, 1992)","473 °F at 760 mmHg (sublimes) (NTP, 1992)",0,1,0,1,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,0
CUPFERRON,000135-20-6,2724103,azanium N-oxido-N-phenylnitrous amide,C1=CC=C(C=C1)N(N=O)[O-].[NH4+],InChI=1S/C6H5N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5H;1H3/q-1;/p+1,GDEBSAWXIHEMNF-UHFFFAOYSA-O,C6H9N3O2,155.15,155.0694765,,56.7,112,0,1,4,1,11,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ANILINE HYDROCHLORIDE,000142-04-1,8870,aniline;hydrochloride,C1=CC=C(C=C1)N.Cl,"InChI=1S/C6H7N.ClH/c7-6-4-2-1-3-5-6;/h1-5H,7H2;1H",MMCPOSDMTGQNKG-UHFFFAOYSA-N,C6H8ClN,129.59,129.034527,,26,46,0,2,1,0,8,"380 °F (NTP, 1992)","473 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,1,0,1,0,0,1,0,0,0,0,0,0,1,1,0
O-PHENYLENEDIAMINE DIHYDROCHLORIDE,000615-28-1,11990,"benzene-1,2-diamine;dihydrochloride",C1=CC=C(C(=C1)N)N.Cl.Cl,"InChI=1S/C6H8N2.2ClH/c7-5-3-1-2-4-6(5)8;;/h1-4H,7-8H2;2*1H",RIIWUGSYXOBDMC-UHFFFAOYSA-N,C6H10Cl2N2,181.06,180.0221037,,52,62,0,4,2,0,10,,,1,1,1,1,0,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0
"2,4-DIAMINOTOLUENE",000095-80-7,7261,"4-methylbenzene-1,3-diamine",CC1=C(C=C(C=C1)N)N,"InChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3",VOZKAJLKRJDJLL-UHFFFAOYSA-N,C7H10N2,122.17,122.0843983,0.1,52,92,0,2,2,0,9,"300 °F (NTP, 1992)","558 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,1,1,0,0,0,1,0,0,1,0,0,0,1,1,0
"1,4-BENZENEDIAMINE, 2-METHYL-",000095-70-5,7252,"2-methylbenzene-1,4-diamine",CC1=C(C=CC(=C1)N)N,"InChI=1S/C7H10N2/c1-5-4-6(8)2-3-7(5)9/h2-4H,8-9H2,1H3",OBCSAIDCZQSFQH-UHFFFAOYSA-N,C7H10N2,122.17,122.0843983,0.6,52,92,0,2,2,0,9,,273.5 °C,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,4-DICHLOROANILINE",000554-00-7,11123,"2,4-dichloroaniline",C1=CC(=C(C=C1Cl)Cl)N,"InChI=1S/C6H5Cl2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2",KQCMTOWTPBNWDB-UHFFFAOYSA-N,C6H5Cl2N,162.01,160.9799046,2.9,26,97,0,1,1,0,9,115 °C,"473 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Benzenediazosulfonic acid, p-(dimethylamino)-, sodium salt",000140-56-7,23668198,sodium N-[4-(dimethylamino)phenyl]iminosulfamate,CN(C)C1=CC=C(C=C1)N=NS(=O)(=O)[O-].[Na+],"InChI=1S/C8H11N3O3S.Na/c1-11(2)8-5-3-7(4-6-8)9-10-15(12,13)14;/h3-6H,1-2H3,(H,12,13,14);/q;+1/p-1",IWDQPCIQCXRBQP-UHFFFAOYSA-M,C8H10N3NaO3S,251.24,251.0340566,,93.5,318,0,0,6,3,16,,,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
N-ETHYLANILINE,000103-69-5,7670,N-ethylaniline,CCNC1=CC=CC=C1,"InChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3",OJGMBLNIHDZDGS-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,2.2,12,65,0,1,1,2,9,"185 °F (NTP, 1992)","400.5 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
TETRACHLOROHYDROQUINONE,000087-87-6,66603,"2,3,5,6-tetrachlorobenzene-1,4-diol",C1(=C(C(=C(C(=C1Cl)Cl)O)Cl)Cl)O,InChI=1S/C6H2Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H,STOSPPMGXZPHKP-UHFFFAOYSA-N,C6H2Cl4O2,247.9,247.87794,4.1,40.5,134,0,2,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
P-NITROFLUOROBENZENE,000350-46-9,9590,1-fluoro-4-nitrobenzene,C1=CC(=CC=C1[N+](=O)[O-])F,InChI=1S/C6H4FNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,WFQDTOYDVUWQMS-UHFFFAOYSA-N,C6H4FNO2,141.1,141.0226065,1.8,45.8,126,0,0,3,0,10,,206-207 °C,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0
"3,5-DINITROSALICYLIC ACID",000609-99-4,11873,"2-hydroxy-3,5-dinitrobenzoic acid",C1=C(C=C(C(=C1C(=O)O)O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C7H4N2O7/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16/h1-2,10H,(H,11,12)",LWFUFLREGJMOIZ-UHFFFAOYSA-N,C7H4N2O7,228.12,228.0018505,1.3,149,320,0,2,7,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HIPPURIC ACID,000495-69-2,464,2-benzamidoacetic acid,C1=CC=C(C=C1)C(=O)NCC(=O)O,"InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)",QIAFMBKCNZACKA-UHFFFAOYSA-N,C9H9NO3,179.17,179.0582431,0.3,66.4,197,0,2,3,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CHLORAMINE T TRIHYDRATE,007080-50-4,517414,sodium;chloro-(4-methylphenyl)sulfonylazanide;trihydrate,CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl.O.O.O.[Na+],"InChI=1S/C7H7ClNO2S.Na.3H2O/c1-6-2-4-7(5-3-6)12(10,11)9-8;;;;/h2-5H,1H3;;3*1H2/q-1;+1;;;",NZYOAGBNMCVQIV-UHFFFAOYSA-N,C7H13ClNNaO5S,281.69,281.0100657,,46.5,231,0,3,6,1,16,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,1,0,1,0,0,0
O-SEC-BUTYLPHENOL,000089-72-5,6984,2-butan-2-ylphenol,CCC(C)C1=CC=CC=C1O,"InChI=1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3",NGFPWHGISWUQOI-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,3.4,20.2,111,0,1,1,2,11,"234 °F (NTP, 1992)","439 to 442 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
PHENACETIN,000062-44-2,4754,N-(4-ethoxyphenyl)acetamide,CCOC1=CC=C(C=C1)NC(=O)C,"InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)",CPJSUEIXXCENMM-UHFFFAOYSA-N,C10H13NO2,179.22,179.0946287,1.6,38.3,162,0,1,2,3,13,,"Decomposes (NTP, 1992)",0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"M-XYLENE-A,A'-DIAMINE",001477-55-0,15133,[3-(aminomethyl)phenyl]methanamine,C1=CC(=CC(=C1)CN)CN,"InChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2",FDLQZKYLHJJBHD-UHFFFAOYSA-N,C8H12N2,136.19,136.1000484,-0.3,52,83,0,2,2,2,10,"243 °F (NIOSH, 2024)","477 °F at 760 mmHg (NIOSH, 2024)",0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
ANISYL ALCOHOL,000105-13-5,7738,(4-methoxyphenyl)methanol,COC1=CC=C(C=C1)CO,"InChI=1S/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3",MSHFRERJPWKJFX-UHFFFAOYSA-N,C8H10O2,138.16,138.0680796,1.1,29.5,85,0,1,2,2,10,,259.00 to 260.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
CHLORAMINE B,000127-52-6,4347343,sodium benzenesulfonyl(chloro)azanide,C1=CC=C(C=C1)S(=O)(=O)[N-]Cl.[Na+],"InChI=1S/C6H5ClNO2S.Na/c7-8-11(9,10)6-4-2-1-3-5-6;/h1-5H;/q-1;+1",KDNCILYKSYKEFJ-UHFFFAOYSA-N,C6H5ClNNaO2S,213.62,212.9627216,,43.5,208,0,0,3,1,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0
M-NITROPHENOL,000554-84-7,11137,3-nitrophenol,C1=CC(=CC(=C1)O)[N+](=O)[O-],"InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H",RTZZCYNQPHTPPL-UHFFFAOYSA-N,C6H5NO3,139.11,139.026943,2,66.1,131,0,1,3,0,10,,"381 °F at 70 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,0
MANDELIC ACID,000090-64-2,1292,2-hydroxy-2-phenylacetic acid,C1=CC=C(C=C1)C(C(=O)O)O,"InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)",IWYDHOAUDWTVEP-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,0.6,57.5,138,0,2,3,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
O-VANILLIN,000148-53-8,8991,2-hydroxy-3-methoxybenzaldehyde,COC1=CC=CC(=C1O)C=O,"InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-5,10H,1H3",JJVNINGBHGBWJH-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,1.4,46.5,135,0,1,3,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
P-BROMOBENZOIC ACID,000586-76-5,11464,4-bromobenzoic acid,C1=CC(=CC=C1C(=O)O)Br,"InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)",TUXYZHVUPGXXQG-UHFFFAOYSA-N,C7H5BrO2,201.02,199.94729,2.9,37.3,128,0,1,2,1,10,,,1,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-CHLOROBENZONITRILE,000623-03-0,12163,4-chlorobenzonitrile,C1=CC(=CC=C1C#N)Cl,InChI=1S/C7H4ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H,GJNGXPDXRVXSEH-UHFFFAOYSA-N,C7H4ClN,137.56,137.0032268,2.6,23.8,127,0,0,1,0,9,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
P-CHLOROBENZENESULFONIC ACID,000098-66-8,7400,4-chlorobenzenesulfonic acid,C1=CC(=CC=C1S(=O)(=O)O)Cl,"InChI=1S/C6H5ClO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)",RJWBTWIBUIGANW-UHFFFAOYSA-N,C6H5ClO3S,192.62,191.9647929,0.6,62.8,210,0,1,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
RESORCINOL MONOACETATE,000102-29-4,5055,(3-hydroxyphenyl) acetate,CC(=O)OC1=CC=CC(=C1)O,"InChI=1S/C8H8O3/c1-6(9)11-8-4-2-3-7(10)5-8/h2-5,10H,1H3",ZZPKZRHERLGEKA-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,1.3,46.5,144,0,1,3,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"3,4-DIMETHOXYBENZYL ALCOHOL",000093-03-8,7118,"(3,4-dimethoxyphenyl)methanol",COC1=C(C=C(C=C1)CO)OC,"InChI=1S/C9H12O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5,10H,6H2,1-2H3",OEGPRYNGFWGMMV-UHFFFAOYSA-N,C9H12O3,168.19,168.0786442,0.6,38.7,127,0,1,3,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
4-ISOPROPYLPHENOL,000099-89-8,7465,4-propan-2-ylphenol,CC(C)C1=CC=C(C=C1)O,"InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3",YQUQWHNMBPIWGK-UHFFFAOYSA-N,C9H12O,136.19,136.088815,2.9,20.2,90,0,1,1,1,10,,222.00 to 223.00 °C. @ 760.00 mm Hg,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
M-TOLUIC ACID,000099-04-7,7418,3-methylbenzoic acid,CC1=CC(=CC=C1)C(=O)O,"InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)",GPSDUZXPYCFOSQ-UHFFFAOYSA-N,C8H8O2,136.15,136.0524295,2.4,37.3,131,0,1,2,1,10,,"504 °F at 760 mmHg (sublimes) (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
DODECYL P-TOLUENESULFONATE,010157-76-3,82417,dodecyl 4-methylbenzenesulfonate,CCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C,"InChI=1S/C19H32O3S/c1-3-4-5-6-7-8-9-10-11-12-17-22-23(20,21)19-15-13-18(2)14-16-19/h13-16H,3-12,17H2,1-2H3",QHKNLARMWXIVSM-UHFFFAOYSA-N,C19H32O3S,340.5,340.2072161,7,51.8,365,0,0,3,13,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
LINURON,000330-55-2,9502,"3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea",CN(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC,"InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)",XKJMBINCVNINCA-UHFFFAOYSA-N,C9H10Cl2N2O2,249.09,248.011933,3.2,41.6,228,0,1,2,2,15,,,1,0,0,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
1-FLUORO-2-IODOBENZENE,000348-52-7,67673,1-fluoro-2-iodobenzene,C1=CC=C(C(=C1)F)I,InChI=1S/C6H4FI/c7-5-3-1-2-4-6(5)8/h1-4H,TYHUGKGZNOULKD-UHFFFAOYSA-N,C6H4FI,222,221.93418,3.1,0,74,0,0,1,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(4-AMINOPHENYL)ETHYLAMINE,013472-00-9,72895,4-(2-aminoethyl)aniline,C1=CC(=CC=C1CCN)N,"InChI=1S/C8H12N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6,9-10H2",LNPMZQXEPNWCMG-UHFFFAOYSA-N,C8H12N2,136.19,136.1000484,-0.2,52,85,0,2,2,2,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,3,5,6-TETRAFLUOROPHENOL",000769-39-1,69858,"2,3,5,6-tetrafluorophenol",C1=C(C(=C(C(=C1F)F)O)F)F,"InChI=1S/C6H2F4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H",PBYIIRLNRCVTMQ-UHFFFAOYSA-N,C6H2F4O,166.07,166.0041773,2.1,20.2,129,0,1,5,0,11,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PENTAFLUOROPHENOL,000771-61-9,13041,"2,3,4,5,6-pentafluorophenol",C1(=C(C(=C(C(=C1F)F)F)F)F)O,InChI=1S/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H,XBNGYFFABRKICK-UHFFFAOYSA-N,C6HF5O,184.06,183.9947555,3.2,20.2,150,0,1,6,0,12,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BUTACHLOR,023184-66-9,31677,"N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide",CCCCOCN(C1=C(C=CC=C1CC)CC)C(=O)CCl,"InChI=1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3",HKPHPIREJKHECO-UHFFFAOYSA-N,C17H26ClNO2,311.8,311.1652068,4.5,29.5,287,0,0,2,9,21,114 °C (open cup); 93 °C (closed cup),156 °C at 0.5 mm Hg,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,3,4-TRICHLOROPHENOL",015950-66-0,27582,"2,3,4-trichlorophenol",C1=CC(=C(C(=C1O)Cl)Cl)Cl,"InChI=1S/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H",HSQFVBWFPBKHEB-UHFFFAOYSA-N,C6H3Cl3O,197.4,195.924948,3.5,20.2,120,0,1,1,0,10,62 °C,"485 °F at 760 mmHg (USCG, 1999)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYLHYDROQUINONE,000095-71-6,7253,"2-methylbenzene-1,4-diol",CC1=C(C=CC(=C1)O)O,"InChI=1S/C7H8O2/c1-5-4-6(8)2-3-7(5)9/h2-4,8-9H,1H3",CNHDIAIOKMXOLK-UHFFFAOYSA-N,C7H8O2,124.14,124.0524295,1,40.5,92,0,2,2,0,9,,,1,0,0,1,0,1,1,1,0,0,1,0,0,0,0,0,1,1,0,1
M-THIOCRESOL,000108-40-7,7930,3-methylbenzenethiol,CC1=CC(=CC=C1)S,"InChI=1S/C7H8S/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3",WRXOZRLZDJAYDR-UHFFFAOYSA-N,C7H8S,124.21,124.0346714,2.8,1,70,0,1,1,0,8,73 °C,195 °C,1,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-ISOPROPYLPHENOL,000088-69-7,6943,2-propan-2-ylphenol,CC(C)C1=CC=CC=C1O,"InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3",CRBJBYGJVIBWIY-UHFFFAOYSA-N,C9H12O,136.19,136.088815,2.9,20.2,98,0,1,1,1,10,"220 °F (USCG, 1999)","417.2 °F at 760 mmHg (USCG, 1999)",0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PHENYLPHOSPHONIC ACID,001571-33-1,15295,phenylphosphonic acid,C1=CC=C(C=C1)P(=O)(O)O,"InChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)",QLZHNIAADXEJJP-UHFFFAOYSA-N,C6H7O3P,158.09,158.0132811,0.5,57.5,145,0,2,3,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-CHLORO-5-METHYLPHENOL,000615-74-7,12008,2-chloro-5-methylphenol,CC1=CC(=C(C=C1)Cl)O,"InChI=1S/C7H7ClO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3",SMFHPCZZAAMJJO-UHFFFAOYSA-N,C7H7ClO,142.58,142.0185425,2.4,20.2,94,0,1,1,0,9,,196 °C,1,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
SODIUM DODECYLBENZENESULPHONATE,025155-30-0,23662403,sodium 2-dodecylbenzenesulfonate,CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Na+],"InChI=1S/C18H30O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;+1/p-1",HFQQZARZPUDIFP-UHFFFAOYSA-M,C18H29NaO3S,348.5,348.1735102,,65.6,365,0,0,3,12,23,"greater than 200 °F (NTP, 1992)","Foams as water boils. 212 °F (USCG, 1999)",0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
4-AMINOPHENYLPHOSPHONIC ACID,005337-17-7,53590,(4-aminophenyl)phosphonic acid,C1=CC(=CC=C1N)P(=O)(O)O,"InChI=1S/C6H8NO3P/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)",OAOBMEMWHJWPNA-UHFFFAOYSA-N,C6H8NO3P,173.11,173.0241801,-0.1,83.6,171,0,3,4,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"N,N-BIS(2-METHYLPROPYL)-2-(OCTYLPHENYLPHOSPHENYL)ACETAMIDE",083242-95-9,158335,"N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide",CCCCCCCCP(=O)(CC(=O)N(CC(C)C)CC(C)C)C1=CC=CC=C1,"InChI=1S/C24H42NO2P/c1-6-7-8-9-10-14-17-28(27,23-15-12-11-13-16-23)20-24(26)25(18-21(2)3)19-22(4)5/h11-13,15-16,21-22H,6-10,14,17-20H2,1-5H3",SGZRFMMIONYDQU-UHFFFAOYSA-N,C24H42NO2P,407.6,407.2953166,6.5,37.4,459,0,0,2,14,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMOBENZALDEHYDE,001122-91-4,70741,4-bromobenzaldehyde,C1=CC(=CC=C1C=O)Br,InChI=1S/C7H5BrO/c8-7-3-1-6(5-9)2-4-7/h1-5H,ZRYZBQLXDKPBDU-UHFFFAOYSA-N,C7H5BrO,185.02,183.95238,2.2,17.1,95,0,0,1,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
2-IODOBENZOIC ACID,000088-67-5,6941,2-iodobenzoic acid,C1=CC=C(C(=C1)C(=O)O)I,"InChI=1S/C7H5IO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)",CJNZAXGUTKBIHP-UHFFFAOYSA-N,C7H5IO2,248.02,247.93343,2.4,37.3,136,0,1,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4'-BROMOACETOPHENONE,000099-90-1,7466,1-(4-bromophenyl)ethanone,CC(=O)C1=CC=C(C=C1)Br,"InChI=1S/C8H7BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3",WYECURVXVYPVAT-UHFFFAOYSA-N,C8H7BrO,199.04,197.96803,2.4,17.1,125,0,0,1,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
BENZENESULFONYL ISOCYANATE,002845-62-7,76096,N-(oxomethylidene)benzenesulfonamide,C1=CC=C(C=C1)S(=O)(=O)N=C=O,"InChI=1S/C7H5NO3S/c9-6-8-12(10,11)7-4-2-1-3-5-7/h1-5H",UJYAZVSPFMJCLW-UHFFFAOYSA-N,C7H5NO3S,183.19,182.9990142,2.3,72,278,0,0,4,2,12,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
4-AMINO-2-NITROPHENOL,000119-34-6,3417419,4-amino-2-nitrophenol,C1=CC(=C(C=C1N)[N+](=O)[O-])O,"InChI=1S/C6H6N2O3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H,7H2",WHODQVWERNSQEO-UHFFFAOYSA-N,C6H6N2O3,154.12,154.0378421,1,92.1,156,0,2,4,0,11,,110 °C at 12 mm Hg,0,0,0,1,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
2-METHYL-3-NITROPHENOL,005460-31-1,79579,2-methyl-3-nitrophenol,CC1=C(C=CC=C1O)[N+](=O)[O-],"InChI=1S/C7H7NO3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,9H,1H3",GAKLFAZBKQGUBO-UHFFFAOYSA-N,C7H7NO3,153.14,153.0425931,2.1,66.1,154,0,1,3,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-NITRO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE",000098-46-4,7386,1-nitro-3-(trifluoromethyl)benzene,C1=CC(=CC(=C1)[N+](=O)[O-])C(F)(F)F,"InChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-3-6(4-5)11(12)13/h1-4H",WHNAMGUAXHGCHH-UHFFFAOYSA-N,C7H4F3NO2,191.11,191.0194129,2.6,45.8,199,0,0,5,0,13,"214 °F (NTP, 1992)","397 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-NITRO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE",000402-54-0,9821,1-nitro-4-(trifluoromethyl)benzene,C1=CC(=CC=C1C(F)(F)F)[N+](=O)[O-],"InChI=1S/C7H4F3NO2/c8-7(9,10)5-1-3-6(4-2-5)11(12)13/h1-4H",XKYLCLMYQDFGKO-UHFFFAOYSA-N,C7H4F3NO2,191.11,191.0194129,2.5,45.8,191,0,0,5,0,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-METHOXYPHENYL ISOCYANATE,000700-87-8,69695,1-isocyanato-2-methoxybenzene,COC1=CC=CC=C1N=C=O,"InChI=1S/C8H7NO2/c1-11-8-5-3-2-4-7(8)9-6-10/h2-5H,1H3",SUVCZZADQDCIEQ-UHFFFAOYSA-N,C8H7NO2,149.15,149.0476785,2.7,38.7,163,0,0,3,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
PARA-TOLYL ISOCYANATE,000622-58-2,69325,1-isocyanato-4-methylbenzene,CC1=CC=C(C=C1)N=C=O,"InChI=1S/C8H7NO/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3",MGYGFNQQGAQEON-UHFFFAOYSA-N,C8H7NO,133.15,133.0527638,3.3,29.4,141,0,0,2,1,10,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,1,0,1,1,0,1
4-TERT-BUTYLANILINE,000769-92-6,69861,4-tert-butylaniline,CC(C)(C)C1=CC=C(C=C1)N,"InChI=1S/C10H15N/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,11H2,1-3H3",WRDWWAVNELMWAM-UHFFFAOYSA-N,C10H15N,149.23,149.1204495,2.7,26,115,0,1,1,1,11,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DIAMINOANISOLE",000615-05-4,11976,"4-methoxybenzene-1,3-diamine",COC1=C(C=C(C=C1)N)N,"InChI=1S/C7H10N2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,8-9H2,1H3",BAHPQISAXRFLCL-UHFFFAOYSA-N,C7H10N2O,138.17,138.0793129,0.5,61.3,108,0,2,3,1,10,,,0,0,0,1,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0
2-ETHYLPHENYL ISOCYANATE,040411-25-4,583486,1-ethyl-2-isocyanatobenzene,CCC1=CC=CC=C1N=C=O,"InChI=1S/C9H9NO/c1-2-8-5-3-4-6-9(8)10-7-11/h3-6H,2H2,1H3",ZVFNUQWYLXXSJM-UHFFFAOYSA-N,C9H9NO,147.17,147.0684139,3.5,29.4,161,0,0,2,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
5-SULFOSALICYLIC ACID DIHYDRATE,005965-83-3,2723734,2-hydroxy-5-sulfobenzoic acid;dihydrate,C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O.O.O,"InChI=1S/C7H6O6S.2H2O/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;;/h1-3,8H,(H,9,10)(H,11,12,13);2*1H2",BHDKTFQBRFWJKR-UHFFFAOYSA-N,C7H10O8S,254.22,254.0096385,,122,316,0,5,8,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-AMINOBENZYLAMINE,004403-70-7,4628831,3-(aminomethyl)aniline,C1=CC(=CC(=C1)N)CN,"InChI=1S/C7H10N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5,8-9H2",ZDBWYUOUYNQZBM-UHFFFAOYSA-N,C7H10N2,122.17,122.0843983,-0.3,52,83,0,2,2,1,9,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
N-BUTYLANILINE,001126-78-9,14310,N-butylaniline,CCCCNC1=CC=CC=C1,"InChI=1S/C10H15N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3",VSHTWPWTCXQLQN-UHFFFAOYSA-N,C10H15N,149.23,149.1204495,2.8,12,84,0,1,1,4,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
METHYL BENZENESULFONATE,000080-18-2,6630,methyl benzenesulfonate,COS(=O)(=O)C1=CC=CC=C1,"InChI=1S/C7H8O3S/c1-10-11(8,9)7-5-3-2-4-6-7/h2-6H,1H3",CZXGXYBOQYQXQD-UHFFFAOYSA-N,C7H8O3S,172.2,172.0194153,1.2,51.8,196,0,0,3,2,11,,,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,1,1,0,0
O-TOLYL ISOCYANATE,000614-68-6,69194,1-isocyanato-2-methylbenzene,CC1=CC=CC=C1N=C=O,"InChI=1S/C8H7NO/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3",VAYMIYBJLRRIFR-UHFFFAOYSA-N,C8H7NO,133.15,133.0527638,3.1,29.4,149,0,0,2,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
4-NITROBENZYL CHLORIDE,000100-14-1,7482,1-(chloromethyl)-4-nitrobenzene,C1=CC(=CC=C1CCl)[N+](=O)[O-],"InChI=1S/C7H6ClNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2",KGCNHWXDPDPSBV-UHFFFAOYSA-N,C7H6ClNO2,171.58,171.0087061,2.5,45.8,138,0,0,2,1,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"L-3,4-DIHYDROXYPHENYLALANINE",000059-92-7,6047,"(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid",C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O,"InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1",WTDRDQBEARUVNC-LURJTMIESA-N,C9H11NO4,197.19,197.0688078,-2.7,104,209,0,4,5,3,14,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,1
TRIETHYLPHENYLAMMONIUM IODIDE,001010-19-1,70524,triethyl(phenyl)azanium iodide,CC[N+](CC)(CC)C1=CC=CC=C1.[I-],"InChI=1S/C12H20N.HI/c1-4-13(5-2,6-3)12-10-8-7-9-11-12;/h7-11H,4-6H2,1-3H3;1H/q+1;/p-1",WMSWXWGJYOIACA-UHFFFAOYSA-M,C12H20IN,305.2,305.06405,,0,124,0,0,1,4,14,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NONYLPHENOL,025154-52-3,67296,2-nonylphenol,CCCCCCCCCC1=CC=CC=C1O,"InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16/h9-10,12-13,16H,2-8,11H2,1H3",SNQQPOLDUKLAAF-UHFFFAOYSA-N,C15H24O,220.35,220.1827154,6.2,20.2,156,0,1,1,8,16,"285 °F (USCG, 1999)","579 °F at 760 mmHg (USCG, 1999)",1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0
4-IODOPHENOL,000540-38-5,10894,4-iodophenol,C1=CC(=CC=C1O)I,"InChI=1S/C6H5IO/c7-5-1-3-6(8)4-2-5/h1-4,8H",VSMDINRNYYEDRN-UHFFFAOYSA-N,C6H5IO,220.01,219.93851,2.9,20.2,66,0,1,1,0,8,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
3-FLUOROCATECHOL,000363-52-0,67764,"3-fluorobenzene-1,2-diol",C1=CC(=C(C(=C1)F)O)O,"InChI=1S/C6H5FO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H",DXOSJQLIRGXWCF-UHFFFAOYSA-N,C6H5FO2,128.1,128.0273576,1.6,40.5,97,0,2,3,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
4-(DIETHYLAMINO)BENZALDEHYDE,000120-21-8,67114,4-(diethylamino)benzaldehyde,CCN(CC)C1=CC=C(C=C1)C=O,"InChI=1S/C11H15NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5-9H,3-4H2,1-2H3",MNFZZNNFORDXSV-UHFFFAOYSA-N,C11H15NO,177.24,177.1153641,2.5,20.3,146,0,0,2,4,13,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
4-CHLORORESORCINOL,000095-88-5,1731,"4-chlorobenzene-1,3-diol",C1=CC(=C(C=C1O)O)Cl,"InChI=1S/C6H5ClO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H",JQVAPEJNIZULEK-UHFFFAOYSA-N,C6H5ClO2,144.55,143.9978071,2.1,40.5,97,0,2,2,0,9,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
2-HYDROXY-5-NITROBENZALDEHYDE,000097-51-8,66808,2-hydroxy-5-nitrobenzaldehyde,C1=CC(=C(C=C1[N+](=O)[O-])C=O)O,"InChI=1S/C7H5NO4/c9-4-5-3-6(8(11)12)1-2-7(5)10/h1-4,10H",IHFRMUGEILMHNU-UHFFFAOYSA-N,C7H5NO4,167.12,167.0218576,2,83.1,188,0,1,4,1,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
4-FLUOROBENZOIC ACID,000456-22-4,9973,4-fluorobenzoic acid,C1=CC(=CC=C1C(=O)O)F,"InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)",BBYDXOIZLAWGSL-UHFFFAOYSA-N,C7H5FO2,140.11,140.0273576,2.1,37.3,128,0,1,3,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(S)-(-)-ALPHA-METHYLBENZYL ALCOHOL,001445-91-6,443135,(1S)-1-phenylethanol,C[C@@H](C1=CC=CC=C1)O,"InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1",WAPNOHKVXSQRPX-ZETCQYMHSA-N,C8H10O,122.16,122.0731649,1.4,20.2,74,0,1,1,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHOXY-ALPHA-TOLUENETHIOL,006258-60-2,80407,(4-methoxyphenyl)methanethiol,COC1=CC=C(C=C1)CS,"InChI=1S/C8H10OS/c1-9-8-4-2-7(6-10)3-5-8/h2-5,10H,6H2,1H3",PTDVPWWJRCOIIO-UHFFFAOYSA-N,C8H10OS,154.23,154.0452361,2.1,10.2,87,0,1,2,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
4-NITROBENZENEDIAZONIUM TETRAFLUOROBORATE,000456-27-9,68006,4-nitrobenzenediazonium tetrafluoroborate,[B-](F)(F)(F)F.C1=CC(=CC=C1[N+]#N)[N+](=O)[O-],"InChI=1S/C6H4N3O2.BF4/c7-8-5-1-3-6(4-2-5)9(10)11;2-1(3,4)5/h1-4H;/q+1;-1",AFULQCYCQAHYIP-UHFFFAOYSA-N,C6H4BF4N3O2,236.92,237.0332692,,74,213,0,0,8,0,16,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
4-AMINOTHIOPHENOL,001193-02-8,14510,4-aminobenzenethiol,C1=CC(=CC=C1N)S,"InChI=1S/C6H7NS/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2",WCDSVWRUXWCYFN-UHFFFAOYSA-N,C6H7NS,125.19,125.0299204,1.3,27,66,0,2,2,0,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
3-AMINOBENZOTRIFLUORIDE,000098-16-8,7375,3-(trifluoromethyl)aniline,C1=CC(=CC(=C1)N)C(F)(F)F,"InChI=1S/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2",VIUDTWATMPPKEL-UHFFFAOYSA-N,C7H6F3N,161.12,161.0452337,2.3,26,132,0,1,4,0,11,"185 °F (NTP, 1992)","369.5 °F at 764 mmHg (EPA, 1998)",0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
4-VINYLANILINE,001520-21-4,73700,4-ethenylaniline,C=CC1=CC=C(C=C1)N,"InChI=1S/C8H9N/c1-2-7-3-5-8(9)6-4-7/h2-6H,1,9H2",LBSXSAXOLABXMF-UHFFFAOYSA-N,C8H9N,119.16,119.0734993,1.8,26,90,0,1,1,1,9,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,1,0,1,0,1,1
4-(CHLOROMETHYL)PHENYL ACETATE,039720-27-9,148312,[4-(chloromethyl)phenyl] acetate,CC(=O)OC1=CC=C(C=C1)CCl,"InChI=1S/C9H9ClO2/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-5H,6H2,1H3",OKRCXSCDWKJWSW-UHFFFAOYSA-N,C9H9ClO2,184.62,184.0291072,2.1,26.3,151,0,0,2,3,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
2-METHYLBENZYL ALCOHOL,000089-95-2,6994,(2-methylphenyl)methanol,CC1=CC=CC=C1CO,"InChI=1S/C8H10O/c1-7-4-2-3-5-8(7)6-9/h2-5,9H,6H2,1H3",XPNGNIFUDRPBFJ-UHFFFAOYSA-N,C8H10O,122.16,122.0731649,1.6,20.2,80,0,1,1,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
2-FLUOROBENZONITRILE,000394-47-8,67855,2-fluorobenzonitrile,C1=CC=C(C(=C1)C#N)F,InChI=1S/C7H4FN/c8-7-4-2-1-3-6(7)5-9/h1-4H,GDHXJNRAJRCGMX-UHFFFAOYSA-N,C7H4FN,121.11,121.0327773,1.5,23.8,135,0,0,2,0,9,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZYL-ALPHA,ALPHA-D2 ALCOHOL",021175-64-4,12203065,dideuterio(phenyl)methanol,[2H]C([2H])(C1=CC=CC=C1)O,"InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2/i6D2",WVDDGKGOMKODPV-NCYHJHSESA-N,C7H8O,110.15,110.0700684,1.1,20.2,55,0,1,1,1,8,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"TOLUENE-3,4-DITHIOL",000496-74-2,10334,"4-methylbenzene-1,2-dithiol",CC1=CC(=C(C=C1)S)S,"InChI=1S/C7H8S2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3",NIAAGQAEVGMHPM-UHFFFAOYSA-N,C7H8S2,156.3,156.0067426,2.6,2,92,0,2,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-DICHLOROPHENOL",000095-77-2,7258,"3,4-dichlorophenol",C1=CC(=C(C=C1O)Cl)Cl,"InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H",WDNBURPWRNALGP-UHFFFAOYSA-N,C6H4Cl2O,163,161.9639201,3.3,20.2,97,0,1,1,0,9,,"488.3 °F at 767 mmHg (NTP, 1992)",0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
P-ANISIDINE HYDROCHLORIDE,020265-97-8,2734956,4-methoxyaniline;hydrochloride,COC1=CC=C(C=C1)N.Cl,"InChI=1S/C7H9NO.ClH/c1-9-7-4-2-6(8)3-5-7;/h2-5H,8H2,1H3;1H",VQYJLACQFYZHCO-UHFFFAOYSA-N,C7H10ClNO,159.61,159.0450916,,35.3,77,0,2,2,1,10,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
DI-SEC-BUTYPHENOL,005510-99-6,21685,"2,6-di(butan-2-yl)phenol",CCC(C)C1=C(C(=CC=C1)C(C)CC)O,"InChI=1S/C14H22O/c1-5-10(3)12-8-7-9-13(14(12)15)11(4)6-2/h7-11,15H,5-6H2,1-4H3",FHTGJZOULSYEOB-UHFFFAOYSA-N,C14H22O,206.32,206.1670653,4.4,20.2,160,0,1,1,4,15,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
4-CHLOROTHIOPHENOL,000106-54-7,7815,4-chlorobenzenethiol,C1=CC(=CC=C1S)Cl,"InChI=1S/C6H5ClS/c7-5-1-3-6(8)4-2-5/h1-4,8H",VZXOZSQDJJNBRC-UHFFFAOYSA-N,C6H5ClS,144.62,143.980049,3,1,66,0,1,1,0,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
2-(TRIFLUOROMETHYL)BENZYLAMINE,003048-01-9,76447,[2-(trifluoromethyl)phenyl]methanamine,C1=CC=C(C(=C1)CN)C(F)(F)F,"InChI=1S/C8H8F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H,5,12H2",ZSKQIFWUTUZAGF-UHFFFAOYSA-N,C8H8F3N,175.15,175.0608838,1.7,26,144,0,1,4,1,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
3-(TRIFLUOROMETHYL)BENZYLAMINE,002740-83-2,75962,[3-(trifluoromethyl)phenyl]methanamine,C1=CC(=CC(=C1)C(F)(F)F)CN,"InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H,5,12H2",YKNZTUQUXUXTLE-UHFFFAOYSA-N,C8H8F3N,175.15,175.0608838,2,26,144,0,1,4,1,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
METHYL 2-ISOTHIOCYANATOBENZOATE,016024-82-1,85243,methyl 2-isothiocyanatobenzoate,COC(=O)C1=CC=CC=C1N=C=S,"InChI=1S/C9H7NO2S/c1-12-9(11)7-4-2-3-5-8(7)10-6-13/h2-5H,1H3",UNXVHBOJSCWVCD-UHFFFAOYSA-N,C9H7NO2S,193.22,193.0197496,3.2,70.8,236,0,0,4,3,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
BENZOIC-CARBOXY-13C ACID,003880-99-7,19759,(13C)benzoic acid,C1=CC=C(C=C1)[13C](=O)O,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i7+1",WPYMKLBDIGXBTP-CDYZYAPPSA-N,C7H6O2,123.11,123.0401343,1.9,37.3,103,0,1,2,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
2-METHYL-5-NITROPHENOL,005428-54-6,93576,2-methyl-5-nitrophenol,CC1=C(C=C(C=C1)[N+](=O)[O-])O,"InChI=1S/C7H7NO3/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,9H,1H3",UMFDLIXUUJMPSI-UHFFFAOYSA-N,C7H7NO3,153.14,153.0425931,1.8,66.1,154,0,1,3,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-N-BUTYLPHENYL ISOCYANATE,069342-47-8,2796313,1-butyl-4-isocyanatobenzene,CCCCC1=CC=C(C=C1)N=C=O,"InChI=1S/C11H13NO/c1-2-3-4-10-5-7-11(8-6-10)12-9-13/h5-8H,2-4H2,1H3",LJJRXPXDTAUVQU-UHFFFAOYSA-N,C11H13NO,175.23,175.099714,4.5,29.4,177,0,0,2,4,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"1,2,4-BENZENETRIOL",000533-73-3,10787,"benzene-1,2,4-triol",C1=CC(=C(C=C1O)O)O,"InChI=1S/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H",GGNQRNBDZQJCCN-UHFFFAOYSA-N,C6H6O3,126.11,126.031694,1.5,60.7,94,0,3,3,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-ACETYLPHENYL ISOCYANATE,049647-20-3,99452,1-(4-isocyanatophenyl)ethanone,CC(=O)C1=CC=C(C=C1)N=C=O,"InChI=1S/C9H7NO2/c1-7(12)8-2-4-9(5-3-8)10-6-11/h2-5H,1H3",MOZSVHZOUDIZMF-UHFFFAOYSA-N,C9H7NO2,161.16,161.0476785,2.4,46.5,211,0,0,3,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
3-CYANOPHENYL ISOCYANATE,016413-26-6,2733315,3-isocyanatobenzonitrile,C1=CC(=CC(=C1)N=C=O)C#N,InChI=1S/C8H4N2O/c9-5-7-2-1-3-8(4-7)10-6-11/h1-4H,NZHPVPMRNASEQK-UHFFFAOYSA-N,C8H4N2O,144.13,144.0323628,2.5,53.2,221,0,0,3,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
3-AMINOBENZONITRILE,002237-30-1,16702,3-aminobenzonitrile,C1=CC(=CC(=C1)N)C#N,"InChI=1S/C7H6N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,9H2",NJXPYZHXZZCTNI-UHFFFAOYSA-N,C7H6N2,118.14,118.0530982,1.1,49.8,133,0,1,2,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"ALPHA,ALPHA'-DICHLORO-P-XYLENE",000623-25-6,12171,"1,4-bis(chloromethyl)benzene",C1=CC(=CC=C1CCl)CCl,"InChI=1S/C8H8Cl2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6H2",ZZHIDJWUJRKHGX-UHFFFAOYSA-N,C8H8Cl2,175.05,174.0003056,2.7,0,73,0,0,0,2,10,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"N,N-DIMETHYL-3-(TRIFLUOROMETHYL)BENZAMIDE",090238-10-1,688295,"N,N-dimethyl-3-(trifluoromethyl)benzamide",CN(C)C(=O)C1=CC(=CC=C1)C(F)(F)F,"InChI=1S/C10H10F3NO/c1-14(2)9(15)7-4-3-5-8(6-7)10(11,12)13/h3-6H,1-2H3",AVCRBLADHKZIJP-UHFFFAOYSA-N,C10H10F3NO,217.19,217.0714484,2.9,20.3,237,0,0,4,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
N-BENZYLETHYLENEDIAMINE,004152-09-4,77801,"N'-benzylethane-1,2-diamine",C1=CC=C(C=C1)CNCCN,"InChI=1S/C9H14N2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,11H,6-8,10H2",ACYBVNYNIZTUIL-UHFFFAOYSA-N,C9H14N2,150.22,150.1156985,0.5,38.1,87,0,2,2,4,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
2-AMINOBENZAMIDE,000088-68-6,6942,2-aminobenzamide,C1=CC=C(C(=C1)C(=O)N)N,"InChI=1S/C7H8N2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H2,9,10)",PXBFMLJZNCDSMP-UHFFFAOYSA-N,C7H8N2O,136.15,136.0636629,0.4,69.1,136,0,2,2,1,10,,300 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
2-ETHOXYPHENOL,000094-71-3,66755,2-ethoxyphenol,CCOC1=CC=CC=C1O,"InChI=1S/C8H10O2/c1-2-10-8-6-4-3-5-7(8)9/h3-6,9H,2H2,1H3",MOEFFSWKSMRFRQ-UHFFFAOYSA-N,C8H10O2,138.16,138.0680796,1.7,29.5,93,0,1,2,2,10,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
4-NITROPHENYL ISOCYANATE,000100-28-7,66012,1-isocyanato-4-nitrobenzene,C1=CC(=CC=C1N=C=O)[N+](=O)[O-],InChI=1S/C7H4N2O3/c10-5-8-6-1-3-7(4-2-6)9(11)12/h1-4H,GFNKTLQTQSALEJ-UHFFFAOYSA-N,C7H4N2O3,164.12,164.022192,3,75.3,209,0,0,4,1,12,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
4-DODECYLBENZENESULFONIC ACID,000121-65-3,8485,4-dodecylbenzenesulfonic acid,CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,C18H30O3S,326.5,326.191566,7,62.8,351,0,1,3,12,22,148.9 °C o.c.,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
O-TOLUENETHIOL,000137-06-4,8712,2-methylbenzenethiol,CC1=CC=CC=C1S,"InChI=1S/C7H8S/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3",LXUNZSDDXMPKLP-UHFFFAOYSA-N,C7H8S,124.21,124.0346714,2.9,1,70,0,1,1,0,8,64 °C,195 °C,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
4-FLUOROBENZENESULFONYL CHLORIDE,000349-88-2,9588,4-fluorobenzenesulfonyl chloride,C1=CC(=CC=C1F)S(=O)(=O)Cl,"InChI=1S/C6H4ClFO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H",BFXHJFKKRGVUMU-UHFFFAOYSA-N,C6H4ClFO2S,194.61,193.9604564,2,42.5,213,0,0,3,1,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
3-BROMOANILINE,000591-19-5,11562,3-bromoaniline,C1=CC(=CC(=C1)Br)N,"InChI=1S/C6H6BrN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2",DHYHYLGCQVVLOQ-UHFFFAOYSA-N,C6H6BrN,172.02,170.96836,2.1,26,74,0,1,1,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
2-BROMOANILINE,000615-36-1,11992,2-bromoaniline,C1=CC=C(C(=C1)N)Br,"InChI=1S/C6H6BrN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2",AOPBDRUWRLBSDB-UHFFFAOYSA-N,C6H6BrN,172.02,170.96836,2.1,26,74,0,1,1,0,8,,,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
PHENOXYACETONE,000621-87-4,69313,1-phenoxypropan-2-one,CC(=O)COC1=CC=CC=C1,"InChI=1S/C9H10O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6H,7H2,1H3",QWAVNXZAQASOML-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,1,26.3,126,0,0,2,3,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-(P-CHLOROPHENOXY)-2-METHYLPROPIONIC ACID, ETHYL ESTER",000637-07-0,2796,ethyl 2-(4-chlorophenoxy)-2-methylpropanoate,CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl,"InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3",KNHUKKLJHYUCFP-UHFFFAOYSA-N,C12H15ClO3,242.7,242.070972,3.3,35.5,232,0,0,3,5,16,,148-150 °C @ 20 MM HG,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHORODICHLORIDIC ACID, PHENYL ESTER",000770-12-7,13038,dichlorophosphoryloxybenzene,C1=CC=C(C=C1)OP(=O)(Cl)Cl,"InChI=1S/C6H5Cl2O2P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H",TXFOLHZMICYNRM-UHFFFAOYSA-N,C6H5Cl2O2P,210.98,209.9404218,2.8,26.3,162,0,0,2,2,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
2-CHLORO-5-NITROBENZOIC ACID,002516-96-3,17287,2-chloro-5-nitrobenzoic acid,C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl,"InChI=1S/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)",QUEKGYQTRJVEQC-UHFFFAOYSA-N,C7H4ClNO4,201.56,200.9828853,2,83.1,227,0,1,4,1,13,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
3-(4-(ACETYLOXY)-3-METHOXYPHENYL)-2-PROPENOIC ACID,002596-47-6,5354677,(E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoic acid,CC(=O)OC1=C(C=C(C=C1)/C=C/C(=O)O)OC,"InChI=1S/C12H12O5/c1-8(13)17-10-5-3-9(4-6-12(14)15)7-11(10)16-2/h3-7H,1-2H3,(H,14,15)/b6-4+",IHKNVZISLLDMOR-GQCTYLIASA-N,C12H12O5,236.22,236.0684735,1.6,72.8,310,0,1,5,5,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0
1-ISOCYANATO-3-NITROBENZENE,003320-87-4,76835,1-isocyanato-3-nitrobenzene,C1=CC(=CC(=C1)[N+](=O)[O-])N=C=O,InChI=1S/C7H4N2O3/c10-5-8-6-2-1-3-7(4-6)9(11)12/h1-4H,GFFGYTMCNVMFAJ-UHFFFAOYSA-N,C7H4N2O3,164.12,164.022192,2.6,75.3,217,0,0,4,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
4-METHOXYPHENYL ISOCYANATE,005416-93-3,79443,1-isocyanato-4-methoxybenzene,COC1=CC=C(C=C1)N=C=O,"InChI=1S/C8H7NO2/c1-11-8-4-2-7(3-5-8)9-6-10/h2-5H,1H3",FMDGXCSMDZMDHZ-UHFFFAOYSA-N,C8H7NO2,149.15,149.0476785,3,38.7,155,0,0,3,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
3-METHOXYPHENYL ISOCYANATE,018908-07-1,87843,1-isocyanato-3-methoxybenzene,COC1=CC=CC(=C1)N=C=O,"InChI=1S/C8H7NO2/c1-11-8-4-2-3-7(5-8)9-6-10/h2-5H,1H3",NPOVTGVGOBJZPY-UHFFFAOYSA-N,C8H7NO2,149.15,149.0476785,3.1,38.7,163,0,0,3,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
BENZYL CHLOROMETHYL ETHER,003587-60-8,137983,chloromethoxymethylbenzene,C1=CC=C(C=C1)COCCl,"InChI=1S/C8H9ClO/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6-7H2",LADPCMZCENPFGV-UHFFFAOYSA-N,C8H9ClO,156.61,156.0341926,2.6,9.2,79,0,0,1,3,10,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,0
Pentafluorophenyl Isocyanate,001591-95-3,74125,"1,2,3,4,5-pentafluoro-6-isocyanatobenzene",C(=NC1=C(C(=C(C(=C1F)F)F)F)F)=O,InChI=1S/C7F5NO/c8-2-3(9)5(11)7(13-1-14)6(12)4(2)10,QXLDBWRLZDBVGF-UHFFFAOYSA-N,C7F5NO,209.07,208.9900044,3.2,29.4,240,0,0,7,1,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"3,5-DIMETHOXYPHENYL ISOCYANATE",054132-76-2,2736200,"1-isocyanato-3,5-dimethoxybenzene",COC1=CC(=CC(=C1)N=C=O)OC,"InChI=1S/C9H9NO3/c1-12-8-3-7(10-6-11)4-9(5-8)13-2/h3-5H,1-2H3",LEKQOUWMYSIQII-UHFFFAOYSA-N,C9H9NO3,179.17,179.0582431,2.7,47.9,189,0,0,4,3,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"3,4-DIMETHOXYPHENYL ISOCYANATE",037527-66-5,3517810,"4-isocyanato-1,2-dimethoxybenzene",COC1=C(C=C(C=C1)N=C=O)OC,"InChI=1S/C9H9NO3/c1-12-8-4-3-7(10-6-11)5-9(8)13-2/h3-5H,1-2H3",NYTBFFZQIRSGLL-UHFFFAOYSA-N,C9H9NO3,179.17,179.0582431,2.9,47.9,201,0,0,4,3,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"3,4,5-TRIMETHOXYPHENYL ISOCYANATE",001016-19-9,517766,"5-isocyanato-1,2,3-trimethoxybenzene",COC1=CC(=CC(=C1OC)OC)N=C=O,"InChI=1S/C10H11NO4/c1-13-8-4-7(11-6-12)5-9(14-2)10(8)15-3/h4-5H,1-3H3",MJJXWPHZDBIHIM-UHFFFAOYSA-N,C10H11NO4,209.2,209.0688078,2.6,57.1,226,0,0,5,4,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
SODIUM BENZOATE-D5,062790-26-5,23671533,"sodium 2,3,4,5,6-pentadeuteriobenzoate",[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)[O-])[2H])[2H].[Na+],"InChI=1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1/i1D,2D,3D,4D,5D;",WXMKPNITSTVMEF-GWVWGMRQSA-M,C7H5NaO2,149.13,149.0501074,,40.1,108,0,0,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
(-)-PSEUDOEPHEDRINE,000321-97-1,62946,"(1R,2R)-2-(methylamino)-1-phenylpropan-1-ol",C[C@H]([C@@H](C1=CC=CC=C1)O)NC,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m1/s1",KWGRBVOPPLSCSI-SCZZXKLOSA-N,C10H15NO,165.23,165.1153641,0.9,32.3,121,0,2,2,3,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
ETHYL 4-ISOCYANATOBENZOATE,030806-83-8,589805,ethyl 4-isocyanatobenzoate,CCOC(=O)C1=CC=C(C=C1)N=C=O,"InChI=1S/C10H9NO3/c1-2-14-10(13)8-3-5-9(6-4-8)11-7-12/h3-6H,2H2,1H3",CFEPCPHKICBCJV-UHFFFAOYSA-N,C10H9NO3,191.18,191.0582431,3.6,55.7,238,0,0,4,4,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
ETHYL 3-ISOCYANATOBENZOATE,067531-68-4,589806,ethyl 3-isocyanatobenzoate,CCOC(=O)C1=CC(=CC=C1)N=C=O,"InChI=1S/C10H9NO3/c1-2-14-10(13)8-4-3-5-9(6-8)11-7-12/h3-6H,2H2,1H3",UPXGGIRFDZENRD-UHFFFAOYSA-N,C10H9NO3,191.18,191.0582431,3.3,55.7,246,0,0,4,4,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"BENZOIC ACID-2,3,4,5,6-D5",001079-02-3,71603,"2,3,4,5,6-pentadeuteriobenzoic acid",[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)O)[2H])[2H],"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1D,2D,3D,4D,5D",WPYMKLBDIGXBTP-RALIUCGRSA-N,C7H6O2,127.15,127.0681632,1.9,37.3,103,0,1,2,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"2,2'-(P-TOLYLIMINO)DIETHANOL",003077-12-1,76497,2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol,CC1=CC=C(C=C1)N(CCO)CCO,"InChI=1S/C11H17NO2/c1-10-2-4-11(5-3-10)12(6-8-13)7-9-14/h2-5,13-14H,6-9H2,1H3",JUVSRZCUMWZBFK-UHFFFAOYSA-N,C11H17NO2,195.26,195.1259288,1,43.7,138,0,2,3,5,14,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"N-(2,6-DIMETHYLPHENYL)-N-(METHOXYACETYL)-D-ALANINE, METHYL ESTER",070630-17-0,11150163,"methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate",CC1=C(C(=CC=C1)C)N([C@H](C)C(=O)OC)C(=O)COC,"InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1",ZQEIXNIJLIKNTD-GFCCVEGCSA-N,C15H21NO4,279.33,279.1470582,1.6,55.8,335,0,0,4,6,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
3-CARBOMETHOXYPHENYL ISOCYANATE,041221-47-0,2733366,methyl 3-isocyanatobenzoate,COC(=O)C1=CC(=CC=C1)N=C=O,"InChI=1S/C9H7NO3/c1-13-9(12)7-3-2-4-8(5-7)10-6-11/h2-5H,1H3",WBGWGERFPSYHDT-UHFFFAOYSA-N,C9H7NO3,177.16,177.0425931,3,55.7,233,0,0,4,3,13,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
METHYL 4-ISOCYANATOBENZOATE,023138-53-6,280454,methyl 4-isocyanatobenzoate,COC(=O)C1=CC=C(C=C1)N=C=O,"InChI=1S/C9H7NO3/c1-13-9(12)7-2-4-8(5-3-7)10-6-11/h2-5H,1H3",FQDDBYGPHUUTRN-UHFFFAOYSA-N,C9H7NO3,177.16,177.0425931,3.1,55.7,225,0,0,4,3,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
METHYL 2-ISOCYANATOBENZOATE,001793-07-3,519494,methyl 2-isocyanatobenzoate,COC(=O)C1=CC=CC=C1N=C=O,"InChI=1S/C9H7NO3/c1-13-9(12)7-4-2-3-5-8(7)10-6-11/h2-5H,1H3",ATFKBWNEVZUSKC-UHFFFAOYSA-N,C9H7NO3,177.16,177.0425931,2.6,55.7,233,0,0,4,3,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
(4-BROMOMETHYL)PHENYLBORONIC ACID,068162-47-0,2735593,[4-(bromomethyl)phenyl]boronic acid,B(C1=CC=C(C=C1)CBr)(O)O,"InChI=1S/C7H8BBrO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H,5H2",PDNOURKEZJZJNZ-UHFFFAOYSA-N,C7H8BBrO2,214.85,213.98007,,40.5,113,0,2,2,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-NITROPHENYL ISOTHIOCYANATE,002719-30-4,137690,1-isothiocyanato-2-nitrobenzene,C1=CC=C(C(=C1)N=C=S)[N+](=O)[O-],InChI=1S/C7H4N2O2S/c10-9(11)7-4-2-1-3-6(7)8-5-12/h1-4H,CBWJHIXSVFDERH-UHFFFAOYSA-N,C7H4N2O2S,180.19,179.9993486,3.2,90.3,220,0,0,4,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-(CHLOROMETHYL)-2-(TRIFLUOROMETHOXY)BENZENE,116827-40-8,4656677,1-(chloromethyl)-2-(trifluoromethoxy)benzene,C1=CC=C(C(=C1)CCl)OC(F)(F)F,"InChI=1S/C8H6ClF3O/c9-5-6-3-1-2-4-7(6)13-8(10,11)12/h1-4H,5H2",ZGXDTWNEZOBSBJ-UHFFFAOYSA-N,C8H6ClF3O,210.58,210.005927,3.6,9.2,160,0,0,4,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-TERT-BUTYLPHENYL ISOCYANATE,056309-60-5,2735694,1-tert-butyl-2-isocyanatobenzene,CC(C)(C)C1=CC=CC=C1N=C=O,"InChI=1S/C11H13NO/c1-11(2,3)9-6-4-5-7-10(9)12-8-13/h4-7H,1-3H3",YQQNLONQWMLAQX-UHFFFAOYSA-N,C11H13NO,175.23,175.099714,4.4,29.4,211,0,0,2,2,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"2,4,6-TRIS(BROMOMETHYL)MESITYLENE",021988-87-4,89140,"1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene",CC1=C(C(=C(C(=C1CBr)C)CBr)C)CBr,"InChI=1S/C12H15Br3/c1-7-10(4-13)8(2)12(6-15)9(3)11(7)5-14/h4-6H2,1-3H3",BHIFXIATEXVOQA-UHFFFAOYSA-N,C12H15Br3,398.96,397.87034,4.7,0,144,0,0,0,3,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-AMINOBENZYLAMINE,004403-69-4,178096,2-(aminomethyl)aniline,C1=CC=C(C(=C1)CN)N,"InChI=1S/C7H10N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5,8-9H2",GVOYKJPMUUJXBS-UHFFFAOYSA-N,C7H10N2,122.17,122.0843983,0.7,52,83,0,2,2,1,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
4-HYDROXY-M-TOLUIC ACID,000499-76-3,68138,4-hydroxy-3-methylbenzoic acid,CC1=C(C=CC(=C1)C(=O)O)O,"InChI=1S/C8H8O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3,(H,10,11)",LTFHNKUKQYVHDX-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,0.9,57.5,155,0,2,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-FLUORO-4-HYDROXYBENZONITRILE,082380-18-5,2734675,2-fluoro-4-hydroxybenzonitrile,C1=CC(=C(C=C1O)F)C#N,"InChI=1S/C7H4FNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H",REIVHYDACHXPNH-UHFFFAOYSA-N,C7H4FNO,137.11,137.0276919,1.4,44,162,0,1,3,0,10,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
2-FLUORO-3-METHOXYBENZALDHYDE,103438-88-6,3774463,2-fluoro-3-methoxybenzaldehyde,COC1=CC=CC(=C1F)C=O,"InChI=1S/C8H7FO2/c1-11-7-4-2-3-6(5-10)8(7)9/h2-5H,1H3",LIHCOUDNHILORI-UHFFFAOYSA-N,C8H7FO2,154.14,154.0430076,1.3,26.3,138,0,0,3,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"2,5-DIBROMOANILINE",003638-73-1,77198,"2,5-dibromoaniline",C1=CC(=C(C=C1Br)N)Br,"InChI=1S/C6H5Br2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2",WRTAZRGRFBCKBU-UHFFFAOYSA-N,C6H5Br2N,250.92,250.87682,2.6,26,97,0,1,1,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"2,3,5,6-TETRAFLUOROHYDROQUINONE",000771-63-1,69870,"2,3,5,6-tetrafluorobenzene-1,4-diol",C1(=C(C(=C(C(=C1F)F)O)F)F)O,InChI=1S/C6H2F4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H,ZSDAMBJDFDRLSS-UHFFFAOYSA-N,C6H2F4O2,182.07,181.999092,2.8,40.5,134,0,2,6,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MONOSODIUM 2-SULFOTEREPHTHALATE,019089-60-2,44630481,sodium 4-carboxy-2-sulfobenzoate,C1=CC(=C(C=C1C(=O)O)S(=O)(=O)O)C(=O)[O-].[Na+],"InChI=1S/C8H6O7S.Na/c9-7(10)4-1-2-5(8(11)12)6(3-4)16(13,14)15;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);/q;+1/p-1",JARIJYUQOKFVAJ-UHFFFAOYSA-M,C8H5NaO7S,268.18,267.965368,,140,399,0,2,7,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-HYDROXYISOPHTHALIC ACID,000606-19-9,11812,"2-hydroxybenzene-1,3-dicarboxylic acid",C1=CC(=C(C(=C1)C(=O)O)O)C(=O)O,"InChI=1S/C8H6O5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)",WVDGHGISNBRCAO-UHFFFAOYSA-N,C8H6O5,182.13,182.0215233,1.1,94.8,203,0,3,5,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-CYANOBENZENESULFONYL CHLORIDE,056542-67-7,2801360,3-cyanobenzenesulfonyl chloride,C1=CC(=CC(=C1)S(=O)(=O)Cl)C#N,"InChI=1S/C7H4ClNO2S/c8-12(10,11)7-3-1-2-6(4-7)5-9/h1-4H",BHNRGBRMCNHNQD-UHFFFAOYSA-N,C7H4ClNO2S,201.63,200.9651272,1.7,66.3,297,0,0,3,1,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
ETHYL 2-(4-CYANOPHENYL)ACETATE,001528-41-2,279718,ethyl 2-(4-cyanophenyl)acetate,CCOC(=O)CC1=CC=C(C=C1)C#N,"InChI=1S/C11H11NO2/c1-2-14-11(13)7-9-3-5-10(8-12)6-4-9/h3-6H,2,7H2,1H3",DFEWKWBIPMKGFG-UHFFFAOYSA-N,C11H11NO2,189.21,189.0789786,2,50.1,233,0,0,3,4,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-FLUORO-4-IODOBENZONITRILE,887266-99-1,24721521,3-fluoro-4-iodobenzonitrile,C1=CC(=C(C=C1C#N)F)I,InChI=1S/C7H3FIN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H,NPKQMCCUPXZXFI-UHFFFAOYSA-N,C7H3FIN,247.01,246.92942,2.4,23.8,162,0,0,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-CARBOXY-3-CHLOROPHENYLBORONIC ACID,136496-72-5,14903223,4-borono-2-chlorobenzoic acid,B(C1=CC(=C(C=C1)C(=O)O)Cl)(O)O,"InChI=1S/C7H6BClO4/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3,12-13H,(H,10,11)",QFAFGWXQNDYXPZ-UHFFFAOYSA-N,C7H6BClO4,200.38,200.0047665,,77.8,199,0,3,4,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-(4-ISOTHIOCYANATOPHENYL)-3-[6,17-DIHYDROXY-7,10,18,21-TETRAOXO-27-(N-ACETYLHYDROXYLAMINO)-
6,11,17,22-TETRAAZAHEPTAEICOSINE] THIOUREA P-SCN-DEFEROXAMINE",1222468-90-7,24983484,N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-[(4-isothiocyanatophenyl)carbamothioylamino]pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide,CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=S)NC1=CC=C(C=C1)N=C=S)O)O)O,"InChI=1S/C33H52N8O8S2/c1-26(42)39(47)22-8-2-5-19-34-29(43)15-17-31(45)40(48)23-9-3-6-20-35-30(44)16-18-32(46)41(49)24-10-4-7-21-36-33(51)38-28-13-11-27(12-14-28)37-25-50/h11-14,47-49H,2-10,15-24H2,1H3,(H,34,43)(H,35,44)(H2,36,38,51)",HBAYEVATSBINBX-UHFFFAOYSA-N,C33H52N8O8S2,752.9,752.334953,1.5,280,1140,0,7,11,26,51,,,0,1,1,1,0,0,0,1,0,0,1,0,0,0,1,0,1,1,0,1
(2-METHOXYETHYL)(2-PHENYLETHYL)AMINE,932005-72-6,17158403,N-(2-methoxyethyl)-2-phenylethanamine,COCCNCCC1=CC=CC=C1,"InChI=1S/C11H17NO/c1-13-10-9-12-8-7-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3",MNWXPJSEFTZSDU-UHFFFAOYSA-N,C11H17NO,179.26,179.1310142,1.6,21.3,111,0,1,2,6,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-CHLORO-1-FLUORO-2-NITROBENZENE,000345-18-6,67660,4-chloro-1-fluoro-2-nitrobenzene,C1=CC(=C(C=C1Cl)[N+](=O)[O-])F,InChI=1S/C6H3ClFNO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,DIAWBHLTWNWYGR-UHFFFAOYSA-N,C6H3ClFNO2,175.54,174.9836342,2.4,45.8,161,0,0,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
3-AMINO-4-BROMOBENZONITRILE,072635-78-0,44336425,3-amino-4-bromobenzonitrile,C1=CC(=C(C=C1C#N)N)Br,"InChI=1S/C7H5BrN2/c8-6-2-1-5(4-9)3-7(6)10/h1-3H,10H2",UAGGUNDAQDTCFW-UHFFFAOYSA-N,C7H5BrN2,197.03,195.96361,1.7,49.8,160,0,1,2,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
H-TYR-NH2,004985-46-0,151243,(2S)-2-amino-3-(4-hydroxyphenyl)propanamide,C1=CC(=CC=C1C[C@@H](C(=O)N)N)O,"InChI=1S/C9H12N2O2/c10-8(9(11)13)5-6-1-3-7(12)4-2-6/h1-4,8,12H,5,10H2,(H2,11,13)/t8-/m0/s1",PQFMNVGMJJMLAE-QMMMGPOBSA-N,C9H12N2O2,180.2,180.0898776,-0.6,89.3,176,0,3,3,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-(ETHYLPHENYLAMINO)-",000092-50-2,62338,2-(N-ethylanilino)ethanol,CCN(CCO)C1=CC=CC=C1,"InChI=1S/C10H15NO/c1-2-11(8-9-12)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3",HYVGFUIWHXLVNV-UHFFFAOYSA-N,C10H15NO,165.23,165.1153641,2.1,23.5,110,0,1,2,4,12,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"ETHANOL, 2-[(4-AMINOPHENYL)ETHYLAMINO]-",000092-65-9,66713,2-(4-amino-N-ethylanilino)ethanol,CCN(CCO)C1=CC=C(C=C1)N,"InChI=1S/C10H16N2O/c1-2-12(7-8-13)10-5-3-9(11)4-6-10/h3-6,13H,2,7-8,11H2,1H3",WFXLRLQSHRNHCE-UHFFFAOYSA-N,C10H16N2O,180.25,180.1262631,1.4,49.5,133,0,2,3,4,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEMETHANAMINE, 2-CHLORO-N-METHYL-",000094-64-4,66754,1-(2-chlorophenyl)-N-methylmethanamine,CNCC1=CC=CC=C1Cl,"InChI=1S/C8H10ClN/c1-10-6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3",DIWGZVQKFSFNLH-UHFFFAOYSA-N,C8H10ClN,155.62,155.050177,1.9,12,95,0,1,1,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"FORMAMIDE, N-(2-METHYLPHENYL)-",000094-69-9,7202,N-(2-methylphenyl)formamide,CC1=CC=CC=C1NC=O,"InChI=1S/C8H9NO/c1-7-4-2-3-5-8(7)9-6-10/h2-6H,1H3,(H,9,10)",ZXTLGJAARBNQGK-UHFFFAOYSA-N,C8H9NO,135.16,135.0684139,0.9,29.1,114,0,1,1,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0
"BENZENEMETHANAMINE, 2,4-DIMETHYL-",000094-98-4,66761,"(2,4-dimethylphenyl)methanamine",CC1=CC(=C(C=C1)CN)C,"InChI=1S/C9H13N/c1-7-3-4-9(6-10)8(2)5-7/h3-5H,6,10H2,1-2H3",GBSUVYGVEQDZPG-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,1.5,26,101,0,1,1,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 2,4-DICHLORO-1-(CHLOROMETHYL)-",000094-99-5,7212,"2,4-dichloro-1-(chloromethyl)benzene",C1=CC(=C(C=C1Cl)Cl)CCl,"InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2",IRSVDHPYXFLLDS-UHFFFAOYSA-N,C7H5Cl3,195.5,193.945683,3.8,0,105,0,0,0,1,10,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2-CHLORO-4-(1,1-DIMETHYLETHYL)-",000098-28-2,7380,4-tert-butyl-2-chlorophenol,CC(C)(C)C1=CC(=C(C=C1)O)Cl,"InChI=1S/C10H13ClO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3",PRLINSMUYJWPBL-UHFFFAOYSA-N,C10H13ClO,184.66,184.0654927,3.9,20.2,150,0,1,1,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-[(3-METHYLPHENYL)AMINO]-",000102-41-0,66886,2-(3-methylanilino)ethanol,CC1=CC(=CC=C1)NCCO,"InChI=1S/C9H13NO/c1-8-3-2-4-9(7-8)10-5-6-11/h2-4,7,10-11H,5-6H2,1H3",GZCPEUOCUUNCLZ-UHFFFAOYSA-N,C9H13NO,151.21,151.099714,1.6,32.3,106,0,2,2,3,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,1,0
"BENZENEMETHANAMINE, 4-CHLORO-N-METHYL-",000104-11-0,66905,1-(4-chlorophenyl)-N-methylmethanamine,CNCC1=CC=C(C=C1)Cl,"InChI=1S/C8H10ClN/c1-10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3",LMBUJNXYGGNSAH-UHFFFAOYSA-N,C8H10ClN,155.62,155.050177,2.2,12,87,0,1,1,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1,4-DINITROSO-",000105-12-4,66921,"1,4-dinitrosobenzene",C1=CC(=CC=C1N=O)N=O,InChI=1S/C6H4N2O2/c9-7-5-1-2-6(8-10)4-3-5/h1-4H,MKZXROSCOHNKDX-UHFFFAOYSA-N,C6H4N2O2,136.11,136.0272774,1,58.9,114,0,0,4,0,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEETHANAMINE, 3,4-DIMETHOXY-",000120-20-7,8421,"2-(3,4-dimethoxyphenyl)ethanamine",COC1=C(C=C(C=C1)CCN)OC,"InChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3",ANOUKFYBOAKOIR-UHFFFAOYSA-N,C10H15NO2,181.23,181.1102787,0.8,44.5,141,0,1,3,4,13,,163 - 165 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"PHENOL, 2-[(DIMETHYLAMINO)METHYL]-",000120-65-0,32897,2-[(dimethylamino)methyl]phenol,CN(C)CC1=CC=CC=C1O,"InChI=1S/C9H13NO/c1-10(2)7-8-5-3-4-6-9(8)11/h3-6,11H,7H2,1-2H3",FUIQBJHUESBZNU-UHFFFAOYSA-N,C9H13NO,151.21,151.099714,0.9,23.5,114,0,1,2,2,11,,,0,1,1,1,0,0,0,1,0,0,1,0,0,1,0,0,1,0,1,1
"BENZENESULFONIC ACID, 2-METHYL-5-NITRO-",000121-03-9,8458,2-methyl-5-nitrobenzenesulfonic acid,CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O,"InChI=1S/C7H7NO5S/c1-5-2-3-6(8(9)10)4-7(5)14(11,12)13/h2-4H,1H3,(H,11,12,13)",ZDTXQHVBLWYPHS-UHFFFAOYSA-N,C7H7NO5S,217.2,217.0044935,0.9,109,314,0,1,5,1,14,Flash point > 133 °C,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"DIETHYLPROPION HYDROCHLORIDE (TENUATE, TEPANIL)",000134-80-5,91442,2-(diethylamino)-1-phenylpropan-1-one;hydrochloride,CCN(CC)C(C)C(=O)C1=CC=CC=C1.Cl,"InChI=1S/C13H19NO.ClH/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12;/h6-11H,4-5H2,1-3H3;1H",ICFXZZFWRWNZMA-UHFFFAOYSA-N,C13H20ClNO,241.76,241.123342,,20.3,193,0,1,2,5,16,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"PHENOL, 2,4,5-TRICHLORO-, SODIUM SALT",000136-32-3,23662264,"sodium 2,4,5-trichlorophenolate",C1=C(C(=CC(=C1Cl)Cl)Cl)[O-].[Na+],"InChI=1S/C6H3Cl3O.Na/c7-3-1-5(9)6(10)2-4(3)8;/h1-2,10H;/q;+1/p-1",KWFOMJTYKROHLX-UHFFFAOYSA-M,C6H2Cl3NaO,219.4,217.906892,,23.1,124,0,0,1,0,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 2-CHLORO-5-(CHLOROSULFONYL)-",000137-64-4,67306,2-chloro-5-chlorosulfonylbenzoic acid,C1=CC(=C(C=C1S(=O)(=O)Cl)C(=O)O)Cl,"InChI=1S/C7H4Cl2O4S/c8-6-2-1-4(14(9,12)13)3-5(6)7(10)11/h1-3H,(H,10,11)",CLHNTBSDCJLCKV-UHFFFAOYSA-N,C7H4Cl2O4S,255.07,253.9207352,2.2,79.8,321,0,1,4,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"n-Anisamide, 4-amino-5-chloro-N-(2-(diethylamino)ethyl)-",000364-62-5,4168,4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl,"InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)",TTWJBBZEZQICBI-UHFFFAOYSA-N,C14H22ClN3O2,299.79,299.1400546,2.6,67.6,300,0,2,4,7,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
N-isopropyl-alpha-(2-methylhydrazino)-p-Toluamide monohydrochloride,000366-70-1,9703,4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride,CC(C)NC(=O)C1=CC=C(C=C1)CNNC.Cl,"InChI=1S/C12H19N3O.ClH/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);1H",DERJYEZSLHIUKF-UHFFFAOYSA-N,C12H20ClN3O,257.76,257.12949,,53.2,210,0,4,3,5,17,,,0,0,0,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0
"BENZONITRILE, 3-FLUORO-",000403-54-3,67880,3-fluorobenzonitrile,C1=CC(=CC(=C1)F)C#N,InChI=1S/C7H4FN/c8-7-3-1-2-6(4-7)5-9/h1-4H,JZTPKAROPNTQQV-UHFFFAOYSA-N,C7H4FN,121.11,121.0327773,1.5,23.8,135,0,0,2,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-FLUORO-3-ISOTHIOCYANATO-",000404-72-8,9834,1-fluoro-3-isothiocyanatobenzene,C1=CC(=CC(=C1)F)N=C=S,InChI=1S/C7H4FNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H,HDBACITVPQEAGG-UHFFFAOYSA-N,C7H4FNS,153.18,153.0048485,3.5,44.5,154,0,0,3,1,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2,3,4-TRIMETHYL-",000526-85-2,68237,"2,3,4-trimethylphenol",CC1=C(C(=C(C=C1)O)C)C,"InChI=1S/C9H12O/c1-6-4-5-9(10)8(3)7(6)2/h4-5,10H,1-3H3",XRUGBBIQLIVCSI-UHFFFAOYSA-N,C9H12O,136.19,136.088815,2.7,20.2,111,0,1,1,0,10,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,2-PROPANEDIOL, 3-(2-METHOXYPHENOXY)-, 1-CARBAMATE",000532-03-6,4107,[2-hydroxy-3-(2-methoxyphenoxy)propyl] carbamate,COC1=CC=CC=C1OCC(COC(=O)N)O,"InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)",GNXFOGHNGIVQEH-UHFFFAOYSA-N,C11H15NO5,241.24,241.0950226,0.6,91,236,0,2,5,7,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"(2,4-dichlorophenoxy)-Acetic acid, ethyl ester",000533-23-3,10780,"ethyl 2-(2,4-dichlorophenoxy)acetate",CCOC(=O)COC1=C(C=C(C=C1)Cl)Cl,"InChI=1S/C10H10Cl2O3/c1-2-14-10(13)6-15-9-4-3-7(11)5-8(9)12/h3-5H,2,6H2,1H3",JSLBZIVMVVHMDJ-UHFFFAOYSA-N,C10H10Cl2O3,249.09,248.0006996,3.5,35.5,211,0,0,3,5,15,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"ETHANONE, 2-BROMO-1-(4-CHLOROPHENYL)-",000536-38-9,68303,2-bromo-1-(4-chlorophenyl)ethanone,C1=CC(=CC=C1C(=O)CBr)Cl,"InChI=1S/C8H6BrClO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2",FLAYZKKEOIAALB-UHFFFAOYSA-N,C8H6BrClO,233.49,231.92906,3.1,17.1,141,0,0,1,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOIC ACID, 2-HYDROXY-, MONOPOTASSIUM SALT",000578-36-9,23664627,potassium 2-hydroxybenzoate,C1=CC=C(C(=C1)C(=O)[O-])O.[K+],"InChI=1S/C7H6O3.K/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1",FRMWBRPWYBNAFB-UHFFFAOYSA-M,C7H5KO3,176.21,175.9875755,,60.4,138,0,1,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-BENZENEDIAMINE, 2,6-DICHLORO-",000609-20-1,11860,"2,6-dichlorobenzene-1,4-diamine",C1=C(C=C(C(=C1Cl)N)Cl)N,"InChI=1S/C6H6Cl2N2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,9-10H2",HQCHAOKWWKLXQH-UHFFFAOYSA-N,C6H6Cl2N2,177.03,175.9908036,2.4,52,108,0,2,2,0,10,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,1,0,0,0,0,0
"PHENOL, 2,4-DIBROMO-6-METHYL-",000609-22-3,11861,"2,4-dibromo-6-methylphenol",CC1=CC(=CC(=C1O)Br)Br,"InChI=1S/C7H6Br2O/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1H3",XMKVPKGYUXVWEB-UHFFFAOYSA-N,C7H6Br2O,265.93,265.87649,2.4,20.2,118,0,1,1,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZAMIDE, 2-CHLORO-",000609-66-5,69111,2-chlorobenzamide,C1=CC=C(C(=C1)C(=O)N)Cl,"InChI=1S/C7H6ClNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)",RBGDLYUEXLWQBZ-UHFFFAOYSA-N,C7H6ClNO,155.58,155.0137915,0.6,43.1,138,0,1,1,1,10,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEMETHANOL, 2-METHOXY-",000612-16-8,69154,(2-methoxyphenyl)methanol,COC1=CC=CC=C1CO,"InChI=1S/C8H10O2/c1-10-8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3",WYLYBQSHRJMURN-UHFFFAOYSA-N,C8H10O2,138.16,138.0680796,1.1,29.5,93,0,1,2,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"ETHANONE, 1-PHENYL-, OXIME",000613-91-2,69185,N-(1-phenylethylidene)hydroxylamine,CC(=NO)C1=CC=CC=C1,"InChI=1S/C8H9NO/c1-7(9-10)8-5-3-2-4-6-8/h2-6,10H,1H3",JHNRZXQVBKRYKN-UHFFFAOYSA-N,C8H9NO,135.16,135.0684139,1.9,32.6,125,0,1,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4-METHOXY-1,3-BENZENEDIAMINE, DIHYDROCHLORIDE",000614-94-8,11975,"4-methoxybenzene-1,3-diamine;dihydrochloride",COC1=C(C=C(C=C1)N)N.Cl.Cl,"InChI=1S/C7H10N2O.2ClH/c1-10-7-3-2-5(8)4-6(7)9;;/h2-4H,8-9H2,1H3;2*1H",FNGHHDCBSVSOOI-UHFFFAOYSA-N,C7H12Cl2N2O,211.09,210.0326684,,61.3,108,0,4,3,1,12,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHENOL, 3-CHLORO-4-METHYL-",000615-62-3,14853,3-chloro-4-methylphenol,CC1=C(C=C(C=C1)O)Cl,"InChI=1S/C7H7ClO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3",VQZRLBWPEHFGCD-UHFFFAOYSA-N,C7H7ClO,142.58,142.0185425,3.3,20.2,94,0,1,1,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 3-(1-METHYLETHYL)-",000618-45-1,12059,3-propan-2-ylphenol,CC(C)C1=CC(=CC=C1)O,"InChI=1S/C9H12O/c1-7(2)8-4-3-5-9(10)6-8/h3-7,10H,1-2H3",VLJSLTNSFSOYQR-UHFFFAOYSA-N,C9H12O,136.19,136.088815,2.7,20.2,98,0,1,1,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOYL CHLORIDE, 3-CHLORO-",000618-46-2,69252,3-chlorobenzoyl chloride,C1=CC(=CC(=C1)Cl)C(=O)Cl,InChI=1S/C7H4Cl2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,WHIHIKVIWVIIER-UHFFFAOYSA-N,C7H4Cl2O,175.01,173.9639201,3.7,17.1,136,0,0,1,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-(BROMOMETHYL)-3-METHYL-",000620-13-3,12099,1-(bromomethyl)-3-methylbenzene,CC1=CC(=CC=C1)CBr,"InChI=1S/C8H9Br/c1-7-3-2-4-8(5-7)6-9/h2-5H,6H2,1H3",FWLWTILKTABGKQ-UHFFFAOYSA-N,C8H9Br,185.06,183.98876,3,0,80,0,0,0,1,9,82 °C (180  °F) - closed cup,212.5 °C,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENAMINE, N-PROPYL-",000622-80-0,12153,N-propylaniline,CCCNC1=CC=CC=C1,"InChI=1S/C9H13N/c1-2-8-10-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3",CDZOGLJOFWFVOZ-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,2.5,12,74,0,1,1,3,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"BENZENE, 1,3-BIS(CHLOROMETHYL)-",000626-16-4,12275,"1,3-bis(chloromethyl)benzene",C1=CC(=CC(=C1)CCl)CCl,"InChI=1S/C8H8Cl2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2",GRJWOKACBGZOKT-UHFFFAOYSA-N,C8H8Cl2,175.05,174.0003056,2.7,0,83,0,0,0,2,10,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-SULFO-",000632-25-7,12438,2-sulfobenzoic acid,C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)O,"InChI=1S/C7H6O5S/c8-7(9)5-3-1-2-4-6(5)13(10,11)12/h1-4H,(H,8,9)(H,10,11,12)",ZMPRRFPMMJQXPP-UHFFFAOYSA-N,C7H6O5S,202.19,201.9935945,0.2,100,288,0,2,5,2,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-OCTYL-, CHLORIDE",000959-55-7,13740,benzyl-dimethyl-octylazanium chloride,CCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-],"InChI=1S/C17H30N.ClH/c1-4-5-6-7-8-12-15-18(2,3)16-17-13-10-9-11-14-17;/h9-11,13-14H,4-8,12,15-16H2,1-3H3;1H/q+1;/p-1",PXFDQFDPXWHEEP-UHFFFAOYSA-M,C17H30ClN,283.9,283.2066777,,0,192,0,0,1,9,19,,,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,2-BENZENEDIOL, 3,4,5,6-TETRACHLORO-",001198-55-6,14537,"3,4,5,6-tetrachlorobenzene-1,2-diol",C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)O)O,InChI=1S/C6H2Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H,RRBMVWQICIXSEO-UHFFFAOYSA-N,C6H2Cl4O2,247.9,247.87794,4.3,40.5,150,0,2,2,0,12,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, DINONYL-",001323-65-5,172321,"2,3-di(nonyl)phenol",CCCCCCCCCC1=C(C(=CC=C1)O)CCCCCCCCC,"InChI=1S/C24H42O/c1-3-5-7-9-11-13-15-18-22-19-17-21-24(25)23(22)20-16-14-12-10-8-6-4-2/h17,19,21,25H,3-16,18,20H2,1-2H3",JKTAIYGNOFSMCE-UHFFFAOYSA-N,C24H42O,346.6,346.323566,10.7,20.2,275,0,1,1,16,25,214.7 °C,at 101.3kPa: 455.3 °C,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,0
"BENZENE, 1,4-BIS(DIBROMOMETHYL)-",001592-31-0,74127,"1,4-bis(dibromomethyl)benzene",C1=CC(=CC=C1C(Br)Br)C(Br)Br,"InChI=1S/C8H6Br4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4,7-8H",VIQBABDKNOOCQD-UHFFFAOYSA-N,C8H6Br4,421.75,421.7162,4.8,0,111,0,0,0,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-N-BUTYLPHENOL,001638-22-8,15420,4-butylphenol,CCCCC1=CC=C(C=C1)O,"InChI=1S/C10H14O/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8,11H,2-4H2,1H3",CYYZDBDROVLTJU-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,3.4,20.2,93,0,1,1,3,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-BUTANONE, 1-(4-AMINOPHENYL)-",001688-71-7,15527,1-(4-aminophenyl)butan-1-one,CCCC(=O)C1=CC=C(C=C1)N,"InChI=1S/C10H13NO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3,11H2,1H3",CYCSOZSEBPZGPC-UHFFFAOYSA-N,C10H13NO,163.22,163.099714,1.7,43.1,148,0,1,2,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"BENZENESULFONYL CHLORIDE, 2-NITRO-",001694-92-4,15540,2-nitrobenzenesulfonyl chloride,C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)Cl,"InChI=1S/C6H4ClNO4S/c7-13(11,12)6-4-2-1-3-5(6)8(9)10/h1-4H",WPHUUIODWRNJLO-UHFFFAOYSA-N,C6H4ClNO4S,221.62,220.9549565,1.8,88.3,291,0,0,4,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENAMINE, 3-(METHYLTHIO)-",001783-81-9,15693,3-methylsulfanylaniline,CSC1=CC=CC(=C1)N,"InChI=1S/C7H9NS/c1-9-7-4-2-3-6(8)5-7/h2-5H,8H2,1H3",KCHLDNLIJVSRPK-UHFFFAOYSA-N,C7H9NS,139.22,139.0455705,1.5,51.3,85,0,1,2,1,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-(4-CHLOROPHENOXY)-",001892-43-9,15907,2-(4-chlorophenoxy)ethanol,C1=CC(=CC=C1OCCO)Cl,"InChI=1S/C8H9ClO2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2",GEGSSUSEWOHAFE-UHFFFAOYSA-N,C8H9ClO2,172.61,172.0291072,1.8,29.5,100,0,1,2,3,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propionic acid, 2-((4-chloro-o-tolyl)oxy)-, potassium salt",001929-86-8,23684575,potassium 2-(4-chloro-2-methylphenoxy)propanoate,CC1=C(C=CC(=C1)Cl)OC(C)C(=O)[O-].[K+],"InChI=1S/C10H11ClO3.K/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;/h3-5,7H,1-2H3,(H,12,13);/q;+1/p-1",OFCQYQOZASISIU-UHFFFAOYSA-M,C10H10ClKO3,252.73,251.9955534,,49.4,213,0,0,3,3,15,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENETHIOL, 3-CHLORO-",002037-31-2,16257,3-chlorobenzenethiol,C1=CC(=CC(=C1)Cl)S,"InChI=1S/C6H5ClS/c7-5-2-1-3-6(8)4-5/h1-4,8H",CQJDYPZUDYXHLM-UHFFFAOYSA-N,C6H5ClS,144.62,143.980049,3.1,1,74,0,1,1,0,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENAMINE, 3-CHLORO-2-FLUORO-",002106-04-9,75014,3-chloro-2-fluoroaniline,C1=CC(=C(C(=C1)Cl)F)N,"InChI=1S/C6H5ClFN/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2",XWBTZHDDWRNOQH-UHFFFAOYSA-N,C6H5ClFN,145.56,145.009455,2,26,99,0,1,2,0,9,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 4-ISOTHIOCYANATO-",002131-60-4,102208,4-isothiocyanatophenol,C1=CC(=CC=C1N=C=S)O,"InChI=1S/C7H5NOS/c9-7-3-1-6(2-4-7)8-5-10/h1-4,9H",HIPHYBWWZWRZOV-UHFFFAOYSA-N,C7H5NOS,151.19,151.009185,2.7,64.7,146,0,1,3,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0
"Acetic acid, (2,4-dichlorophenoxy)-, ammonium salt",002307-55-3,12877609,"azane;2-(2,4-dichlorophenoxy)acetic acid",C1=CC(=C(C=C1Cl)Cl)OCC(=O)O.N,"InChI=1S/C8H6Cl2O3.H3N/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;/h1-3H,4H2,(H,11,12);1H3",AQKNQRMIGNOQQF-UHFFFAOYSA-N,C8H9Cl2NO3,238.06,236.9959485,,47.5,186,0,2,4,3,14,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"PHENOL, 2,6-DICHLORO-4-METHYL-",002432-12-4,17077,"2,6-dichloro-4-methylphenol",CC1=CC(=C(C(=C1)Cl)O)Cl,"InChI=1S/C7H6Cl2O/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3",YXEOEPYIBGTLML-UHFFFAOYSA-N,C7H6Cl2O,177.02,175.9795702,3.2,20.2,106,0,1,1,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONYL FLUORIDE, 3-(CHLOROSULFONYL)-",002489-52-3,75603,3-chlorosulfonylbenzenesulfonyl fluoride,C1=CC(=CC(=C1)S(=O)(=O)Cl)S(=O)(=O)F,"InChI=1S/C6H4ClFO4S2/c7-13(9,10)5-2-1-3-6(4-5)14(8,11)12/h1-4H",ZPGHDPUCQANFAD-UHFFFAOYSA-N,C6H4ClFO4S2,258.7,257.9223568,2.1,85,391,0,0,5,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 5-CHLORO-2-NITRO-",002516-95-2,17286,5-chloro-2-nitrobenzoic acid,C1=CC(=C(C=C1Cl)C(=O)O)[N+](=O)[O-],"InChI=1S/C7H4ClNO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,(H,10,11)",ZKUYSJHXBFFGPU-UHFFFAOYSA-N,C7H4ClNO4,201.56,200.9828853,2.1,83.1,227,0,1,4,1,13,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2-ETHOXY-4-METHYL-",002563-07-7,75715,2-ethoxy-4-methylphenol,CCOC1=C(C=CC(=C1)C)O,"InChI=1S/C9H12O2/c1-3-11-9-6-7(2)4-5-8(9)10/h4-6,10H,3H2,1-2H3",ZWQBCCVEOIYNDL-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,2.3,29.5,114,0,1,2,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"2,4-DICHLOROPHENOXYACETIC ACID SODIUM SALT",002702-72-9,66733472,,C1=CC(=C(C=C1Cl)Cl)OCC(=O)O.[Na],"InChI=1S/C8H6Cl2O3.Na/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;/h1-3H,4H2,(H,11,12);",UFJKHDMPEUOKGV-UHFFFAOYSA-N,C8H6Cl2NaO3,244.02,242.9591687,,46.5,186,0,1,3,3,14,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"BENZONITRILE, 4-ISOTHIOCYANATO-",002719-32-6,17626,4-isothiocyanatobenzonitrile,C1=CC(=CC=C1C#N)N=C=S,InChI=1S/C8H4N2S/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H,DZFKAXLNKZXNHD-UHFFFAOYSA-N,C8H4N2S,160.2,160.0095193,3.1,68.2,213,0,0,3,1,11,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"3,5-DICHLORO-BENZOYL CHLORIDE",002905-62-6,76191,"3,5-dichlorobenzoyl chloride",C1=C(C=C(C=C1Cl)Cl)C(=O)Cl,InChI=1S/C7H3Cl3O/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,GGHLXLVPNZMBQR-UHFFFAOYSA-N,C7H3Cl3O,209.5,207.924948,3.7,17.1,150,0,0,1,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2-METHYL-4,6-DINONYL-",003011-61-8,76383,"2-methyl-4,6-di(nonyl)phenol",CCCCCCCCCC1=CC(=C(C(=C1)C)O)CCCCCCCCC,"InChI=1S/C25H44O/c1-4-6-8-10-12-14-16-18-23-20-22(3)25(26)24(21-23)19-17-15-13-11-9-7-5-2/h20-21,26H,4-19H2,1-3H3",SGHSRBYSXCNJLP-UHFFFAOYSA-N,C25H44O,360.6,360.339216,11.1,20.2,301,0,1,1,16,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0
"BENZENE, 1-ISOTHIOCYANATO-3-NITRO-",003529-82-6,19050,1-isothiocyanato-3-nitrobenzene,C1=CC(=CC(=C1)[N+](=O)[O-])N=C=S,InChI=1S/C7H4N2O2S/c10-9(11)7-3-1-2-6(4-7)8-5-12/h1-4H,OEZXLKSZOAWNJU-UHFFFAOYSA-N,C7H4N2O2S,180.19,179.9993486,3.3,90.3,220,0,0,4,1,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Urea, 3-(p-chlorophenyl)-1-methyl-1-(1-methyl-2-propynyl)-",003766-60-7,19587,1-but-3-yn-2-yl-3-(4-chlorophenyl)-1-methylurea,CC(C#C)N(C)C(=O)NC1=CC=C(C=C1)Cl,"InChI=1S/C12H13ClN2O/c1-4-9(2)15(3)12(16)14-11-7-5-10(13)6-8-11/h1,5-9H,2-3H3,(H,14,16)",BYYMILHAKOURNM-UHFFFAOYSA-N,C12H13ClN2O,236.7,236.0716407,3,32.3,289,0,1,1,2,16,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 2,4,6-TRICHLORO-, SODIUM SALT",003784-03-0,23678873,"sodium 2,4,6-trichlorophenolate",C1=C(C=C(C(=C1Cl)[O-])Cl)Cl.[Na+],"InChI=1S/C6H3Cl3O.Na/c7-3-1-4(8)6(10)5(9)2-3;/h1-2,10H;/q;+1/p-1",MWWVVWIHGYXNNR-UHFFFAOYSA-M,C6H2Cl3NaO,219.4,217.906892,,23.1,112,0,0,1,0,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1-CHLORO-4-(1,1-DIMETHYLETHYL)-",003972-56-3,77594,1-tert-butyl-4-chlorobenzene,CC(C)(C)C1=CC=C(C=C1)Cl,"InChI=1S/C10H13Cl/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3",XRTANKYQJQXSFP-UHFFFAOYSA-N,C10H13Cl,168.66,168.0705781,4.3,0,115,0,0,0,1,11,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N,3,5-TETRAMETHYLBENZENAMINE",004913-13-7,78625,"N,N,3,5-tetramethylaniline",CC1=CC(=CC(=C1)N(C)C)C,"InChI=1S/C10H15N/c1-8-5-9(2)7-10(6-8)11(3)4/h5-7H,1-4H3",NBFRQCOZERNGEX-UHFFFAOYSA-N,C10H15N,149.23,149.1204495,2.8,3.2,110,0,0,1,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"1,3-BENZENEDIAMINE, 4-NITRO-",005131-58-8,21208,"4-nitrobenzene-1,3-diamine",C1=CC(=C(C=C1N)N)[N+](=O)[O-],"InChI=1S/C6H7N3O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,7-8H2",DPIZKMGPXNXSGL-UHFFFAOYSA-N,C6H7N3O2,153.14,153.0538265,0.5,97.9,156,0,2,4,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,0
"1,4-BENZENEDIAMINE, 2-METHOXY",005307-02-8,21379,"2-methoxybenzene-1,4-diamine",COC1=C(C=CC(=C1)N)N,"InChI=1S/C7H10N2O/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,8-9H2,1H3",HGUYBLVGLMAUFF-UHFFFAOYSA-N,C7H10N2O,138.17,138.0793129,0.5,61.3,108,0,2,3,1,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"PHOSPHONIC ACID, (3-NITROPHENYL)-",005337-19-9,79264,(3-nitrophenyl)phosphonic acid,C1=CC(=CC(=C1)P(=O)(O)O)[N+](=O)[O-],"InChI=1S/C6H6NO5P/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H2,10,11,12)",OXWXINKWKITCIH-UHFFFAOYSA-N,C6H6NO5P,203.09,202.9983593,-0.2,103,244,0,2,5,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1-ETHOXY-2-ISOCYANATO-",005395-71-1,79374,1-ethoxy-2-isocyanatobenzene,CCOC1=CC=CC=C1N=C=O,"InChI=1S/C9H9NO2/c1-2-12-9-6-4-3-5-8(9)10-7-11/h3-6H,2H2,1H3",BUIQXUQLYZPMLS-UHFFFAOYSA-N,C9H9NO2,163.17,163.0633285,3.1,38.7,175,0,0,3,3,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"2-PROPANAMINE, 2-METHYL-N-(PHENYLMETHYLENE)-",006852-58-0,111240,N-tert-butyl-1-phenylmethanimine,CC(C)(C)N=CC1=CC=CC=C1,"InChI=1S/C11H15N/c1-11(2,3)12-9-10-7-5-4-6-8-10/h4-9H,1-3H3",KFLSWDVYGSSZRX-UHFFFAOYSA-N,C11H15N,161.24,161.1204495,2.5,12.4,147,0,0,1,2,12,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-(OCTYLPHENYL)-.OMEGA.-HYDROXY-",009063-89-2,18327116,2-(2-octylphenoxy)ethanol,CCCCCCCCC1=CC=CC=C1OCCO,"InChI=1S/C16H26O2/c1-2-3-4-5-6-7-10-15-11-8-9-12-16(15)18-14-13-17/h8-9,11-12,17H,2-7,10,13-14H2,1H3",GLDUZMNCEGHSBP-UHFFFAOYSA-N,C16H26O2,250.38,250.1932801,5.3,29.5,182,0,1,2,10,18,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEACETIC ACID, POTASSIUM SALT",013005-36-2,23675783,potassium 2-phenylacetate,C1=CC=C(C=C1)CC(=O)[O-].[K+],"InChI=1S/C8H8O2.K/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1",JFOZPCWVLIBFCH-UHFFFAOYSA-M,C8H7KO2,174.24,174.008311,,40.1,119,0,0,2,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1,2-DICHLORO-4-(TRICHLOROMETHYL)-",013014-24-9,25608,"1,2-dichloro-4-(trichloromethyl)benzene",C1=CC(=C(C=C1C(Cl)(Cl)Cl)Cl)Cl,"InChI=1S/C7H3Cl5/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H",ATYLRBXENHNROH-UHFFFAOYSA-N,C7H3Cl5,264.4,263.864788,5.3,0,152,0,0,0,0,12,"greater than 200 °F (NTP, 1992)","541.6 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 2-AMINO-5-METHOXY-",013244-33-2,83260,2-amino-5-methoxybenzenesulfonic acid,COC1=CC(=C(C=C1)N)S(=O)(=O)O,"InChI=1S/C7H9NO4S/c1-12-5-2-3-6(8)7(4-5)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)",KZKGEEGADAWJFS-UHFFFAOYSA-N,C7H9NO4S,203.22,203.0252289,0.5,98,258,0,2,5,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-(3-METHYLPHENOXY)-",013605-19-1,83611,2-(3-methylphenoxy)ethanol,CC1=CC(=CC=C1)OCCO,"InChI=1S/C9H12O2/c1-8-3-2-4-9(7-8)11-6-5-10/h2-4,7,10H,5-6H2,1H3",FDBXUXVQIOQYIX-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,2,29.5,104,0,1,2,3,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(3-IODOPHENYL)-",014452-30-3,84449,1-(3-iodophenyl)ethanone,CC(=O)C1=CC(=CC=C1)I,"InChI=1S/C8H7IO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3",IWLHOUBDKCKJJQ-UHFFFAOYSA-N,C8H7IO,246.04,245.95416,3,17.1,133,0,0,1,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONAMIDE, 4-METHYL-N-(METHYLSULFONYL)-",014653-91-9,84575,4-methyl-N-methylsulfonylbenzenesulfonamide,CC1=CC=C(C=C1)S(=O)(=O)NS(=O)(=O)C,"InChI=1S/C8H11NO4S2/c1-7-3-5-8(6-4-7)15(12,13)9-14(2,10)11/h3-6,9H,1-2H3",UOPITUDDUGJACT-UHFFFAOYSA-N,C8H11NO4S2,249.3,249.0129502,0.8,97.1,393,0,1,5,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"Propanoic acid, 2-(2,4-dichlorophenoxy)-, (R)-",015165-67-0,119435,"(2R)-2-(2,4-dichlorophenoxy)propanoic acid",C[C@H](C(=O)O)OC1=C(C=C(C=C1)Cl)Cl,"InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m1/s1",MZHCENGPTKEIGP-RXMQYKEDSA-N,C9H8Cl2O3,235.06,233.9850495,3.4,46.5,210,0,1,3,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"PHENOL, 4-CHLORO-3-METHYL-, SODIUM SALT",015733-22-9,23672305,sodium 4-chloro-3-methylphenolate,CC1=C(C=CC(=C1)[O-])Cl.[Na+],"InChI=1S/C7H7ClO.Na/c1-5-4-6(9)2-3-7(5)8;/h2-4,9H,1H3;/q;+1/p-1",DPHAGKRZIJHMNL-UHFFFAOYSA-M,C7H6ClNaO,164.56,164.0004868,,23.1,99,0,0,1,0,10,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"BENZENAMINE, 4-NITRO-, MONOHYDROCHLORIDE",015873-51-5,85156,4-nitroaniline;hydrochloride,C1=CC(=CC=C1N)[N+](=O)[O-].Cl,"InChI=1S/C6H6N2O2.ClH/c7-5-1-3-6(4-2-5)8(9)10;/h1-4H,7H2;1H",LNJUVOPKIUQOQK-UHFFFAOYSA-N,C6H7ClN2O2,174.58,174.0196052,,71.8,124,0,2,3,0,11,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,1
"PROPANAMIDE, 3-[(PHENYLMETHYL)AMINO]-",016490-80-5,85451,3-(benzylamino)propanamide,C1=CC=C(C=C1)CNCCC(=O)N,"InChI=1S/C10H14N2O/c11-10(13)6-7-12-8-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H2,11,13)",GGJZFUWYCGSBCO-UHFFFAOYSA-N,C10H14N2O,178.23,178.1106131,0.1,55.1,153,0,2,2,5,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-(1,1-DIMETHYLETHYL)-, POTASSIUM SALT",016518-26-6,23672309,potassium 4-tert-butylbenzoate,CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].[K+],"InChI=1S/C11H14O2.K/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h4-7H,1-3H3,(H,12,13);/q;+1/p-1",GAJCVIMKCAZHEO-UHFFFAOYSA-M,C11H13KO2,216.32,216.0552611,,40.1,188,0,0,2,2,14,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"2-PROPENOIC ACID, 2-HYDROXY-3-PHENOXYPROPYL ESTER",016969-10-1,4443516,(2-hydroxy-3-phenoxypropyl) prop-2-enoate,C=CC(=O)OCC(COC1=CC=CC=C1)O,"InChI=1S/C12H14O4/c1-2-12(14)16-9-10(13)8-15-11-6-4-3-5-7-11/h2-7,10,13H,1,8-9H2",HHQAGBQXOWLTLL-UHFFFAOYSA-N,C12H14O4,222.24,222.0892089,1.8,55.8,221,0,1,4,7,16,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"BENZENESULFONIC ACID, 4-ISOTHIOCYANATO-, SODIUM SALT",017614-69-6,23666321,sodium 4-isothiocyanatobenzenesulfonate,C1=CC(=CC=C1N=C=S)S(=O)(=O)[O-].[Na+],"InChI=1S/C7H5NO3S2.Na/c9-13(10,11)7-3-1-6(2-4-7)8-5-12;/h1-4H,(H,9,10,11);/q;+1/p-1",XYARUYHGTRIFSR-UHFFFAOYSA-M,C7H4NNaO3S2,237.2,236.9530296,,110,310,0,0,5,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"PHENOL, 2,4-DICHLORO-3-METHYL-",017788-00-0,87305,"2,4-dichloro-3-methylphenol",CC1=C(C=CC(=C1Cl)O)Cl,"InChI=1S/C7H6Cl2O/c1-4-5(8)2-3-6(10)7(4)9/h2-3,10H,1H3",GIXSFSVVKULPEK-UHFFFAOYSA-N,C7H6Cl2O,177.02,175.9795702,3.2,20.2,118,0,1,1,0,10,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 4-(HEXYLOXY)-",018979-55-0,29354,4-hexoxyphenol,CCCCCCOC1=CC=C(C=C1)O,"InChI=1S/C12H18O2/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9,13H,2-5,10H2,1H3",XIIIHRLCKLSYNH-UHFFFAOYSA-N,C12H18O2,194.27,194.1306798,4,29.5,128,0,1,2,6,14,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2,6-BIS[[BIS(2-HYDROXYETHYL)AMINO]METHYL]-4-NONYL-",020073-51-2,88354,"2,6-bis[[bis(2-hydroxyethyl)amino]methyl]-4-nonylphenol",CCCCCCCCCC1=CC(=C(C(=C1)CN(CCO)CCO)O)CN(CCO)CCO,"InChI=1S/C25H46N2O5/c1-2-3-4-5-6-7-8-9-22-18-23(20-26(10-14-28)11-15-29)25(32)24(19-22)21-27(12-16-30)13-17-31/h18-19,28-32H,2-17,20-21H2,1H3",HUFXECXTFFUYQG-UHFFFAOYSA-N,C25H46N2O5,454.6,454.3406726,3.1,108,389,0,5,7,20,32,,,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,1,1,0
"BENZENESULFONIC ACID, 2-METHYL-, METHYL ESTER",023373-38-8,90076,methyl 2-methylbenzenesulfonate,CC1=CC=CC=C1S(=O)(=O)OC,"InChI=1S/C8H10O3S/c1-7-5-3-4-6-8(7)12(9,10)11-2/h3-6H,1-2H3",AXCVRQKOVCRCIX-UHFFFAOYSA-N,C8H10O3S,186.23,186.0350654,1.6,51.8,227,0,0,3,2,12,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,1
"PHENOL, 3-(CHLOROMETHYL)-6-(1,1-DIMETHYLETHYL)-2,4-DIMETHYL-",023500-79-0,90131,"6-tert-butyl-3-(chloromethyl)-2,4-dimethylphenol",CC1=CC(=C(C(=C1CCl)C)O)C(C)(C)C,"InChI=1S/C13H19ClO/c1-8-6-11(13(3,4)5)12(15)9(2)10(8)7-14/h6,15H,7H2,1-5H3",WODZSHMAILHEGD-UHFFFAOYSA-N,C13H19ClO,226.74,226.1124429,4.4,20.2,209,0,1,1,2,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1,2-BIS(DICHLOROMETHYL)-",025641-99-0,117576,"1,2-bis(dichloromethyl)benzene",C1=CC=C(C(=C1)C(Cl)Cl)C(Cl)Cl,"InChI=1S/C8H6Cl4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,7-8H",UFJYKWQUTDGGPV-UHFFFAOYSA-N,C8H6Cl4,243.9,243.919411,4.1,0,119,0,0,0,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"29-(NONYLPHENOXY)-3,6,9,12,15,18,21,24,27-NONAOXANONACOSAN-1-OL",027177-08-8,117941,2-[2-[2-[2-[2-[2-[2-[2-[3-(3-nonylphenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethanol,CCCCCCCCCC1=CC(=CC=C1)OCCCOCCOCCOCCOCCOCCOCCOCCOCCOCO,"InChI=1S/C35H64O11/c1-2-3-4-5-6-7-8-11-34-12-9-13-35(32-34)46-15-10-14-37-16-17-38-18-19-39-20-21-40-22-23-41-24-25-42-26-27-43-28-29-44-30-31-45-33-36/h9,12-13,32,36H,2-8,10-11,14-31,33H2,1H3",BSZNKPSUDHKEJN-UHFFFAOYSA-N,C35H64O11,660.9,660.4448629,4.9,113,573,0,1,11,38,46,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,2-BENZENEDIOL, (1,1-DIMETHYLETHYL)-",027213-78-1,77643,"3-tert-butylbenzene-1,2-diol",CC(C)(C)C1=C(C(=CC=C1)O)O,"InChI=1S/C10H14O2/c1-10(2,3)7-5-4-6-8(11)9(7)12/h4-6,11-12H,1-3H3",JIGUICYYOYEXFS-UHFFFAOYSA-N,C10H14O2,166.22,166.0993797,2.9,40.5,148,0,2,2,1,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"PHENOL, NONYL-, POTASSIUM SALT",027936-43-2,23688932,potassium 2-nonylphenolate,CCCCCCCCCC1=CC=CC=C1[O-].[K+],"InChI=1S/C15H24O.K/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h9-10,12-13,16H,2-8,11H2,1H3;/q;+1/p-1",XPCLSVISJWLKJE-UHFFFAOYSA-M,C15H23KO,258.44,258.1385968,,23.1,161,0,0,1,8,17,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0
ETHENYLETHYLBENZENE,028106-30-1,24218,1-ethenyl-2-ethylbenzene,CCC1=CC=CC=C1C=C,"InChI=1S/C10H12/c1-3-9-7-5-6-8-10(9)4-2/h3,5-8H,1,4H2,2H3",VTPNYMSKBPZSTF-UHFFFAOYSA-N,C10H12,132.2,132.0939004,3.5,0,105,0,0,0,2,10,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 2-CHLORO-4-ISOCYANATO-1-METHYL-",028479-22-3,62832,2-chloro-4-isocyanato-1-methylbenzene,CC1=C(C=C(C=C1)N=C=O)Cl,"InChI=1S/C8H6ClNO/c1-6-2-3-7(10-5-11)4-8(6)9/h2-4H,1H3",UKTKKMZDESVUEE-UHFFFAOYSA-N,C8H6ClNO,167.59,167.0137915,4.4,29.4,177,0,0,2,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"BENZENESULFONIC ACID, DODECYL-, COMPD. WITH N,N-DIETHYLETHANAMINE (1:1)",029061-63-0,21271047,"N,N-diethylethanamine;2-dodecylbenzenesulfonic acid",CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCN(CC)CC,"InChI=1S/C18H30O3S.C6H15N/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-4-7(5-2)6-3/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);4-6H2,1-3H3",FPVUZQOOXYYCIH-UHFFFAOYSA-N,C24H45NO3S,427.7,427.3120155,,66,385,0,1,4,15,29,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydratropic acid, p-isobutyl-, sodium salt",031121-93-4,5338317,sodium 2-[4-(2-methylpropyl)phenyl]propanoate,CC(C)CC1=CC=C(C=C1)C(C)C(=O)[O-].[Na+],"InChI=1S/C13H18O2.Na/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;/h4-7,9-10H,8H2,1-3H3,(H,14,15);/q;+1/p-1",PTTPUWGBPLLBKW-UHFFFAOYSA-M,C13H17NaO2,228.26,228.1126241,,40.1,208,0,0,2,4,16,,,0,1,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,1
"BUTANAMIDE, 2-CHLORO-3-OXO-N-PHENYL-",031844-92-5,160212,2-chloro-3-oxo-N-phenylbutanamide,CC(=O)C(C(=O)NC1=CC=CC=C1)Cl,"InChI=1S/C10H10ClNO2/c1-7(13)9(11)10(14)12-8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,14)",LBHYOONLWAWEAA-UHFFFAOYSA-N,C10H10ClNO2,211.64,211.0400063,2.2,46.2,224,0,1,2,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphorodithioic acid, O-(2,4-dichlorophenyl) O-ethyl S-propyl ester",034643-46-4,36870,"(2,4-dichlorophenoxy)-ethoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane",CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl,"InChI=1S/C11H15Cl2O2PS2/c1-3-7-18-16(17,14-4-2)15-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3",FITIWKDOCAUBQD-UHFFFAOYSA-N,C11H15Cl2O2PS2,345.2,343.9628144,4.9,75.9,294,0,0,4,7,18,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1-ISOCYANATO-4-(TRIFLUOROMETHOXY)-",035037-73-1,92298,1-isocyanato-4-(trifluoromethoxy)benzene,C1=CC(=CC=C1N=C=O)OC(F)(F)F,"InChI=1S/C8H4F3NO2/c9-8(10,11)14-7-3-1-6(2-4-7)12-5-13/h1-4H",LGPKFIGMLPDYEA-UHFFFAOYSA-N,C8H4F3NO2,203.12,203.0194129,3.9,38.7,227,0,0,6,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
".ALPHA.-(ISONONYLPHENYL)-.OMEGA.-HYDROXYPOLY(OXY-1,2-ETHANEDIYL)",037205-87-1,92035818,1-ethoxy-4-(7-methyloctyl)benzene,CCOC1=CC=C(C=C1)CCCCCCC(C)C,"InChI=1S/C17H28O/c1-4-18-17-13-11-16(12-14-17)10-8-6-5-7-9-15(2)3/h11-15H,4-10H2,1-3H3",IRTXCPKNZUZNMH-UHFFFAOYSA-N,C17H28O,248.4,248.2140155,6.6,9.2,180,0,0,1,9,18,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, DODECYL-, COMPD. WITH 2-AMINO-2-METHYL-1-PROPANOL (1:1)",037475-84-6,162261,2-amino-2-methylpropan-1-ol;2-dodecylbenzenesulfonic acid,CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CC(C)(CO)N,"InChI=1S/C18H30O3S.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-4(2,5)3-6/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);6H,3,5H2,1-2H3",VXMUUMWPUFLERR-UHFFFAOYSA-N,C22H41NO4S,415.6,415.27563,,109,402,0,3,5,13,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOIC ACID, 2-HYDROXY-, DILITHIUM SALT",038970-76-2,102269417,dilithium;2-oxidobenzoate,[Li+].[Li+].C1=CC=C(C(=C1)C(=O)[O-])[O-],"InChI=1S/C7H6O3.2Li/c8-6-4-2-1-3-5(6)7(9)10;;/h1-4,8H,(H,9,10);;/q;2*+1/p-2",NPTSWMBEYKOLBV-UHFFFAOYSA-L,C7H4Li2O3,150,150.0480509,,63.2,127,0,0,3,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEACETYL CHLORIDE, .ALPHA.-AMINO-, HYDROCHLORIDE, (R)-",039878-87-0,170253,(2R)-2-amino-2-phenylacetyl chloride;hydrochloride,C1=CC=C(C=C1)[C@H](C(=O)Cl)N.Cl,"InChI=1S/C8H8ClNO.ClH/c9-8(11)7(10)6-4-2-1-3-5-6;/h1-5,7H,10H2;1H/t7-;/m1./s1",GVVFCAFBYHYGEE-OGFXRTJISA-N,C8H9Cl2NO,206.07,205.0061193,,43.1,143,0,2,2,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,1,1,0,0
"Benzenesulfonic acid, alkyl deriv., linear",042615-29-2,16649,4-dodecan-2-ylbenzenesulfonic acid,CCCCCCCCCCC(C)C1=CC=C(C=C1)S(=O)(=O)O,"InChI=1S/C18H30O3S/c1-3-4-5-6-7-8-9-10-11-16(2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)",CJTZDYDOPZRFTF-UHFFFAOYSA-N,C18H30O3S,326.5,326.191566,6.7,62.8,364,0,1,3,11,22,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 2-CHLORO-1,4-DIETHOXY-",052196-74-4,40273,"2-chloro-1,4-diethoxybenzene",CCOC1=CC(=C(C=C1)OCC)Cl,"InChI=1S/C10H13ClO2/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h5-7H,3-4H2,1-2H3",ZIMKMIAIVORSSX-UHFFFAOYSA-N,C10H13ClO2,200.66,200.0604073,3.4,18.5,141,0,0,2,4,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propanamide, 2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)-",052806-53-8,91649,2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide,CC(C)(C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F)O,"InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)",YPQLFJODEKMJEF-UHFFFAOYSA-N,C11H11F3N2O4,292.21,292.0670913,2.2,95.2,392,0,2,7,2,20,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,1
.GAMMA.-METHYLBENZENEPENTANOL,055066-48-3,108312,3-methyl-5-phenylpentan-1-ol,CC(CCC1=CC=CC=C1)CCO,"InChI=1S/C12H18O/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3",OXYRENDGHPGWKV-UHFFFAOYSA-N,C12H18O,178.27,178.1357652,3.2,20.2,116,0,1,1,5,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"GLYCINE, N-[(2-HYDROXY-5-NONYLPHENYL)METHYL]-N-METHYL-, MONOSODIUM SALT",056968-08-2,23692775,sodium 2-[(2-hydroxy-5-nonylphenyl)methyl-methylamino]acetate,CCCCCCCCCC1=CC(=C(C=C1)O)CN(C)CC(=O)[O-].[Na+],"InChI=1S/C19H31NO3.Na/c1-3-4-5-6-7-8-9-10-16-11-12-18(21)17(13-16)14-20(2)15-19(22)23;/h11-13,21H,3-10,14-15H2,1-2H3,(H,22,23);/q;+1/p-1",XKGBTJJNMMJRDL-UHFFFAOYSA-M,C19H30NNaO3,343.4,343.2123381,,63.6,328,0,1,4,12,24,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,0
"3-BUTEN-2-OL, 2-METHYL-4-PHENYL-, (E)-",057132-28-2,6282889,(E)-2-methyl-4-phenylbut-3-en-2-ol,CC(C)(/C=C/C1=CC=CC=C1)O,"InChI=1S/C11H14O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-9,12H,1-2H3/b9-8+",AHTMRLFEKXDXJS-CMDGGOBGSA-N,C11H14O,162.23,162.1044651,2.3,20.2,152,0,1,1,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 4-DODECYL-, COMPD. WITH 2-AMINOETHANOL (1:1)",058089-99-9,162847,2-aminoethanol;4-dodecylbenzenesulfonic acid,CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.C(CO)N,"InChI=1S/C18H30O3S.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;3-1-2-4/h13-16H,2-12H2,1H3,(H,19,20,21);4H,1-3H2",FYEJWUXIXSNIDI-UHFFFAOYSA-N,C20H37NO4S,387.6,387.2443298,,109,361,0,3,5,13,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEPROPANAL, 3-(1,1-DIMETHYLETHYL)-.ALPHA.-METHYL-",062518-65-4,112494,3-(3-tert-butylphenyl)-2-methylpropanal,CC(CC1=CC(=CC=C1)C(C)(C)C)C=O,"InChI=1S/C14H20O/c1-11(10-15)8-12-6-5-7-13(9-12)14(2,3)4/h5-7,9-11H,8H2,1-4H3",GLZRHVTZLDNUQP-UHFFFAOYSA-N,C14H20O,204.31,204.1514153,3.9,17.1,202,0,0,1,4,15,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,1,0,0
"BENZALDEHYDE, 2-HYDROXY-5-NONYL-",063753-10-6,114222,2-hydroxy-5-nonylbenzaldehyde,CCCCCCCCCC1=CC(=C(C=C1)O)C=O,"InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-14-10-11-16(18)15(12-14)13-17/h10-13,18H,2-9H2,1H3",JYWIGMQDJSGOMD-UHFFFAOYSA-N,C16H24O2,248.36,248.17763,6.2,37.3,215,0,1,2,9,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0
"METHANESULFONAMIDE, N-[4-(CHLOROACETYL)PHENYL]-",064488-52-4,116629,N-[4-(2-chloroacetyl)phenyl]methanesulfonamide,CS(=O)(=O)NC1=CC=C(C=C1)C(=O)CCl,"InChI=1S/C9H10ClNO3S/c1-15(13,14)11-8-4-2-7(3-5-8)9(12)6-10/h2-5,11H,6H2,1H3",DRQKKEYKSSAVTO-UHFFFAOYSA-N,C9H10ClNO3S,247.7,247.006992,1.5,71.6,315,0,1,4,4,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANOIC ACID, 2-HYDROXY-, COMPD. WITH 3-[2-(DIMETHYLAMINO)ETHYL] 1-(2-ETHYLH",068227-46-3,6437503,2-ethylhexyl N-[3-[2-(dimethylamino)ethoxycarbonylamino]-4-methylphenyl]carbamate;2-hydroxypropanoic acid,CCCCC(CC)COC(=O)NC1=CC(=C(C=C1)C)NC(=O)OCCN(C)C.CC(C(=O)O)O,"InChI=1S/C21H35N3O4.C3H6O3/c1-6-8-9-17(7-2)15-28-20(25)22-18-11-10-16(3)19(14-18)23-21(26)27-13-12-24(4)5;1-2(4)3(5)6/h10-11,14,17H,6-9,12-13,15H2,1-5H3,(H,22,25)(H,23,26);2,4H,1H3,(H,5,6)",HYNJGJWCXRMUIG-UHFFFAOYSA-N,C24H41N3O7,483.6,483.2944507,,137,518,0,4,8,14,34,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-[(1,1,3,3-TETRAMETHYLBUTYL)PHENYL]-.OMEGA.-H",068310-57-6,24775,"2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol",CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCO,"InChI=1S/C18H30O3/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)21-13-12-20-11-10-19/h6-9,19H,10-14H2,1-5H3",LBCZOTMMGHGTPH-UHFFFAOYSA-N,C18H30O3,294.4,294.2194948,4.5,38.7,273,0,1,3,9,21,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0
"2-PROPANOL, 1-[BIS[2-[(1,3-DIMETHYLBUTYLIDENE)AMINO]ETHYL]AMINO]-3-PHENOXY-",068541-07-1,109460,1-[bis[2-(4-methylpentan-2-ylideneamino)ethyl]amino]-3-phenoxypropan-2-ol,CC(C)CC(=NCCN(CCN=C(C)CC(C)C)CC(COC1=CC=CC=C1)O)C,"InChI=1S/C25H43N3O2/c1-20(2)16-22(5)26-12-14-28(15-13-27-23(6)17-21(3)4)18-24(29)19-30-25-10-8-7-9-11-25/h7-11,20-21,24,29H,12-19H2,1-6H3",JSDNIAKHCKUYDD-UHFFFAOYSA-N,C25H43N3O2,417.6,417.3355276,3.5,57.4,467,0,1,5,15,30,,,0,0,1,1,0,1,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"BENZENESULFONYL CHLORIDE, 2,3-DIMETHYL-5-NITRO-",068631-04-9,111492,"2,3-dimethyl-5-nitrobenzenesulfonyl chloride",CC1=CC(=CC(=C1C)S(=O)(=O)Cl)[N+](=O)[O-],"InChI=1S/C8H8ClNO4S/c1-5-3-7(10(11)12)4-8(6(5)2)15(9,13)14/h3-4H,1-2H3",VPPPQFAKKFQYGQ-UHFFFAOYSA-N,C8H8ClNO4S,249.67,248.9862566,2.5,88.3,345,0,0,4,1,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, DODECYL-, COMPD. WITH 2-(DIMETHYLAMINO)-2-METHYL-1-PROPA",068833-66-9,111629,2-(dimethylamino)-2-methylpropan-1-ol;2-dodecylbenzenesulfonic acid,CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CC(C)(CO)N(C)C,"InChI=1S/C18H30O3S.C6H15NO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-6(2,5-8)7(3)4/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);8H,5H2,1-4H3",CCHRXJYUOCYMDC-UHFFFAOYSA-N,C24H45NO4S,443.7,443.3069301,,86.2,428,0,2,5,14,30,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(2-METHYL-4,6-DINITROPHENOLATO-O1)(NITRATO-O)-.MU.-OXODILEAD, MONOHYDRATE",079357-62-3,138395819,"(2-methyl-4,6-dinitrophenoxy)plumbyloxyplumbyl nitrate;hydrate",CC1=CC(=CC(=C1O[PbH2]O[PbH2]O[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].O,"InChI=1S/C7H6N2O5.NO3.H2O.O.2Pb.4H/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14;2-1(3)4;;;;;;;;/h2-3,10H,1H3;;1H2;;;;;;;/q;-1;;;2*+1;;;;/p-1",CIHFIWZYYUTEQG-UHFFFAOYSA-M,C7H11N3O10Pb2,710,712.99775,,166,394,0,1,10,5,22,,,0,0,0,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
((2-CHLOROETHYL)THIO)BENZENE,005535-49-9,21702,2-chloroethylsulfanylbenzene,C1=CC=C(C=C1)SCCCl,"InChI=1S/C8H9ClS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2",QDXIHHOPZFCEAP-UHFFFAOYSA-N,C8H9ClS,172.68,172.0113492,3.4,25.3,79,0,0,1,3,10,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, PENTADECYL-",061215-89-2,43583,3-pentadecylbenzenesulfonic acid,CCCCCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)O,"InChI=1S/C21H36O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(19-20)25(22,23)24/h15,17-19H,2-14,16H2,1H3,(H,22,23,24)",MBDQFQLDCSXTMQ-UHFFFAOYSA-N,C21H36O3S,368.6,368.2385162,8.5,62.8,400,0,1,3,15,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,4,6-TRICHLOROPHENOL",000088-06-2,6914,"2,4,6-trichlorophenol",C1=C(C=C(C(=C1Cl)O)Cl)Cl,"InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H",LINPIYWFGCPVIE-UHFFFAOYSA-N,C6H3Cl3O,197.4,195.924948,3.7,20.2,108,0,1,1,0,10,99 °C c.c.,"475 °F at 760 mmHg (NTP, 1992)",1,0,0,1,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,2,4-TRICHLOROBENZENE",000120-82-1,13,"1,2,4-trichlorobenzene",C1=CC(=C(C=C1Cl)Cl)Cl,InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H,PBKONEOXTCPAFI-UHFFFAOYSA-N,C6H3Cl3,181.4,179.930033,4,0,94,0,0,0,0,9,"230 °F (NTP, 1992)","415 °F at 760 mmHg (NTP, 1992)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
IODOBENZENE,000591-50-4,11575,iodobenzene,C1=CC=C(C=C1)I,InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H,SNHMUERNLJLMHN-UHFFFAOYSA-N,C6H5I,204.01,203.9436,3.2,0,46,0,0,0,0,7,77 °C (171 °F) - closed cup,188.4 °C,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
SALICYLATE,000054-21-7,16760658,sodium 2-hydroxybenzoate,C1=CC=C(C(=C1)C(=O)[O-])O.[Na+],"InChI=1S/C7H6O3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1",ABBQHOQBGMUPJH-UHFFFAOYSA-M,C7H5NaO3,160.1,160.0136383,,60.4,138,0,1,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
M-AMINOBENZOIC ACID,000099-05-8,7419,3-aminobenzoic acid,C1=CC(=CC(=C1)N)C(=O)O,"InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)",XFDUHJPVQKIXHO-UHFFFAOYSA-N,C7H7NO2,137.14,137.0476785,0.1,63.3,136,0,2,3,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PARA-ANISIC ACID,000100-09-4,7478,4-methoxybenzoic acid,COC1=CC=C(C=C1)C(=O)O,"InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)",ZEYHEAKUIGZSGI-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,2,46.5,136,0,1,3,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DINITROBENZOIC ACID",000099-34-3,7433,"3,5-dinitrobenzoic acid",C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,"InChI=1S/C7H4N2O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)",VYWYYJYRVSBHJQ-UHFFFAOYSA-N,C7H4N2O6,212.12,212.0069359,1.5,129,271,0,1,6,1,15,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
M-HYDROXYBENZOIC ACID,000099-06-9,7420,3-hydroxybenzoic acid,C1=CC(=CC(=C1)O)C(=O)O,"InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)",IJFXRHURBJZNAO-UHFFFAOYSA-N,C7H6O3,138.12,138.031694,1.5,57.5,133,0,2,3,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
O-TOLUIC ACID,000118-90-1,8373,2-methylbenzoic acid,CC1=CC=CC=C1C(=O)O,"InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)",ZWLPBLYKEWSWPD-UHFFFAOYSA-N,C8H8O2,136.15,136.0524295,2.5,37.3,131,0,1,2,1,10,,"496 to 498 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-NITROBENZYL ALCOHOL,000619-73-8,69275,(4-nitrophenyl)methanol,C1=CC(=CC=C1CO)[N+](=O)[O-],"InChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2",JKTYGPATCNUWKN-UHFFFAOYSA-N,C7H7NO3,153.14,153.0425931,1.3,66.1,135,0,1,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
O-HYDROXYACETOPHENONE,000118-93-4,8375,1-(2-hydroxyphenyl)ethanone,CC(=O)C1=CC=CC=C1O,"InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3",JECYUBVRTQDVAT-UHFFFAOYSA-N,C8H8O2,136.15,136.0524295,1.9,37.3,131,0,1,2,1,10,,213.00 °C. @ 717.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-NITRO-1,2-DIAMINOBENZENE",000099-56-9,5111791,"4-nitrobenzene-1,2-diamine",C1=CC(=C(C=C1[N+](=O)[O-])N)N,"InChI=1S/C6H7N3O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,7-8H2",RAUWPNXIALNKQM-UHFFFAOYSA-N,C6H7N3O2,153.14,153.0538265,0.9,97.9,156,0,2,4,0,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
ALPHA-METHYLBENZYL ALCOHOL,000098-85-1,7409,1-phenylethanol,CC(C1=CC=CC=C1)O,"InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3",WAPNOHKVXSQRPX-UHFFFAOYSA-N,C8H10O,122.16,122.0731649,1.4,20.2,74,0,1,1,1,9,"185 °F (NTP, 1992)","399 °F at 745 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
4-METHOXYPHENOL,000150-76-5,9015,4-methoxyphenol,COC1=CC=C(C=C1)O,"InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3",NWVVVBRKAWDGAB-UHFFFAOYSA-N,C7H8O2,124.14,124.0524295,1.3,29.5,75,0,1,2,1,9,"269.6 °F (NTP, 1992)","475 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
M-PHTHALODINITRILE,000626-17-5,12276,"benzene-1,3-dicarbonitrile",C1=CC(=CC(=C1)C#N)C#N,InChI=1S/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,LAQPNDIUHRHNCV-UHFFFAOYSA-N,C8H4N2,128.13,128.0374481,0.8,47.6,180,0,0,2,0,10,>150 °C,"Sublimes (NIOSH, 2024)",0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,4,5-TETRACHLOROBENZENE",000095-94-3,7270,"1,2,4,5-tetrachlorobenzene",C1=C(C(=CC(=C1Cl)Cl)Cl)Cl,InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H,JHBKHLUZVFWLAG-UHFFFAOYSA-N,C6H2Cl4,215.9,215.888111,4.6,0,90,0,0,0,0,10,"311 °F (NTP, 1992)","464 to 475 °F at 760 mmHg (NTP, 1992)",1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,5-T",000093-76-5,1480,"2-(2,4,5-trichlorophenoxy)acetic acid",C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)O,"InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)",SMYMJHWAQXWPDB-UHFFFAOYSA-N,C8H5Cl3O3,255.5,253.930427,3.3,46.5,212,0,1,3,3,14,,"Decomposes (NTP, 1992)",1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"P-NITROPHENYLPHOSPHATE, DISODIUM SALT",004264-83-9,77949,disodium;(4-nitrophenyl) phosphate,C1=CC(=CC=C1[N+](=O)[O-])OP(=O)([O-])[O-].[Na+].[Na+],"InChI=1S/C6H6NO6P.2Na/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;;/h1-4H,(H2,10,11,12);;/q;2*+1/p-2",VIYFPAMJCJLZKD-UHFFFAOYSA-L,C6H4NNa2O6P,263.05,262.9571624,,118,238,0,0,6,1,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-PHENYLETHYL ALCOHOL,000060-12-8,6054,2-phenylethanol,C1=CC=C(C=C1)CCO,"InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2",WRMNZCZEMHIOCP-UHFFFAOYSA-N,C8H10O,122.16,122.0731649,1.4,20.2,65,0,1,1,2,9,102 °C,218.2 °C AT 760 MM HG,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ACETOACETANILIDE,000102-01-2,7592,3-oxo-N-phenylbutanamide,CC(=O)CC(=O)NC1=CC=CC=C1,"InChI=1S/C10H11NO2/c1-8(12)7-10(13)11-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13)",DYRDKSSFIWVSNM-UHFFFAOYSA-N,C10H11NO2,177.2,177.0789786,1.5,46.2,195,0,1,2,3,13,"325 °F (NTP, 1992)","Decomposes (NTP, 1992)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
BENZAMIDE,000055-21-0,2331,benzamide,C1=CC=C(C=C1)C(=O)N,"InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)",KXDAEFPNCMNJSK-UHFFFAOYSA-N,C7H7NO,121.14,121.0527638,0.6,43.1,105,0,1,1,1,9,,"554 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
O-CHLOROBENZOIC ACID,000118-91-2,8374,2-chlorobenzoic acid,C1=CC=C(C(=C1)C(=O)O)Cl,"InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)",IKCLCGXPQILATA-UHFFFAOYSA-N,C7H5ClO2,156.56,155.9978071,2.1,37.3,136,0,1,2,1,10,,"Sublimes (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-CHLOROPHENOXYACETIC ACID,000122-88-3,26229,2-(4-chlorophenoxy)acetic acid,C1=CC(=CC=C1OCC(=O)O)Cl,"InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)",SODPIMGUZLOIPE-UHFFFAOYSA-N,C8H7ClO3,186.59,186.0083718,2.2,46.5,152,0,1,3,3,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
P-HYDROXYACETOPHENONE,000099-93-4,7469,1-(4-hydroxyphenyl)ethanone,CC(=O)C1=CC=C(C=C1)O,"InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3",TXFPEBPIARQUIG-UHFFFAOYSA-N,C8H8O2,136.15,136.0524295,1.4,37.3,123,0,1,2,1,10,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
PHENYLUREA,000064-10-8,6145,phenylurea,C1=CC=C(C=C1)NC(=O)N,"InChI=1S/C7H8N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)",LUBJCRLGQSPQNN-UHFFFAOYSA-N,C7H8N2O,136.15,136.0636629,0.8,55.1,119,0,2,1,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PHENYL ACETATE,000122-79-2,31229,phenyl acetate,CC(=O)OC1=CC=CC=C1,"InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3",IPBVNPXQWQGGJP-UHFFFAOYSA-N,C8H8O2,136.15,136.0524295,1.5,26.3,114,0,0,2,2,10,"176 °F (NFPA, 2010)",196 °C,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
PHTHALAMIDE,000088-96-0,6956,"benzene-1,2-dicarboxamide",C1=CC=C(C(=C1)C(=O)N)C(=O)N,"InChI=1S/C8H8N2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,(H2,9,11)(H2,10,12)",NAYYNDKKHOIIOD-UHFFFAOYSA-N,C8H8N2O2,164.16,164.0585775,-1.7,86.2,181,0,2,2,2,12,,"Decomposes (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SALICYLAMIDE,000065-45-2,5147,2-hydroxybenzamide,C1=CC=C(C(=C1)C(=O)N)O,"InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)",SKZKKFZAGNVIMN-UHFFFAOYSA-N,C7H7NO2,137.14,137.0476785,1.3,63.3,136,0,2,2,1,10,,"518 °F at 760 mmHg (decomposes) (NTP, 1992)",0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-FLUORO-2-NITROTOLUENE,000446-33-3,94956,4-fluoro-2-methyl-1-nitrobenzene,CC1=C(C=CC(=C1)F)[N+](=O)[O-],"InChI=1S/C7H6FNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3",JHFOWEGCZWLHNW-UHFFFAOYSA-N,C7H6FNO2,155.13,155.0382566,2.9,45.8,157,0,0,3,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-FLUORO-2-NITROTOLUENE,000446-10-6,67965,4-fluoro-1-methyl-2-nitrobenzene,CC1=C(C=C(C=C1)F)[N+](=O)[O-],"InChI=1S/C7H6FNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3",SKWTUNAAJNDEIK-UHFFFAOYSA-N,C7H6FNO2,155.13,155.0382566,2.5,45.8,157,0,0,3,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-NITRO-M-XYLENE,000089-87-2,6991,"2,4-dimethyl-1-nitrobenzene",CC1=CC(=C(C=C1)[N+](=O)[O-])C,"InChI=1S/C8H9NO2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3",BBUPBICWUURTNP-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,2.7,45.8,153,0,0,2,0,11,"225 °F (NTP, 1992)","459 to 462 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-NITROBENZYL ALCOHOL,000619-25-0,69267,(3-nitrophenyl)methanol,C1=CC(=CC(=C1)[N+](=O)[O-])CO,"InChI=1S/C7H7NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9H,5H2",CWNPOQFCIIFQDM-UHFFFAOYSA-N,C7H7NO3,153.14,153.0425931,1.2,66.1,143,0,1,3,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-NITROBENZALDEHYDE,000099-61-6,7449,3-nitrobenzaldehyde,C1=CC(=CC(=C1)[N+](=O)[O-])C=O,InChI=1S/C7H5NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H,ZETIVVHRRQLWFW-UHFFFAOYSA-N,C7H5NO3,151.12,151.026943,1.5,62.9,164,0,0,3,1,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
2-NITROBENZYL ALCOHOL,000612-25-9,11923,(2-nitrophenyl)methanol,C1=CC=C(C(=C1)CO)[N+](=O)[O-],"InChI=1S/C7H7NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2",BWRBVBFLFQKBPT-UHFFFAOYSA-N,C7H7NO3,153.14,153.0425931,1.2,66.1,143,0,1,3,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-ISOPRENALINE,000051-31-0,443372,"4-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol",CC(C)NC[C@@H](C1=CC(=C(C=C1)O)O)O,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m0/s1",JWZZKOKVBUJMES-NSHDSACASA-N,C11H17NO3,211.26,211.1208434,-0.6,72.7,187,0,4,4,4,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,6-DIMETHOXYPHENOL",000091-10-1,7041,"2,6-dimethoxyphenol",COC1=C(C(=CC=C1)OC)O,"InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3",KLIDCXVFHGNTTM-UHFFFAOYSA-N,C8H10O3,154.16,154.0629942,1.1,38.7,104,0,1,3,2,11,,260.00 to 261.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CARVACROL,000499-75-2,10364,2-methyl-5-propan-2-ylphenol,CC1=C(C=C(C=C1)C(C)C)O,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3",RECUKUPTGUEGMW-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,3.1,20.2,120,0,1,1,1,11,100 °C,237-238 °C @ 760 MM HG,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
3-CHLORO-P-ANISIDINE,005345-54-0,21441,3-chloro-4-methoxyaniline,COC1=C(C=C(C=C1)N)Cl,"InChI=1S/C7H8ClNO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3",XQVCBOLNTSUFGD-UHFFFAOYSA-N,C7H8ClNO,157.6,157.0294416,2,35.3,110,0,1,2,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZYL METHYL SULFIDE,000766-92-7,13016,methylsulfanylmethylbenzene,CSCC1=CC=CC=C1,"InChI=1S/C8H10S/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3",OFQPKKGMNWASPN-UHFFFAOYSA-N,C8H10S,138.23,138.0503215,1.9,25.3,65,0,0,1,2,9,73 °C,196.00 to 198.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,5-DIMETHYL-2-NITROANILINE",006972-71-0,81445,"4,5-dimethyl-2-nitroaniline",CC1=CC(=C(C=C1C)[N+](=O)[O-])N,"InChI=1S/C8H10N2O2/c1-5-3-7(9)8(10(11)12)4-6(5)2/h3-4H,9H2,1-2H3",PINGKGKKUSYUAW-UHFFFAOYSA-N,C8H10N2O2,166.18,166.0742276,2.4,71.8,178,0,1,3,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHYLCATECHOL,000452-86-8,9958,"4-methylbenzene-1,2-diol",CC1=CC(=C(C=C1)O)O,"InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3",ZBCATMYQYDCTIZ-UHFFFAOYSA-N,C7H8O2,124.14,124.0524295,1.4,40.5,92,0,2,2,0,9,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N,N'N'-TETRAMETHYL-P-PHENYLENEDIAMINE DIHYDROCHLORIDE",000637-01-4,71561,"1-N,1-N,4-N,4-N-tetramethylbenzene-1,4-diamine;dihydrochloride",CN(C)C1=CC=C(C=C1)N(C)C.Cl.Cl,"InChI=1S/C10H16N2.2ClH/c1-11(2)9-5-7-10(8-6-9)12(3)4;;/h5-8H,1-4H3;2*1H",FBHKTSXMTASXFJ-UHFFFAOYSA-N,C10H18Cl2N2,237.17,236.084704,,6.5,108,0,2,2,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-IODOANILINE,000540-37-4,10893,4-iodoaniline,C1=CC(=CC=C1N)I,"InChI=1S/C6H6IN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2",VLVCDUSVTXIWGW-UHFFFAOYSA-N,C6H6IN,219.02,218.9545,2.3,26,66,0,1,1,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DINONYL PHTHALATE,000084-76-4,6787,"dinonyl benzene-1,2-dicarboxylate",CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC,"InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3",DROMNWUQASBTFM-UHFFFAOYSA-N,C26H42O4,418.6,418.3083098,10.1,52.6,395,0,0,4,20,30,"420 °F (USCG, 1999)","775 °F at 760 mmHg (USCG, 1999)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-(3.4-DIHYDROXYPHENYL)-DL-ALANINE,000063-84-3,836,"2-amino-3-(3,4-dihydroxyphenyl)propanoic acid",C1=CC(=C(C=C1CC(C(=O)O)N)O)O,"InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)",WTDRDQBEARUVNC-UHFFFAOYSA-N,C9H11NO4,197.19,197.0688078,-2.7,104,209,0,4,5,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMO-2-FLUORO-6-NITROPHENOL,000320-76-3,688116,4-bromo-2-fluoro-6-nitrophenol,C1=C(C=C(C(=C1[N+](=O)[O-])O)F)Br,"InChI=1S/C6H3BrFNO3/c7-3-1-4(8)6(10)5(2-3)9(11)12/h1-2,10H",ACQVEWFMUBXEMR-UHFFFAOYSA-N,C6H3BrFNO3,235.99,234.92803,2.7,66.1,186,0,1,4,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-CHLORO-4-FLUOROPHENOL,002613-23-2,75790,3-chloro-4-fluorophenol,C1=CC(=C(C=C1O)Cl)F,"InChI=1S/C6H4ClFO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H",ZQXLIXHVJVAPLW-UHFFFAOYSA-N,C6H4ClFO,146.54,145.9934706,2.4,20.2,99,0,1,2,0,9,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-IODO-4-NITROBENZENE,000636-98-6,12495,1-iodo-4-nitrobenzene,C1=CC(=CC=C1[N+](=O)[O-])I,InChI=1S/C6H4INO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,SCCCFNJTCDSLCY-UHFFFAOYSA-N,C6H4INO2,249.01,248.92868,2.7,45.8,126,0,0,2,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-IODO-2-NITROBENZENE,000609-73-4,69115,1-iodo-2-nitrobenzene,C1=CC=C(C(=C1)[N+](=O)[O-])I,InChI=1S/C6H4INO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,JXMZUNPWVXQADG-UHFFFAOYSA-N,C6H4INO2,249.01,248.92868,2.6,45.8,134,0,0,2,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4'-NITROACETOPHENONE,000100-19-6,7487,1-(4-nitrophenyl)ethanone,CC(=O)C1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C8H7NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3",YQYGPGKTNQNXMH-UHFFFAOYSA-N,C8H7NO3,165.15,165.0425931,1.5,62.9,189,0,0,3,1,12,,"396 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SYRINGALDEHYDE,000134-96-3,8655,"4-hydroxy-3,5-dimethoxybenzaldehyde",COC1=CC(=CC(=C1O)OC)C=O,"InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3",KCDXJAYRVLXPFO-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,0,55.8,157,0,1,4,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SILVEX,000093-72-1,7158,"2-(2,4,5-trichlorophenoxy)propanoic acid",CC(C(=O)O)OC1=CC(=C(C=C1Cl)Cl)Cl,"InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,1H3,(H,13,14)",ZLSWBLPERHFHIS-UHFFFAOYSA-N,C9H7Cl3O3,269.5,267.946077,3.8,46.5,237,0,1,3,3,15,,"greater than 300 °F at 0.5 mmHg (USCG, 1999)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"N,N-DIETHYL-1,4-PHENYLENEDIAMINE SULFATE",006283-63-2,80166,"4-N,4-N-diethylbenzene-1,4-diamine;sulfuric acid",CCN(CC)C1=CC=C(C=C1)N.OS(=O)(=O)O,"InChI=1S/C10H16N2.H2O4S/c1-3-12(4-2)10-7-5-9(11)6-8-10;1-5(2,3)4/h5-8H,3-4,11H2,1-2H3;(H2,1,2,3,4)",AYLDJQABCMPYEN-UHFFFAOYSA-N,C10H18N2O4S,262.33,262.0987282,,112,194,0,3,6,3,17,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
3-FLUORO-P-ANISIDINE,000366-99-4,581110,3-fluoro-4-methoxyaniline,COC1=C(C=C(C=C1)N)F,"InChI=1S/C7H8FNO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3",LJWAPDSCYTZUJU-UHFFFAOYSA-N,C7H8FNO,141.14,141.058992,1.3,35.3,110,0,1,3,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BROMOPHOS,002104-96-3,16422,"(4-bromo-2,5-dichlorophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane",COP(=S)(OC)OC1=CC(=C(C=C1Cl)Br)Cl,"InChI=1S/C8H8BrCl2O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3",NYQDCVLCJXRDSK-UHFFFAOYSA-N,C8H8BrCl2O3PS,366,363.84922,5.2,59.8,276,0,0,4,4,16,,140-142 °C at 0.01 mm Hg,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CYANOPHOS,002636-26-2,17522,4-dimethoxyphosphinothioyloxybenzonitrile,COP(=S)(OC)OC1=CC=C(C=C1)C#N,"InChI=1S/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3",SCKHCCSZFPSHGR-UHFFFAOYSA-N,C9H10NO3PS,243.22,243.0119014,2.7,83.6,285,0,0,5,4,15,104 °C,"246 to 248 °F at 0.09 mmHg Decomposes (EPA, 1998)",1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,4-DIMETHOXYBENZOIC ACID",000093-07-2,7121,"3,4-dimethoxybenzoic acid",COC1=C(C=C(C=C1)C(=O)O)OC,"InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)",DAUAQNGYDSHRET-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,1.6,55.8,180,0,1,4,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,3,4-TETRACHLOROBENZENE",000634-66-2,12463,"1,2,3,4-tetrachlorobenzene",C1=CC(=C(C(=C1Cl)Cl)Cl)Cl,InChI=1S/C6H2Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H,GBDZXPJXOMHESU-UHFFFAOYSA-N,C6H2Cl4,215.9,215.888111,4.6,0,102,0,0,0,0,10,"greater than 235 °F (NTP, 1992)","489 °F at 760 mmHg (NTP, 1992)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
4'-CHLOROPROPIOPHENONE,006285-05-8,22697,1-(4-chlorophenyl)propan-1-one,CCC(=O)C1=CC=C(C=C1)Cl,"InChI=1S/C9H9ClO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3",ADCYRBXQAJXJTD-UHFFFAOYSA-N,C9H9ClO,168.62,168.0341926,3,17.1,136,0,0,1,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
BENZALDEHYDE DIMETHYL ACETAL,001125-88-8,62375,dimethoxymethylbenzene,COC(C1=CC=CC=C1)OC,"InChI=1S/C9H12O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3",HEVMDQBCAHEHDY-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,1.6,18.5,93,0,0,2,3,11,,87.00 to 89.00 °C. @ 18.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZYLTRIMETHYLAMMONIUM BROMIDE,005350-41-4,21449,benzyl(trimethyl)azanium bromide,C[N+](C)(C)CC1=CC=CC=C1.[Br-],"InChI=1S/C10H16N.BrH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1",UUZYBYIOAZTMGC-UHFFFAOYSA-M,C10H16BrN,230.14,229.04661,,0,107,0,0,1,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-BUTYLBENZALDEHYDE,001200-14-2,70988,4-butylbenzaldehyde,CCCCC1=CC=C(C=C1)C=O,"InChI=1S/C11H14O/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-9H,2-4H2,1H3",ARIREUPIXAKDAY-UHFFFAOYSA-N,C11H14O,162.23,162.1044651,3.2,17.1,123,0,0,1,4,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINOACETOPHENONE,000551-93-9,11086,1-(2-aminophenyl)ethanone,CC(=O)C1=CC=CC=C1N,"InChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3",GTDQGKWDWVUKTI-UHFFFAOYSA-N,C8H9NO,135.16,135.0684139,1.6,43.1,133,0,1,2,1,10,,BP 250-252 °C @ 760 MM HG (SOME DECOMP),0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DIHYDROXYBENZOIC ACID",000490-79-9,3469,"2,5-dihydroxybenzoic acid",C1=CC(=C(C=C1O)C(=O)O)O,"InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)",WXTMDXOMEHJXQO-UHFFFAOYSA-N,C7H6O4,154.12,154.0266087,1.6,77.8,157,0,3,4,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-BROMO-N,N-DIMETHYLANILINE",000586-77-6,11465,"4-bromo-N,N-dimethylaniline",CN(C)C1=CC=C(C=C1)Br,"InChI=1S/C8H10BrN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3",XYZWMVYYUIMRIZ-UHFFFAOYSA-N,C8H10BrN,200.08,198.99966,3.2,3.2,95,0,0,1,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-(PHENYLTHIO)ETHANOL,000699-12-7,69685,2-phenylsulfanylethanol,C1=CC=C(C=C1)SCCO,"InChI=1S/C8H10OS/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2",KWWZHCSQVRVQGF-UHFFFAOYSA-N,C8H10OS,154.23,154.0452361,2.1,45.5,79,0,1,2,3,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BROMOPHENOL,000591-20-8,11563,3-bromophenol,C1=CC(=CC(=C1)Br)O,"InChI=1S/C6H5BrO/c7-5-2-1-3-6(8)4-5/h1-4,8H",MNOJRWOWILAHAV-UHFFFAOYSA-N,C6H5BrO,173.01,171.95238,2.6,20.2,74,0,1,1,0,8,110.00 °C (230.00deg F) - closed cup,236.5 °C,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3,6-TRICHLOROPHENOL",000933-75-5,13618,"2,3,6-trichlorophenol",C1=CC(=C(C(=C1Cl)O)Cl)Cl,"InChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H",XGCHAIDDPMFRLJ-UHFFFAOYSA-N,C6H3Cl3O,197.4,195.924948,3.8,20.2,120,0,1,1,0,10,"174 °F (NTP, 1992)","487 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,3,5-TRICHLOROPHENOL",000933-78-8,13619,"2,3,5-trichlorophenol",C1=C(C=C(C(=C1O)Cl)Cl)Cl,"InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H",WWGQHTJIFOQAOC-UHFFFAOYSA-N,C6H3Cl3O,197.4,195.924948,3.6,20.2,120,0,1,1,0,10,,"478 to 480 °F at 760 mmHg (NTP, 1992)",1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
P-CYANOPHENYL ISOCYANATE,040465-45-0,170380,4-isocyanatobenzonitrile,C1=CC(=CC=C1C#N)N=C=O,InChI=1S/C8H4N2O/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H,TVSXDZNUTPLDKY-UHFFFAOYSA-N,C8H4N2O,144.13,144.0323628,2.4,53.2,213,0,0,3,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CUMINALDEHYDE,000122-03-2,326,4-propan-2-ylbenzaldehyde,CC(C)C1=CC=C(C=C1)C=O,"InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3",WTWBUQJHJGUZCY-UHFFFAOYSA-N,C10H12O,148.2,148.088815,2.7,17.1,121,0,0,1,2,11,,235.5 °C,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
2-ISOPROPYLANILINE,000643-28-7,12561,2-propan-2-ylaniline,CC(C)C1=CC=CC=C1N,"InChI=1S/C9H13N/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,10H2,1-2H3",YKOLZVXSPGIIBJ-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,2.1,26,98,0,1,1,1,10,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIBUTYLANILINE",000613-29-6,61154,"N,N-dibutylaniline",CCCCN(CCCC)C1=CC=CC=C1,"InChI=1S/C14H23N/c1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3",FZPXKEPZZOEPGX-UHFFFAOYSA-N,C14H23N,205.34,205.1830497,4.5,3.2,130,0,0,1,7,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-DICHLOROPHENOL",000576-24-9,11334,"2,3-dichlorophenol",C1=CC(=C(C(=C1)Cl)Cl)O,"InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H",UMPSXRYVXUPCOS-UHFFFAOYSA-N,C6H4Cl2O,163,161.9639201,2.8,20.2,97,0,1,1,0,9,,"403 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,4-DIHYDROXYBENZALDEHYDE",000095-01-2,7213,"2,4-dihydroxybenzaldehyde",C1=CC(=C(C=C1O)O)C=O,"InChI=1S/C7H6O3/c8-4-5-1-2-6(9)3-7(5)10/h1-4,9-10H",IUNJCFABHJZSKB-UHFFFAOYSA-N,C7H6O3,138.12,138.031694,1.5,57.5,124,0,2,3,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-METHYL-4-NITROANISOLE,005367-32-8,79330,4-methoxy-2-methyl-1-nitrobenzene,CC1=C(C=CC(=C1)OC)[N+](=O)[O-],"InChI=1S/C8H9NO3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5H,1-2H3",RTZOGYCMIMOVHU-UHFFFAOYSA-N,C8H9NO3,167.16,167.0582431,2.8,55.1,166,0,0,3,1,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
5-METHYLSALICYLIC ACID,000089-56-5,6973,2-hydroxy-5-methylbenzoic acid,CC1=CC(=C(C=C1)O)C(=O)O,"InChI=1S/C8H8O3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)",DLGBEGBHXSAQOC-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,2.8,57.5,155,0,2,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BROMO-3-PHENYLPROPANE,000637-59-2,12503,3-bromopropylbenzene,C1=CC=C(C=C1)CCCBr,"InChI=1S/C9H11Br/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2",XMZQWZJMTBCUFT-UHFFFAOYSA-N,C9H11Br,199.09,198.00441,3.7,0,74,0,0,0,3,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-CHLORO-4'-FLUOROPROPIOPHENONE,000347-93-3,67672,3-chloro-1-(4-fluorophenyl)propan-1-one,C1=CC(=CC=C1C(=O)CCCl)F,"InChI=1S/C9H8ClFO/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4H,5-6H2",AAHQPLJUSLMHHR-UHFFFAOYSA-N,C9H8ClFO,186.61,186.0247707,2.2,17.1,153,0,0,2,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-PHENOXYBUTYL BROMIDE,001200-03-9,70986,4-bromobutoxybenzene,C1=CC=C(C=C1)OCCCCBr,"InChI=1S/C10H13BrO/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2",QBLISOIWPZSVIK-UHFFFAOYSA-N,C10H13BrO,229.11,228.01498,3.8,9.2,100,0,0,1,5,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(4-NITROPHENYL)ETHANOL,000100-27-6,7494,2-(4-nitrophenyl)ethanol,C1=CC(=CC=C1CCO)[N+](=O)[O-],"InChI=1S/C8H9NO3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,10H,5-6H2",IKMXRUOZUUKSON-UHFFFAOYSA-N,C8H9NO3,167.16,167.0582431,1.1,66.1,147,0,1,3,2,12,,"351 °F at 16 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,3-DICHLOROBENZOIC ACID",000050-45-3,5765,"2,3-dichlorobenzoic acid",C1=CC(=C(C(=C1)Cl)Cl)C(=O)O,"InChI=1S/C7H4Cl2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)",QAOJBHRZQQDFHA-UHFFFAOYSA-N,C7H4Cl2O2,191.01,189.9588348,2.7,37.3,161,0,1,2,1,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
3-METHOXYACETOPHENONE,000586-37-8,11460,1-(3-methoxyphenyl)ethanone,CC(=O)C1=CC(=CC=C1)OC,"InChI=1S/C9H10O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6H,1-2H3",BAYUSCHCCGXLAY-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,1.8,26.3,142,0,0,2,2,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
(+-)-PHENYLPROPANOLAMINE HYDROCHLORIDE,000154-41-6,62943,"(1R,2S)-2-amino-1-phenylpropan-1-ol;hydrochloride",C[C@@H]([C@@H](C1=CC=CC=C1)O)N.Cl,"InChI=1S/C9H13NO.ClH/c1-7(10)9(11)8-5-3-2-4-6-8;/h2-7,9,11H,10H2,1H3;1H/t7-,9-;/m0./s1",DYWNLSQWJMTVGJ-KUSKTZOESA-N,C9H14ClNO,187.66,187.0763918,,46.3,110,0,3,2,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-HYDROXYANTHRANILIC ACID,000548-93-6,86,2-amino-3-hydroxybenzoic acid,C1=CC(=C(C(=C1)O)N)C(=O)O,"InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)",WJXSWCUQABXPFS-UHFFFAOYSA-N,C7H7NO3,153.14,153.0425931,0.9,83.6,160,0,3,4,1,11,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-AMINO-2-CHLOROBENZOTRIFLUORIDE,000320-51-4,67574,4-chloro-3-(trifluoromethyl)aniline,C1=CC(=C(C=C1N)C(F)(F)F)Cl,"InChI=1S/C7H5ClF3N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2",ASPDJZINBYYZRU-UHFFFAOYSA-N,C7H5ClF3N,195.57,195.0062613,3.5,26,159,0,1,4,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1S,2R)-(+)-NOREPHEDRINE",037577-28-9,26934,"(1S,2R)-2-amino-1-phenylpropan-1-ol",C[C@H]([C@H](C1=CC=CC=C1)O)N,"InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m1/s1",DLNKOYKMWOXYQA-VXNVDRBHSA-N,C9H13NO,151.21,151.099714,0.8,46.3,110,0,2,2,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
VERATROLE,000091-16-7,7043,"1,2-dimethoxybenzene",COC1=CC=CC=C1OC,"InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3",ABDKAPXRBAPSQN-UHFFFAOYSA-N,C8H10O2,138.16,138.0680796,1.6,18.5,81,0,0,2,2,10,,206.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
6-NITROVERATRALDEHYDE,020357-25-9,88505,"4,5-dimethoxy-2-nitrobenzaldehyde",COC1=C(C=C(C(=C1)C=O)[N+](=O)[O-])OC,"InChI=1S/C9H9NO5/c1-14-8-3-6(5-11)7(10(12)13)4-9(8)15-2/h3-5H,1-2H3",YWSPWKXREVSQCA-UHFFFAOYSA-N,C9H9NO5,211.17,211.0480724,1.2,81.4,239,0,0,5,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-TOLUENEDIAMINE DIHYDROCHLORIDE",015481-70-6,27324,"2-methylbenzene-1,3-diamine;dihydrochloride",CC1=C(C=CC=C1N)N.Cl.Cl,"InChI=1S/C7H10N2.2ClH/c1-5-6(8)3-2-4-7(5)9;;/h2-4H,8-9H2,1H3;2*1H",LXIJUYQULXUMDO-UHFFFAOYSA-N,C7H12Cl2N2,195.09,194.0377538,,52,82,0,4,2,0,11,,,0,1,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0
"3,4-DICHLORONITROBENZENE",000099-54-7,7443,"1,2-dichloro-4-nitrobenzene",C1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl,InChI=1S/C6H3Cl2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,NTBYINQTYWZXLH-UHFFFAOYSA-N,C6H3Cl2NO2,192,190.9540837,3.1,45.8,159,0,0,2,0,11,"255 °F (NTP, 1992)","491 to 493 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"2,4-DINITRO-N-ETHYLANILINE",003846-50-2,77454,"N-ethyl-2,4-dinitroaniline",CCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C8H9N3O4/c1-2-9-7-4-3-6(10(12)13)5-8(7)11(14)15/h3-5,9H,2H2,1H3",YYOUTZBUOQBAAE-UHFFFAOYSA-N,C8H9N3O4,211.17,211.0593058,2.6,104,247,0,1,5,2,15,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
5-METHYL-2-NITROPHENOL,000700-38-9,12788,5-methyl-2-nitrophenol,CC1=CC(=C(C=C1)[N+](=O)[O-])O,"InChI=1S/C7H7NO3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3",NQXUSSVLFOBRSE-UHFFFAOYSA-N,C7H7NO3,153.14,153.0425931,2.3,66.1,154,0,1,3,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2'-NITROACETOPHENONE,000577-59-3,11346,1-(2-nitrophenyl)ethanone,CC(=O)C1=CC=CC=C1[N+](=O)[O-],"InChI=1S/C8H7NO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3",SUGXZLKUDLDTKX-UHFFFAOYSA-N,C8H7NO3,165.15,165.0425931,1.3,62.9,197,0,0,3,1,12,"greater than 235 °F (NTP, 1992)","316 °F at 16 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-NITROBENZAMIDE,000645-09-0,12576,3-nitrobenzamide,C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N,"InChI=1S/C7H6N2O3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4H,(H2,8,10)",KWAYEPXDGHYGRW-UHFFFAOYSA-N,C7H6N2O3,166.13,166.0378421,0.8,88.9,199,0,1,3,1,12,,"590 to 599 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3'-METHYLACETOPHENONE,000585-74-0,11455,1-(3-methylphenyl)ethanone,CC1=CC(=CC=C1)C(=O)C,"InChI=1S/C9H10O/c1-7-4-3-5-9(6-7)8(2)10/h3-6H,1-2H3",FSPSELPMWGWDRY-UHFFFAOYSA-N,C9H10O,134.17,134.0731649,2.3,17.1,129,0,0,1,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-METHYL-3-NITROANISOLE,017484-36-5,87137,4-methoxy-1-methyl-2-nitrobenzene,CC1=C(C=C(C=C1)OC)[N+](=O)[O-],"InChI=1S/C8H9NO3/c1-6-3-4-7(12-2)5-8(6)9(10)11/h3-5H,1-2H3",JBORNNNGTJSTLC-UHFFFAOYSA-N,C8H9NO3,167.16,167.0582431,2.4,55.1,166,0,0,3,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
2-FLUORO-6-NITROTOLUENE,000769-10-8,69854,1-fluoro-2-methyl-3-nitrobenzene,CC1=C(C=CC=C1F)[N+](=O)[O-],"InChI=1S/C7H6FNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3",GXPIVRKDWZKIKZ-UHFFFAOYSA-N,C7H6FNO2,155.13,155.0382566,2.6,45.8,157,0,0,3,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-AMINO-4-CHLOROBENZOTRIFLUORIDE,000121-50-6,8475,2-chloro-5-(trifluoromethyl)aniline,C1=CC(=C(C=C1C(F)(F)F)N)Cl,"InChI=1S/C7H5ClF3N/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H,12H2",VKTTYIXIDXWHKW-UHFFFAOYSA-N,C7H5ClF3N,195.57,195.0062613,3.1,26,159,0,1,4,0,12,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
3-AMINO-4-FLUOROBENZO TRIFLUORIDE,000535-52-4,136349,2-fluoro-5-(trifluoromethyl)aniline,C1=CC(=C(C=C1C(F)(F)F)N)F,"InChI=1S/C7H5F4N/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H,12H2",DRKWGMXFFCPZLW-UHFFFAOYSA-N,C7H5F4N,179.11,179.0358118,2.5,26,156,0,1,5,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-ACETANISIDIDE,000051-66-1,5827,N-(4-methoxyphenyl)acetamide,CC(=O)NC1=CC=C(C=C1)OC,"InChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)",XVAIDCNLVLTVFM-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,1.1,38.3,151,0,1,2,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
O-ACETOTOLUIDIDE,000120-66-1,8443,N-(2-methylphenyl)acetamide,CC1=CC=CC=C1NC(=O)C,"InChI=1S/C9H11NO/c1-7-5-3-4-6-9(7)10-8(2)11/h3-6H,1-2H3,(H,10,11)",BPEXTIMJLDWDTL-UHFFFAOYSA-N,C9H11NO,149.19,149.084064,0.9,29.1,144,0,1,1,1,11,,"565 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BUTOXYANILINE,004344-55-2,20352,4-butoxyaniline,CCCCOC1=CC=C(C=C1)N,"InChI=1S/C10H15NO/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7H,2-3,8,11H2,1H3",UBRIHZOFEJHMIT-UHFFFAOYSA-N,C10H15NO,165.23,165.1153641,2.6,35.3,108,0,1,2,4,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-HYDROXYANTHRANILIC ACID,000394-31-0,164592,2-amino-5-hydroxybenzoic acid,C1=CC(=C(C=C1O)C(=O)O)N,"InChI=1S/C7H7NO3/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,9H,8H2,(H,10,11)",HYNQTSZBTIOFKH-UHFFFAOYSA-N,C7H7NO3,153.14,153.0425931,0.6,83.6,160,0,3,4,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-AMINOISOPHTHALIC ACID,000099-31-0,66833,"5-aminobenzene-1,3-dicarboxylic acid",C1=C(C=C(C=C1C(=O)O)N)C(=O)O,"InChI=1S/C8H7NO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)",KBZFDRWPMZESDI-UHFFFAOYSA-N,C8H7NO4,181.15,181.0375077,0.3,101,206,0,3,5,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHACRYNIC ACID,000058-54-8,3278,"2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid",CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl,"InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)",AVOLMBLBETYQHX-UHFFFAOYSA-N,C13H12Cl2O4,303.13,302.0112642,3.8,63.6,370,0,1,4,6,19,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMO-6-NITROTOLUENE,055289-35-5,123537,1-bromo-2-methyl-3-nitrobenzene,CC1=C(C=CC=C1Br)[N+](=O)[O-],"InChI=1S/C7H6BrNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3",LYTNSGFSAXWBCA-UHFFFAOYSA-N,C7H6BrNO2,216.03,214.95819,3.2,45.8,157,0,0,2,0,11,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-AMINORESORCINOL HYDROCHLORIDE,034781-86-7,13408822,"4-aminobenzene-1,3-diol;hydrochloride",C1=CC(=C(C=C1O)O)N.Cl,"InChI=1S/C6H7NO2.ClH/c7-5-2-1-4(8)3-6(5)9;/h1-3,8-9H,7H2;1H",LLJMPRKYLLJAEB-UHFFFAOYSA-N,C6H8ClNO2,161.58,161.0243562,,66.5,97,0,4,3,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHENETHYLAMINE HYDROCHLORIDE,000156-28-5,9075,2-phenylethanamine;hydrochloride,C1=CC=C(C=C1)CCN.Cl,"InChI=1S/C8H11N.ClH/c9-7-6-8-4-2-1-3-5-8;/h1-5H,6-7,9H2;1H",SKHIBNDAFWIOPB-UHFFFAOYSA-N,C8H12ClN,157.64,157.0658271,,26,65,0,2,1,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-ETHOXYBENZOIC ACID,000134-11-2,67252,2-ethoxybenzoic acid,CCOC1=CC=CC=C1C(=O)O,"InChI=1S/C9H10O3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11)",XDZMPRGFOOFSBL-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,2,46.5,156,0,1,3,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IBUPROFEN,015687-27-1,3672,2-[4-(2-methylpropyl)phenyl]propanoic acid,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)",HEFNNWSXXWATRW-UHFFFAOYSA-N,C13H18O2,206.28,206.1306798,3.5,37.3,203,0,1,2,4,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,1
"1,3-BENZENEDIMETHANOL",000626-18-6,69374,[3-(hydroxymethyl)phenyl]methanol,C1=CC(=CC(=C1)CO)CO,"InChI=1S/C8H10O2/c9-5-7-2-1-3-8(4-7)6-10/h1-4,9-10H,5-6H2",YWMLORGQOFONNT-UHFFFAOYSA-N,C8H10O2,138.16,138.0680796,0.2,40.5,83,0,2,2,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ETHACURE 300,106264-79-3,86262,"2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine",CC1=C(C(=CC(=C1N)SC)SC)N,"InChI=1S/C9H14N2S2/c1-5-8(10)6(12-2)4-7(13-3)9(5)11/h4H,10-11H2,1-3H3",TXDBDYPHJXUHEO-UHFFFAOYSA-N,C9H14N2S2,214.4,214.0598408,1.9,103,150,0,2,4,2,13,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,4-D METHYL ESTER",001928-38-7,1488,"methyl 2-(2,4-dichlorophenoxy)acetate",COC(=O)COC1=C(C=C(C=C1)Cl)Cl,"InChI=1S/C9H8Cl2O3/c1-13-9(12)5-14-8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3",HWIGZMADSFQMOI-UHFFFAOYSA-N,C9H8Cl2O3,235.06,233.9850495,3.1,35.5,198,0,0,3,4,14,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"(2,4,5-TRICHLOROPHENOXY) ACETIC ACID METHYL ESTER",001928-37-6,1482,"methyl 2-(2,4,5-trichlorophenoxy)acetate",COC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl,"InChI=1S/C9H7Cl3O3/c1-14-9(13)4-15-8-3-6(11)5(10)2-7(8)12/h2-3H,4H2,1H3",JUCNGUOYQGHBJC-UHFFFAOYSA-N,C9H7Cl3O3,269.5,267.946077,3.6,35.5,225,0,0,3,4,15,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
DICAMBA METHYL ESTER,006597-78-0,81070,"methyl 3,6-dichloro-2-methoxybenzoate",COC1=C(C=CC(=C1C(=O)OC)Cl)Cl,"InChI=1S/C9H8Cl2O3/c1-13-8-6(11)4-3-5(10)7(8)9(12)14-2/h3-4H,1-2H3",AWSBKDYHGOOSML-UHFFFAOYSA-N,C9H8Cl2O3,235.06,233.9850495,2.5,35.5,210,0,0,3,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MCPA METHYL ESTER,002436-73-9,17089,methyl 2-(4-chloro-2-methylphenoxy)acetate,CC1=C(C=CC(=C1)Cl)OCC(=O)OC,"InChI=1S/C10H11ClO3/c1-7-5-8(11)3-4-9(7)14-6-10(12)13-2/h3-5H,6H2,1-2H3",VWERIRLJUWTNDA-UHFFFAOYSA-N,C10H11ClO3,214.64,214.0396719,2.7,35.5,196,0,0,3,4,14,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"L-3,4-DIHYDROXYPHENYLALANINE METHYL ESTER HYDROCHLORIDE",001421-65-4,10131132,"methyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate;hydrochloride",COC(=O)[C@H](CC1=CC(=C(C=C1)O)O)N.Cl,"InChI=1S/C10H13NO4.ClH/c1-15-10(14)7(11)4-6-2-3-8(12)9(13)5-6;/h2-3,5,7,12-13H,4,11H2,1H3;1H/t7-;/m0./s1",WFGNJLMSYIJWII-FJXQXJEOSA-N,C10H14ClNO4,247.67,247.0611356,,92.8,221,0,4,5,4,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
4-NITROPHENETOLE,000100-29-8,7495,1-ethoxy-4-nitrobenzene,CCOC1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C8H9NO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3",NWPKEYHUZKMWKJ-UHFFFAOYSA-N,C8H9NO3,167.16,167.0582431,2.5,55.1,147,0,0,3,2,12,90 °C,283 °C,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-CYANOBENZOIC ACID,000619-65-8,12087,4-cyanobenzoic acid,C1=CC(=CC=C1C#N)C(=O)O,"InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)",ADCUEPOHPCPMCE-UHFFFAOYSA-N,C8H5NO2,147.13,147.0320284,1.6,61.1,195,0,1,3,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-BENZENEDIMETHANOL",000589-29-7,11506,[4-(hydroxymethyl)phenyl]methanol,C1=CC(=CC=C1CO)CO,"InChI=1S/C8H10O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2",BWVAOONFBYYRHY-UHFFFAOYSA-N,C8H10O2,138.16,138.0680796,0.3,40.5,73,0,2,2,2,10,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-PHENYL-2-PROPANOL,000617-94-7,12053,2-phenylpropan-2-ol,CC(C)(C1=CC=CC=C1)O,"InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3",BDCFWIDZNLCTMF-UHFFFAOYSA-N,C9H12O,136.19,136.088815,1.8,20.2,101,0,1,1,1,10,,202 °C @ 760 MM HG,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-CHLOROTHIOANISOLE,000123-09-1,31243,1-chloro-4-methylsulfanylbenzene,CSC1=CC=C(C=C1)Cl,"InChI=1S/C7H7ClS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3",KIQQUVJOLVCZKG-UHFFFAOYSA-N,C7H7ClS,158.65,157.9956991,3.1,25.3,77,0,0,1,1,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"METHYL N-(2-METHOXYACETYL)-N-(2,6-XYLYL)-DL-ALANINATE",057837-19-1,42586,"methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate",CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC,"InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3",ZQEIXNIJLIKNTD-UHFFFAOYSA-N,C15H21NO4,279.33,279.1470582,1.6,55.8,335,0,0,4,6,20,,295.9 °C @ 760 mm Hg,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
ALLYL PHENYL ETHER,001746-13-0,74458,prop-2-enoxybenzene,C=CCOC1=CC=CC=C1,"InChI=1S/C9H10O/c1-2-8-10-9-6-4-3-5-7-9/h2-7H,1,8H2",POSICDHOUBKJKP-UHFFFAOYSA-N,C9H10O,134.17,134.0731649,2.9,9.2,92,0,0,1,3,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
OXGALL,075302-04-4,70507,"2,6-diethylphenol",CCC1=C(C(=CC=C1)CC)O,"InChI=1S/C10H14O/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7,11H,3-4H2,1-2H3",METWAQRCMRWDAW-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,3,20.2,99,0,1,1,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-PHENYLGLYCINE,000103-01-5,66025,2-anilinoacetic acid,C1=CC=C(C=C1)NCC(=O)O,"InChI=1S/C8H9NO2/c10-8(11)6-9-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)",NPKSPKHJBVJUKB-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,0.6,49.3,130,0,2,3,3,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BROMO-4-NITROBENZENE,000586-78-7,11466,1-bromo-4-nitrobenzene,C1=CC(=CC=C1[N+](=O)[O-])Br,InChI=1S/C6H4BrNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,ZDFBKZUDCQQKAC-UHFFFAOYSA-N,C6H4BrNO2,202.01,200.94254,2.5,45.8,126,0,0,2,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"2,3,4,5,6-PENTACHLOROANISOLE",001825-21-4,15767,"1,2,3,4,5-pentachloro-6-methoxybenzene",COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,InChI=1S/C7H3Cl5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3,BBABSCYTNHOKOG-UHFFFAOYSA-N,C7H3Cl5O,280.4,279.859703,5.4,9.2,162,0,0,1,1,13,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-TRIMETHOXYSILYL-2-(P,M-CHLOROMETHYL)PHENYLETHANE",068128-25-6,109504,2-[4-(chloromethyl)phenyl]ethyl-trimethoxysilane,CO[Si](CCC1=CC=C(C=C1)CCl)(OC)OC,"InChI=1S/C12H19ClO3Si/c1-14-17(15-2,16-3)9-8-11-4-6-12(10-13)7-5-11/h4-7H,8-10H2,1-3H3",IOLWRXMELRWXQY-UHFFFAOYSA-N,C12H19ClO3Si,274.81,274.0791987,,27.7,196,0,0,3,7,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMORESORCINOL,006626-15-9,81105,"4-bromobenzene-1,3-diol",C1=CC(=C(C=C1O)O)Br,"InChI=1S/C6H5BrO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H",MPCCNXGZCOXPMG-UHFFFAOYSA-N,C6H5BrO2,189.01,187.94729,2.2,40.5,97,0,2,2,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-AMINO-3-HYDROXYBENZOIC ACID,002374-03-0,137566,4-amino-3-hydroxybenzoic acid,C1=CC(=C(C=C1C(=O)O)O)N,"InChI=1S/C7H7NO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,8H2,(H,10,11)",NFPYJDZQOKCYIE-UHFFFAOYSA-N,C7H7NO3,153.14,153.0425931,0.8,83.6,160,0,3,4,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,5-TRI-TERT-BUTYLBENZENE",001460-02-2,15089,"1,3,5-tritert-butylbenzene",CC(C)(C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C,"InChI=1S/C18H30/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9/h10-12H,1-9H3",GUFMBISUSZUUCB-UHFFFAOYSA-N,C18H30,246.4,246.234751,6.9,0,206,0,0,0,3,18,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,1
ETHYLENE GLYCOL MONOBENZYL ETHER,000622-08-2,12141,2-phenylmethoxyethanol,C1=CC=C(C=C1)COCCO,"InChI=1S/C9H12O2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2",CUZKCNWZBXLAJX-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,0.9,29.5,87,0,1,2,4,11,265 °F OC,256 °C @ 760 MM HG,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BROMOBENZALDEHYDE,003132-99-8,76583,3-bromobenzaldehyde,C1=CC(=CC(=C1)Br)C=O,InChI=1S/C7H5BrO/c8-7-3-1-2-6(4-7)5-9/h1-5H,SUISZCALMBHJQX-UHFFFAOYSA-N,C7H5BrO,185.02,183.95238,2.4,17.1,103,0,0,1,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXY-2-METHYLPROPIOPHENONE,007473-98-5,81984,2-hydroxy-2-methyl-1-phenylpropan-1-one,CC(C)(C(=O)C1=CC=CC=C1)O,"InChI=1S/C10H12O2/c1-10(2,12)9(11)8-6-4-3-5-7-8/h3-7,12H,1-2H3",XMLYCEVDHLAQEL-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,1.5,37.3,167,0,1,2,2,12,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
IODOBENZENE DIACETATE,003240-34-4,76724,[acetyloxy(phenyl)-lambda3-iodanyl] acetate,CC(=O)OI(C1=CC=CC=C1)OC(=O)C,"InChI=1S/C10H11IO4/c1-8(12)14-11(15-9(2)13)10-6-4-3-5-7-10/h3-7H,1-2H3",ZBIKORITPGTTGI-UHFFFAOYSA-N,C10H11IO4,322.1,321.97021,2.8,52.6,220,0,0,4,5,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2-DIMETHYL-1-PHENYL-1,3-PROPANEDIOL",033950-46-8,251285,"2,2-dimethyl-1-phenylpropane-1,3-diol",CC(C)(CO)C(C1=CC=CC=C1)O,"InChI=1S/C11H16O2/c1-11(2,8-12)10(13)9-6-4-3-5-7-9/h3-7,10,12-13H,8H2,1-2H3",UTWCLCFHXYGTTF-UHFFFAOYSA-N,C11H16O2,180.24,180.1150297,1.6,40.5,148,0,2,2,3,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"N,N-DIMETHYL-P-TOLUENESULFONAMIDE",000599-69-9,11743,"N,N,4-trimethylbenzenesulfonamide",CC1=CC=C(C=C1)S(=O)(=O)N(C)C,"InChI=1S/C9H13NO2S/c1-8-4-6-9(7-5-8)13(11,12)10(2)3/h4-7H,1-3H3",WZKOKGOAHBIPCI-UHFFFAOYSA-N,C9H13NO2S,199.27,199.0666998,2.9,45.8,245,0,0,3,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-IODOTOLUENE,000624-31-7,12207,1-iodo-4-methylbenzene,CC1=CC=C(C=C1)I,"InChI=1S/C7H7I/c1-6-2-4-7(8)5-3-6/h2-5H,1H3",UDHAWRUAECEBHC-UHFFFAOYSA-N,C7H7I,218.03,217.95925,3.8,0,62,0,0,0,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-NITRO-O-AMINOPHENOL,000099-57-0,3613389,2-amino-4-nitrophenol,C1=CC(=C(C=C1[N+](=O)[O-])N)O,"InChI=1S/C6H6N2O3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H,7H2",VLZVIIYRNMWPSN-UHFFFAOYSA-N,C6H6N2O3,154.12,154.0378421,1.5,92.1,156,0,2,4,0,11,100 °C,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-METHOXYRESORCINOL,002174-64-3,71648,"5-methoxybenzene-1,3-diol",COC1=CC(=CC(=C1)O)O,"InChI=1S/C7H8O3/c1-10-7-3-5(8)2-6(9)4-7/h2-4,8-9H,1H3",HDVRLUFGYQYLFJ-UHFFFAOYSA-N,C7H8O3,140.14,140.0473441,1.3,49.7,95,0,2,3,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-(4-CHLOROPHENYL) ETHANOL,003391-10-4,18825,1-(4-chlorophenyl)ethanol,CC(C1=CC=C(C=C1)Cl)O,"InChI=1S/C8H9ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3",MVOSNPUNXINWAD-UHFFFAOYSA-N,C8H9ClO,156.61,156.0341926,2.1,20.2,97,0,1,1,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DIMETHYLBENZENESULFONIC ACID SODIUM SALT",000827-21-4,23677979,"sodium 2,4-dimethylbenzenesulfonate",CC1=CC(=C(C=C1)S(=O)(=O)[O-])C.[Na+],"InChI=1S/C8H10O3S.Na/c1-6-3-4-8(7(2)5-6)12(9,10)11;/h3-5H,1-2H3,(H,9,10,11);/q;+1/p-1",GJQXYSKWRDJNAJ-UHFFFAOYSA-M,C8H9NaO3S,208.21,208.0170096,,65.6,245,0,0,3,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PROBENECID,000057-66-9,4911,4-(dipropylsulfamoyl)benzoic acid,CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O,"InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)",DBABZHXKTCFAPX-UHFFFAOYSA-N,C13H19NO4S,285.36,285.1034793,3.2,83.1,374,0,1,5,7,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-METHYOXY-4-METHYLPHENOL,000093-51-6,7144,2-methoxy-4-methylphenol,CC1=CC(=C(C=C1)O)OC,"InChI=1S/C8H10O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5,9H,1-2H3",PETRWTHZSKVLRE-UHFFFAOYSA-N,C8H10O2,138.16,138.0680796,1.3,29.5,103,0,1,2,1,10,,221.00 to 222.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
4-NITRO-ORTHO-XYLENE,000099-51-4,7440,"1,2-dimethyl-4-nitrobenzene",CC1=C(C=C(C=C1)[N+](=O)[O-])C,"InChI=1S/C8H9NO2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3",HFZKOYWDLDYELC-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,2.9,45.8,153,0,0,2,0,11,"225 °F (NTP, 1992)","489 °F at 748 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-VINYLPHENYLBORONIC ACID,002156-04-9,2734393,(4-ethenylphenyl)boronic acid,B(C1=CC=C(C=C1)C=C)(O)O,"InChI=1S/C8H9BO2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6,10-11H,1H2",QWMJEUJXWVZSAG-UHFFFAOYSA-N,C8H9BO2,147.97,148.0695597,,40.5,128,0,2,2,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-PHENYLPROPANOL,000093-54-9,7147,1-phenylpropan-1-ol,CCC(C1=CC=CC=C1)O,"InChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3",DYUQAZSOFZSPHD-UHFFFAOYSA-N,C9H12O,136.19,136.088815,1.9,20.2,84,0,1,1,2,10,,103.00 °C. @ 14.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,3,4,5,6-PENTAFLUOROANILINE",000771-60-8,13040,"2,3,4,5,6-pentafluoroaniline",C1(=C(C(=C(C(=C1F)F)F)F)F)N,InChI=1S/C6H2F5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2,NOXLGCOSAFGMDV-UHFFFAOYSA-N,C6H2F5N,183.08,183.0107399,1.7,26,150,0,1,6,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-HYDROXYBENZENESULFONIC ACID, SODIUM SALT",028469-73-0,19982886,sodium 4-hydroxybenzenesulfonic acid,C1=CC(=CC=C1O)S(=O)(=O)O.[Na+],"InChI=1S/C6H6O4S.Na/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4,7H,(H,8,9,10);/q;+1",BYMHXIQVEAYSJD-UHFFFAOYSA-N,C6H6NaO4S+,197.17,196.9884491,,83,207,1,2,4,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-(4-CHLOROPHENYL)-1,1-DIMETHYLUREA",000150-68-5,8800,"3-(4-chlorophenyl)-1,1-dimethylurea",CN(C)C(=O)NC1=CC=C(C=C1)Cl,"InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)",BMLIZLVNXIYGCK-UHFFFAOYSA-N,C9H11ClN2O,198.65,198.0559907,1.9,32.3,176,0,1,1,1,13,,"365 to 392 °F at 760 mmHg (decomposes) (NTP, 1992)",1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZYL METHYL DISULFIDE,000699-10-5,12779,(methyldisulfanyl)methylbenzene,CSSCC1=CC=CC=C1,"InChI=1S/C8H10S2/c1-9-10-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3",NWYGPVZOBBHKLI-UHFFFAOYSA-N,C8H10S2,170.3,170.0223927,2.4,50.6,77,0,0,2,3,10,,195.00 to 197.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHENYLBORONIC ACID,000098-80-6,66827,phenylboronic acid,B(C1=CC=CC=C1)(O)O,"InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H",HXITXNWTGFUOAU-UHFFFAOYSA-N,C6H7BO2,121.93,122.0539096,,40.5,79,0,2,2,1,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,5-DIMETHYL-1,2-PHENYLENEDIAMINE",003171-45-7,76635,"4,5-dimethylbenzene-1,2-diamine",CC1=CC(=C(C=C1C)N)N,"InChI=1S/C8H12N2/c1-5-3-7(9)8(10)4-6(5)2/h3-4H,9-10H2,1-2H3",XSZYBMMYQCYIPC-UHFFFAOYSA-N,C8H12N2,136.19,136.1000484,1.3,52,99,0,2,2,0,10,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-FLUORO-4-METHOXYBENZALDEHYDE,000331-64-6,2734873,2-fluoro-4-methoxybenzaldehyde,COC1=CC(=C(C=C1)C=O)F,"InChI=1S/C8H7FO2/c1-11-7-3-2-6(5-10)8(9)4-7/h2-5H,1H3",UNWQNFJBBWXFBG-UHFFFAOYSA-N,C8H7FO2,154.14,154.0430076,1.5,26.3,138,0,0,3,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PROPACHLOR,001918-16-7,4931,2-chloro-N-phenyl-N-propan-2-ylacetamide,CC(C)N(C1=CC=CC=C1)C(=O)CCl,"InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",MFOUDYKPLGXPGO-UHFFFAOYSA-N,C11H14ClNO,211.69,211.0763918,2.2,20.3,188,0,0,1,3,14,,110 °C at 0.03 mm Hg,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"(1R,2S)-(-)-NOREPHEDRINE",000492-41-1,10297,"(1R,2S)-2-amino-1-phenylpropan-1-ol",C[C@@H]([C@@H](C1=CC=CC=C1)O)N,"InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m0/s1",DLNKOYKMWOXYQA-CBAPKCEASA-N,C9H13NO,151.21,151.099714,0.8,46.3,110,0,2,2,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-ALLYL-1,2-DIMETHOXYBENZENE",000093-15-2,7127,"1,2-dimethoxy-4-prop-2-enylbenzene",COC1=C(C=C(C=C1)CC=C)OC,"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3",ZYEMGPIYFIJGTP-UHFFFAOYSA-N,C11H14O2,178.23,178.0993797,2.5,18.5,156,0,0,2,4,13,"210 °F (NTP, 1992)","490.5 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,1,0,0
EUGENYL ACETATE,000093-28-7,7136,(2-methoxy-4-prop-2-enylphenyl) acetate,CC(=O)OC1=C(C=C(C=C1)CC=C)OC,"InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H3",SCCDQYPEOIRVGX-UHFFFAOYSA-N,C12H14O3,206.24,206.0942943,2.3,35.5,225,0,0,3,5,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-METHYLBENZYL ALCOHOL,000587-03-1,11476,(3-methylphenyl)methanol,CC1=CC(=CC=C1)CO,"InChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3",JJCKHVUTVOPLBV-UHFFFAOYSA-N,C8H10O,122.16,122.0731649,1.6,20.2,80,0,1,1,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DICHLOROANISOLE",000553-82-2,11119,"2,4-dichloro-1-methoxybenzene",COC1=C(C=C(C=C1)Cl)Cl,"InChI=1S/C7H6Cl2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3",CICQUFBZCADHHX-UHFFFAOYSA-N,C7H6Cl2O,177.02,175.9795702,3.3,9.2,108,0,0,1,1,10,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,6-DI-TERT-BUTYL-M-CRESOL",000497-39-2,10346,"2,4-ditert-butyl-5-methylphenol",CC1=CC(=C(C=C1C(C)(C)C)C(C)(C)C)O,"InChI=1S/C15H24O/c1-10-8-13(16)12(15(5,6)7)9-11(10)14(2,3)4/h8-9,16H,1-7H3",WYSSJDOPILWQDC-UHFFFAOYSA-N,C15H24O,220.35,220.1827154,5.3,20.2,231,0,1,1,2,16,,211 °C @ 100 MM HG,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
N-(PHENYLACETYL)GLYCINE,000500-98-1,68144,2-[(2-phenylacetyl)amino]acetic acid,C1=CC=C(C=C1)CC(=O)NCC(=O)O,"InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)",UTYVDVLMYQPLQB-UHFFFAOYSA-N,C10H11NO3,193.2,193.0738932,0.7,66.4,209,0,2,3,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3,5-BIS(TRIFLUOROMETHYL)ANILINE",000328-74-5,9480,"3,5-bis(trifluoromethyl)aniline",C1=C(C=C(C=C1C(F)(F)F)N)C(F)(F)F,"InChI=1S/C8H5F6N/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3H,15H2",CDIDGWDGQGVCIB-UHFFFAOYSA-N,C8H5F6N,229.12,229.0326181,3.6,26,198,0,1,7,0,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"3',4'-DIMETHOXYACETOPHENONE",001131-62-0,14328,"1-(3,4-dimethoxyphenyl)ethanone",CC(=O)C1=CC(=C(C=C1)OC)OC,"InChI=1S/C10H12O3/c1-7(11)8-4-5-9(12-2)10(6-8)13-3/h4-6H,1-3H3",IQZLUWLMQNGTIW-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,1.8,35.5,179,0,0,3,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
(S)-(+)-2- METHYLBUTYL P-TOLUENESULFONATE,038261-81-3,113324,[(2S)-2-methylbutyl] 4-methylbenzenesulfonate,CC[C@H](C)COS(=O)(=O)C1=CC=C(C=C1)C,"InChI=1S/C12H18O3S/c1-4-10(2)9-15-16(13,14)12-7-5-11(3)6-8-12/h5-8,10H,4,9H2,1-3H3/t10-/m0/s1",HPEVJTNZYIMANV-JTQLQIEISA-N,C12H18O3S,242.34,242.0976656,3.1,51.8,284,0,0,3,5,16,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,5-DINITROBENZYL ALCOHOL",071022-43-0,116978,"(3,5-dinitrophenyl)methanol",C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CO,"InChI=1S/C7H6N2O5/c10-4-5-1-6(8(11)12)3-7(2-5)9(13)14/h1-3,10H,4H2",GPHYIQCSMDYRGJ-UHFFFAOYSA-N,C7H6N2O5,198.13,198.0276713,0.7,112,211,0,1,5,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-NITROSOTOLUENE,000611-23-4,11909,1-methyl-2-nitrosobenzene,CC1=CC=CC=C1N=O,"InChI=1S/C7H7NO/c1-6-4-2-3-5-7(6)8-9/h2-5H,1H3",TWLBRQVYXPMCFK-UHFFFAOYSA-N,C7H7NO,121.14,121.0527638,1.7,29.4,103,0,0,2,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-CHLOROBENZALDEHYDE,000104-88-1,7726,4-chlorobenzaldehyde,C1=CC(=CC=C1C=O)Cl,InChI=1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H,AVPYQKSLYISFPO-UHFFFAOYSA-N,C7H5ClO,140.56,140.0028925,2.1,17.1,95,0,0,1,1,9,"190 °F (NTP, 1992)","415 to 417 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
3-TRIFLUOROMETHYLACETANILIDE,000351-36-0,9595,N-[3-(trifluoromethyl)phenyl]acetamide,CC(=O)NC1=CC=CC(=C1)C(F)(F)F,"InChI=1S/C9H8F3NO/c1-6(14)13-8-4-2-3-7(5-8)9(10,11)12/h2-5H,1H3,(H,13,14)",HNIPNANLYHXYDE-UHFFFAOYSA-N,C9H8F3NO,203.16,203.0557984,2.6,29.1,215,0,1,4,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CHLORO-6-NITROANISOLE,080866-77-9,548512,1-chloro-2-methoxy-3-nitrobenzene,COC1=C(C=CC=C1Cl)[N+](=O)[O-],"InChI=1S/C7H6ClNO3/c1-12-7-5(8)3-2-4-6(7)9(10)11/h2-4H,1H3",MSBUQNLLSANFDL-UHFFFAOYSA-N,C7H6ClNO3,187.58,187.0036207,2.4,55.1,171,0,0,3,1,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,5-DICHLOROSALICYLIC ACID",000320-72-9,9445,"3,5-dichloro-2-hydroxybenzoic acid",C1=C(C=C(C(=C1C(=O)O)O)Cl)Cl,"InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)",CNJGWCQEGROXEE-UHFFFAOYSA-N,C7H4Cl2O3,207.01,205.9537494,2.9,57.5,185,0,2,3,1,12,,"BP: SUBLIMES, SLIGHT DECOMP",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-AMINOBENZAMIDE,003544-24-9,1645,3-aminobenzamide,C1=CC(=CC(=C1)N)C(=O)N,"InChI=1S/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10)",GSCPDZHWVNUUFI-UHFFFAOYSA-N,C7H8N2O,136.15,136.0636629,-0.5,69.1,136,0,2,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
META-ANISIC ACID,000586-38-9,11461,3-methoxybenzoic acid,COC1=CC=CC(=C1)C(=O)O,"InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)",XHQZJYCNDZAGLW-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,2,46.5,144,0,1,3,2,11,,170.00 to 172.00 °C. @ 10.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-BROMOBENZONITRILE,002042-37-7,16272,2-bromobenzonitrile,C1=CC=C(C(=C1)C#N)Br,InChI=1S/C7H4BrN/c8-7-4-2-1-3-6(7)5-9/h1-4H,AFMPMSCZPVNPEM-UHFFFAOYSA-N,C7H4BrN,182.02,180.95271,2.1,23.8,135,0,0,1,0,9,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHYLBENZYL CYANIDE,002947-61-7,76280,2-(4-methylphenyl)acetonitrile,CC1=CC=C(C=C1)CC#N,"InChI=1S/C9H9N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6H2,1H3",RNHKXHKUKJXLAU-UHFFFAOYSA-N,C9H9N,131.17,131.0734993,2.1,23.8,134,0,0,1,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-MERCAPTOPHENYLBORONIC ACID,237429-33-3,4431894,(4-sulfanylphenyl)boronic acid,B(C1=CC=C(C=C1)S)(O)O,"InChI=1S/C6H7BO2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,8-10H",AUVSUPMVIZXUOG-UHFFFAOYSA-N,C6H7BO2S,154,154.0259808,,41.5,102,0,3,3,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-NITROCATECHOL,003316-09-4,3505109,"4-nitrobenzene-1,2-diol",C1=CC(=C(C=C1[N+](=O)[O-])O)O,"InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H",XJNPNXSISMKQEX-UHFFFAOYSA-N,C6H5NO4,155.11,155.0218576,1.7,86.3,155,0,2,4,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-ACETYLSALICYLAMIDE,040187-51-7,198212,5-acetyl-2-hydroxybenzamide,CC(=O)C1=CC(=C(C=C1)O)C(=O)N,"InChI=1S/C9H9NO3/c1-5(11)6-2-3-8(12)7(4-6)9(10)13/h2-4,12H,1H3,(H2,10,13)",LWAQTCWTCCNHJR-UHFFFAOYSA-N,C9H9NO3,179.17,179.0582431,1.6,80.4,227,0,2,3,2,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BUTYLBENZOIC ACID,020651-71-2,88631,4-butylbenzoic acid,CCCCC1=CC=C(C=C1)C(=O)O,"InChI=1S/C11H14O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3,(H,12,13)",JFKUBRAOUZEZSL-UHFFFAOYSA-N,C11H14O2,178.23,178.0993797,4,37.3,157,0,1,2,4,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-DODECYLANILINE,000104-42-7,7701,4-dodecylaniline,CCCCCCCCCCCCC1=CC=C(C=C1)N,"InChI=1S/C18H31N/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h13-16H,2-12,19H2,1H3",KLPPPIIIEMUEGP-UHFFFAOYSA-N,C18H31N,261.4,261.24565,7.2,26,182,0,1,1,11,19,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"N,N-DIMETHYLBENZAMIDE",000611-74-5,11916,"N,N-dimethylbenzamide",CN(C)C(=O)C1=CC=CC=C1,"InChI=1S/C9H11NO/c1-10(2)9(11)8-6-4-3-5-7-8/h3-7H,1-2H3",IMNDHOCGZLYMRO-UHFFFAOYSA-N,C9H11NO,149.19,149.084064,0.6,20.3,136,0,0,1,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-FLUOROPHENETHYL ALCOHOL,007589-27-7,82068,2-(4-fluorophenyl)ethanol,C1=CC(=CC=C1CCO)F,"InChI=1S/C8H9FO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2",MWUVGXCUHWKQJE-UHFFFAOYSA-N,C8H9FO,140.15,140.0637431,0.9,20.2,87,0,1,2,2,10,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHYL 3,4-DIHYDROXYBENZOATE",002150-43-8,287064,"methyl 3,4-dihydroxybenzoate",COC(=O)C1=CC(=C(C=C1)O)O,"InChI=1S/C8H8O4/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,9-10H,1H3",CUFLZUDASVUNOE-UHFFFAOYSA-N,C8H8O4,168.15,168.0422587,1.5,66.8,168,0,2,4,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-AMINO-META-CRESOL,002835-98-5,76082,2-amino-5-methylphenol,CC1=CC(=C(C=C1)N)O,"InChI=1S/C7H9NO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3",HCPJEHJGFKWRFM-UHFFFAOYSA-N,C7H9NO,123.15,123.0684139,1.2,46.3,94,0,2,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
2-AMINO-4-TERT-BUTYLPHENOL,001199-46-8,70982,2-amino-4-tert-butylphenol,CC(C)(C)C1=CC(=C(C=C1)O)N,"InChI=1S/C10H15NO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,11H2,1-3H3",RPJUVNYXHUCRMG-UHFFFAOYSA-N,C10H15NO,165.23,165.1153641,2.5,46.3,150,0,2,2,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINOBENZYL ALCOHOL,005344-90-1,21439,(2-aminophenyl)methanol,C1=CC=C(C(=C1)CO)N,"InChI=1S/C7H9NO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5,8H2",VYFOAVADNIHPTR-UHFFFAOYSA-N,C7H9NO,123.15,123.0684139,1.1,46.3,85,0,2,2,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CINNAMYLIDENEMALONIC ACID,004472-92-8,822797,2-[(E)-3-phenylprop-2-enylidene]propanedioic acid,C1=CC=C(C=C1)/C=C/C=C(C(=O)O)C(=O)O,"InChI=1S/C12H10O4/c13-11(14)10(12(15)16)8-4-7-9-5-2-1-3-6-9/h1-8H,(H,13,14)(H,15,16)/b7-4+",BLPUXJIIRIWMSQ-QPJJXVBHSA-N,C12H10O4,218.2,218.0579088,3.4,74.6,306,0,2,4,4,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4,5-DICHLOROPHTHALONITRILE",139152-08-2,853747,"4,5-dichlorobenzene-1,2-dicarbonitrile",C1=C(C(=CC(=C1Cl)Cl)C#N)C#N,InChI=1S/C8H2Cl2N2/c9-7-1-5(3-11)6(4-12)2-8(7)10/h1-2H,SRIJSZQFAMLVQV-UHFFFAOYSA-N,C8H2Cl2N2,197.02,195.9595035,2.6,47.6,231,0,0,2,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-HYDROXYBENZOIC ACID, 2-HYDROXYETHYL ESTER",000087-28-5,6880,2-hydroxyethyl 2-hydroxybenzoate,C1=CC=C(C(=C1)C(=O)OCCO)O,"InChI=1S/C9H10O4/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4,10-11H,5-6H2",LVYLCBNXHHHPSB-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,1.9,66.8,169,0,2,4,4,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
N-METHYLFORMANILIDE,000093-61-8,66737,N-methyl-N-phenylformamide,CN(C=O)C1=CC=CC=C1,"InChI=1S/C8H9NO/c1-9(7-10)8-5-3-2-4-6-8/h2-7H,1H3",JIKUXBYRTXDNIY-UHFFFAOYSA-N,C8H9NO,135.16,135.0684139,1.1,20.3,108,0,0,1,1,10,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"BENZENE, 2-CHLORO-1,4-DIMETHYL-",000095-72-7,32883,"2-chloro-1,4-dimethylbenzene",CC1=CC(=C(C=C1)C)Cl,"InChI=1S/C8H9Cl/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3",KZNRNQGTVRTDPN-UHFFFAOYSA-N,C8H9Cl,140.61,140.039278,3.3,0,90,0,0,0,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-METHOXY-2,4-DINITROBENZENE",000119-27-7,8385,"1-methoxy-2,4-dinitrobenzene",COC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C7H6N2O5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3",CVYZVNVPQRKDLW-UHFFFAOYSA-N,C7H6N2O5,198.13,198.0276713,2,101,233,0,0,5,1,14,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-(3-HYDROXYPHENYL)ETHANONE,000121-71-1,8487,1-(3-hydroxyphenyl)ethanone,CC(=O)C1=CC(=CC=C1)O,"InChI=1S/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H3",LUJMEECXHPYQOF-UHFFFAOYSA-N,C8H8O2,136.15,136.0524295,1.4,37.3,131,0,1,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4'-FORMYLACETANILIDE,000122-85-0,73942,N-(4-formylphenyl)acetamide,CC(=O)NC1=CC=C(C=C1)C=O,"InChI=1S/C9H9NO2/c1-7(12)10-9-4-2-8(6-11)3-5-9/h2-6H,1H3,(H,10,12)",SKLUWKYNZNXSLX-UHFFFAOYSA-N,C9H9NO2,163.17,163.0633285,1.1,46.2,171,0,1,2,2,12,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4-TRIMETHOXYBENZENE",000135-77-3,67284,"1,2,4-trimethoxybenzene",COC1=CC(=C(C=C1)OC)OC,"InChI=1S/C9H12O3/c1-10-7-4-5-8(11-2)9(6-7)12-3/h4-6H,1-3H3",AGIQIOSHSMJYJP-UHFFFAOYSA-N,C9H12O3,168.19,168.0786442,2.1,27.7,127,0,0,3,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LIDOCAINE,000137-58-6,3676,"2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide",CCN(CC)CC(=O)NC1=C(C=CC=C1C)C,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)",NNJVILVZKWQKPM-UHFFFAOYSA-N,C14H22N2O,234.34,234.1732133,2.3,32.3,228,0,1,2,5,17,,159-160 °C at 2.00E+00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-HEXADECANAMINIUM, N,N,N-TRIMETHYL-, SALT WITH 4-METHYLBENZENESULFONIC ACID",000138-32-9,9868636,hexadecyl(trimethyl)azanium;4-methylbenzenesulfonate,CCCCCCCCCCCCCCCC[N+](C)(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-],"InChI=1S/C19H42N.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-19H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",MZMRZONIDDFOGF-UHFFFAOYSA-M,C26H49NO3S,455.7,455.3433156,,65.6,374,0,0,3,15,31,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4,4-TRIFLUORO-1-PHENYL-1,3-BUTANEDIONE",000326-06-7,67589,"4,4,4-trifluoro-1-phenylbutane-1,3-dione",C1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F,"InChI=1S/C10H7F3O2/c11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h1-5H,6H2",VVXLFFIFNVKFBD-UHFFFAOYSA-N,C10H7F3O2,216.16,216.039814,2.6,34.1,252,0,0,5,3,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-PENTADECYLPHENOL,000501-24-6,68146,3-pentadecylphenol,CCCCCCCCCCCCCCCC1=CC(=CC=C1)O,"InChI=1S/C21H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h15,17-19,22H,2-14,16H2,1H3",PTFIPECGHSYQNR-UHFFFAOYSA-N,C21H36O,304.5,304.2766158,9.4,20.2,226,0,1,1,14,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2'-METHOXYACETOPHENONE,000579-74-8,68481,1-(2-methoxyphenyl)ethanone,CC(=O)C1=CC=CC=C1OC,"InChI=1S/C9H10O2/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6H,1-2H3",DWPLEOPKBWNPQV-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,1.8,26.3,142,0,0,2,2,11,,245.00 to 248.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
PROPYL TOLUENE-4-SULPHONATE,000599-91-7,69035,propyl 4-methylbenzenesulfonate,CCCOS(=O)(=O)C1=CC=C(C=C1)C,"InChI=1S/C10H14O3S/c1-3-8-13-14(11,12)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3",JTTWNTXHFYNETH-UHFFFAOYSA-N,C10H14O3S,214.28,214.0663655,2.3,51.8,245,0,0,3,4,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-NITROPHENYLACETONITRILE,000610-66-2,11888,2-(2-nitrophenyl)acetonitrile,C1=CC=C(C(=C1)CC#N)[N+](=O)[O-],"InChI=1S/C8H6N2O2/c9-6-5-7-3-1-2-4-8(7)10(11)12/h1-4H,5H2",YPRFCQAWSNWRLM-UHFFFAOYSA-N,C8H6N2O2,162.15,162.0429274,1.8,69.6,213,0,0,3,1,12,,"352 °F at 12 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-METHYLBENZAMIDE,000613-93-4,11954,N-methylbenzamide,CNC(=O)C1=CC=CC=C1,"InChI=1S/C8H9NO/c1-9-8(10)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)",NCCHARWOCKOHIH-UHFFFAOYSA-N,C8H9NO,135.16,135.0684139,0.9,29.1,116,0,1,1,1,10,,"556 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-IODOBENZENAMINE,000615-43-0,11995,2-iodoaniline,C1=CC=C(C(=C1)N)I,"InChI=1S/C6H6IN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2",UBPDKIDWEADHPP-UHFFFAOYSA-N,C6H6IN,219.02,218.9545,2.3,26,74,0,1,1,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL 3-BROMOBENZOATE,000618-89-3,12070,methyl 3-bromobenzoate,COC(=O)C1=CC(=CC=C1)Br,"InChI=1S/C8H7BrO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3",KMFJVYMFCAIRAN-UHFFFAOYSA-N,C8H7BrO2,215.04,213.96294,2.9,26.3,147,0,0,2,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-CHLORO-4-METHOXYBENZENE,000623-12-1,12167,1-chloro-4-methoxybenzene,COC1=CC=C(C=C1)Cl,"InChI=1S/C7H7ClO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3",YRGAYAGBVIXNAQ-UHFFFAOYSA-N,C7H7ClO,142.58,142.0185425,2.8,9.2,77,0,0,1,1,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-METHYL-4-(METHYLTHIO)BENZENE,000623-13-2,69334,1-methyl-4-methylsulfanylbenzene,CC1=CC=C(C=C1)SC,"InChI=1S/C8H10S/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3",VHILIAIEEYLJNA-UHFFFAOYSA-N,C8H10S,138.23,138.0503215,3.2,25.3,72,0,0,1,1,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
P-TOLUENESULFONIC ACID N-BUTYL ESTER,000778-28-9,13066,butyl 4-methylbenzenesulfonate,CCCCOS(=O)(=O)C1=CC=C(C=C1)C,"InChI=1S/C11H16O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3",QYJXDIUNDMRLAO-UHFFFAOYSA-N,C11H16O3S,228.31,228.0820155,2.7,51.8,258,0,0,3,5,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMO-2-NITROBENZENAMINE,000875-51-4,70132,4-bromo-2-nitroaniline,C1=CC(=C(C=C1Br)[N+](=O)[O-])N,"InChI=1S/C6H5BrN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2",ZCWBZRBJSPWUPG-UHFFFAOYSA-N,C6H5BrN2O2,217.02,215.95344,1.9,71.8,159,0,1,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"1,4-BENZENEDICARBOXYLIC ACID, DI-2-PROPENYL ESTER",001026-92-2,66102,"bis(prop-2-enyl) benzene-1,4-dicarboxylate",C=CCOC(=O)C1=CC=C(C=C1)C(=O)OCC=C,"InChI=1S/C14H14O4/c1-3-9-17-13(15)11-5-7-12(8-6-11)14(16)18-10-4-2/h3-8H,1-2,9-10H2",ZDNFTNPFYCKVTB-UHFFFAOYSA-N,C14H14O4,246.26,246.0892089,2.9,52.6,282,0,0,4,8,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-BENZENEDICARBOXYLIC ACID, DI-2-PROPENYL ESTER",001087-21-4,66183,"bis(prop-2-enyl) benzene-1,3-dicarboxylate",C=CCOC(=O)C1=CC(=CC=C1)C(=O)OCC=C,"InChI=1S/C14H14O4/c1-3-8-17-13(15)11-6-5-7-12(10-11)14(16)18-9-4-2/h3-7,10H,1-2,8-9H2",OOORLLSLMPBSPT-UHFFFAOYSA-N,C14H14O4,246.26,246.0892089,2.9,52.6,292,0,0,4,8,18,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"2,6-DIMETHOXYBENZOIC ACID",001466-76-8,15109,"2,6-dimethoxybenzoic acid",COC1=C(C(=CC=C1)OC)C(=O)O,"InChI=1S/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)",MBIZFBDREVRUHY-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,0.7,55.8,168,0,1,4,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL 4-FORMYLBENZOATE,001571-08-0,15294,methyl 4-formylbenzoate,COC(=O)C1=CC=C(C=C1)C=O,"InChI=1S/C9H8O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-6H,1H3",FEIOASZZURHTHB-UHFFFAOYSA-N,C9H8O3,164.16,164.0473441,1.7,43.4,169,0,0,3,3,12,,"509 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BENZENEDICARBOXYLIC ACID, DIHYDRAZIDE",002760-98-7,72700,"benzene-1,3-dicarbohydrazide",C1=CC(=CC(=C1)C(=O)NN)C(=O)NN,"InChI=1S/C8H10N4O2/c9-11-7(13)5-2-1-3-6(4-5)8(14)12-10/h1-4H,9-10H2,(H,11,13)(H,12,14)",UTTHLMXOSUFZCQ-UHFFFAOYSA-N,C8H10N4O2,194.19,194.0803756,-0.9,110,209,0,4,4,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-AMINOBENZAMIDE,002835-68-9,76079,4-aminobenzamide,C1=CC(=CC=C1C(=O)N)N,"InChI=1S/C7H8N2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10)",QIKYZXDTTPVVAC-UHFFFAOYSA-N,C7H8N2O,136.15,136.0636629,-0.4,69.1,128,0,2,2,1,10,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINO-1-PHENYLETHANONE HYDROCHLORIDE,005468-37-1,2723597,2-amino-1-phenylethanone;hydrochloride,C1=CC=C(C=C1)C(=O)CN.Cl,"InChI=1S/C8H9NO.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h1-5H,6,9H2;1H",CVXGFPPAIUELDV-UHFFFAOYSA-N,C8H10ClNO,171.62,171.0450916,,43.1,116,0,2,2,2,11,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(4-HYDROXYPHENYL)-2-BUTANONE,005471-51-2,21648,4-(4-hydroxyphenyl)butan-2-one,CC(=O)CCC1=CC=C(C=C1)O,"InChI=1S/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3",NJGBTKGETPDVIK-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,1.5,37.3,146,0,1,2,3,12,,Decomposes,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,5-DIMETHOXYBENZENAMINE",010272-07-8,66301,"3,5-dimethoxyaniline",COC1=CC(=CC(=C1)N)OC,"InChI=1S/C8H11NO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,9H2,1-2H3",WNRGWPVJGDABME-UHFFFAOYSA-N,C8H11NO2,153.18,153.0789786,1.3,44.5,107,0,1,3,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMO-4-NITROANILINE,013296-94-1,25840,2-bromo-4-nitroaniline,C1=CC(=C(C=C1[N+](=O)[O-])Br)N,"InChI=1S/C6H5BrN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2",CGPPWNTVTNCHDO-UHFFFAOYSA-N,C6H5BrN2O2,217.02,215.95344,2.3,71.8,159,0,1,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"4-NITRO-1,2-BENZENEDICARBONITRILE",031643-49-9,97443,"4-nitrobenzene-1,2-dicarbonitrile",C1=CC(=C(C=C1[N+](=O)[O-])C#N)C#N,InChI=1S/C8H3N3O2/c9-4-6-1-2-8(11(12)13)3-7(6)5-10/h1-3H,NTZMSBAAHBICLE-UHFFFAOYSA-N,C8H3N3O2,173.13,173.0225263,1.2,93.4,302,0,0,4,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,5-TRIMETHOXYBENZOIC ACID",000490-64-2,10276,"2,4,5-trimethoxybenzoic acid",COC1=CC(=C(C=C1C(=O)O)OC)OC,"InChI=1S/C10H12O5/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12/h4-5H,1-3H3,(H,11,12)",KVZUCOGWKYOPID-UHFFFAOYSA-N,C10H12O5,212.2,212.0684735,1.4,65,218,0,1,5,4,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-METHOXYPHENYLBORONIC ACID,010365-98-7,2734370,(3-methoxyphenyl)boronic acid,B(C1=CC(=CC=C1)OC)(O)O,"InChI=1S/C7H9BO3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5,9-10H,1H3",NLLGFYPSWCMUIV-UHFFFAOYSA-N,C7H9BO3,151.96,152.0644743,,49.7,118,0,2,3,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-METHOXYPHENYLBORONIC ACID,005720-06-9,2733958,(2-methoxyphenyl)boronic acid,B(C1=CC=CC=C1OC)(O)O,"InChI=1S/C7H9BO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5,9-10H,1H3",ROEQGIFOWRQYHD-UHFFFAOYSA-N,C7H9BO3,151.96,152.0644743,,49.7,118,0,2,3,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-OCTYLANILINE,016245-79-7,85346,4-octylaniline,CCCCCCCCC1=CC=C(C=C1)N,"InChI=1S/C14H23N/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-8,15H2,1H3",ORKQJTBYQZITLA-UHFFFAOYSA-N,C14H23N,205.34,205.1830497,5,26,136,0,1,1,7,15,,,1,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-NITROPHENYLBORONIC ACID,024067-17-2,2773552,(4-nitrophenyl)boronic acid,B(C1=CC=C(C=C1)[N+](=O)[O-])(O)O,"InChI=1S/C6H6BNO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,9-10H",NSFJAFZHYOAMHL-UHFFFAOYSA-N,C6H6BNO4,166.93,167.0389878,,86.3,161,0,2,4,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4'-TERT-BUTYL-2, 2, 2-TRIFLUOROACETOPHENONE",073471-97-3,2757348,"1-(4-tert-butylphenyl)-2,2,2-trifluoroethanone",CC(C)(C)C1=CC=C(C=C1)C(=O)C(F)(F)F,"InChI=1S/C12H13F3O/c1-11(2,3)9-6-4-8(5-7-9)10(16)12(13,14)15/h4-7H,1-3H3",JGHXRQPPRZMKDB-UHFFFAOYSA-N,C12H13F3O,230.23,230.0918495,3.8,17.1,254,0,0,4,2,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-PHENYLETHANETHIOL,004410-99-5,78126,2-phenylethanethiol,C1=CC=C(C=C1)CCS,"InChI=1S/C8H10S/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2",ZMRFRBHYXOQLDK-UHFFFAOYSA-N,C8H10S,138.23,138.0503215,2.6,1,65,0,1,1,2,9,,217.00 to 218.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3,4,5,6-TETRAFLUOROBENZENE-1,2-DICARBONITRILE",001835-65-0,74600,"3,4,5,6-tetrafluorobenzene-1,2-dicarbonitrile",C(#N)C1=C(C(=C(C(=C1F)F)F)F)C#N,InChI=1S/C8F4N2/c9-5-3(1-13)4(2-14)6(10)8(12)7(5)11,OFLRJMBSWDXSPG-UHFFFAOYSA-N,C8F4N2,200.09,199.9997607,1.8,47.6,282,0,0,6,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-METHOXY-1,3-BENZENEDIOL",006100-60-3,3083936,"4-methoxybenzene-1,3-diol",COC1=C(C=C(C=C1)O)O,"InChI=1S/C7H8O3/c1-10-7-3-2-5(8)4-6(7)9/h2-4,8-9H,1H3",GPJJASIJVRXZFI-UHFFFAOYSA-N,C7H8O3,140.14,140.0473441,0.5,49.7,105,0,2,3,1,10,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
O-PHENYLENEDIACETONITRILE,000613-73-0,69180,2-[2-(cyanomethyl)phenyl]acetonitrile,C1=CC=C(C(=C1)CC#N)CC#N,"InChI=1S/C10H8N2/c11-7-5-9-3-1-2-4-10(9)6-8-12/h1-4H,5-6H2",FWPFXBANOKKNBR-UHFFFAOYSA-N,C10H8N2,156.18,156.0687483,1.2,47.6,201,0,0,2,2,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-AMINOBENZYL CYANIDE,003544-25-0,77000,2-(4-aminophenyl)acetonitrile,C1=CC(=CC=C1CC#N)N,"InChI=1S/C8H8N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5,10H2",YCWRFIYBUQBHJI-UHFFFAOYSA-N,C8H8N2,132.16,132.0687483,1.2,49.8,137,0,1,2,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-(BENZYLAMINO)PROPIONITRILE,000706-03-6,69719,3-(benzylamino)propanenitrile,C1=CC=C(C=C1)CNCCC#N,"InChI=1S/C10H12N2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,8-9H2",MWTGBAURSCEGSL-UHFFFAOYSA-N,C10H12N2,160.22,160.1000484,1,35.8,150,0,1,2,4,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZYLIDENEMALONONITRILE,002700-22-3,17608,2-benzylidenepropanedinitrile,C1=CC=C(C=C1)C=C(C#N)C#N,InChI=1S/C10H6N2/c11-7-10(8-12)6-9-4-2-1-3-5-9/h1-6H,WAVNYPVYNSIHNC-UHFFFAOYSA-N,C10H6N2,154.17,154.0530982,2.2,47.6,247,0,0,2,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMO-3-METHYLANILINE,006933-10-4,23359,4-bromo-3-methylaniline,CC1=C(C=CC(=C1)N)Br,"InChI=1S/C7H8BrN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3",MMEGELSFOYDPQW-UHFFFAOYSA-N,C7H8BrN,186.05,184.98401,2.9,26,94,0,1,1,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-IODOPHTHALONITRILE,069518-17-8,4120024,"4-iodobenzene-1,2-dicarbonitrile",C1=CC(=C(C=C1I)C#N)C#N,InChI=1S/C8H3IN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H,OOHQHYJZUSXMFD-UHFFFAOYSA-N,C8H3IN2,254.03,253.9341,2,47.6,231,0,0,2,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-CYANOPHENOL,000873-62-1,13394,3-hydroxybenzonitrile,C1=CC(=CC(=C1)O)C#N,"InChI=1S/C7H5NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H",SGHBRHKBCLLVCI-UHFFFAOYSA-N,C7H5NO,119.12,119.0371138,1.7,44,135,0,1,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIMETHOXY-4-METHYLPHENOL",006638-05-7,240925,"2,6-dimethoxy-4-methylphenol",CC1=CC(=C(C(=C1)OC)O)OC,"InChI=1S/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5,10H,1-3H3",ZFBNNSOJNZBLLS-UHFFFAOYSA-N,C9H12O3,168.19,168.0786442,1.9,38.7,124,0,1,3,2,12,,145.00 to 146.00 °C. @ 14.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINO-3-NITROBENZOIC ACID,000606-18-8,219633,2-amino-3-nitrobenzoic acid,C1=CC(=C(C(=C1)[N+](=O)[O-])N)C(=O)O,"InChI=1S/C7H6N2O4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,8H2,(H,10,11)",JJPIVRWTAGQTPQ-UHFFFAOYSA-N,C7H6N2O4,182.13,182.0327567,1.1,109,225,0,2,5,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-CHLORO-O-CRESOL,005306-98-9,79192,5-chloro-2-methylphenol,CC1=C(C=C(C=C1)Cl)O,"InChI=1S/C7H7ClO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,1H3",KKFPXGXMSBBNJI-UHFFFAOYSA-N,C7H7ClO,142.58,142.0185425,2.6,20.2,94,0,1,1,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BROMO-2-HYDROXYBENZONITRILE,013073-28-4,12468680,3-bromo-2-hydroxybenzonitrile,C1=CC(=C(C(=C1)Br)O)C#N,"InChI=1S/C7H4BrNO/c8-6-3-1-2-5(4-9)7(6)10/h1-3,10H",BUWXNBPLRLEXOZ-UHFFFAOYSA-N,C7H4BrNO,198.02,196.94763,2.5,44,162,0,1,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
M-FORMYLBENZONITRILE,024964-64-5,90670,3-formylbenzonitrile,C1=CC(=CC(=C1)C#N)C=O,"InChI=1S/C8H5NO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,6H",HGZJJKZPPMFIBU-UHFFFAOYSA-N,C8H5NO,131.13,131.0371138,1.2,40.9,167,0,0,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMO-5-CHLOROBENZALDEHYDE,174265-12-4,15391279,2-bromo-5-chlorobenzaldehyde,C1=CC(=C(C=C1Cl)C=O)Br,InChI=1S/C7H4BrClO/c8-7-2-1-6(9)3-5(7)4-10/h1-4H,IIISHLMCTDMUHH-UHFFFAOYSA-N,C7H4BrClO,219.46,217.91341,2.7,17.1,129,0,0,1,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-STYRENESULFONIC ACID SODIUM SALT HYDRATE,123333-94-8,23681144,sodium;4-ethenylbenzenesulfonate;hydrate,C=CC1=CC=C(C=C1)S(=O)(=O)[O-].O.[Na+],"InChI=1S/C8H8O3S.Na.H2O/c1-2-7-3-5-8(6-4-7)12(9,10)11;;/h2-6H,1H2,(H,9,10,11);;1H2/q;+1;/p-1",AATHLPHPRXGBAI-UHFFFAOYSA-M,C8H9NaO4S,224.21,224.0119242,,66.6,247,0,1,4,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BORONOBENZOIC ACID,014047-29-1,312183,4-boronobenzoic acid,B(C1=CC=C(C=C1)C(=O)O)(O)O,"InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)",SIAVMDKGVRXFAX-UHFFFAOYSA-N,C7H7BO4,165.94,166.0437389,,77.8,163,0,3,4,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZAMIDE-15N,031656-62-9,12196680,(15N)benzamide,C1=CC=C(C=C1)C(=O)[15NH2],"InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)/i8+1",KXDAEFPNCMNJSK-VJJZLTLGSA-N,C7H7NO,122.13,122.0497987,0.6,43.1,105,0,1,1,1,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZAMIDE-CARBONYL-13C,088058-12-2,12196677,(13C)benzamide,C1=CC=C(C=C1)[13C](=O)N,"InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)/i7+1",KXDAEFPNCMNJSK-CDYZYAPPSA-N,C7H7NO,122.13,122.0561187,0.6,43.1,105,0,1,1,1,9,,,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"BENZENE-1,3,5-TRICARBOXALDEHYDE",003163-76-6,2747968,"benzene-1,3,5-tricarbaldehyde",C1=C(C=C(C=C1C=O)C=O)C=O,InChI=1S/C9H6O3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-6H,AEKQNAANFVOBCU-UHFFFAOYSA-N,C9H6O3,162.14,162.031694,0.3,51.2,143,0,0,3,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-NITRO-2-TOLUONITRILE,001885-76-3,74669,2-methyl-6-nitrobenzonitrile,CC1=C(C(=CC=C1)[N+](=O)[O-])C#N,"InChI=1S/C8H6N2O2/c1-6-3-2-4-8(10(11)12)7(6)5-9/h2-4H,1H3",BOTPDHNZLRJZOO-UHFFFAOYSA-N,C8H6N2O2,162.15,162.0429274,1.8,69.6,225,0,0,3,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CYANOPHENYLPYRUVIC ACID ETHYL ESTER,006362-63-6,22845,ethyl 3-cyano-2-oxo-3-phenylpropanoate,CCOC(=O)C(=O)C(C#N)C1=CC=CC=C1,"InChI=1S/C12H11NO3/c1-2-16-12(15)11(14)10(8-13)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3",YWNRATDDUSMBPR-UHFFFAOYSA-N,C12H11NO3,217.22,217.0738932,1.9,67.2,309,0,0,4,5,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-AMINOMETHYLPHENYLBORONIC ACID HYDROCHLORIDE,075705-21-4,2734311,[4-(aminomethyl)phenyl]boronic acid;hydrochloride,B(C1=CC=C(C=C1)CN)(O)O.Cl,"InChI=1S/C7H10BNO2.ClH/c9-5-6-1-3-7(4-2-6)8(10)11;/h1-4,10-11H,5,9H2;1H",HUZNRXFJHYNUMV-UHFFFAOYSA-N,C7H11BClNO2,187.43,187.0571365,,66.5,113,0,4,3,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DIFLUOROANILINE",000372-39-4,96595,"3,5-difluoroaniline",C1=C(C=C(C=C1F)F)N,"InChI=1S/C6H5F2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2",KQOIBXZRCYFZSO-UHFFFAOYSA-N,C6H5F2N,129.11,129.0390055,1.4,26,87,0,1,3,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ETHYL 4-BROMOPHENYLACETATE,014062-25-0,7020609,ethyl 2-(4-bromophenyl)acetate,CCOC(=O)CC1=CC=C(C=C1)Br,"InChI=1S/C10H11BrO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3",ZFDCWHPNBWPPHG-UHFFFAOYSA-N,C10H11BrO2,243.1,241.99424,3,26.3,162,0,0,2,4,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DIAMINO-1,4-BENZENEDITHIOL DIHYDROCHLORIDE",075464-52-7,14618269,"2,5-diaminobenzene-1,4-dithiol;dihydrochloride",C1=C(C(=CC(=C1S)N)S)N.Cl.Cl,"InChI=1S/C6H8N2S2.2ClH/c7-3-1-5(9)4(8)2-6(3)10;;/h1-2,9-10H,7-8H2;2*1H",HVXLKRWRWNFGBA-UHFFFAOYSA-N,C6H10Cl2N2S2,245.2,243.9662461,,54,106,0,6,4,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHENYL TRIFLUOROMETHYL  SULFONE,000426-58-4,555605,trifluoromethylsulfonylbenzene,C1=CC=C(C=C1)S(=O)(=O)C(F)(F)F,"InChI=1S/C7H5F3O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5H",UPGBQYFXKAKWQC-UHFFFAOYSA-N,C7H5F3O2S,210.18,209.9962351,2.7,42.5,256,0,0,5,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIETHYLSALICYLAMIDE",019311-91-2,88006,"N,N-diethyl-2-hydroxybenzamide",CCN(CC)C(=O)C1=CC=CC=C1O,"InChI=1S/C11H15NO2/c1-3-12(4-2)11(14)9-7-5-6-8-10(9)13/h5-8,13H,3-4H2,1-2H3",ZVYXEXAXXWINEH-UHFFFAOYSA-N,C11H15NO2,193.24,193.1102787,1.2,40.5,190,0,1,2,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BROMOPHENYLACETONE,021906-32-1,2734093,1-(3-bromophenyl)propan-2-one,CC(=O)CC1=CC(=CC=C1)Br,"InChI=1S/C9H9BrO/c1-7(11)5-8-3-2-4-9(10)6-8/h2-4,6H,5H2,1H3",FQIZFAJMBXZVOL-UHFFFAOYSA-N,C9H9BrO,213.07,211.98368,2.5,17.1,144,0,0,1,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-METHYL-4-NITROPHENOL,000099-53-6,7442,2-methyl-4-nitrophenol,CC1=C(C=CC(=C1)[N+](=O)[O-])O,"InChI=1S/C7H7NO3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3",KDQPMQNHVQVVMR-UHFFFAOYSA-N,C7H7NO3,153.14,153.0425931,1.2,66.1,154,0,1,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-DIAMINOPHENOL",059649-56-8,579937,"2,3-diaminophenol",C1=CC(=C(C(=C1)O)N)N,"InChI=1S/C6H8N2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H,7-8H2",PCAXITAPTVOLGL-UHFFFAOYSA-N,C6H8N2O,124.14,124.0636629,0.2,72.3,97,0,3,3,0,9,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-(4-HYDROXY-3-METHOXYPHENYL)PROPIONIC ACID,001135-23-5,14340,3-(4-hydroxy-3-methoxyphenyl)propanoic acid,COC1=C(C=CC(=C1)CCC(=O)O)O,"InChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)",BOLQJTPHPSDZHR-UHFFFAOYSA-N,C10H12O4,196.2,196.0735589,0.7,66.8,193,0,2,4,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-DODECYLANILINE,003007-74-7,76362,N-dodecylaniline,CCCCCCCCCCCCNC1=CC=CC=C1,"InChI=1S/C18H31N/c1-2-3-4-5-6-7-8-9-10-14-17-19-18-15-12-11-13-16-18/h11-13,15-16,19H,2-10,14,17H2,1H3",LQKYCMRSWKQVBQ-UHFFFAOYSA-N,C18H31N,261.4,261.24565,7.5,12,173,0,1,1,12,19,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
5-BROMO-2-FLUOROBENZONITRILE,179897-89-3,2724900,5-bromo-2-fluorobenzonitrile,C1=CC(=C(C=C1Br)C#N)F,InChI=1S/C7H3BrFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,GYCNHFWRPJXTSB-UHFFFAOYSA-N,C7H3BrFN,200.01,198.94329,2.4,23.8,162,0,0,2,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DICHLOROBENZONITRILE",021663-61-6,89000,"2,5-dichlorobenzonitrile",C1=CC(=C(C=C1Cl)C#N)Cl,InChI=1S/C7H3Cl2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,LNGWRTKJZCBXGT-UHFFFAOYSA-N,C7H3Cl2N,172.01,170.9642545,2.6,23.8,160,0,0,1,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DIHYDROXYBENZONITRILE",019179-36-3,87952,"3,5-dihydroxybenzonitrile",C1=C(C=C(C=C1O)O)C#N,"InChI=1S/C7H5NO2/c8-4-5-1-6(9)3-7(10)2-5/h1-3,9-10H",ABHOEQJNEOMTEK-UHFFFAOYSA-N,C7H5NO2,135.12,135.0320284,0.9,64.3,150,0,2,3,0,10,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZYLTRIBUTYLAMMONIUM BROMIDE,025316-59-0,124611,benzyl(tributyl)azanium,CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1,"InChI=1S/C19H34N/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19/h10-14H,4-9,15-18H2,1-3H3/q+1",QSRFYFHZPSGRQX-UHFFFAOYSA-N,C19H34N+,276.5,276.2691251,5.5,0,196,1,0,0,11,20,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DL-ALPHA-(METHYLAMINOMETHYL)BENZYL ALCOHOL,068579-60-2,913,2-(methylamino)-1-phenylethanol,CNCC(C1=CC=CC=C1)O,"InChI=1S/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3",ZCTYHONEGJTYQV-UHFFFAOYSA-N,C9H13NO,151.21,151.099714,-0.3,32.3,99,0,2,2,3,11,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMOPHENETHYL ALCOHOL,004654-39-1,72851,2-(4-bromophenyl)ethanol,C1=CC(=CC=C1CCO)Br,"InChI=1S/C8H9BrO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2",PMOSJSPFNDUAFY-UHFFFAOYSA-N,C8H9BrO,201.06,199.98368,1.5,20.2,87,0,1,1,2,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-AMINO-5-HYDROXYBENZOIC ACID HYDROCHLORIDE,014206-69-0,24229779,3-amino-5-hydroxybenzoic acid;hydrochloride,C1=C(C=C(C=C1N)O)C(=O)O.Cl,"InChI=1S/C7H7NO3.ClH/c8-5-1-4(7(10)11)2-6(9)3-5;/h1-3,9H,8H2,(H,10,11);1H",CXESTILCPSBCGQ-UHFFFAOYSA-N,C7H8ClNO3,189.59,189.0192708,,83.6,160,0,4,4,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(DIMETHYLAMINO)PHENYL ISOCYANATE,016315-59-6,2733372,"4-isocyanato-N,N-dimethylaniline",CN(C)C1=CC=C(C=C1)N=C=O,"InChI=1S/C9H10N2O/c1-11(2)9-5-3-8(4-6-9)10-7-12/h3-6H,1-2H3",YZEHDFBYSOKBED-UHFFFAOYSA-N,C9H10N2O,162.19,162.0793129,3.4,32.7,177,0,0,3,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-AMINO-3,5-DICHLOROBENZONITRILE",036764-94-0,737215,"2-amino-3,5-dichlorobenzonitrile",C1=C(C=C(C(=C1C#N)N)Cl)Cl,"InChI=1S/C7H4Cl2N2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2",ZHKNDJRPOVUPMT-UHFFFAOYSA-N,C7H4Cl2N2,187.02,185.9751535,2.8,49.8,186,0,1,2,0,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,3,5-BENZENETRITHIOL",038004-59-0,10154267,"benzene-1,3,5-trithiol",C1=C(C=C(C=C1S)S)S,"InChI=1S/C6H6S3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H",KXCKKUIJCYNZAE-UHFFFAOYSA-N,C6H6S3,174.3,173.9631637,2.4,3,63,0,3,3,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ETHYL 3-BROMOBENZOATE,024398-88-7,90488,ethyl 3-bromobenzoate,CCOC(=O)C1=CC(=CC=C1)Br,"InChI=1S/C9H9BrO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3",QAUASTLEZAPQTB-UHFFFAOYSA-N,C9H9BrO2,229.07,227.97859,3.2,26.3,159,0,0,2,3,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-BROMO-2-FLUOROPHENYLBORONIC ACID,112204-57-6,10856974,(5-bromo-2-fluorophenyl)boronic acid,B(C1=C(C=CC(=C1)Br)F)(O)O,"InChI=1S/C6H5BBrFO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H",IGBDPRKNAFOOGY-UHFFFAOYSA-N,C6H5BBrFO2,218.82,217.955,,40.5,136,0,2,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BROMO-4-ETHYNYLBENZENE,000766-96-1,136603,1-bromo-4-ethynylbenzene,C#CC1=CC=C(C=C1)Br,"InChI=1S/C8H5Br/c1-2-7-3-5-8(9)6-4-7/h1,3-6H",LTLVZQZDXQWLHU-UHFFFAOYSA-N,C8H5Br,181.03,179.95746,2.9,0,123,0,0,0,1,9,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
4-FLUOROPHENYLBORONIC ACID,001765-93-1,285645,(4-fluorophenyl)boronic acid,B(C1=CC=C(C=C1)F)(O)O,"InChI=1S/C6H6BFO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H",LBUNNMJLXWQQBY-UHFFFAOYSA-N,C6H6BFO2,139.92,140.0444878,,40.5,102,0,2,3,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-BIS(TERT-BUTYL)BENZOIC ACID",016225-26-6,85339,"3,5-ditert-butylbenzoic acid",CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C(C)(C)C,"InChI=1S/C15H22O2/c1-14(2,3)11-7-10(13(16)17)8-12(9-11)15(4,5)6/h7-9H,1-6H3,(H,16,17)",NCTSLPBQVXUAHR-UHFFFAOYSA-N,C15H22O2,234.33,234.1619799,4.8,37.3,258,0,1,2,3,17,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-BROMO-4-HYDROXYBENZONITRILE,002315-86-8,75341,3-bromo-4-hydroxybenzonitrile,C1=CC(=C(C=C1C#N)Br)O,"InChI=1S/C7H4BrNO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H",HLHNOIAOWQFNGW-UHFFFAOYSA-N,C7H4BrNO,198.02,196.94763,2.2,44,162,0,1,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-NITROISOPHTHALIC ACID,021161-11-5,88806,"2-nitrobenzene-1,3-dicarboxylic acid",C1=CC(=C(C(=C1)C(=O)O)[N+](=O)[O-])C(=O)O,"InChI=1S/C8H5NO6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13)",CAHWDGJDQYAFHM-UHFFFAOYSA-N,C8H5NO6,211.13,211.0116869,0.8,120,274,0,2,6,2,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
M-TOLYLHYDRAZINE HYDROCHLORIDE,000637-04-7,71562,(3-methylphenyl)hydrazine;hydrochloride,CC1=CC(=CC=C1)NN.Cl,"InChI=1S/C7H10N2.ClH/c1-6-3-2-4-7(5-6)9-8;/h2-5,9H,8H2,1H3;1H",SHTBTGXNVWYODU-UHFFFAOYSA-N,C7H11ClN2,158.63,158.0610761,,38.1,83,0,3,2,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-(METHYLTHIO)-ANISOLE,001879-16-9,15885,1-methoxy-4-methylsulfanylbenzene,COC1=CC=C(C=C1)SC,"InChI=1S/C8H10OS/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3",DQNSKXYRRRCKGH-UHFFFAOYSA-N,C8H10OS,154.23,154.0452361,2.7,34.5,87,0,0,2,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-DIMETHYL-O-PHENYLENEDIAMINE",041927-01-9,521077,"3,4-dimethylbenzene-1,2-diamine",CC1=C(C(=C(C=C1)N)N)C,"InChI=1S/C8H12N2/c1-5-3-4-7(9)8(10)6(5)2/h3-4H,9-10H2,1-2H3",MHQULXYNBKWNDF-UHFFFAOYSA-N,C8H12N2,136.19,136.1000484,1.3,52,114,0,2,2,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(4-CHLOROPHENYL)BORONIC ACID,001679-18-1,74299,(4-chlorophenyl)boronic acid,B(C1=CC=C(C=C1)Cl)(O)O,"InChI=1S/C6H6BClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H",CAYQIZIAYYNFCS-UHFFFAOYSA-N,C6H6BClO2,156.38,156.0149373,,40.5,102,0,2,2,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-PHENYLMALONDIALDEHYDE,026591-66-2,3672296,2-phenylpropanedial,C1=CC=C(C=C1)C(C=O)C=O,"InChI=1S/C9H8O2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-7,9H",PGTSKBVCLZBQFK-UHFFFAOYSA-N,C9H8O2,148.16,148.0524295,1.1,34.1,128,0,0,2,3,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4-TRICHLOROBENZENE-D3",002199-72-6,16213499,"1,2,4-trichloro-3,5,6-trideuteriobenzene",[2H]C1=C(C(=C(C(=C1Cl)[2H])Cl)Cl)[2H],"InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H/i1D,2D,3D",PBKONEOXTCPAFI-CBYSEHNBSA-N,C6H3Cl3,184.5,182.948863,4,0,94,0,0,0,0,9,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
2-FLUORO-5-FORMYLBENZONITRILE,218301-22-5,2769582,2-fluoro-5-formylbenzonitrile,C1=CC(=C(C=C1C=O)C#N)F,"InChI=1S/C8H4FNO/c9-8-2-1-6(5-11)3-7(8)4-10/h1-3,5H",MOFRJTLODZILCR-UHFFFAOYSA-N,C8H4FNO,149.12,149.0276919,1.2,40.9,196,0,0,3,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-DIHYDROXY-5-METHOXYBENZOIC ACID",003934-84-7,19829,"3,4-dihydroxy-5-methoxybenzoic acid",COC1=CC(=CC(=C1O)O)C(=O)O,"InChI=1S/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12)",KWCCUYSXAYTNKA-UHFFFAOYSA-N,C8H8O5,184.15,184.0371734,0.7,87,193,0,3,5,2,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-METHOXYCARBONYLPHENYLBORONIC ACID,099768-12-4,2734369,(4-methoxycarbonylphenyl)boronic acid,B(C1=CC=C(C=C1)C(=O)OC)(O)O,"InChI=1S/C8H9BO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5,11-12H,1H3",PQCXFUXRTRESBD-UHFFFAOYSA-N,C8H9BO4,179.97,180.0593889,,66.8,175,0,2,4,3,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-DIFLUOROBENZONITRILE",064248-62-0,587203,"3,4-difluorobenzonitrile",C1=CC(=C(C=C1C#N)F)F,InChI=1S/C7H3F2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,BTBFCBQZFMQBNT-UHFFFAOYSA-N,C7H3F2N,139.1,139.0233554,2,23.8,160,0,0,3,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-FLUORO-2-(TRIFLUOROMETHYL)BENZONITRILE,194853-86-6,605085,4-fluoro-2-(trifluoromethyl)benzonitrile,C1=CC(=C(C=C1F)C(F)(F)F)C#N,"InChI=1S/C8H3F4N/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H",LCCPQUYXMFXCAC-UHFFFAOYSA-N,C8H3F4N,189.11,189.0201618,2.6,23.8,226,0,0,5,0,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-FLUORO-3-METHOXYBENZOIC ACID,137654-20-7,3390679,2-fluoro-3-methoxybenzoic acid,COC1=CC=CC(=C1F)C(=O)O,"InChI=1S/C8H7FO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,1H3,(H,10,11)",AVGWCJLTQZQLCN-UHFFFAOYSA-N,C8H7FO3,170.14,170.0379222,1.8,46.5,172,0,1,4,2,12,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BROMO-2-HYDROXYBENZALDEHYDE,001829-34-1,10910555,3-bromo-2-hydroxybenzaldehyde,C1=CC(=C(C(=C1)Br)O)C=O,"InChI=1S/C7H5BrO2/c8-6-3-1-2-5(4-9)7(6)10/h1-4,10H",STBGLXMINLWCNL-UHFFFAOYSA-N,C7H5BrO2,201.02,199.94729,2.3,37.3,127,0,1,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEETHANAMINE, HYDRIODIDE (1:1)",151059-43-7,91972166,2-phenylethanamine;hydroiodide,C1=CC=C(C=C1)CCN.I,"InChI=1S/C8H11N.HI/c9-7-6-8-4-2-1-3-5-8;/h1-5H,6-7,9H2;1H",UPHCENSIMPJEIS-UHFFFAOYSA-N,C8H12IN,249.09,249.00145,,26,65,0,2,1,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BROMO-4-4FLUOROBENZONITRILE,079630-23-2,123579,3-bromo-4-fluorobenzonitrile,C1=CC(=C(C=C1C#N)Br)F,InChI=1S/C7H3BrFN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H,JKCYKISVUIVZCS-UHFFFAOYSA-N,C7H3BrFN,200.01,198.94329,2.4,23.8,162,0,0,2,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-HEXYLANILINE,033228-45-4,36382,4-hexylaniline,CCCCCCC1=CC=C(C=C1)N,"InChI=1S/C12H19N/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10H,2-6,13H2,1H3",OVEMTTZEBOCJDV-UHFFFAOYSA-N,C12H19N,177.29,177.1517496,3.9,26,114,0,1,1,5,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-ISOPROPENYLPHENOL,004286-23-1,584247,4-prop-1-en-2-ylphenol,CC(=C)C1=CC=C(C=C1)O,"InChI=1S/C9H10O/c1-7(2)8-3-5-9(10)6-4-8/h3-6,10H,1H2,2H3",JAGRUUPXPPLSRX-UHFFFAOYSA-N,C9H10O,134.17,134.0731649,3,20.2,121,0,1,1,1,10,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-CYANOBENZALDEHYDE,007468-67-9,101209,2-formylbenzonitrile,C1=CC=C(C(=C1)C=O)C#N,"InChI=1S/C8H5NO/c9-5-7-3-1-2-4-8(7)6-10/h1-4,6H",QVTPWONEVZJCCS-UHFFFAOYSA-N,C8H5NO,131.13,131.0371138,1.1,40.9,167,0,0,2,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-(HYDROXYMETHYL)-1,4-BENZENEDIOL",000495-08-9,188287,"2-(hydroxymethyl)benzene-1,4-diol",C1=CC(=C(C=C1O)CO)O,"InChI=1S/C7H8O3/c8-4-5-3-6(9)1-2-7(5)10/h1-3,8-10H,4H2",PUZSUVGRVHEUQO-UHFFFAOYSA-N,C7H8O3,140.14,140.0473441,0.7,60.7,105,0,3,3,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-AZIDO-L-PHENYLALANINE,033173-53-4,3080772,(2S)-2-amino-3-(4-azidophenyl)propanoic acid,C1=CC(=CC=C1C[C@@H](C(=O)O)N)N=[N+]=[N-],"InChI=1S/C9H10N4O2/c10-8(9(14)15)5-6-1-3-7(4-2-6)12-13-11/h1-4,8H,5,10H2,(H,14,15)/t8-/m0/s1",NEMHIKRLROONTL-QMMMGPOBSA-N,C9H10N4O2,206.2,206.0803756,-0.2,77.7,267,0,2,5,4,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,2-DICHLORO-4-FLUOROBENZENE",001435-49-0,74028,"1,2-dichloro-4-fluorobenzene",C1=CC(=C(C=C1F)Cl)Cl,InChI=1S/C6H3Cl2F/c7-5-2-1-4(9)3-6(5)8/h1-3H,QSDKXMVGRLVIQV-UHFFFAOYSA-N,C6H3Cl2F,164.99,163.9595836,3.5,0,97,0,0,1,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-CARBOXY-2-FLUOROPHENYLBORONIC ACID,851335-07-4,23134177,4-borono-3-fluorobenzoic acid,B(C1=C(C=C(C=C1)C(=O)O)F)(O)O,"InChI=1S/C7H6BFO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,12-13H,(H,10,11)",TVNVDRMGOOLVOX-UHFFFAOYSA-N,C7H6BFO4,183.93,184.034317,,77.8,199,0,3,5,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-(ACETYLAMINO)-2-METHYL-BENZOIC ACID,103204-70-2,8167139,5-acetamido-2-methylbenzoic acid,CC1=C(C=C(C=C1)NC(=O)C)C(=O)O,"InChI=1S/C10H11NO3/c1-6-3-4-8(11-7(2)12)5-9(6)10(13)14/h3-5H,1-2H3,(H,11,12)(H,13,14)",JWEWTGQYHKEENE-UHFFFAOYSA-N,C10H11NO3,193.2,193.0738932,1.6,66.4,240,0,2,3,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXYETHYL TEREPHTHALATE,001137-99-1,174073,4-(2-hydroxyethoxycarbonyl)benzoic acid,C1=CC(=CC=C1C(=O)O)C(=O)OCCO,"InChI=1S/C10H10O5/c11-5-6-15-10(14)8-3-1-7(2-4-8)9(12)13/h1-4,11H,5-6H2,(H,12,13)",BCBHDSLDGBIFIX-UHFFFAOYSA-N,C10H10O5,210.18,210.0528234,0.6,83.8,230,0,2,5,5,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(TRIFLUOROMETHYL)PHENYLACETONITRILE,003038-47-9,76435,2-[2-(trifluoromethyl)phenyl]acetonitrile,C1=CC=C(C(=C1)CC#N)C(F)(F)F,"InChI=1S/C9H6F3N/c10-9(11,12)8-4-2-1-3-7(8)5-6-13/h1-4H,5H2",QXDCZSJGEUSERL-UHFFFAOYSA-N,C9H6F3N,185.15,185.0452337,2.5,23.8,213,0,0,4,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIMETHYL-2-PHENYLACETAMIDE",018925-69-4,87853,"N,N-dimethyl-2-phenylacetamide",CN(C)C(=O)CC1=CC=CC=C1,"InChI=1S/C10H13NO/c1-11(2)10(12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3",FHVMATOIMUHQRC-UHFFFAOYSA-N,C10H13NO,163.22,163.099714,1.3,20.3,148,0,0,1,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
AMINOMALONONITRILE P-TOLUENESULFONATE,005098-14-6,563049,2-aminopropanedinitrile;4-methylbenzenesulfonic acid,CC1=CC=C(C=C1)S(=O)(=O)O.C(#N)C(C#N)N,"InChI=1S/C7H8O3S.C3H3N3/c1-6-2-4-7(5-3-6)11(8,9)10;4-1-3(6)2-5/h2-5H,1H3,(H,8,9,10);3H,6H2",MEUWQVWJLLBVQI-UHFFFAOYSA-N,C10H11N3O3S,253.28,253.0521124,,136,310,0,2,6,1,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
3-(HYDROXYMETHYL)PYROCATECHOL,014235-77-9,84277,"3-(hydroxymethyl)benzene-1,2-diol",C1=CC(=C(C(=C1)O)O)CO,"InChI=1S/C7H8O3/c8-4-5-2-1-3-6(9)7(5)10/h1-3,8-10H,4H2",UBFALTGHGHULNL-UHFFFAOYSA-N,C7H8O3,140.14,140.0473441,0.9,60.7,105,0,3,3,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BROMO-4-FLUORONITROBENZENE,000701-45-1,69699,2-bromo-1-fluoro-4-nitrobenzene,C1=CC(=C(C=C1[N+](=O)[O-])Br)F,InChI=1S/C6H3BrFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,FAWMTDSAMOCUAR-UHFFFAOYSA-N,C6H3BrFNO2,220,218.93312,2.5,45.8,161,0,0,3,0,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,6-DIBROMOBENZALDEHYDE",067713-23-9,12648641,"2,6-dibromobenzaldehyde",C1=CC(=C(C(=C1)Br)C=O)Br,InChI=1S/C7H4Br2O/c8-6-2-1-3-7(9)5(6)4-10/h1-4H,YDYNSAUGVGAOLO-UHFFFAOYSA-N,C7H4Br2O,263.91,263.86084,2.8,17.1,117,0,0,1,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMORESORCINOL,006751-75-3,604810,"2-bromobenzene-1,3-diol",C1=CC(=C(C(=C1)O)Br)O,"InChI=1S/C6H5BrO2/c7-6-4(8)2-1-3-5(6)9/h1-3,8-9H",UOLPZAPIFFZLMF-UHFFFAOYSA-N,C6H5BrO2,189.01,187.94729,1.9,40.5,87,0,2,2,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-BROMO-2,3,5,6-TETRAFLUOROBENZONITRILE",017823-40-4,620140,"4-bromo-2,3,5,6-tetrafluorobenzonitrile",C(#N)C1=C(C(=C(C(=C1F)F)Br)F)F,InChI=1S/C7BrF4N/c8-3-6(11)4(9)2(1-13)5(10)7(3)12,STJZOKCIEOTPDV-UHFFFAOYSA-N,C7BrF4N,253.98,252.91502,2.7,23.8,224,0,0,5,0,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-COUMAROYL-L-ASPARTIC ACID,151435-24-4,68537088,(2S)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]butanedioic acid,C1=CC(=CC=C1/C=C/C(=O)N[C@@H](CC(=O)O)C(=O)O)O,"InChI=1S/C13H13NO6/c15-9-4-1-8(2-5-9)3-6-11(16)14-10(13(19)20)7-12(17)18/h1-6,10,15H,7H2,(H,14,16)(H,17,18)(H,19,20)/b6-3+/t10-/m0/s1",FKBRNPNAUOXZMQ-YVGDHZEHSA-N,C13H13NO6,279.24,279.0742871,0.4,124,398,0,4,6,6,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-(METHYLSULFONYL)BENZOIC ACID,004052-30-6,77670,4-methylsulfonylbenzoic acid,CS(=O)(=O)C1=CC=C(C=C1)C(=O)O,"InChI=1S/C8H8O4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)",AJBWNNKDUMXZLM-UHFFFAOYSA-N,C8H8O4S,200.21,200.0143299,0.7,79.8,280,0,1,4,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CHLORO-4-FLUORO-5-NITROTOLUENE,112108-73-3,10103979,1-chloro-5-fluoro-2-methyl-4-nitrobenzene,CC1=CC(=C(C=C1Cl)F)[N+](=O)[O-],"InChI=1S/C7H5ClFNO2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,1H3",YXVJHZWHPLOEAP-UHFFFAOYSA-N,C7H5ClFNO2,189.57,188.9992843,2.8,45.8,185,0,0,3,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMO-1-FLUORO-2-NITROBENZENE,000364-73-8,2736328,4-bromo-1-fluoro-2-nitrobenzene,C1=CC(=C(C=C1Br)[N+](=O)[O-])F,InChI=1S/C6H3BrFNO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,UQEANKGXXSENNF-UHFFFAOYSA-N,C6H3BrFNO2,220,218.93312,2.5,45.8,161,0,0,3,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TEREPHTHALOHYDRAZIDE,000136-64-1,67294,"benzene-1,4-dicarbohydrazide",C1=CC(=CC=C1C(=O)NN)C(=O)NN,"InChI=1S/C8H10N4O2/c9-11-7(13)5-1-2-6(4-3-5)8(14)12-10/h1-4H,9-10H2,(H,11,13)(H,12,14)",ALHNLFMSAXZKRC-UHFFFAOYSA-N,C8H10N4O2,194.19,194.0803756,-0.9,110,199,0,4,4,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DINITROBENZAMIDE",000121-81-3,4511,"3,5-dinitrobenzamide",C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)N,"InChI=1S/C7H5N3O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H,(H2,8,11)",UUKWKUSGGZNXGA-UHFFFAOYSA-N,C7H5N3O5,211.13,211.0229203,0.8,135,272,0,1,5,1,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,5-DIMETHYLBENZENE-1,4-DIAMINE",006393-01-7,160824,"2,5-dimethylbenzene-1,4-diamine",CC1=CC(=C(C=C1N)C)N,"InChI=1S/C8H12N2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,9-10H2,1-2H3",BWAPJIHJXDYDPW-UHFFFAOYSA-N,C8H12N2,136.19,136.1000484,1.3,52,99,0,2,2,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ALPHA-ETHYNYLBENZENEMETHANOL,004187-87-5,20155,1-phenylprop-2-yn-1-ol,C#CC(C1=CC=CC=C1)O,"InChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7,9-10H",UIGLAZDLBZDVBL-UHFFFAOYSA-N,C9H8O,132.16,132.0575149,1.3,20.2,136,0,1,1,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BENZENEDIBORONIC ACID",004612-28-6,230477,(3-boronophenyl)boronic acid,B(C1=CC(=CC=C1)B(O)O)(O)O,"InChI=1S/C6H8B2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-12H",UXPAASVRXBULRG-UHFFFAOYSA-N,C6H8B2O4,165.75,166.0608691,,80.9,128,0,4,4,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-(1,1-DIMETHYLETHYL)BENZENETHIOL",002396-68-1,75454,4-tert-butylbenzenethiol,CC(C)(C)C1=CC=C(C=C1)S,"InChI=1S/C10H14S/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3",GNXBFFHXJDZGEK-UHFFFAOYSA-N,C10H14S,166.29,166.0816216,3.8,1,115,0,1,1,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-ALLYL-4-METHYLBENZENESULFONAMIDE,050487-71-3,297877,4-methyl-N-prop-2-enylbenzenesulfonamide,CC1=CC=C(C=C1)S(=O)(=O)NCC=C,"InChI=1S/C10H13NO2S/c1-3-8-11-14(12,13)10-6-4-9(2)5-7-10/h3-7,11H,1,8H2,2H3",SQMCYQSCMCMEIL-UHFFFAOYSA-N,C10H13NO2S,211.28,211.0666998,1.9,54.6,271,0,1,3,4,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-AMINO-2-NITROBENZOIC ACID,000610-36-6,235713,4-amino-2-nitrobenzoic acid,C1=CC(=C(C=C1N)[N+](=O)[O-])C(=O)O,"InChI=1S/C7H6N2O4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,8H2,(H,10,11)",SAJYSJVBNGUWJK-UHFFFAOYSA-N,C7H6N2O4,182.13,182.0327567,0.8,109,225,0,2,5,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMO-5-NITROANILINE,010403-47-1,82607,2-bromo-5-nitroaniline,C1=CC(=C(C=C1[N+](=O)[O-])N)Br,"InChI=1S/C6H5BrN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2",BAAUCXCLMDAZEL-UHFFFAOYSA-N,C6H5BrN2O2,217.02,215.95344,2.3,71.8,159,0,1,3,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BROMO-4-CHLORONITROBENZENE,016588-26-4,2735549,2-bromo-1-chloro-4-nitrobenzene,C1=CC(=C(C=C1[N+](=O)[O-])Br)Cl,InChI=1S/C6H3BrClNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,CGTVUAQWGSZCFH-UHFFFAOYSA-N,C6H3BrClNO2,236.45,234.90357,3.2,45.8,161,0,0,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TERT-BUTYL (3-FORMYLPHENYL)CARBAMATE,176980-36-2,16740736,tert-butyl N-(3-formylphenyl)carbamate,CC(C)(C)OC(=O)NC1=CC=CC(=C1)C=O,"InChI=1S/C12H15NO3/c1-12(2,3)16-11(15)13-10-6-4-5-9(7-10)8-14/h4-8H,1-3H3,(H,13,15)",JEUBPGIHGQWLAJ-UHFFFAOYSA-N,C12H15NO3,221.25,221.1051933,1.9,55.4,257,0,1,3,4,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-FLUORO-3-HYDROXYBENZALDEHYDE,103438-86-4,587789,2-fluoro-3-hydroxybenzaldehyde,C1=CC(=C(C(=C1)O)F)C=O,"InChI=1S/C7H5FO2/c8-7-5(4-9)2-1-3-6(7)10/h1-4,10H",JHPNLGYUKQTWHN-UHFFFAOYSA-N,C7H5FO2,140.11,140.0273576,1.1,37.3,127,0,1,3,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL 5-AMINO-2-FLUOROBENZOATE,056741-34-5,15621043,methyl 5-amino-2-fluorobenzoate,COC(=O)C1=C(C=CC(=C1)N)F,"InChI=1S/C8H8FNO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,10H2,1H3",ILVPFTMKCHREDJ-UHFFFAOYSA-N,C8H8FNO2,169.15,169.0539067,2.2,52.3,174,0,1,4,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(L)-4-CYANOPHENYLALANINE,167479-78-9,1501865,(2S)-2-amino-3-(4-cyanophenyl)propanoic acid,C1=CC(=CC=C1C[C@@H](C(=O)O)N)C#N,"InChI=1S/C10H10N2O2/c11-6-8-3-1-7(2-4-8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1",KWIPUXXIFQQMKN-VIFPVBQESA-N,C10H10N2O2,190.2,190.0742276,-1.4,87.1,248,0,2,4,3,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
N-(HYDROXYMETHYL)BENZAMIDE,006282-02-6,80493,N-(hydroxymethyl)benzamide,C1=CC=C(C=C1)C(=O)NCO,"InChI=1S/C8H9NO2/c10-6-9-8(11)7-4-2-1-3-5-7/h1-5,10H,6H2,(H,9,11)",UOUBPDZUBVJZOQ-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,0.4,49.3,130,0,2,2,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3,5,6-TETRAFLUOROANILINE",000700-17-4,12786,"2,3,5,6-tetrafluoroaniline",C1=C(C(=C(C(=C1F)F)N)F)F,"InChI=1S/C6H3F4N/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,11H2",SPSWJTZNOXMMMV-UHFFFAOYSA-N,C6H3F4N,165.09,165.0201618,1.7,26,129,0,1,5,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEMETHANOL, .ALPHA.-[1-(METHYLAMINO)ETHYL]-, HYDROCHLORIDE, [R-(R*,S*)]-",000050-98-6,65326,"(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride",C[C@@H]([C@@H](C1=CC=CC=C1)O)NC.Cl,"InChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H/t8-,10-;/m0./s1",BALXUFOVQVENIU-GNAZCLTHSA-N,C10H16ClNO,201.69,201.0920418,,32.3,121,0,3,2,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"MESCALINE (CONSTITUENT OF ""PEYOTE""CACTI)",000054-04-6,4076,"2-(3,4,5-trimethoxyphenyl)ethanamine",COC1=CC(=CC(=C1OC)OC)CCN,"InChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3",RHCSKNNOAZULRK-UHFFFAOYSA-N,C11H17NO3,211.26,211.1208434,0.7,53.7,163,0,1,4,5,15,,180 °C at 12 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"IMIDODICARBONIMIDIC DIAMIDE, N-PHENYL-, MONOHYDROCHLORIDE",000055-57-2,5932,1-(diaminomethylidene)-2-phenylguanidine;hydrochloride,C1=CC=C(C=C1)N=C(N)N=C(N)N.Cl,"InChI=1S/C8H11N5.ClH/c9-7(10)13-8(11)12-6-4-2-1-3-5-6;/h1-5H,(H6,9,10,11,12,13);1H",FHUDRDSKZQDCBC-UHFFFAOYSA-N,C8H12ClN5,213.67,213.0781231,,103,211,0,4,1,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzyl alcohol, m-hydroxy-alpha-((methylamino)methyl)-, (-)-",000059-42-7,6041,3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol,CNC[C@@H](C1=CC(=CC=C1)O)O,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1",SONNWYBIRXJNDC-VIFPVBQESA-N,C9H13NO2,167.2,167.0946287,-0.3,52.5,130,0,3,3,3,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PHENACEMIDE,000063-98-9,4753,N-carbamoyl-2-phenylacetamide,C1=CC=C(C=C1)CC(=O)NC(=O)N,"InChI=1S/C9H10N2O2/c10-9(13)11-8(12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13)",XPFRXWCVYUEORT-UHFFFAOYSA-N,C9H10N2O2,178.19,178.0742276,0.9,72.2,198,0,2,2,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONAMIDE, 3-AMINO-N-BUTYL-4-METHOXY-",000080-22-8,66455,3-amino-N-butyl-4-methoxybenzenesulfonamide,CCCCNS(=O)(=O)C1=CC(=C(C=C1)OC)N,"InChI=1S/C11H18N2O3S/c1-3-4-7-13-17(14,15)9-5-6-11(16-2)10(12)8-9/h5-6,8,13H,3-4,7,12H2,1-2H3",XOIMPHNXVTYJAB-UHFFFAOYSA-N,C11H18N2O3S,258.34,258.1038136,2,89.8,313,0,2,5,6,17,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONAMIDE, 3-AMINO-4-HYDROXY-N-METHYL-",000080-23-9,66456,3-amino-4-hydroxy-N-methylbenzenesulfonamide,CNS(=O)(=O)C1=CC(=C(C=C1)O)N,"InChI=1S/C7H10N2O3S/c1-9-13(11,12)5-2-3-7(10)6(8)4-5/h2-4,9-10H,8H2,1H3",NFNLMGYLSDEJKS-UHFFFAOYSA-N,C7H10N2O3S,202.23,202.0412134,0.1,101,259,0,3,5,2,13,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-CHLORO-2-METHYL-3-NITRO-",000083-42-1,6740,1-chloro-2-methyl-3-nitrobenzene,CC1=C(C=CC=C1Cl)[N+](=O)[O-],"InChI=1S/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3",XCSNRORTQRKCHB-UHFFFAOYSA-N,C7H6ClNO2,171.58,171.0087061,3.1,45.8,157,0,0,2,0,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"BENZENE, 1-(1,1-DIMETHYLETHYL)-2-METHOXY-4-METHYL-3,5-DINITRO-",000083-66-9,6753,"1-tert-butyl-2-methoxy-4-methyl-3,5-dinitrobenzene",CC1=C(C=C(C(=C1[N+](=O)[O-])OC)C(C)(C)C)[N+](=O)[O-],"InChI=1S/C12H16N2O5/c1-7-9(13(15)16)6-8(12(2,3)4)11(19-5)10(7)14(17)18/h6H,1-5H3",SUAUILGSCPYJCS-UHFFFAOYSA-N,C12H16N2O5,268.27,268.1059216,3.6,101,355,0,0,5,2,19,,"275 °F at 16 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEACETIC ACID, 2,3,6-TRICHLORO-",000085-34-7,6805,"2-(2,3,6-trichlorophenyl)acetic acid",C1=CC(=C(C(=C1Cl)CC(=O)O)Cl)Cl,"InChI=1S/C8H5Cl3O2/c9-5-1-2-6(10)8(11)4(5)3-7(12)13/h1-2H,3H2,(H,12,13)",QZXCCPZJCKEPSA-UHFFFAOYSA-N,C8H5Cl3O2,239.5,237.935512,3.2,37.3,198,0,1,2,2,13,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 2-HYDROXY-, 2-METHYLPROPYL ESTER",000087-19-4,6873,2-methylpropyl 2-hydroxybenzoate,CC(C)COC(=O)C1=CC=CC=C1O,"InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8,12H,7H2,1-2H3",PTXDBYSCVQQBNF-UHFFFAOYSA-N,C11H14O3,194.23,194.0942943,3.9,46.5,189,0,1,3,4,14,,261.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 2-HYDROXY-, 3-METHYLBUTYL ESTER",000087-20-7,6874,3-methylbutyl 2-hydroxybenzoate,CC(C)CCOC(=O)C1=CC=CC=C1O,"InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3",PMGCQNGBLMMXEW-UHFFFAOYSA-N,C12H16O3,208.25,208.1099444,4.6,46.5,201,0,1,3,5,15,,277.00 to 278.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 4-[(DIMETHYLAMINO)METHYL]-2,6-BIS(1,1-DIMETHYLETHYL)-",000088-27-7,66609,"2,6-ditert-butyl-4-[(dimethylamino)methyl]phenol",CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN(C)C,"InChI=1S/C17H29NO/c1-16(2,3)13-9-12(11-18(7)8)10-14(15(13)19)17(4,5)6/h9-10,19H,11H2,1-8H3",VMZVBRIIHDRYGK-UHFFFAOYSA-N,C17H29NO,263.4,263.2249145,4.7,23.5,261,0,1,2,4,19,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"PHENOL, 3-(1,1-DIMETHYLETHYL)-4-METHOXY-",000088-32-4,6932,3-tert-butyl-4-methoxyphenol,CC(C)(C)C1=C(C=CC(=C1)O)OC,"InChI=1S/C11H16O2/c1-11(2,3)9-7-8(12)5-6-10(9)13-4/h5-7,12H,1-4H3",IMOYOUMVYICGCA-UHFFFAOYSA-N,C11H16O2,180.24,180.1150297,3.2,29.5,160,0,1,2,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1-(1,1-DIMETHYLETHYL)-2-METHOXY-4-METHYL-",000088-40-4,66615,1-tert-butyl-2-methoxy-4-methylbenzene,CC1=CC(=C(C=C1)C(C)(C)C)OC,"InChI=1S/C12H18O/c1-9-6-7-10(12(2,3)4)11(8-9)13-5/h6-8H,1-5H3",NFDFEFJTYRAHEM-UHFFFAOYSA-N,C12H18O,178.27,178.1357652,3.5,9.2,157,0,0,1,2,13,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 4-AMINO-2,5-DICHLORO-",000088-50-6,66619,"4-amino-2,5-dichlorobenzenesulfonic acid",C1=C(C(=CC(=C1Cl)S(=O)(=O)O)Cl)N,"InChI=1S/C6H5Cl2NO3S/c7-3-2-6(13(10,11)12)4(8)1-5(3)9/h1-2H,9H2,(H,10,11,12)",SJCTXIKOXTUQHC-UHFFFAOYSA-N,C6H5Cl2NO3S,242.08,240.9367196,1.2,88.8,276,0,2,4,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-BROMO-",000088-65-3,6940,2-bromobenzoic acid,C1=CC=C(C(=C1)C(=O)O)Br,"InChI=1S/C7H5BrO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)",XRXMNWGCKISMOH-UHFFFAOYSA-N,C7H5BrO2,201.02,199.94729,2.2,37.3,136,0,1,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2,3,5-TRIIODO-",000088-82-4,6948,"2,3,5-triiodobenzoic acid",C1=C(C=C(C(=C1C(=O)O)I)I)I,"InChI=1S/C7H3I3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)",ZMZGFLUUZLELNE-UHFFFAOYSA-N,C7H3I3O2,499.81,499.7267,3.4,37.3,185,0,1,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1,4-DIMETHOXY-2-NITRO-",000089-39-4,66639,"1,4-dimethoxy-2-nitrobenzene",COC1=CC(=C(C=C1)OC)[N+](=O)[O-],"InChI=1S/C8H9NO4/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5H,1-2H3",UPTOWXNJLZJTGD-UHFFFAOYSA-N,C8H9NO4,183.16,183.0531578,1.8,64.3,179,0,0,4,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
2-(ACETYLAMINO)BENZOIC ACID,000089-52-1,6971,2-acetamidobenzoic acid,CC(=O)NC1=CC=CC=C1C(=O)O,"InChI=1S/C9H9NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)",QSACCXVHEVWNMX-UHFFFAOYSA-N,C9H9NO3,179.17,179.0582431,1.9,66.4,215,0,2,3,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1-CHLORO-4-METHYL-2-NITRO-",000089-60-1,6976,1-chloro-4-methyl-2-nitrobenzene,CC1=CC(=C(C=C1)Cl)[N+](=O)[O-],"InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3",NWESJZZPAJGHRZ-UHFFFAOYSA-N,C7H6ClNO2,171.58,171.0087061,2.8,45.8,157,0,0,2,0,11,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"BENZALDEHYDE, 3,5-DICHLORO-2-HYDROXY-",000090-60-8,66660,"3,5-dichloro-2-hydroxybenzaldehyde",C1=C(C=C(C(=C1C=O)O)Cl)Cl,"InChI=1S/C7H4Cl2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H",FABVMBDCVAJXMB-UHFFFAOYSA-N,C7H4Cl2O2,191.01,189.9588348,2.8,37.3,151,0,1,2,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"BENZENE, (2,2-DIMETHOXY-1-METHYLETHYL)-",000090-87-9,62336,"1,1-dimethoxypropan-2-ylbenzene",CC(C1=CC=CC=C1)C(OC)OC,"InChI=1S/C11H16O2/c1-9(11(12-2)13-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3",UFOUDYPOSJJEDJ-UHFFFAOYSA-N,C11H16O2,180.24,180.1150297,2.4,18.5,126,0,0,2,4,13,,111.00 to 112.00 °C. @ 12.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, N,N-DIETHYL-3-METHOXY-",000092-18-2,66697,"N,N-diethyl-3-methoxyaniline",CCN(CC)C1=CC(=CC=C1)OC,"InChI=1S/C11H17NO/c1-4-12(5-2)10-7-6-8-11(9-10)13-3/h6-9H,4-5H2,1-3H3",KGFAREHEJGDILZ-UHFFFAOYSA-N,C11H17NO,179.26,179.1310142,2.7,12.5,134,0,0,2,4,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETAMIDE, N-(2-METHOXYPHENYL)-",000093-26-5,7135,N-(2-methoxyphenyl)acetamide,CC(=O)NC1=CC=CC=C1OC,"InChI=1S/C9H11NO2/c1-7(11)10-8-5-3-4-6-9(8)12-2/h3-6H,1-2H3,(H,10,11)",FGOFNVXHDGQVBG-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,1.1,38.3,159,0,1,2,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 4-CHLORO-2-METHOXY-",000093-50-5,7143,4-chloro-2-methoxyaniline,COC1=C(C=CC(=C1)Cl)N,"InChI=1S/C7H8ClNO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3",WOXLPNAOCCIZGP-UHFFFAOYSA-N,C7H8ClNO,157.6,157.0294416,1.9,35.3,110,0,1,2,1,10,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"BUTANAMIDE, N-(2-CHLOROPHENYL)-3-OXO-",000093-70-9,7156,N-(2-chlorophenyl)-3-oxobutanamide,CC(=O)CC(=O)NC1=CC=CC=C1Cl,"InChI=1S/C10H10ClNO2/c1-7(13)6-10(14)12-9-5-3-2-4-8(9)11/h2-5H,6H2,1H3,(H,12,14)",BFVHBHKMLIBQNN-UHFFFAOYSA-N,C10H10ClNO2,211.64,211.0400063,1.7,46.2,230,0,1,2,3,14,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butyric acid, 4-(2,4,5-trichlorophenoxy)-",000093-80-1,7162,"4-(2,4,5-trichlorophenoxy)butanoic acid",C1=C(C(=CC(=C1Cl)Cl)Cl)OCCCC(=O)O,"InChI=1S/C10H9Cl3O3/c11-6-4-8(13)9(5-7(6)12)16-3-1-2-10(14)15/h4-5H,1-3H2,(H,14,15)",RTWCZQFXFMXXKP-UHFFFAOYSA-N,C10H9Cl3O3,283.5,281.961727,4.2,46.5,237,0,1,3,5,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"(2,4-DICHLOROPHENOXY)ACETIC ACID, BUTYL ESTER",000094-80-4,7206,"butyl 2-(2,4-dichlorophenoxy)acetate",CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl,"InChI=1S/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3",UQMRAFJOBWOFNS-UHFFFAOYSA-N,C12H14Cl2O3,277.14,276.0319997,4.4,35.5,236,0,0,3,7,17,"Greater than 175 °F (open cup) /2,4-D esters/","295 to 297 °F at 1 mmHg (NTP, 1992)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENESULFONAMIDE, 4-CHLORO-N-(1-METHYLETHYL)-3-NITRO-",000096-59-3,66780,4-chloro-3-nitro-N-propan-2-ylbenzenesulfonamide,CC(C)NS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-],"InChI=1S/C9H11ClN2O4S/c1-6(2)11-17(15,16)7-3-4-8(10)9(5-7)12(13)14/h3-6,11H,1-2H3",KFKCKBPFUJOIQG-UHFFFAOYSA-N,C9H11ClN2O4S,278.71,278.0128057,2,100,373,0,1,5,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrocinnamic acid, 3-amino-alpha-ethyl-2,4,6-triiodo-",000096-83-3,3735,"2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid",CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)O,"InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)",OIRFJRBSRORBCM-UHFFFAOYSA-N,C11H12I3NO2,570.93,570.8002,3.9,63.3,277,0,2,3,4,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1-CHLORO-4-(METHYLSULFONYL)-2-NITRO-",000097-07-4,66796,1-chloro-4-methylsulfonyl-2-nitrobenzene,CS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-],"InChI=1S/C7H6ClNO4S/c1-14(12,13)5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3",JAANTSGNTKWLFA-UHFFFAOYSA-N,C7H6ClNO4S,235.65,234.9706065,1.5,88.3,318,0,0,4,1,14,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONAMIDE, 3-AMINO-N,N-DIETHYL-4-METHOXY-",000097-35-8,66804,"3-amino-N,N-diethyl-4-methoxybenzenesulfonamide",CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)N,"InChI=1S/C11H18N2O3S/c1-4-13(5-2)17(14,15)9-6-7-11(16-3)10(12)8-9/h6-8H,4-5,12H2,1-3H3",WBGVVXSCGNGJFL-UHFFFAOYSA-N,C11H18N2O3S,258.34,258.1038136,1.7,81,322,0,1,5,5,17,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"N-(2,4-DIMETHYLPHENYL)-3-OXOBUTANAMIDE",000097-36-9,222464,"N-(2,4-dimethylphenyl)-3-oxobutanamide",CC1=CC(=C(C=C1)NC(=O)CC(=O)C)C,"InChI=1S/C12H15NO2/c1-8-4-5-11(9(2)6-8)13-12(15)7-10(3)14/h4-6H,7H2,1-3H3,(H,13,15)",HGVIAKXYAZRSEG-UHFFFAOYSA-N,C12H15NO2,205.25,205.1102787,1.9,46.2,250,0,1,2,3,15,171 °C,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, 2-METHOXY-4-NITRO-",000097-52-9,7337,2-methoxy-4-nitroaniline,COC1=C(C=CC(=C1)[N+](=O)[O-])N,"InChI=1S/C7H8N2O3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,8H2,1H3",GVBHRNIWBGTNQA-UHFFFAOYSA-N,C7H8N2O3,168.15,168.0534921,1.5,81.1,169,0,1,4,1,12,,,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(3-CHLOROPHENYL)-",000099-02-5,14933,1-(3-chlorophenyl)ethanone,CC(=O)C1=CC(=CC=C1)Cl,"InChI=1S/C8H7ClO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3",UUWJBXKHMMQDED-UHFFFAOYSA-N,C8H7ClO,154.59,154.0185425,2.5,17.1,133,0,0,1,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIBROMO-4-NITROPHENOL.",000099-28-5,7429,"2,6-dibromo-4-nitrophenol",C1=C(C=C(C(=C1Br)O)Br)[N+](=O)[O-],"InChI=1S/C6H3Br2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H",WBHYZUAQCSHXCT-UHFFFAOYSA-N,C6H3Br2NO3,296.9,296.84592,3.6,66.1,172,0,1,3,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 3-METHYL-, METHYL ESTER",000099-36-5,7435,methyl 3-methylbenzoate,CC1=CC(=CC=C1)C(=O)OC,"InChI=1S/C9H10O2/c1-7-4-3-5-8(6-7)9(10)11-2/h3-6H,1-2H3",CPXCDEMFNPKOEF-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,2.8,26.3,142,0,0,2,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-NITRO-, ETHYL ESTER",000099-77-4,7457,ethyl 4-nitrobenzoate,CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C9H9NO4/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3",PHWSCBWNPZDYRI-UHFFFAOYSA-N,C9H9NO4,195.17,195.0531578,2.3,72.1,215,0,0,4,3,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEETHANOL, .ALPHA.,.ALPHA.-DIMETHYL-",000100-86-7,7531,2-methyl-1-phenylpropan-2-ol,CC(C)(CC1=CC=CC=C1)O,"InChI=1S/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3",RIWRBSMFKVOJMN-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,2.2,20.2,112,0,1,1,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 2-(3-CHLOROPHENOXY)-",000101-10-0,7542,2-(3-chlorophenoxy)propanoic acid,CC(C(=O)O)OC1=CC(=CC=C1)Cl,"InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-4-2-3-7(10)5-8/h2-6H,1H3,(H,11,12)",YNTJKQDWYXUTLZ-UHFFFAOYSA-N,C9H9ClO3,200.62,200.0240218,2.3,46.5,184,0,1,3,3,13,,100 °C at 1.5 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BARBAN,000101-27-9,7551,4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate,C1=CC(=CC(=C1)Cl)NC(=O)OCC#CCCl,"InChI=1S/C11H9Cl2NO2/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,(H,14,15)",MCOQHIWZJUDQIC-UHFFFAOYSA-N,C11H9Cl2NO2,258.1,257.0010339,3.2,38.3,295,0,1,2,3,16,122 °F (Closed cup),Degrades before boiling,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"ACETAMIDE, N-(3-AMINOPHENYL)-",000102-28-3,7604,N-(3-aminophenyl)acetamide,CC(=O)NC1=CC=CC(=C1)N,"InChI=1S/C8H10N2O/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,9H2,1H3,(H,10,11)",PEMGGJDINLGTON-UHFFFAOYSA-N,C8H10N2O,150.18,150.0793129,0.9,55.1,147,0,2,2,1,11,,"Decomposes at 1449 °F (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HYDRAZINECARBOXAMIDE, 2-PHENYL-",000103-03-7,61002,anilinourea,C1=CC=C(C=C1)NNC(=O)N,"InChI=1S/C7H9N3O/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5,9H,(H3,8,10,11)",AVKHCKXGKPAGEI-UHFFFAOYSA-N,C7H9N3O,151.17,151.0745619,0.1,67.2,132,0,3,2,2,11,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANOIC ACID, 3-PHENYL-2-PROPENYL ESTER",000103-61-7,5355254,[(E)-3-phenylprop-2-enyl] butanoate,CCCC(=O)OC/C=C/C1=CC=CC=C1,"InChI=1S/C13H16O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-6,8-10H,2,7,11H2,1H3/b10-6+",YZYPQKZWNXANRB-UXBLZVDNSA-N,C13H16O2,204.26,204.1150297,3.1,26.3,203,0,0,2,6,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"FORMAMIDE, N-PHENYL-",000103-70-8,7671,N-phenylformamide,C1=CC=C(C=C1)NC=O,"InChI=1S/C7H7NO/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)",DYDNPESBYVVLBO-UHFFFAOYSA-N,C7H7NO,121.14,121.0527638,1.2,29.1,86,0,1,1,1,9,"greater than 235 °F (NTP, 1992)","520 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZENEACETAMIDE,000103-81-1,7680,2-phenylacetamide,C1=CC=C(C=C1)CC(=O)N,"InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)",LSBDFXRDZJMBSC-UHFFFAOYSA-N,C8H9NO,135.16,135.0684139,0.5,43.1,116,0,1,1,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ACETAMIDE, N-(4-METHYLPHENYL)-",000103-89-9,7684,N-(4-methylphenyl)acetamide,CC1=CC=C(C=C1)NC(=O)C,"InChI=1S/C9H11NO/c1-7-3-5-9(6-4-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)",YICAMJWHIUMFDI-UHFFFAOYSA-N,C9H11NO,149.19,149.084064,1.7,29.1,136,0,1,1,1,11,"335 °F (NTP, 1992)","585 °F at 760 mmHg (sublimes) (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETIC ACID, 4-METHOXY-",000104-01-8,7690,2-(4-methoxyphenyl)acetic acid,COC1=CC=C(C=C1)CC(=O)O,"InChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)",NRPFNQUDKRYCNX-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.4,46.5,148,0,1,3,3,12,,138.00 to 140.00 °C. @ 3.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"FORMIC ACID, PHENYLMETHYL ESTER",000104-57-4,7708,benzyl formate,C1=CC=C(C=C1)COC=O,"InChI=1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2",UYWQUFXKFGHYNT-UHFFFAOYSA-N,C8H8O2,136.15,136.0524295,1.6,26.3,95,0,0,2,3,10,,202.00 to 203.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, 4-(METHYLTHIO)-",000104-96-1,66038,4-methylsulfanylaniline,CSC1=CC=C(C=C1)N,"InChI=1S/C7H9NS/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3",YKFROQCFVXOUPW-UHFFFAOYSA-N,C7H9NS,139.22,139.0455705,1.8,51.3,77,0,1,2,1,9,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4,5-TETRACHLORO-3-NITROBENZENE",000117-18-0,8330,"1,2,4,5-tetrachloro-3-nitrobenzene",C1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)Cl,InChI=1S/C6HCl4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H,XQTLDIFVVHJORV-UHFFFAOYSA-N,C6HCl4NO2,260.9,260.873189,3.9,45.8,195,0,0,2,0,13,,"579 °F at 760 mmHg (NTP, 1992)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"ACETAMIDE, N-(4-METHOXY-2-NITROPHENYL)-",000119-81-3,67075,N-(4-methoxy-2-nitrophenyl)acetamide,CC(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-],"InChI=1S/C9H10N2O4/c1-6(12)10-8-4-3-7(15-2)5-9(8)11(13)14/h3-5H,1-2H3,(H,10,12)",QGEGALJODPBPGR-UHFFFAOYSA-N,C9H10N2O4,210.19,210.0640568,1.1,84.2,251,0,1,4,2,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANENITRILE, 3-[(2-HYDROXYETHYL)(3-METHYLPHENYL)AMINO]-",000119-95-9,67077,3-[N-(2-hydroxyethyl)-3-methylanilino]propanenitrile,CC1=CC(=CC=C1)N(CCC#N)CCO,"InChI=1S/C12H16N2O/c1-11-4-2-5-12(10-11)14(8-9-15)7-3-6-13/h2,4-5,10,15H,3,7-9H2,1H3",OSNNWHRYDJYFJL-UHFFFAOYSA-N,C12H16N2O,204.27,204.1262631,1.4,47.3,221,0,1,3,5,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1-CHLORO-2-NITRO-4-(TRIFLUOROMETHYL)-",000121-17-5,8462,1-chloro-2-nitro-4-(trifluoromethyl)benzene,C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])Cl,"InChI=1S/C7H3ClF3NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H",TZGFQIXRVUHDLE-UHFFFAOYSA-N,C7H3ClF3NO2,225.55,224.9804405,2.8,45.8,228,0,0,5,0,14,,"432.7 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENYLCARBAMIC ACID, 1-METHYLETHYL ESTER",000122-42-9,24685,propan-2-yl N-phenylcarbamate,CC(C)OC(=O)NC1=CC=CC=C1,"InChI=1S/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)",VXPLXMJHHKHSOA-UHFFFAOYSA-N,C10H13NO2,179.22,179.0946287,2.6,38.3,162,0,1,2,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEMETHANOL, 4-METHOXY-, FORMATE",000122-91-8,61054,(4-methoxyphenyl)methyl formate,COC1=CC=C(C=C1)COC=O,"InChI=1S/C9H10O3/c1-11-9-4-2-8(3-5-9)6-12-7-10/h2-5,7H,6H2,1H3",XPDORSROGAZEGY-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.7,35.5,128,0,0,3,4,12,,220.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 2,4-DICHLORO-1-(DICHLOROMETHYL)-",000134-25-8,8637,"2,4-dichloro-1-(dichloromethyl)benzene",C1=CC(=C(C=C1Cl)Cl)C(Cl)Cl,"InChI=1S/C7H4Cl4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,7H",AQVKVGOTPBBVMS-UHFFFAOYSA-N,C7H4Cl4,229.9,229.903761,5,0,126,0,0,0,1,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEMETHANOL, .ALPHA.-[1-(METHYLAMINO)ETHYL]-, HYDROCHLORIDE, (R*,S*)-(.+-.",000134-71-4,8648,2-(methylamino)-1-phenylpropan-1-ol;hydrochloride,CC(C(C1=CC=CC=C1)O)NC.Cl,"InChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H",BALXUFOVQVENIU-UHFFFAOYSA-N,C10H16ClNO,201.69,201.0920418,,32.3,121,0,3,2,3,13,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZOIC ACID, 2-AMINO-5-(AMINOSULFONYL)-",000137-65-5,67307,2-amino-5-sulfamoylbenzoic acid,C1=CC(=C(C=C1S(=O)(=O)N)C(=O)O)N,"InChI=1S/C7H8N2O4S/c8-6-2-1-4(14(9,12)13)3-5(6)7(10)11/h1-3H,8H2,(H,10,11)(H2,9,12,13)",JRGAUAWPCLQHTF-UHFFFAOYSA-N,C7H8N2O4S,216.22,216.0204779,-0.5,132,321,0,3,6,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 3-CHLORO-, HYDROCHLORIDE",000141-85-5,67336,3-chloroaniline;hydrochloride,C1=CC(=CC(=C1)Cl)N.Cl,"InChI=1S/C6H6ClN.ClH/c7-5-2-1-3-6(8)4-5;/h1-4H,8H2;1H",NMGHWHCTRGZZOP-UHFFFAOYSA-N,C6H7Cl2N,164.03,162.9955546,,26,74,0,2,1,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DINITOLMIDE,000148-01-6,3092,"2-methyl-3,5-dinitrobenzamide",CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)N,"InChI=1S/C8H7N3O5/c1-4-6(8(9)12)2-5(10(13)14)3-7(4)11(15)16/h2-3H,1H3,(H2,9,12)",ZEFNOZRLAWVAQF-UHFFFAOYSA-N,C8H7N3O5,225.16,225.0385703,0.7,135,321,0,1,5,1,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
EPHEDRINE,000299-42-3,9294,"(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol",C[C@@H]([C@@H](C1=CC=CC=C1)O)NC,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1",KWGRBVOPPLSCSI-WPRPVWTQSA-N,C10H15NO,165.23,165.1153641,0.9,32.3,121,0,2,2,3,12,,260 °C at 745 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHORIC ACID, MONO(4-NITROPHENYL) ESTER",000330-13-2,378,(4-nitrophenyl) dihydrogen phosphate,C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)O,"InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)",XZKIHKMTEMTJQX-UHFFFAOYSA-N,C6H6NO6P,219.09,218.9932739,0.3,113,250,0,2,6,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PSEUDOEPHEDRINE HYDROCHLORIDE,000345-78-8,9581,"(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride",C[C@@H]([C@H](C1=CC=CC=C1)O)NC.Cl,"InChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H/t8-,10+;/m0./s1",BALXUFOVQVENIU-KXNXZCPBSA-N,C10H16ClNO,201.69,201.0920418,,32.3,121,0,3,2,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"BENZENAMINE, 4-FLUORO-3-NITRO-",000364-76-1,67768,4-fluoro-3-nitroaniline,C1=CC(=C(C=C1N)[N+](=O)[O-])F,"InChI=1S/C6H5FN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2",LLIOADBCFIXIEU-UHFFFAOYSA-N,C6H5FN2O2,156.11,156.0335056,0.8,71.8,159,0,1,4,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 4-BROMO-2-(TRIFLUOROMETHYL)-",000445-02-3,67960,4-bromo-2-(trifluoromethyl)aniline,C1=CC(=C(C=C1Br)C(F)(F)F)N,"InChI=1S/C7H5BrF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2",PHXGKHTWEOPCEW-UHFFFAOYSA-N,C7H5BrF3N,240.02,238.95575,2.8,26,159,0,1,4,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETONITRILE, 3-FLUORO-",000501-00-8,68145,2-(3-fluorophenyl)acetonitrile,C1=CC(=CC(=C1)F)CC#N,"InChI=1S/C8H6FN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2",DEJPYROXSVVWIE-UHFFFAOYSA-N,C8H6FN,135.14,135.0484274,2,23.8,147,0,0,2,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETALDEHYDE, .ALPHA.-OXO-, ALDOXIME",000532-54-7,9566037,(2E)-2-hydroxyimino-1-phenylethanone,C1=CC=C(C=C1)C(=O)/C=N/O,"InChI=1S/C8H7NO2/c10-8(6-9-11)7-4-2-1-3-5-7/h1-6,11H/b9-6+",MLNKXLRYCLKJSS-RMKNXTFCSA-N,C8H7NO2,149.15,149.0476785,2.1,49.7,159,0,1,3,2,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 3-AMINO-4-HYDROXY-, METHYL ESTER",000536-25-4,10815,methyl 3-amino-4-hydroxybenzoate,COC(=O)C1=CC(=C(C=C1)O)N,"InChI=1S/C8H9NO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,9H2,1H3",VNQABZCSYCTZMS-UHFFFAOYSA-N,C8H9NO3,167.16,167.0582431,1,72.6,172,0,2,4,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-(3-METHYLPHENYL)-",000537-92-8,10843,N-(3-methylphenyl)acetamide,CC1=CC(=CC=C1)NC(=O)C,"InChI=1S/C9H11NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)",ALMHSXDYCFOZQD-UHFFFAOYSA-N,C9H11NO,149.19,149.084064,1.7,29.1,144,0,1,1,1,11,,"577 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, sulfanilyl-",000547-44-4,11033,(4-aminophenyl)sulfonylurea,C1=CC(=CC=C1N)S(=O)(=O)NC(=O)N,"InChI=1S/C7H9N3O3S/c8-5-1-3-6(4-2-5)14(12,13)10-7(9)11/h1-4H,8H2,(H3,9,10,11)",WVAKABMNNSMCDK-UHFFFAOYSA-N,C7H9N3O3S,215.23,215.0364623,-1.5,124,301,0,3,4,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZALDEHYDE, 4-AMINO-",000556-18-3,11158,4-aminobenzaldehyde,C1=CC(=CC=C1C=O)N,"InChI=1S/C7H7NO/c8-7-3-1-6(5-9)2-4-7/h1-5H,8H2",VATYWCRQDJIRAI-UHFFFAOYSA-N,C7H7NO,121.14,121.0527638,0.8,43.1,95,0,1,2,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"GLYCINE, N-ACETYL-N-PHENYL-",000579-98-6,68483,2-(N-acetylanilino)acetic acid,CC(=O)N(CC(=O)O)C1=CC=CC=C1,"InChI=1S/C10H11NO3/c1-8(12)11(7-10(13)14)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,14)",SHXTZVXDUILKNY-UHFFFAOYSA-N,C10H11NO3,193.2,193.0738932,0.9,57.6,221,0,1,3,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 4-BROMO-2-METHYL-",000583-75-5,11423,4-bromo-2-methylaniline,CC1=C(C=CC(=C1)Br)N,"InChI=1S/C7H8BrN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3",PCHYYOCUCGCSBU-UHFFFAOYSA-N,C7H8BrN,186.05,184.98401,1.9,26,94,0,1,1,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-BROMO-4-(1-METHYLETHYL)-",000586-61-8,11462,1-bromo-4-propan-2-ylbenzene,CC(C)C1=CC=C(C=C1)Br,"InChI=1S/C9H11Br/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3",MOZHUOIQYVYEPN-UHFFFAOYSA-N,C9H11Br,199.09,198.00441,3.9,0,90,0,0,0,1,10,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETAMIDE, N-(3-METHOXYPHENYL)-",000588-16-9,11494,N-(3-methoxyphenyl)acetamide,CC(=O)NC1=CC(=CC=C1)OC,"InChI=1S/C9H11NO2/c1-7(11)10-8-4-3-5-9(6-8)12-2/h3-6H,1-2H3,(H,10,11)",OIEFZHJNURGFFI-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,1.3,38.3,159,0,1,2,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETAMIDE, N-(3-ETHOXYPHENYL)-",000591-33-3,11570,N-(3-ethoxyphenyl)acetamide,CCOC1=CC=CC(=C1)NC(=O)C,"InChI=1S/C10H13NO2/c1-3-13-10-6-4-5-9(7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)",YVTBOWVWYXJHLD-UHFFFAOYSA-N,C10H13NO2,179.22,179.0946287,1.8,38.3,170,0,1,2,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-BENZENEDIOL, 2-NITRO-",000601-89-8,11760,"2-nitrobenzene-1,3-diol",C1=CC(=C(C(=C1)O)[N+](=O)[O-])O,"InChI=1S/C6H5NO4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H",ZLCPKMIJYMHZMJ-UHFFFAOYSA-N,C6H5NO4,155.11,155.0218576,1.6,86.3,145,0,2,4,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1,3,5-TRIMETHYL-2-NITRO-",000603-71-4,69051,"1,3,5-trimethyl-2-nitrobenzene",CC1=CC(=C(C(=C1)C)[N+](=O)[O-])C,"InChI=1S/C9H11NO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3",SCEKDQTVGHRSNS-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,2.8,45.8,164,0,0,2,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, N,N-DIETHYL-2-METHYL-",000606-46-2,69075,"N,N-diethyl-2-methylaniline",CCN(CC)C1=CC=CC=C1C,"InChI=1S/C11H17N/c1-4-12(5-2)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3",YQYUUNRAPYPAPC-UHFFFAOYSA-N,C11H17N,163.26,163.1360995,3.6,3.2,118,0,0,1,3,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOIC ACID, 2-AMINO-3,5-DIIODO-",000609-86-9,69116,"2-amino-3,5-diiodobenzoic acid",C1=C(C=C(C(=C1C(=O)O)N)I)I,"InChI=1S/C7H5I2NO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)",RFIBDMCPIREZKC-UHFFFAOYSA-N,C7H5I2NO2,388.93,388.84097,4.2,63.3,188,0,2,3,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BENZENEDICARBOXYLIC ACID, 4-NITRO-, DIMETHYL ESTER",000610-22-0,69119,"dimethyl 4-nitrobenzene-1,2-dicarboxylate",COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC,"InChI=1S/C10H9NO6/c1-16-9(12)7-4-3-6(11(14)15)5-8(7)10(13)17-2/h3-5H,1-2H3",XWBDWELWBUWSNI-UHFFFAOYSA-N,C10H9NO6,239.18,239.042987,1.4,98.4,323,0,0,6,4,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1-ETHOXY-2,4-DINITRO-",000610-54-8,11887,"1-ethoxy-2,4-dinitrobenzene",CCOC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C8H8N2O5/c1-2-15-8-4-3-6(9(11)12)5-7(8)10(13)14/h3-5H,2H2,1H3",YSOKMOXAGMIZFZ-UHFFFAOYSA-N,C8H8N2O5,212.16,212.0433214,2.3,101,246,0,0,5,2,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 2-BROMO-, METHYL ESTER",000610-94-6,11894,methyl 2-bromobenzoate,COC(=O)C1=CC=CC=C1Br,"InChI=1S/C8H7BrO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3",SWGQITQOBPXVRC-UHFFFAOYSA-N,C8H7BrO2,215.04,213.96294,2.4,26.3,147,0,0,2,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 5-CHLORO-2-NITRO-",000611-07-4,11900,5-chloro-2-nitrophenol,C1=CC(=C(C=C1Cl)O)[N+](=O)[O-],"InChI=1S/C6H4ClNO3/c7-4-1-2-5(8(10)11)6(9)3-4/h1-3,9H",MZDBQSFPAMTTIS-UHFFFAOYSA-N,C6H4ClNO3,173.55,172.9879707,2.5,66.1,158,0,1,3,0,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, 4-(DIPROPYLAMINO)-",000613-28-5,69171,4-(dipropylamino)benzaldehyde,CCCN(CCC)C1=CC=C(C=C1)C=O,"InChI=1S/C13H19NO/c1-3-9-14(10-4-2)13-7-5-12(11-15)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3",HDOZLDYBGNJMMZ-UHFFFAOYSA-N,C13H19NO,205.3,205.1466642,3.3,20.3,167,0,0,2,6,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZAMIDE, 4-AMINO-N-[2-(DIETHYLAMINO)ETHYL]-, MONOHYDROCHLORIDE",000614-39-1,66068,4-amino-N-[2-(diethylamino)ethyl]benzamide;hydrochloride,CCN(CC)CCNC(=O)C1=CC=C(C=C1)N.Cl,"InChI=1S/C13H21N3O.ClH/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17);1H",ABTXGJFUQRCPNH-UHFFFAOYSA-N,C13H22ClN3O,271.78,271.14514,,58.4,221,0,3,3,6,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 4-ETHOXY-2-NITRO-",000616-86-4,69229,4-ethoxy-2-nitroaniline,CCOC1=CC(=C(C=C1)N)[N+](=O)[O-],"InChI=1S/C8H10N2O3/c1-2-13-6-3-4-7(9)8(5-6)10(11)12/h3-5H,2,9H2,1H3",ISFYBUAVOZFROB-UHFFFAOYSA-N,C8H10N2O3,182.18,182.0691422,2.2,81.1,181,0,1,4,2,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HYDRAZINE, 1-METHYL-1-PHENYL-",000618-40-6,36299,1-methyl-1-phenylhydrazine,CN(C1=CC=CC=C1)N,"InChI=1S/C7H10N2/c1-9(8)7-5-3-2-4-6-7/h2-6H,8H2,1H3",MWOODERJGVWYJE-UHFFFAOYSA-N,C7H10N2,122.17,122.0843983,1.6,29.3,77,0,1,2,1,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1,3-DICHLORO-5-NITRO-",000618-62-2,12064,"1,3-dichloro-5-nitrobenzene",C1=C(C=C(C=C1Cl)Cl)[N+](=O)[O-],InChI=1S/C6H3Cl2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H,RNABGKOKSBUFHW-UHFFFAOYSA-N,C6H3Cl2NO2,192,190.9540837,3.1,45.8,149,0,0,2,0,11,140 °C,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2,6-DICHLORO-4-NITRO-",000618-80-4,12066,"2,6-dichloro-4-nitrophenol",C1=C(C=C(C(=C1Cl)O)Cl)[N+](=O)[O-],"InChI=1S/C6H3Cl2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H",PXSGFTWBZNPNIC-UHFFFAOYSA-N,C6H3Cl2NO3,208,206.9489983,2.9,66.1,172,0,1,3,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-HYDROXY-4-NITRO-",000619-19-2,69266,2-hydroxy-4-nitrobenzoic acid,C1=CC(=C(C=C1[N+](=O)[O-])O)C(=O)O,"InChI=1S/C7H5NO5/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3,9H,(H,10,11)",UKWUOTZGXIZAJC-UHFFFAOYSA-N,C7H5NO5,183.12,183.0167723,2.3,103,223,0,2,5,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"GLYCINE, N-(4-NITROPHENYL)-",000619-91-0,12095,2-(4-nitroanilino)acetic acid,C1=CC(=CC=C1NCC(=O)O)[N+](=O)[O-],"InChI=1S/C8H8N2O4/c11-8(12)5-9-6-1-3-7(4-2-6)10(13)14/h1-4,9H,5H2,(H,11,12)",MTRZHSVFAGKMOA-UHFFFAOYSA-N,C8H8N2O4,196.16,196.0484067,0.4,95.2,218,0,2,5,3,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1-ETHOXY-3-METHYL-",000621-32-9,69305,1-ethoxy-3-methylbenzene,CCOC1=CC=CC(=C1)C,"InChI=1S/C9H12O/c1-3-10-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3",UALKQROXOHJHFG-UHFFFAOYSA-N,C9H12O,136.19,136.088815,3,9.2,90,0,0,1,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, 2-PHENOXY-",000621-88-5,69314,2-phenoxyacetamide,C1=CC=C(C=C1)OCC(=O)N,"InChI=1S/C8H9NO2/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)",AOPRXJXHLWYPQR-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,0.8,52.3,130,0,1,2,3,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 3-IODO-",000626-01-7,12271,3-iodoaniline,C1=CC(=CC(=C1)I)N,"InChI=1S/C6H6IN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2",FFCSRWGYGMRBGD-UHFFFAOYSA-N,C6H6IN,219.02,218.9545,1.7,26,74,0,1,1,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PROPANOL, 3-CHLORO-, 4-METHYLBENZENESULFONATE",000632-02-0,69434,3-chloropropyl 4-methylbenzenesulfonate,CC1=CC=C(C=C1)S(=O)(=O)OCCCCl,"InChI=1S/C10H13ClO3S/c1-9-3-5-10(6-4-9)15(12,13)14-8-2-7-11/h3-6H,2,7-8H2,1H3",NQCQVNHLNXCSPY-UHFFFAOYSA-N,C10H13ClO3S,248.73,248.0273931,2.4,51.8,263,0,0,3,5,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,3-BENZENEDIOL, 2-AMINO-, HYDROCHLORIDE",000634-60-6,459247,"2-aminobenzene-1,3-diol;hydrochloride",C1=CC(=C(C(=C1)O)N)O.Cl,"InChI=1S/C6H7NO2.ClH/c7-6-4(8)2-1-3-5(6)9;/h1-3,8-9H,7H2;1H",QOVNXPCVVNCPQC-UHFFFAOYSA-N,C6H8ClNO2,161.58,161.0243562,,66.5,87,0,4,3,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, 4-ETHOXY-, HYDROCHLORIDE",000637-56-9,69478,4-ethoxyaniline;hydrochloride,CCOC1=CC=C(C=C1)N.Cl,"InChI=1S/C8H11NO.ClH/c1-2-10-8-5-3-7(9)4-6-8;/h3-6H,2,9H2,1H3;1H",JVWYCUBGJVOEIZ-UHFFFAOYSA-N,C8H12ClNO,173.64,173.0607417,,35.3,87,0,2,2,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-CHLORO-4-IODO-",000637-87-6,12510,1-chloro-4-iodobenzene,C1=CC(=CC=C1Cl)I,InChI=1S/C6H4ClI/c7-5-1-3-6(8)4-2-5/h1-4H,GWQSENYKCGJTRI-UHFFFAOYSA-N,C6H4ClI,238.45,237.90463,3.6,0,66,0,0,0,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-IODO-3-METHOXY-",000766-85-8,69839,1-iodo-3-methoxybenzene,COC1=CC(=CC=C1)I,"InChI=1S/C7H7IO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3",RSHBAGGASAJQCH-UHFFFAOYSA-N,C7H7IO,234.03,233.95416,2.9,9.2,85,0,0,1,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETONITRILE, .ALPHA.-ETHYL-",000769-68-6,95334,2-phenylbutanenitrile,CCC(C#N)C1=CC=CC=C1,"InChI=1S/C10H11N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3",IZPUPXNVRNBDSW-UHFFFAOYSA-N,C10H11N,145.2,145.0891494,2.5,23.8,148,0,0,1,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, (DIETHOXYMETHYL)-",000774-48-1,69884,diethoxymethylbenzene,CCOC(C1=CC=CC=C1)OCC,"InChI=1S/C11H16O2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3",MAQMEXSLUSZDQM-UHFFFAOYSA-N,C11H16O2,180.24,180.1150297,2.3,18.5,113,0,0,2,5,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, 2,6-DIBROMO-4-NITRO-",000827-94-1,13231,"2,6-dibromo-4-nitroaniline",C1=C(C=C(C(=C1Br)N)Br)[N+](=O)[O-],"InChI=1S/C6H4Br2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2",YMZIFDLWYUSZCC-UHFFFAOYSA-N,C6H4Br2N2O2,295.92,295.8619,3.2,71.8,173,0,1,3,0,12,,207 °C,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1-ETHYL-2,4-DIMETHYL-",000874-41-9,13403,"1-ethyl-2,4-dimethylbenzene",CCC1=C(C=C(C=C1)C)C,"InChI=1S/C10H14/c1-4-10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3",MEMBJMDZWKVOTB-UHFFFAOYSA-N,C10H14,134.22,134.1095504,3.9,0,96,0,0,0,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANAMIDE, 3-OXO-N-(PHENYLMETHYL)-",000882-36-0,70159,N-benzyl-3-oxobutanamide,CC(=O)CC(=O)NCC1=CC=CC=C1,"InChI=1S/C11H13NO2/c1-9(13)7-11(14)12-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,14)",KOHNUEXAOQRRPI-UHFFFAOYSA-N,C11H13NO2,191.23,191.0946287,1.1,46.2,207,0,1,2,4,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-PROPANONE, 3-CHLORO-1-PHENYL-",000936-59-4,70295,3-chloro-1-phenylpropan-1-one,C1=CC=C(C=C1)C(=O)CCCl,"InChI=1S/C9H9ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2",KTJRGPZVSKWRTJ-UHFFFAOYSA-N,C9H9ClO,168.62,168.0341926,2.2,17.1,128,0,0,1,3,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PROPANONE, 1-(2-HYDROXY-5-METHYLPHENYL)-",000938-45-4,70311,1-(2-hydroxy-5-methylphenyl)propan-1-one,CCC(=O)C1=C(C=CC(=C1)C)O,"InChI=1S/C10H12O2/c1-3-9(11)8-6-7(2)4-5-10(8)12/h4-6,12H,3H2,1-2H3",CXZJBPYDVCLMFX-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,2.9,37.3,165,0,1,2,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1-METHYL-4-(1-METHYLETHYL)-2-NITRO-",000943-15-7,70340,1-methyl-2-nitro-4-propan-2-ylbenzene,CC1=C(C=C(C=C1)C(C)C)[N+](=O)[O-],"InChI=1S/C10H13NO2/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h4-7H,1-3H3",DRKFWQDBPGTSOO-UHFFFAOYSA-N,C10H13NO2,179.22,179.0946287,3.2,45.8,186,0,0,2,1,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 2,6-BIS(1,1-DIMETHYLETHYL)-4-NITROSO-",000955-03-3,70383,"2,6-ditert-butyl-4-nitrosophenol",CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N=O,"InChI=1S/C14H21NO2/c1-13(2,3)10-7-9(15-17)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3",JLOKPJOOVQELMO-UHFFFAOYSA-N,C14H21NO2,235.32,235.1572289,4.3,49.7,251,0,1,3,2,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHORIC ACID, 2-CHLORO-1-(2,4,5-TRICHLOROPHENYL)VINYL DIMETHYL ESTER",000961-11-5,13745,"[2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate",COP(=O)(OC)OC(=CCl)C1=CC(=C(C=C1Cl)Cl)Cl,"InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3",UBCKGWBNUIFUST-UHFFFAOYSA-N,C10H9Cl4O4P,366,365.896306,3.5,44.8,371,0,0,4,5,19,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carvacrol, 5-(2-(N,N-dimethylamino)ethoxy)-, acetate, hydrochloride",000964-52-3,6420039,[4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] acetate;hydrochloride,CC1=CC(=C(C=C1OC(=O)C)C(C)C)OCCN(C)C.Cl,"InChI=1S/C16H25NO3.ClH/c1-11(2)14-10-15(20-13(4)18)12(3)9-16(14)19-8-7-17(5)6;/h9-11H,7-8H2,1-6H3;1H",IPWGSXZCDPTDEH-UHFFFAOYSA-N,C16H26ClNO3,315.83,315.1601214,,38.8,304,0,1,4,7,21,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-BUTANONE, 1-(4-HYDROXYPHENYL)-",001009-11-6,66092,1-(4-hydroxyphenyl)butan-1-one,CCCC(=O)C1=CC=C(C=C1)O,"InChI=1S/C10H12O2/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,11H,2-3H2,1H3",GFBLPULLSAPXDC-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,2.4,37.3,146,0,1,2,3,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1-CHLORO-2-METHOXY-4-NITRO-",001009-36-5,70519,1-chloro-2-methoxy-4-nitrobenzene,COC1=C(C=CC(=C1)[N+](=O)[O-])Cl,"InChI=1S/C7H6ClNO3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3",JXIJUAWSDBACEB-UHFFFAOYSA-N,C7H6ClNO3,187.58,187.0036207,2.5,55.1,171,0,0,3,1,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 3,4,5-TRIHYDROXY-, OCTYL ESTER",001034-01-1,61253,"octyl 3,4,5-trihydroxybenzoate",CCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O,"InChI=1S/C15H22O5/c1-2-3-4-5-6-7-8-20-15(19)11-9-12(16)14(18)13(17)10-11/h9-10,16-18H,2-8H2,1H3",NRPKURNSADTHLJ-UHFFFAOYSA-N,C15H22O5,282.33,282.1467238,3.7,87,269,0,3,5,9,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"PHENOL, 2-(METHYLTHIO)-",001073-29-6,61261,2-methylsulfanylphenol,CSC1=CC=CC=C1O,"InChI=1S/C7H8OS/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3",SOOARYARZPXNAL-UHFFFAOYSA-N,C7H8OS,140.2,140.0295861,2.1,45.5,85,0,1,2,1,9,,218.00 to 219.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETAMIDE, 2-CHLORO-N-(2,6-DIMETHYLPHENYL)-",001131-01-7,70798,"2-chloro-N-(2,6-dimethylphenyl)acetamide",CC1=C(C(=CC=C1)C)NC(=O)CCl,"InChI=1S/C10H12ClNO/c1-7-4-3-5-8(2)10(7)12-9(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)",FPQQSNUTBWFFLB-UHFFFAOYSA-N,C10H12ClNO,197.66,197.0607417,1.9,29.1,174,0,1,1,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 2-BROMO-1,3,5-TRIMETHOXY-",001131-40-4,70802,"2-bromo-1,3,5-trimethoxybenzene",COC1=CC(=C(C(=C1)OC)Br)OC,"InChI=1S/C9H11BrO3/c1-11-6-4-7(12-2)9(10)8(5-6)13-3/h4-5H,1-3H3",BPWYNWSOQOXOPI-UHFFFAOYSA-N,C9H11BrO3,247.09,245.98916,2.5,27.7,140,0,0,3,3,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BENZENEDIAMINE, 2,4,5,6-TETRAFLUORO-",001198-63-6,70978,"2,4,5,6-tetrafluorobenzene-1,3-diamine",C1(=C(C(=C(C(=C1F)F)F)N)F)N,InChI=1S/C6H4F4N2/c7-1-2(8)5(11)4(10)6(12)3(1)9/h11-12H2,FXGQUGCFZKMIJW-UHFFFAOYSA-N,C6H4F4N2,180.1,180.0310608,1,52,152,0,2,6,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-BENZENEDIAMINE, 2,3,5,6-TETRAFLUORO-",001198-64-7,70979,"2,3,5,6-tetrafluorobenzene-1,4-diamine",C1(=C(C(=C(C(=C1F)F)N)F)F)N,InChI=1S/C6H4F4N2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H2,FVFYRXJKYAVFSB-UHFFFAOYSA-N,C6H4F4N2,180.1,180.0310608,1,52,134,0,2,6,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, (1,1-DIMETHYLETHYL)-",001320-16-7,136850,2-tert-butylbenzoic acid,CC(C)(C)C1=CC=CC=C1C(=O)O,"InChI=1S/C11H14O2/c1-11(2,3)9-7-5-4-6-8(9)10(12)13/h4-7H,1-3H3,(H,12,13)",ZDFKSZDMHJHQHS-UHFFFAOYSA-N,C11H14O2,178.23,178.0993797,3.8,37.3,191,0,1,2,2,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, HYDROXYMETHOXY-, MONOPOTASSIUM SALT",001321-14-8,102601439,potassium;4-hydroxy-3-methoxybenzenesulfonate;hydrate,COC1=C(C=CC(=C1)S(=O)(=O)[O-])O.O.[K+],"InChI=1S/C7H8O5S.K.H2O/c1-12-7-4-5(13(9,10)11)2-3-6(7)8;;/h2-4,8H,1H3,(H,9,10,11);;1H2/q;+1;/p-1",UZXRQGSKGNYWCP-UHFFFAOYSA-M,C7H9KO6S,260.31,259.9756907,,96,260,0,2,6,2,15,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONAMIDE, 4-AMINO-N,N-DIMETHYL-",001709-59-7,74369,"4-amino-N,N-dimethylbenzenesulfonamide",CN(C)S(=O)(=O)C1=CC=C(C=C1)N,"InChI=1S/C8H12N2O2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3",BABGMPQXLCJMSK-UHFFFAOYSA-N,C8H12N2O2S,200.26,200.0619488,0.7,71.8,248,0,1,4,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Urea, 3-(p-chlorophenyl)-1-methoxy-1-methyl-",001746-81-2,15629,3-(4-chlorophenyl)-1-methoxy-1-methylurea,CN(C(=O)NC1=CC=C(C=C1)Cl)OC,"InChI=1S/C9H11ClN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)",LKJPSUCKSLORMF-UHFFFAOYSA-N,C9H11ClN2O2,214.65,214.0509053,2.3,41.6,193,0,1,2,2,14,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"ACETAMIDE, 2-(HYDROXYIMINO)-N-PHENYL-",001769-41-1,6861488,(2E)-2-hydroxyimino-N-phenylacetamide,C1=CC=C(C=C1)NC(=O)/C=N/O,"InChI=1S/C8H8N2O2/c11-8(6-9-12)10-7-4-2-1-3-5-7/h1-6,12H,(H,10,11)/b9-6+",UFNDNNCDEFJCHU-RMKNXTFCSA-N,C8H8N2O2,164.16,164.0585775,1.8,61.7,174,0,2,3,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMMONIUM BENZOATE,001863-63-4,15830,azanium benzoate,C1=CC=C(C=C1)C(=O)[O-].[NH4+],"InChI=1S/C7H6O2.H3N/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);1H3",VWSRWGFGAAKTQG-UHFFFAOYSA-N,C7H9NO2,139.15,139.0633285,,41.1,98,0,1,2,0,10,,160 °C (SUBLIMES),0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 3-ETHOXY-N,N-DIETHYL-",001864-92-2,74625,"3-ethoxy-N,N-diethylaniline",CCN(CC)C1=CC(=CC=C1)OCC,"InChI=1S/C12H19NO/c1-4-13(5-2)11-8-7-9-12(10-11)14-6-3/h7-10H,4-6H2,1-3H3",ODQSBWZDOSNPAH-UHFFFAOYSA-N,C12H19NO,193.28,193.1466642,3.1,12.5,145,0,0,2,5,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-PROPENOIC ACID, 3-PHENYL-, 2-PROPENYL ESTER",001866-31-5,641423,prop-2-enyl (E)-3-phenylprop-2-enoate,C=CCOC(=O)/C=C/C1=CC=CC=C1,"InChI=1S/C12H12O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2-9H,1,10H2/b9-8+",KCMITHMNVLRGJU-CMDGGOBGSA-N,C12H12O2,188.22,188.0837296,3,26.3,212,0,0,2,5,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, (4-METHOXYPHENOXY)-",001877-75-4,74649,2-(4-methoxyphenoxy)acetic acid,COC1=CC=C(C=C1)OCC(=O)O,"InChI=1S/C9H10O4/c1-12-7-2-4-8(5-3-7)13-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)",BHFSBJHPPFJCOS-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,1.2,55.8,161,0,1,4,4,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZONITRILE, 2,6-DIFLUORO-",001897-52-5,74695,"2,6-difluorobenzonitrile",C1=CC(=C(C(=C1)F)C#N)F,InChI=1S/C7H3F2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,BNBRIFIJRKJGEI-UHFFFAOYSA-N,C7H3F2N,139.1,139.0233554,1.8,23.8,150,0,0,3,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-D 2-ETHYLHEXYL ESTER",001928-43-4,61286,"2-ethylhexyl 2-(2,4-dichlorophenoxy)acetate",CCCCC(CC)COC(=O)COC1=C(C=C(C=C1)Cl)Cl,"InChI=1S/C16H22Cl2O3/c1-3-5-6-12(4-2)10-21-16(19)11-20-15-8-7-13(17)9-14(15)18/h7-9,12H,3-6,10-11H2,1-2H3",QZSFJRIWRPJUOH-UHFFFAOYSA-N,C16H22Cl2O3,333.2,332.0945999,6.3,35.5,299,0,0,3,10,21,171 °C (Cleveland open cup),>300 °C (decomp),1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"4-BROMO-2,5-DICHLOROPHENOL.",001940-42-7,16022,"4-bromo-2,5-dichlorophenol",C1=C(C(=CC(=C1Cl)Br)Cl)O,"InChI=1S/C6H3BrCl2O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H",HWWKEEKUMAZJLL-UHFFFAOYSA-N,C6H3BrCl2O,241.89,239.87443,3.8,20.2,122,0,1,1,0,10,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BENZENEDICARBOXYLIC ACID, 5-NITRO-, MONOMETHYL ESTER",001955-46-0,74776,3-methoxycarbonyl-5-nitrobenzoic acid,COC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-],"InChI=1S/C9H7NO6/c1-16-9(13)6-2-5(8(11)12)3-7(4-6)10(14)15/h2-4H,1H3,(H,11,12)",ZCRNIIJXDRYWDU-UHFFFAOYSA-N,C9H7NO6,225.15,225.0273369,1.5,109,310,0,1,6,3,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1,4-DICHLORO-2-METHOXY-",001984-58-3,16125,"1,4-dichloro-2-methoxybenzene",COC1=C(C=CC(=C1)Cl)Cl,"InChI=1S/C7H6Cl2O/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3",QKMNFFSBZRGHDJ-UHFFFAOYSA-N,C7H6Cl2O,177.02,175.9795702,3.3,9.2,108,0,0,1,1,10,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 4-HEPTYL-",001987-50-4,16143,4-heptylphenol,CCCCCCCC1=CC=C(C=C1)O,"InChI=1S/C13H20O/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11,14H,2-7H2,1H3",KNDDEFBFJLKPFE-UHFFFAOYSA-N,C13H20O,192.3,192.1514153,4.8,20.2,125,0,1,1,6,14,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEMETHANOL, .ALPHA.-(TRICHLOROMETHYL)-",002000-43-3,16150,"2,2,2-trichloro-1-phenylethanol",C1=CC=C(C=C1)C(C(Cl)(Cl)Cl)O,"InChI=1S/C8H7Cl3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H",ABFRBTDJEKZSRM-UHFFFAOYSA-N,C8H7Cl3O,225.5,223.956248,2.9,20.2,138,0,1,1,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, SALT WITH 2-HYDROXYBENZOIC ACID (1:1",002016-36-6,54686350,2-carboxyphenolate;2-hydroxyethyl(trimethyl)azanium,C[N+](C)(C)CCO.C1=CC=C(C(=C1)C(=O)O)[O-],"InChI=1S/C7H6O3.C5H14NO/c8-6-4-2-1-3-5(6)7(9)10;1-6(2,3)4-5-7/h1-4,8H,(H,9,10);7H,4-5H2,1-3H3/q;+1/p-1",UDKCHVLMFQVBAA-UHFFFAOYSA-M,C12H19NO4,241.28,241.1314081,,80.6,179,0,2,4,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 2-CYANO-3-PHENYL-, ETHYL ESTER",002025-40-3,74845,ethyl 2-cyano-3-phenylprop-2-enoate,CCOC(=O)C(=CC1=CC=CC=C1)C#N,"InChI=1S/C12H11NO2/c1-2-15-12(14)11(9-13)8-10-6-4-3-5-7-10/h3-8H,2H2,1H3",KCDAMWRCUXGACP-UHFFFAOYSA-N,C12H11NO2,201.22,201.0789786,2.4,50.1,292,0,0,3,4,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEPROPANOL, .ALPHA.,.GAMMA.,.GAMMA.-TRIMETHYL-",002035-93-0,99870,4-methyl-4-phenylpentan-2-ol,CC(CC(C)(C)C1=CC=CC=C1)O,"InChI=1S/C12H18O/c1-10(13)9-12(2,3)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3",NCYQVRNLBAYSLE-UHFFFAOYSA-N,C12H18O,178.27,178.1357652,3.2,20.2,145,0,1,1,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANAMIDE, N-(2,5-DICHLOROPHENYL)-3-OXO-",002044-72-6,74890,"N-(2,5-dichlorophenyl)-3-oxobutanamide",CC(=O)CC(=O)NC1=C(C=CC(=C1)Cl)Cl,"InChI=1S/C10H9Cl2NO2/c1-6(14)4-10(15)13-9-5-7(11)2-3-8(9)12/h2-3,5H,4H2,1H3,(H,13,15)",HLMZZYYGOKOOTA-UHFFFAOYSA-N,C10H9Cl2NO2,246.09,245.0010339,2.6,46.2,258,0,1,2,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-HYDROXY-, PENTYL ESTER",002050-08-0,16299,pentyl 2-hydroxybenzoate,CCCCCOC(=O)C1=CC=CC=C1O,"InChI=1S/C12H16O3/c1-2-3-6-9-15-12(14)10-7-4-5-8-11(10)13/h4-5,7-8,13H,2-3,6,9H2,1H3",RANVDUNFZBMTBK-UHFFFAOYSA-N,C12H16O3,208.25,208.1099444,5.2,46.5,191,0,1,3,6,15,,268.00 °C. @ 760.00 mm Hg,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETAMIDE, N-(4-AMINOPHENYL)-N-ETHYL-",002051-82-3,74921,N-(4-aminophenyl)-N-ethylacetamide,CCN(C1=CC=C(C=C1)N)C(=O)C,"InChI=1S/C10H14N2O/c1-3-12(8(2)13)10-6-4-9(11)5-7-10/h4-7H,3,11H2,1-2H3",AISFBLVWISFAEY-UHFFFAOYSA-N,C10H14N2O,178.23,178.1106131,1,46.3,174,0,1,2,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-HYDROXY-, BUTYL ESTER",002052-14-4,16330,butyl 2-hydroxybenzoate,CCCCOC(=O)C1=CC=CC=C1O,"InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7,12H,2-3,8H2,1H3",YFDUWSBGVPBWKF-UHFFFAOYSA-N,C11H14O3,194.23,194.0942943,4.6,46.5,179,0,1,3,5,14,,271.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 2-CHLORO-1,4-DIMETHOXY-",002100-42-7,246724,"2-chloro-1,4-dimethoxybenzene",COC1=CC(=C(C=C1)OC)Cl,"InChI=1S/C8H9ClO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3",QMXZSRVFIWACJH-UHFFFAOYSA-N,C8H9ClO2,172.61,172.0291072,2.7,18.5,119,0,0,2,2,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(2-CHLOROPHENYL)-",002142-68-9,72864,1-(2-chlorophenyl)ethanone,CC(=O)C1=CC=CC=C1Cl,"InChI=1S/C8H7ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3",ZDOYHCIRUPHUHN-UHFFFAOYSA-N,C8H7ClO,154.59,154.0185425,2.1,17.1,133,0,0,1,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, 2,3,4-TRIHYDROXY-",002144-08-3,75064,"2,3,4-trihydroxybenzaldehyde",C1=CC(=C(C(=C1C=O)O)O)O,"InChI=1S/C7H6O4/c8-3-4-1-2-5(9)7(11)6(4)10/h1-3,9-11H",CRPNQSVBEWWHIJ-UHFFFAOYSA-N,C7H6O4,154.12,154.0266087,0.9,77.8,147,0,3,4,1,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"[S-(R*,R*)]-.ALPHA.-(1-AMINOETHYL)BENZENEMETHANOL , HYDROCHLORIDE",002153-98-2,92920,"(1S,2S)-2-amino-1-phenylpropan-1-ol;hydrochloride",C[C@@H]([C@H](C1=CC=CC=C1)O)N.Cl,"InChI=1S/C9H13NO.ClH/c1-7(10)9(11)8-5-3-2-4-6-8;/h2-7,9,11H,10H2,1H3;1H/t7-,9+;/m0./s1",DYWNLSQWJMTVGJ-DKXTVVGFSA-N,C9H14ClNO,187.66,187.0763918,,46.3,110,0,3,2,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, N,N-DIETHYL-3-NITRO-",002216-16-2,75186,"N,N-diethyl-3-nitroaniline",CCN(CC)C1=CC(=CC=C1)[N+](=O)[O-],"InChI=1S/C10H14N2O2/c1-3-11(4-2)9-6-5-7-10(8-9)12(13)14/h5-8H,3-4H2,1-2H3",QSNHMSRICSDACJ-UHFFFAOYSA-N,C10H14N2O2,194.23,194.1055277,2.9,49.1,187,0,0,3,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"CARBAMIC ACID, (4-CHLOROPHENYL)-, 1-METHYLETHYL ESTER",002239-92-1,16712,propan-2-yl N-(4-chlorophenyl)carbamate,CC(C)OC(=O)NC1=CC=C(C=C1)Cl,"InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13)",BSMJHJAWPFPTKW-UHFFFAOYSA-N,C10H12ClNO2,213.66,213.0556563,3.2,38.3,189,0,1,2,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, (2-ISOTHIOCYANATOETHYL)-",002257-09-2,16741,2-isothiocyanatoethylbenzene,C1=CC=C(C=C1)CCN=C=S,"InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2",IZJDOKYDEWTZSO-UHFFFAOYSA-N,C9H9NS,163.24,163.0455705,3.5,44.5,144,0,0,2,3,11,,139.00 to 140.00 °C. @ 11.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 4-BROMO-, HYDRAZIDE",002297-64-5,75302,4-bromobenzenesulfonohydrazide,C1=CC(=CC=C1S(=O)(=O)NN)Br,"InChI=1S/C6H7BrN2O2S/c7-5-1-3-6(4-2-5)12(10,11)9-8/h1-4,9H,8H2",UXGNIMVLJMBZGY-UHFFFAOYSA-N,C6H7BrN2O2S,251.1,249.94116,0.6,80.6,228,0,2,4,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 4-BROMO-2,6-DIMETHYL-",002374-05-2,16919,"4-bromo-2,6-dimethylphenol",CC1=CC(=CC(=C1O)C)Br,"InChI=1S/C8H9BrO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3",ZLVFYUORUHNMBO-UHFFFAOYSA-N,C8H9BrO,201.06,199.98368,2,20.2,104,0,1,1,0,10,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANAMIDE, N-(4-METHYLPHENYL)-3-OXO-",002415-85-2,17015,N-(4-methylphenyl)-3-oxobutanamide,CC1=CC=C(C=C1)NC(=O)CC(=O)C,"InChI=1S/C11H13NO2/c1-8-3-5-10(6-4-8)12-11(14)7-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)",MJGLMEMIYDUEHA-UHFFFAOYSA-N,C11H13NO2,191.23,191.0946287,2.1,46.2,217,0,1,2,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetohydroxamic acid, 2-(p-butoxyphenyl)-",002438-72-4,2466,2-(4-butoxyphenyl)-N-hydroxyacetamide,CCCCOC1=CC=C(C=C1)CC(=O)NO,"InChI=1S/C12H17NO3/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14)",MXJWRABVEGLYDG-UHFFFAOYSA-N,C12H17NO3,223.27,223.1208434,1.9,58.6,200,0,2,3,6,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,4-BENZENEDIOL, 2,6-BIS(1,1-DIMETHYLETHYL)-",002444-28-2,75550,"2,6-ditert-butylbenzene-1,4-diol",CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)O,"InChI=1S/C14H22O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8,15-16H,1-6H3",JFGVTUJBHHZRAB-UHFFFAOYSA-N,C14H22O2,222.32,222.1619799,4.6,40.5,210,0,2,2,2,16,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, 4-ETHOXY-3-HYDROXY-",002539-53-9,75679,4-ethoxy-3-hydroxybenzaldehyde,CCOC1=C(C=C(C=C1)C=O)O,"InChI=1S/C9H10O3/c1-2-12-9-4-3-7(6-10)5-8(9)11/h3-6,11H,2H2,1H3",BCLVKHGKEGFPJV-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.3,46.5,147,0,1,3,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,5-T ESTERS [CAS NO. 002545-59-7]",002545-59-7,17349,"2-butoxyethyl 2-(2,4,5-trichlorophenoxy)acetate",CCCCOCCOC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl,"InChI=1S/C14H17Cl3O4/c1-2-3-4-19-5-6-20-14(18)9-21-13-8-11(16)10(15)7-12(13)17/h7-8H,2-6,9H2,1H3",GLDWASBMYWLQGG-UHFFFAOYSA-N,C14H17Cl3O4,355.6,354.019242,4.7,44.8,304,0,0,4,10,21,"265-420 °F (OPEN CUP) /2,4,5-T ESTERS/",,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-(2,5-DICHLOROPHENYL)-",002621-62-7,17494,"N-(2,5-dichlorophenyl)acetamide",CC(=O)NC1=C(C=CC(=C1)Cl)Cl,"InChI=1S/C8H7Cl2NO/c1-5(12)11-8-4-6(9)2-3-7(8)10/h2-4H,1H3,(H,11,12)",ICZFWTSENFTULW-UHFFFAOYSA-N,C8H7Cl2NO,204.05,202.9904692,2.2,29.1,174,0,1,1,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ACETAMIDE, N-[4-(ACETYLOXY)PHENYL]-",002623-33-8,17499,(4-acetamidophenyl) acetate,CC(=O)NC1=CC=C(C=C1)OC(=O)C,"InChI=1S/C10H11NO3/c1-7(12)11-9-3-5-10(6-4-9)14-8(2)13/h3-6H,1-2H3,(H,11,12)",UJAOSPFULOFZRR-UHFFFAOYSA-N,C10H11NO3,193.2,193.0738932,0.8,55.4,219,0,1,3,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANONE, 1-(3,4-DICHLOROPHENYL)-",002642-63-9,75841,"1-(3,4-dichlorophenyl)ethanone",CC(=O)C1=CC(=C(C=C1)Cl)Cl,"InChI=1S/C8H6Cl2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3",WBPAOUHWPONFEQ-UHFFFAOYSA-N,C8H6Cl2O,189.04,187.9795702,3.1,17.1,158,0,0,1,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SILANOL, 1,4-PHENYLENEBIS[DIMETHYL-",002754-32-7,75989,hydroxy-[4-[hydroxy(dimethyl)silyl]phenyl]-dimethylsilane,C[Si](C)(C1=CC=C(C=C1)[Si](C)(C)O)O,"InChI=1S/C10H18O2Si2/c1-13(2,11)9-5-7-10(8-6-9)14(3,4)12/h5-8,11-12H,1-4H3",YBNBOGKRCOCJHH-UHFFFAOYSA-N,C10H18O2Si2,226.42,226.0845329,,40.5,174,0,2,2,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-ETHYL-2-METHOXYPHENOL,002785-89-9,62465,4-ethyl-2-methoxyphenol,CCC1=CC(=C(C=C1)O)OC,"InChI=1S/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3",CHWNEIVBYREQRF-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,1.7,29.5,114,0,1,2,2,11,,235.00 to 236.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 4-AMINO-3-METHYL-",002835-99-6,17819,4-amino-3-methylphenol,CC1=C(C=CC(=C1)O)N,"InChI=1S/C7H9NO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,8H2,1H3",QGNGOGOOPUYKMC-UHFFFAOYSA-N,C7H9NO,123.15,123.0684139,0.9,46.3,94,0,2,2,0,9,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"Benzene, 1,2,4-trimethoxy-5-propenyl-, (E)-",002883-98-9,636822,"1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene",C/C=C/C1=CC(=C(C=C1OC)OC)OC,"InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+",RKFAZBXYICVSKP-AATRIKPKSA-N,C12H16O3,208.25,208.1099444,3,27.7,203,0,0,3,4,15,,296 °C @ 760 MM HG,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"THIOCYANIC ACID, PHENYLMETHYL ESTER",003012-37-1,18170,benzyl thiocyanate,C1=CC=C(C=C1)CSC#N,"InChI=1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2",ABNDFSOIUFLJAH-UHFFFAOYSA-N,C8H7NS,149.21,149.0299204,2,49.1,129,0,0,2,2,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1,3-DICHLORO-5-IODO-",003032-81-3,76424,"1,3-dichloro-5-iodobenzene",C1=C(C=C(C=C1Cl)I)Cl,InChI=1S/C6H3Cl2I/c7-4-1-5(8)3-6(9)2-4/h1-3H,AATPRMRVLQZEHB-UHFFFAOYSA-N,C6H3Cl2I,272.89,271.86565,3.8,0,87,0,0,0,0,9,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PENTEN-3-ONE, 4-METHYL-1-PHENYL-",003160-32-5,5354448,(E)-4-methyl-1-phenylpent-1-en-3-one,CC(C)C(=O)/C=C/C1=CC=CC=C1,"InChI=1S/C12H14O/c1-10(2)12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+",CAXIQKXPSQYDIR-CMDGGOBGSA-N,C12H14O,174.24,174.1044651,3.1,17.1,185,0,0,1,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZAMIDE, N-(AMINOIMINOMETHYL)-",003166-00-5,76630,N-(diaminomethylidene)benzamide,C1=CC=C(C=C1)C(=O)N=C(N)N,"InChI=1S/C8H9N3O/c9-8(10)11-7(12)6-4-2-1-3-5-6/h1-5H,(H4,9,10,11,12)",AJDQRQQNNLZLPM-UHFFFAOYSA-N,C8H9N3O,163.18,163.0745619,0.8,81.5,190,0,2,1,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, (p-chlorophenoxy)-, 2-isopropylhydrazide",003544-35-2,19063,2-(4-chlorophenoxy)-N'-propan-2-ylacetohydrazide,CC(C)NNC(=O)COC1=CC=C(C=C1)Cl,"InChI=1S/C11H15ClN2O2/c1-8(2)13-14-11(15)7-16-10-5-3-9(12)4-6-10/h3-6,8,13H,7H2,1-2H3,(H,14,15)",GGECDTUJZOXAAR-UHFFFAOYSA-N,C11H15ClN2O2,242.7,242.0822054,2,50.4,216,0,2,3,5,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Succinic acid, alpha-monoester with D-threo-(-)-2,2-dichloro-N-(beta-hydroxy-",003544-94-3,656580,"4-[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoic acid",C1=CC(=CC=C1[C@H]([C@@H](COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],"InChI=1S/C15H16Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)/t10-,13-/m1/s1",LIRCDOVJWUGTMW-ZWNOBZJWSA-N,C15H16Cl2N2O8,423.2,422.0283709,1.1,159,546,0,3,8,10,27,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-AMINO-5-SULFO-",003577-63-7,19151,2-amino-5-sulfobenzoic acid,C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)N,"InChI=1S/C7H7NO5S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3H,8H2,(H,9,10)(H,11,12,13)",MJNYPLCGWXFYPD-UHFFFAOYSA-N,C7H7NO5S,217.2,217.0044935,-0.3,126,319,0,3,6,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"ETHANONE, 1-(3,4-DIMETHYLPHENYL)-",003637-01-2,77193,"1-(3,4-dimethylphenyl)ethanone",CC1=C(C=C(C=C1)C(=O)C)C,"InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6H,1-3H3",WPRAXAOJIODQJR-UHFFFAOYSA-N,C10H12O,148.2,148.088815,2.9,17.1,151,0,0,1,1,11,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, N-ETHYL-4-NITRO-",003665-80-3,19318,N-ethyl-4-nitroaniline,CCNC1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C8H10N2O2/c1-2-9-7-3-5-8(6-4-7)10(11)12/h3-6,9H,2H2,1H3",XBNNLAWQCMDISJ-UHFFFAOYSA-N,C8H10N2O2,166.18,166.0742276,2.4,57.9,148,0,1,3,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1,5-DICHLORO-2,4-DINITRO-",003698-83-7,77286,"1,5-dichloro-2,4-dinitrobenzene",C1=C(C(=CC(=C1[N+](=O)[O-])Cl)Cl)[N+](=O)[O-],InChI=1S/C6H2Cl2N2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H,ZPXDNSYFDIHPOJ-UHFFFAOYSA-N,C6H2Cl2N2O4,236.99,235.9391619,2.7,91.6,227,0,0,4,0,14,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 4-(OCTYLOXY)-",003780-50-5,77412,4-octoxyphenol,CCCCCCCCOC1=CC=C(C=C1)O,"InChI=1S/C14H22O2/c1-2-3-4-5-6-7-12-16-14-10-8-13(15)9-11-14/h8-11,15H,2-7,12H2,1H3",HFRUPPHPJRZOCM-UHFFFAOYSA-N,C14H22O2,222.32,222.1619799,5.1,29.5,151,0,1,2,8,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONYL FLUORIDE, 3-AMINO-, HYDROCHLORIDE",003887-48-7,77496,3-aminobenzenesulfonyl fluoride;hydrochloride,C1=CC(=CC(=C1)S(=O)(=O)F)N.Cl,"InChI=1S/C6H6FNO2S.ClH/c7-11(9,10)6-3-1-2-5(8)4-6;/h1-4H,8H2;1H",KTADZFWRDLKHKW-UHFFFAOYSA-N,C6H7ClFNO2S,211.64,210.9870055,,68.5,221,0,2,4,1,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 4-(ACETYLAMINO)-5-CHLORO-2-METHOXY-, METHYL ESTER",004093-31-6,77721,methyl 4-acetamido-5-chloro-2-methoxybenzoate,CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)OC)Cl,"InChI=1S/C11H12ClNO4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,1-3H3,(H,13,14)",OUEXNQRVYGYGIK-UHFFFAOYSA-N,C11H12ClNO4,257.67,257.0454856,1.6,64.6,297,0,1,4,4,17,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"o-Anisamide, 4-amino-5-bromo-N-(2-(diethylamino)ethyl)-",004093-35-0,2446,4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Br,"InChI=1S/C14H22BrN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)",GIYAQDDTCWHPPL-UHFFFAOYSA-N,C14H22BrN3O2,344.25,343.08954,2.8,67.6,300,0,2,4,7,20,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANAMIDE, N-(4-CHLORO-2,5-DIMETHOXYPHENYL)-3-OXO-",004433-79-8,78170,"N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide",CC(=O)CC(=O)NC1=CC(=C(C=C1OC)Cl)OC,"InChI=1S/C12H14ClNO4/c1-7(15)4-12(16)14-9-6-10(17-2)8(13)5-11(9)18-3/h5-6H,4H2,1-3H3,(H,14,16)",MOUVJGIRLPZEES-UHFFFAOYSA-N,C12H14ClNO4,271.69,271.0611356,2.1,64.6,310,0,1,4,5,18,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZALDEHYDE, 2,4,5-TRIMETHOXY-",004460-86-0,20525,"2,4,5-trimethoxybenzaldehyde",COC1=CC(=C(C=C1C=O)OC)OC,"InChI=1S/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H3",IAJBQAYHSQIQRE-UHFFFAOYSA-N,C10H12O4,196.2,196.0735589,1.3,44.8,183,0,0,4,4,14,,"284 °F at 4 mmHg (Sublimes) (NTP, 1992)",0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
.ALPHA.-ACETYLBENZENEACETONITRILE,004468-48-8,20547,3-oxo-2-phenylbutanenitrile,CC(=O)C(C#N)C1=CC=CC=C1,"InChI=1S/C10H9NO/c1-8(12)10(7-11)9-5-3-2-4-6-9/h2-6,10H,1H3",KHNWFTMUBKJWRZ-UHFFFAOYSA-N,C10H9NO,159.18,159.0684139,1.5,40.9,207,0,0,2,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENETHIOL, 2-ETHYL-",004500-58-7,3734338,2-ethylbenzenethiol,CCC1=CC=CC=C1S,"InChI=1S/C8H10S/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3",ABROBCBIIWHVNS-UHFFFAOYSA-N,C8H10S,138.23,138.0503215,3,1,80,0,1,1,1,9,,203.00 to 205.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEMETHANAMINIUM, N,N,N-TRIMETHYL-, IODIDE",004525-46-6,20619,benzyl(trimethyl)azanium iodide,C[N+](C)(C)CC1=CC=CC=C1.[I-],"InChI=1S/C10H16N.HI/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1",LRRJQNMXIDXNIM-UHFFFAOYSA-M,C10H16IN,277.14,277.03275,,0,107,0,0,1,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2,4-DIHYDROXY-3-METHYL-",004707-49-7,78436,"2,4-dihydroxy-3-methylbenzoic acid",CC1=C(C=CC(=C1O)C(=O)O)O,"InChI=1S/C8H8O4/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3,9-10H,1H3,(H,11,12)",KZCSDJKWEYGAIX-UHFFFAOYSA-N,C8H8O4,168.15,168.0422587,1.7,77.8,180,0,3,4,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 2-ETHOXY-1-METHYL-4-(1-METHYLETHYL)-",004732-13-2,527268,2-ethoxy-1-methyl-4-propan-2-ylbenzene,CCOC1=C(C=CC(=C1)C(C)C)C,"InChI=1S/C12H18O/c1-5-13-12-8-11(9(2)3)7-6-10(12)4/h6-9H,5H2,1-4H3",DOTAGKFIHPPPTK-UHFFFAOYSA-N,C12H18O,178.27,178.1357652,4.1,9.2,142,0,0,1,3,13,,235.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,2-BENZENEDIAMINE, N-METHYL-",004760-34-3,78498,"2-N-methylbenzene-1,2-diamine",CNC1=CC=CC=C1N,"InChI=1S/C7H10N2/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,8H2,1H3",RPKCLSMBVQLWIN-UHFFFAOYSA-N,C7H10N2,122.17,122.0843983,1.2,38.1,83,0,2,2,1,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETAMIDE, 2-MERCAPTO-N-PHENYL-",004822-44-0,10382,N-phenyl-2-sulfanylacetamide,C1=CC=C(C=C1)NC(=O)CS,"InChI=1S/C8H9NOS/c10-8(6-11)9-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10)",DLVKRCGYGJZXFK-UHFFFAOYSA-N,C8H9NOS,167.23,167.0404851,1.5,30.1,132,0,2,2,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENEACETIC ACID, 4-ETHOXY-",004919-33-9,78631,2-(4-ethoxyphenyl)acetic acid,CCOC1=CC=C(C=C1)CC(=O)O,"InChI=1S/C10H12O3/c1-2-13-9-5-3-8(4-6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)",ZVVWZNFSMIFGEP-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,1.9,46.5,160,0,1,3,4,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-BUTANONE, 1-(4-BROMOPHENYL)-",004981-64-0,78680,1-(4-bromophenyl)butan-1-one,CCCC(=O)C1=CC=C(C=C1)Br,"InChI=1S/C10H11BrO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3",HOIDKJFWEVIJAT-UHFFFAOYSA-N,C10H11BrO,227.1,225.99933,3.3,17.1,148,0,0,1,3,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANONE, 2-BROMO-1-(4-HYDROXY-3-NITROPHENYL)-",005029-61-8,78731,2-bromo-1-(4-hydroxy-3-nitrophenyl)ethanone,C1=CC(=C(C=C1C(=O)CBr)[N+](=O)[O-])O,"InChI=1S/C8H6BrNO4/c9-4-8(12)5-1-2-7(11)6(3-5)10(13)14/h1-3,11H,4H2",ADFUHIYILOQDHG-UHFFFAOYSA-N,C8H6BrNO4,260.04,258.94802,2.3,83.1,240,0,1,4,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 3,4,5-TRIMETHOXY-2-NITRO-, METHYL ESTER",005081-42-5,78765,"methyl 3,4,5-trimethoxy-2-nitrobenzoate",COC1=C(C(=C(C(=C1)C(=O)OC)[N+](=O)[O-])OC)OC,"InChI=1S/C11H13NO7/c1-16-7-5-6(11(13)19-4)8(12(14)15)10(18-3)9(7)17-2/h5H,1-4H3",HCEIEWYPDCDNNU-UHFFFAOYSA-N,C11H13NO7,271.22,271.0692018,1.5,99.8,329,0,0,7,5,19,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONAMIDE, N-METHYL-",005183-78-8,78858,N-methylbenzenesulfonamide,CNS(=O)(=O)C1=CC=CC=C1,"InChI=1S/C7H9NO2S/c1-8-11(9,10)7-5-3-2-4-6-7/h2-6,8H,1H3",SVDVKEBISAOWJT-UHFFFAOYSA-N,C7H9NO2S,171.22,171.0353997,0.9,54.6,199,0,1,3,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETONITRILE, .ALPHA.-ACETYL-4-CHLORO-",005219-07-8,21280,2-(4-chlorophenyl)-3-oxobutanenitrile,CC(=O)C(C#N)C1=CC=C(C=C1)Cl,"InChI=1S/C10H8ClNO/c1-7(13)10(6-12)8-2-4-9(11)5-3-8/h2-5,10H,1H3",IPBZEJZUAZXNOS-UHFFFAOYSA-N,C10H8ClNO,193.63,193.0294416,2.2,40.9,235,0,0,2,2,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethylamine, 1-methyl-2-(2,6-xylyloxy)-, hydrochloride",005370-01-4,21467,"1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride",CC1=C(C(=CC=C1)C)OCC(C)N.Cl,"InChI=1S/C11H17NO.ClH/c1-8-5-4-6-9(2)11(8)13-7-10(3)12;/h4-6,10H,7,12H2,1-3H3;1H",NFEIBWMZVIVJLQ-UHFFFAOYSA-N,C11H18ClNO,215.72,215.1076919,,35.3,139,0,2,2,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANAMIDE, N-(4-METHOXYPHENYL)-3-OXO-",005437-98-9,21576,N-(4-methoxyphenyl)-3-oxobutanamide,CC(=O)CC(=O)NC1=CC=C(C=C1)OC,"InChI=1S/C11H13NO3/c1-8(13)7-11(14)12-9-3-5-10(15-2)6-4-9/h3-6H,7H2,1-2H3,(H,12,14)",SWAJJKROCOJICG-UHFFFAOYSA-N,C11H13NO3,207.23,207.0895433,1.5,55.4,232,0,1,3,4,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"HYDRAZINECARBOXAMIDE, N-PHENYL-, MONOHYDROCHLORIDE",005441-14-5,79505,1-amino-3-phenylurea;hydrochloride,C1=CC=C(C=C1)NC(=O)NN.Cl,"InChI=1S/C7H9N3O.ClH/c8-10-7(11)9-6-4-2-1-3-5-6;/h1-5H,8H2,(H2,9,10,11);1H",BNXHWDWODIHJEH-UHFFFAOYSA-N,C7H10ClN3O,187.63,187.0512396,,67.2,132,0,4,2,1,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 2-CHLORO-3,5-DIMETHYL-",005538-41-0,79667,"2-chloro-3,5-dimethylphenol",CC1=CC(=C(C(=C1)O)Cl)C,"InChI=1S/C8H9ClO/c1-5-3-6(2)8(9)7(10)4-5/h3-4,10H,1-2H3",ZXPLGLMEXWSLCX-UHFFFAOYSA-N,C8H9ClO,156.61,156.0341926,2.9,20.2,116,0,1,1,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"BENZALDEHYDE, 4-PROPOXY-",005736-85-6,79812,4-propoxybenzaldehyde,CCCOC1=CC=C(C=C1)C=O,"InChI=1S/C10H12O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6,8H,2,7H2,1H3",FGXZWMCBNMMYPL-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,2.1,26.3,126,0,0,2,4,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEPROPANOIC ACID, .BETA.-HYDROXY-, ETHYL ESTER",005764-85-2,99818,ethyl 3-hydroxy-3-phenylpropanoate,CCOC(=O)CC(C1=CC=CC=C1)O,"InChI=1S/C11H14O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3",DVIBDQWVFHDBOP-UHFFFAOYSA-N,C11H14O3,194.23,194.0942943,1.3,46.5,173,0,1,3,5,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENETHIOL, 2,5-DICHLORO-",005858-18-4,79965,"2,5-dichlorobenzenethiol",C1=CC(=C(C=C1Cl)S)Cl,"InChI=1S/C6H4Cl2S/c7-4-1-2-5(8)6(9)3-4/h1-3,9H",QIULLHZMZMGGFH-UHFFFAOYSA-N,C6H4Cl2S,179.07,177.9410767,3.5,1,97,0,1,1,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 4-(DIMETHYLAMINO)-3,5-DIMETHYL-",006120-10-1,22499,"4-(dimethylamino)-3,5-dimethylphenol",CC1=CC(=CC(=C1N(C)C)C)O,"InChI=1S/C10H15NO/c1-7-5-9(12)6-8(2)10(7)11(3)4/h5-6,12H,1-4H3",GZPBVLUEICLBOA-UHFFFAOYSA-N,C10H15NO,165.23,165.1153641,2.4,23.5,135,0,1,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BENZENEDIAMINE, 4-NITRO-, DIHYDROCHLORIDE",006219-77-8,5360140,"4-nitrobenzene-1,2-diamine;dihydrochloride",C1=CC(=C(C=C1[N+](=O)[O-])N)N.Cl.Cl,"InChI=1S/C6H7N3O2.2ClH/c7-5-2-1-4(9(10)11)3-6(5)8;;/h1-3H,7-8H2;2*1H",JMSFOGFLPAGXLG-UHFFFAOYSA-N,C6H9Cl2N3O2,226.06,225.0071819,,97.9,156,0,4,4,0,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZALDEHYDE, 2,4-DIHYDROXY-3-METHYL-",006248-20-0,80395,"2,4-dihydroxy-3-methylbenzaldehyde",CC1=C(C=CC(=C1O)C=O)O,"InChI=1S/C8H8O3/c1-5-7(10)3-2-6(4-9)8(5)11/h2-4,10-11H,1H3",AOPMHYFEQDBXPZ-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,1.6,57.5,146,0,2,3,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, [(2,5-DICHLOROPHENYL)THIO]-",006274-27-7,60049,"2-(2,5-dichlorophenyl)sulfanylacetic acid",C1=CC(=C(C=C1Cl)SCC(=O)O)Cl,"InChI=1S/C8H6Cl2O2S/c9-5-1-2-6(10)7(3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)",DCXXCTCEJFBLPD-UHFFFAOYSA-N,C8H6Cl2O2S,237.1,235.946556,3.3,62.6,189,0,1,3,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1,3,5-TRICHLORO-2,4-DINITRO-",006284-83-9,22696,"1,3,5-trichloro-2,4-dinitrobenzene",C1=C(C(=C(C(=C1Cl)[N+](=O)[O-])Cl)[N+](=O)[O-])Cl,InChI=1S/C6HCl3N2O4/c7-2-1-3(8)6(11(14)15)4(9)5(2)10(12)13/h1H,BPMOJGOPWSCNHJ-UHFFFAOYSA-N,C6HCl3N2O4,271.4,269.90019,3.1,91.6,253,0,0,4,0,15,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENAMINE, 3,4-DIMETHOXY-",006315-89-5,22770,"3,4-dimethoxyaniline",COC1=C(C=C(C=C1)N)OC,"InChI=1S/C8H11NO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,9H2,1-2H3",LGDHZCLREKIGKJ-UHFFFAOYSA-N,C8H11NO2,153.18,153.0789786,1.4,44.5,119,0,1,3,2,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANENITRILE, 3-(PHENYLMETHOXY)-",006328-48-9,80620,3-phenylmethoxypropanenitrile,C1=CC=C(C=C1)COCCC#N,"InChI=1S/C10H11NO/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6H,4,8-9H2",IOFHIWGGQITXMV-UHFFFAOYSA-N,C10H11NO,161.2,161.084064,1.3,33,152,0,0,2,4,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-AMINO-2-CHLOROPHENOL,006358-06-1,80676,5-amino-2-chlorophenol,C1=CC(=C(C=C1N)O)Cl,"InChI=1S/C6H6ClNO/c7-5-2-1-4(8)3-6(5)9/h1-3,9H,8H2",JSCNCRWPXOTDDZ-UHFFFAOYSA-N,C6H6ClNO,143.57,143.0137915,1.8,46.3,99,0,2,2,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 4-CHLORO-2,5-DIMETHOXY-",006358-64-1,22833,"4-chloro-2,5-dimethoxyaniline",COC1=CC(=C(C=C1N)OC)Cl,"InChI=1S/C8H10ClNO2/c1-11-7-4-6(10)8(12-2)3-5(7)9/h3-4H,10H2,1-2H3",YGUFQYGSBVXPMC-UHFFFAOYSA-N,C8H10ClNO2,187.62,187.0400063,1.8,44.5,145,0,1,3,2,12,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"ACETAMIDE, N-(3-AMINO-4-METHYLPHENYL)-",006375-16-2,22865,N-(3-amino-4-methylphenyl)acetamide,CC1=C(C=C(C=C1)NC(=O)C)N,"InChI=1S/C9H12N2O/c1-6-3-4-8(5-9(6)10)11-7(2)12/h3-5H,10H2,1-2H3,(H,11,12)",RBQWGHBZCHFUQU-UHFFFAOYSA-N,C9H12N2O,164.2,164.094963,1.4,55.1,170,0,2,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANAMIDE, N-(2,5-DIMETHOXYPHENYL)-3-OXO-",006375-27-5,80777,"N-(2,5-dimethoxyphenyl)-3-oxobutanamide",CC(=O)CC(=O)NC1=C(C=CC(=C1)OC)OC,"InChI=1S/C12H15NO4/c1-8(14)6-12(15)13-10-7-9(16-2)4-5-11(10)17-3/h4-5,7H,6H2,1-3H3,(H,13,15)",PJFIAKRRJLGWMD-UHFFFAOYSA-N,C12H15NO4,237.25,237.100108,1.7,64.6,280,0,1,4,5,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETAMIDE, N-(3-AMINO-4-METHOXYPHENYL)-",006375-47-9,80779,N-(3-amino-4-methoxyphenyl)acetamide,CC(=O)NC1=CC(=C(C=C1)OC)N,"InChI=1S/C9H12N2O2/c1-6(12)11-7-3-4-9(13-2)8(10)5-7/h3-5H,10H2,1-2H3,(H,11,12)",SJWQCBCAGCEWCV-UHFFFAOYSA-N,C9H12N2O2,180.2,180.0898776,0.5,64.4,184,0,2,3,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, [(4-CHLORO-2-NITROPHENYL)THIO]-",006375-61-7,80780,2-(4-chloro-2-nitrophenyl)sulfanylacetic acid,C1=CC(=C(C=C1Cl)[N+](=O)[O-])SCC(=O)O,"InChI=1S/C8H6ClNO4S/c9-5-1-2-7(15-4-8(11)12)6(3-5)10(13)14/h1-3H,4H2,(H,11,12)",ANONGKPSZGTEJI-UHFFFAOYSA-N,C8H6ClNO4S,247.66,246.9706065,2.5,108,258,0,1,5,3,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 2-METHOXY-1-METHYL-4-(1-METHYLETHYL)-",006379-73-3,80790,2-methoxy-1-methyl-4-propan-2-ylbenzene,CC1=C(C=C(C=C1)C(C)C)OC,"InChI=1S/C11H16O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-8H,1-4H3",YVLHTQPPMZOCOW-UHFFFAOYSA-N,C11H16O,164.24,164.1201151,3.4,9.2,131,0,0,1,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 3-AMINO-5-CHLORO-4-METHYL-",006387-27-5,80806,3-amino-5-chloro-4-methylbenzenesulfonic acid,CC1=C(C=C(C=C1Cl)S(=O)(=O)O)N,"InChI=1S/C7H8ClNO3S/c1-4-6(8)2-5(3-7(4)9)13(10,11)12/h2-3H,9H2,1H3,(H,10,11,12)",RSCRGMCYBCTJGF-UHFFFAOYSA-N,C7H8ClNO3S,221.66,220.991342,1,88.8,274,0,2,4,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CARBAMIC ACID, (4-AMINOPHENYL)-, METHYL ESTER",006465-03-8,80938,methyl N-(4-aminophenyl)carbamate,COC(=O)NC1=CC=C(C=C1)N,"InChI=1S/C8H10N2O2/c1-12-8(11)10-7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)",UFDGMXHPQNDESO-UHFFFAOYSA-N,C8H10N2O2,166.18,166.0742276,1.3,64.4,153,0,2,3,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANEDIOIC ACID, [(4-METHOXYPHENYL)METHYLENE]-, DIETHYL ESTER",006768-23-6,81238,diethyl 2-[(4-methoxyphenyl)methylidene]propanedioate,CCOC(=O)C(=CC1=CC=C(C=C1)OC)C(=O)OCC,"InChI=1S/C15H18O5/c1-4-19-14(16)13(15(17)20-5-2)10-11-6-8-12(18-3)9-7-11/h6-10H,4-5H2,1-3H3",KUBLMWHFTKNBHL-UHFFFAOYSA-N,C15H18O5,278.3,278.1154237,3.3,61.8,333,0,0,5,8,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEACETAMIDE, N-METHYL-",006830-82-6,81274,N-methyl-2-phenylacetamide,CNC(=O)CC1=CC=CC=C1,"InChI=1S/C9H11NO/c1-10-9(11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)",RKEXPBCMGJAOLM-UHFFFAOYSA-N,C9H11NO,149.19,149.084064,1.2,29.1,128,0,1,1,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENAMINE, 3-CHLORO-N,N-DIMETHYL-",006848-13-1,23285,"3-chloro-N,N-dimethylaniline",CN(C)C1=CC(=CC=C1)Cl,"InChI=1S/C8H10ClN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3",CHHCCYVOJBBCIY-UHFFFAOYSA-N,C8H10ClN,155.62,155.050177,2.5,3.2,103,0,0,1,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-PROPANAMINE, N-(PHENYLMETHYLENE)-",006852-56-8,95962,1-phenyl-N-propan-2-ylmethanimine,CC(C)N=CC1=CC=CC=C1,"InChI=1S/C10H13N/c1-9(2)11-8-10-6-4-3-5-7-10/h3-9H,1-2H3",GVDZNWFGNHAZCX-UHFFFAOYSA-N,C10H13N,147.22,147.1047994,2.3,12.4,121,0,0,1,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-BENZENEDICARBOXYLIC ACID, 3-AMINO-, HYDROCHLORIDE",006946-22-1,81375,3-aminophthalic acid;hydrochloride,C1=CC(=C(C(=C1)N)C(=O)O)C(=O)O.Cl,"InChI=1S/C8H7NO4.ClH/c9-5-3-1-2-4(7(10)11)6(5)8(12)13;/h1-3H,9H2,(H,10,11)(H,12,13);1H",ZBZAVEORKXFUQB-UHFFFAOYSA-N,C8H8ClNO4,217.6,217.0141854,,101,228,0,4,5,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONAMIDE, 2-CHLORO-",006961-82-6,81410,2-chlorobenzenesulfonamide,C1=CC=C(C(=C1)S(=O)(=O)N)Cl,"InChI=1S/C6H6ClNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)",JCCBZCMSYUSCFM-UHFFFAOYSA-N,C6H6ClNO2S,191.64,190.9807773,0.7,68.5,221,0,1,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-(2,4-DICHLOROPHENYL)-",006975-29-7,81459,"N-(2,4-dichlorophenyl)acetamide",CC(=O)NC1=C(C=C(C=C1)Cl)Cl,"InChI=1S/C8H7Cl2NO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,1H3,(H,11,12)",GZSGTFDLLISMMA-UHFFFAOYSA-N,C8H7Cl2NO,204.05,202.9904692,2.2,29.1,174,0,1,1,1,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENETHIOL, 2-METHOXY-",007217-59-6,23642,2-methoxybenzenethiol,COC1=CC=CC=C1S,"InChI=1S/C7H8OS/c1-8-6-4-2-3-5-7(6)9/h2-5,9H,1H3",DSCJETUEDFKYGN-UHFFFAOYSA-N,C7H8OS,140.2,140.0295861,2.3,10.2,85,0,1,2,1,9,,99.00 °C. @ 8.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 3-AMINO-2,5-DICHLORO-, METHYL ESTER",007286-84-2,23714,"methyl 3-amino-2,5-dichlorobenzoate",COC(=O)C1=C(C(=CC(=C1)Cl)N)Cl,"InChI=1S/C8H7Cl2NO2/c1-13-8(12)5-2-4(9)3-6(11)7(5)10/h2-3H,11H2,1H3",DTSSCQVCVYZGSI-UHFFFAOYSA-N,C8H7Cl2NO2,220.05,218.9853839,2.3,52.3,201,0,1,3,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 4-CHLORO-, ETHYL ESTER",007335-27-5,81785,ethyl 4-chlorobenzoate,CCOC(=O)C1=CC=C(C=C1)Cl,"InChI=1S/C9H9ClO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3",RWBYCMPOFNRISR-UHFFFAOYSA-N,C9H9ClO2,184.62,184.0291072,3.5,26.3,151,0,0,2,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 4-METHYL-3-NITRO-, METHYL ESTER",007356-11-8,81816,methyl 4-methyl-3-nitrobenzoate,CC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-],"InChI=1S/C9H9NO4/c1-6-3-4-7(9(11)14-2)5-8(6)10(12)13/h3-5H,1-2H3",YFPBHPCMYFCRKS-UHFFFAOYSA-N,C9H9NO4,195.17,195.0531578,2.3,72.1,235,0,0,4,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-PENTANONE, 4-METHYL-4-PHENYL-",007403-42-1,81898,4-methyl-4-phenylpentan-2-one,CC(=O)CC(C)(C)C1=CC=CC=C1,"InChI=1S/C12H16O/c1-10(13)9-12(2,3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3",PFDVPCSDZXZDMF-UHFFFAOYSA-N,C12H16O,176.25,176.1201151,2.7,17.1,176,0,0,1,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, PHENOXY-, 2-PROPENYL ESTER",007493-74-5,24117,prop-2-enyl 2-phenoxyacetate,C=CCOC(=O)COC1=CC=CC=C1,"InChI=1S/C11H12O3/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h2-7H,1,8-9H2",VUFZVGQUAVDKMC-UHFFFAOYSA-N,C11H12O3,192.21,192.0786442,2.1,35.5,183,0,0,3,6,14,,100.00 to 102.00 °C. @ 1.00 mm Hg,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"BENZOIC ACID, 3,5-BIS(ACETYLAMINO)-",007743-39-7,49351,"3,5-diacetamidobenzoic acid",CC(=O)NC1=CC(=CC(=C1)C(=O)O)NC(=O)C,"InChI=1S/C11H12N2O4/c1-6(14)12-9-3-8(11(16)17)4-10(5-9)13-7(2)15/h3-5H,1-2H3,(H,12,14)(H,13,15)(H,16,17)",GEDTXYBZWNEYAB-UHFFFAOYSA-N,C11H12N2O4,236.22,236.0797069,-0.2,95.5,305,0,3,4,3,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 2-AMINO-, BUTYL ESTER",007756-96-9,24433,butyl 2-aminobenzoate,CCCCOC(=O)C1=CC=CC=C1N,"InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7H,2-3,8,12H2,1H3",HUIYGGQINIVDNW-UHFFFAOYSA-N,C11H15NO2,193.24,193.1102787,3.5,52.3,182,0,1,3,5,14,,"360 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEETHANOL, .ALPHA.-(2-METHYLPROPYL)-",007779-78-4,62661,4-methyl-1-phenylpentan-2-ol,CC(C)CC(CC1=CC=CC=C1)O,"InChI=1S/C12H18O/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3",IUADYGVMSDKSMB-UHFFFAOYSA-N,C12H18O,178.27,178.1357652,3.5,20.2,125,0,1,1,4,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEETHANOL, 4-(1-METHYLETHYL)-",010099-57-7,82349,2-(4-propan-2-ylphenyl)ethanol,CC(C)C1=CC=C(C=C1)CCO,"InChI=1S/C11H16O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3-6,9,12H,7-8H2,1-2H3",MUGORNQRYUKUGN-UHFFFAOYSA-N,C11H16O,164.24,164.1201151,2.6,20.2,112,0,1,1,3,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 4-METHYL-, 2-(AMINOCARBONYL)HYDRAZIDE",010396-10-8,82602,[(4-methylphenyl)sulfonylamino]urea,CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)N,"InChI=1S/C8H11N3O3S/c1-6-2-4-7(5-3-6)15(13,14)11-10-8(9)12/h2-5,11H,1H3,(H3,9,10,12)",VRFNYSYURHAPFL-UHFFFAOYSA-N,C8H11N3O3S,229.26,229.0521124,0.2,110,315,0,3,4,3,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"Butanoic acid, 4-(4-chloro-2-methylphenoxy)-, ethyl ester",010443-70-6,25286,ethyl 4-(4-chloro-2-methylphenoxy)butanoate,CCOC(=O)CCCOC1=C(C=C(C=C1)Cl)C,"InChI=1S/C13H17ClO3/c1-3-16-13(15)5-4-8-17-12-7-6-11(14)9-10(12)2/h6-7,9H,3-5,8H2,1-2H3",XNKARWLGLZGMGX-UHFFFAOYSA-N,C13H17ClO3,256.72,256.0866221,4.3,35.5,233,0,0,3,7,17,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 4-AMINO-2,6-DIMETHYL-, HYDROCHLORIDE",010486-48-3,82667,"4-amino-2,6-dimethylphenol;hydrochloride",CC1=CC(=CC(=C1O)C)N.Cl,"InChI=1S/C8H11NO.ClH/c1-5-3-7(9)4-6(2)8(5)10;/h3-4,10H,9H2,1-2H3;1H",XHBKRIQIHBKJPE-UHFFFAOYSA-N,C8H12ClNO,173.64,173.0607417,,46.3,104,0,3,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEPROPANOIC ACID, 2,5-DIMETHOXY-",010538-49-5,66343,"3-(2,5-dimethoxyphenyl)propanoic acid",COC1=CC(=C(C=C1)OC)CCC(=O)O,"InChI=1S/C11H14O4/c1-14-9-4-5-10(15-2)8(7-9)3-6-11(12)13/h4-5,7H,3,6H2,1-2H3,(H,12,13)",JENQUCZZZGYHRW-UHFFFAOYSA-N,C11H14O4,210.23,210.0892089,1.7,55.8,205,0,1,4,5,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(4-OCTYLPHENYL)-",010541-56-7,66344,1-(4-octylphenyl)ethanone,CCCCCCCCC1=CC=C(C=C1)C(=O)C,"InChI=1S/C16H24O/c1-3-4-5-6-7-8-9-15-10-12-16(13-11-15)14(2)17/h10-13H,3-9H2,1-2H3",GARQDIVXKVBJFP-UHFFFAOYSA-N,C16H24O,232.36,232.1827154,5.4,17.1,202,0,0,1,8,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"p-Toluenesulfonamide, alpha-amino-, monoacetate",013009-99-9,25590,acetic acid;4-(aminomethyl)benzenesulfonamide,CC(=O)O.C1=CC(=CC=C1CN)S(=O)(=O)N,"InChI=1S/C7H10N2O2S.C2H4O2/c8-5-6-1-3-7(4-2-6)12(9,10)11;1-2(3)4/h1-4H,5,8H2,(H2,9,10,11);1H3,(H,3,4)",UILOTUUZKGTYFQ-UHFFFAOYSA-N,C9H14N2O4S,246.29,246.0674281,,132,255,0,3,6,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"UREA, [3-(TRIFLUOROMETHYL)PHENYL]-",013114-87-9,25712,[3-(trifluoromethyl)phenyl]urea,C1=CC(=CC(=C1)NC(=O)N)C(F)(F)F,"InChI=1S/C8H7F3N2O/c9-8(10,11)5-2-1-3-6(4-5)13-7(12)14/h1-4H,(H3,12,13,14)",FQEIBEOBXKJAMZ-UHFFFAOYSA-N,C8H7F3N2O,204.15,204.0510473,2.3,55.1,217,0,2,4,1,14,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 2-METHOXY-1-METHYL-4-NITRO-",013120-77-9,83159,2-methoxy-1-methyl-4-nitrobenzene,CC1=C(C=C(C=C1)[N+](=O)[O-])OC,"InChI=1S/C8H9NO3/c1-6-3-4-7(9(10)11)5-8(6)12-2/h3-5H,1-2H3",WVQGZNRUEVFXKR-UHFFFAOYSA-N,C8H9NO3,167.16,167.0582431,2.6,55.1,166,0,0,3,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 3-CYANO-, METHYL ESTER",013531-48-1,83554,methyl 3-cyanobenzoate,COC(=O)C1=CC=CC(=C1)C#N,"InChI=1S/C9H7NO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,1H3",XPBHWSMZTSSEJE-UHFFFAOYSA-N,C9H7NO2,161.16,161.0476785,1.8,50.1,216,0,0,3,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 4-AMINO-, ACETATE (ESTER)",013871-68-6,83783,(4-aminophenyl) acetate,CC(=O)OC1=CC=C(C=C1)N,"InChI=1S/C8H9NO2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,9H2,1H3",QVJWBJWRAPJXNM-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,0.4,52.3,139,0,1,3,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-CHLORO-4-(DICHLOROMETHYL)-",013940-94-8,84110,1-chloro-4-(dichloromethyl)benzene,C1=CC(=CC=C1C(Cl)Cl)Cl,"InChI=1S/C7H5Cl3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,7H",VWHNJDGWDOQJRM-UHFFFAOYSA-N,C7H5Cl3,195.5,193.945683,4.1,0,95,0,0,0,1,10,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEETHANAMINE, N,N-DIBUTYL-, HYDROCHLORIDE",014180-18-8,84243,N-butyl-N-(2-phenylethyl)butan-1-amine;hydrochloride,CCCCN(CCCC)CCC1=CC=CC=C1.Cl,"InChI=1S/C16H27N.ClH/c1-3-5-13-17(14-6-4-2)15-12-16-10-8-7-9-11-16;/h7-11H,3-6,12-15H2,1-2H3;1H",OAUFZDJROJSXGE-UHFFFAOYSA-N,C16H28ClN,269.9,269.1910276,,3.2,153,0,1,1,9,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"BENZENESULFONAMIDE, 4-HYDROXY-N,N-DIMETHYL-",015020-57-2,84760,"4-hydroxy-N,N-dimethylbenzenesulfonamide",CN(C)S(=O)(=O)C1=CC=C(C=C1)O,"InChI=1S/C8H11NO3S/c1-9(2)13(11,12)8-5-3-7(10)4-6-8/h3-6,10H,1-2H3",JYBMFOQKJJJCPY-UHFFFAOYSA-N,C8H11NO3S,201.25,201.0459644,1,66,247,0,1,4,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEETHANOL, 2-NITRO-",015121-84-3,27054,2-(2-nitrophenyl)ethanol,C1=CC=C(C(=C1)CCO)[N+](=O)[O-],"InChI=1S/C8H9NO3/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4,10H,5-6H2",SLRIOXRBAPBGEI-UHFFFAOYSA-N,C8H9NO3,167.16,167.0582431,1.5,66.1,155,0,1,3,2,12,"greater than 230 °F (NTP, 1992)","513 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZAMIDE, N-CYANO-",015150-25-1,84805,N-cyanobenzamide,C1=CC=C(C=C1)C(=O)NC#N,"InChI=1S/C8H6N2O/c9-6-10-8(11)7-4-2-1-3-5-7/h1-5H,(H,10,11)",DBFAKALHTSOYSG-UHFFFAOYSA-N,C8H6N2O,146.15,146.0480128,1.2,52.9,186,0,1,2,1,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, [(2,5-DIMETHYLPHENYL)THIO]-",015310-87-9,84869,"2-(2,5-dimethylphenyl)sulfanylacetic acid",CC1=CC(=C(C=C1)C)SCC(=O)O,"InChI=1S/C10H12O2S/c1-7-3-4-8(2)9(5-7)13-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)",PTOYIPIESDHKSH-UHFFFAOYSA-N,C10H12O2S,196.27,196.0558008,2.8,62.6,182,0,1,3,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-(2-CHLOROPHENOXY)-",015480-00-9,84933,2-(2-chlorophenoxy)ethanol,C1=CC=C(C(=C1)OCCO)Cl,"InChI=1S/C8H9ClO2/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4,10H,5-6H2",FDQGMCQSIVZGHW-UHFFFAOYSA-N,C8H9ClO2,172.61,172.0291072,2,29.5,108,0,1,2,3,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-(4-HYDROXY-3-METHYLPHENYL)-",016375-90-9,85384,N-(4-hydroxy-3-methylphenyl)acetamide,CC1=C(C=CC(=C1)NC(=O)C)O,"InChI=1S/C9H11NO2/c1-6-5-8(10-7(2)11)3-4-9(6)12/h3-5,12H,1-2H3,(H,10,11)",AVIDZQVUWISHES-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,0.8,49.3,170,0,2,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANAMIDE, N-(2,4-DIMETHOXYPHENYL)-3-OXO-",016715-79-0,85564,"N-(2,4-dimethoxyphenyl)-3-oxobutanamide",CC(=O)CC(=O)NC1=C(C=C(C=C1)OC)OC,"InChI=1S/C12H15NO4/c1-8(14)6-12(15)13-10-5-4-9(16-2)7-11(10)17-3/h4-5,7H,6H2,1-3H3,(H,13,15)",IQWUCASGTZCNKK-UHFFFAOYSA-N,C12H15NO4,237.25,237.100108,1.7,64.6,280,0,1,4,5,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-[4-(1-OXOPROPYL)PHENYL]-",016960-49-9,85655,N-(4-propanoylphenyl)acetamide,CCC(=O)C1=CC=C(C=C1)NC(=O)C,"InChI=1S/C11H13NO2/c1-3-11(14)9-4-6-10(7-5-9)12-8(2)13/h4-7H,3H2,1-2H3,(H,12,13)",JGCDYYAXNUYBHB-UHFFFAOYSA-N,C11H13NO2,191.23,191.0946287,1.7,46.2,217,0,1,2,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZAMIDE, 2-CYANO-",017174-98-0,72883,2-cyanobenzamide,C1=CC=C(C(=C1)C#N)C(=O)N,"InChI=1S/C8H6N2O/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,(H2,10,11)",STQPCKPKAIRSEL-UHFFFAOYSA-N,C8H6N2O,146.15,146.0480128,-0.2,66.9,203,0,1,2,1,11,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZONITRILE, 2-AMINO-3-BROMO-5-NITRO-",017601-94-4,87173,2-amino-3-bromo-5-nitrobenzonitrile,C1=C(C=C(C(=C1C#N)N)Br)[N+](=O)[O-],"InChI=1S/C7H4BrN3O2/c8-6-2-5(11(12)13)1-4(3-9)7(6)10/h1-2H,10H2",MUHLVSZIVTURCZ-UHFFFAOYSA-N,C7H4BrN3O2,242.03,240.94869,2,95.6,256,0,1,4,0,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-(4-CHLOROPHENYL)-2-CYANO-",017722-17-7,87269,N-(4-chlorophenyl)-2-cyanoacetamide,C1=CC(=CC=C1NC(=O)CC#N)Cl,"InChI=1S/C9H7ClN2O/c10-7-1-3-8(4-2-7)12-9(13)5-6-11/h1-4H,5H2,(H,12,13)",FLLVVAHFEBGZKD-UHFFFAOYSA-N,C9H7ClN2O,194.62,194.0246905,2.6,52.9,225,0,1,2,2,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-[4-(1,1-DIMETHYLETHYL)PHENYL]-.OMEGA.-HYDROX",018249-20-2,12841,2-(4-tert-butylphenoxy)ethanol,CC(C)(C)C1=CC=C(C=C1)OCCO,"InChI=1S/C12H18O2/c1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h4-7,13H,8-9H2,1-3H3",KGPFHDDLZCYWAO-UHFFFAOYSA-N,C12H18O2,194.27,194.1306798,2.8,29.5,152,0,1,2,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEMETHANAMINIUM, N-DODECYL-N,N-BIS(2-HYDROXYETHYL)-, CHLORIDE",019379-90-9,29563,benzyl-dodecyl-bis(2-hydroxyethyl)azanium chloride,CCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1.[Cl-],"InChI=1S/C23H42NO2.ClH/c1-2-3-4-5-6-7-8-9-10-14-17-24(18-20-25,19-21-26)22-23-15-12-11-13-16-23;/h11-13,15-16,25-26H,2-10,14,17-22H2,1H3;1H/q+1;/p-1",UUSQFLGKGQEVCM-UHFFFAOYSA-M,C23H42ClNO2,400,399.2904073,,40.5,297,0,2,3,17,27,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-BIS(1,1-DIMETHYLETHYL)-2-HYDROXYBENZOIC ACID",019715-19-6,88208,"3,5-ditert-butyl-2-hydroxybenzoic acid",CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(=O)O,"InChI=1S/C15H22O3/c1-14(2,3)9-7-10(13(17)18)12(16)11(8-9)15(4,5)6/h7-8,16H,1-6H3,(H,17,18)",ZWQBZEFLFSFEOS-UHFFFAOYSA-N,C15H22O3,250.33,250.1568946,6.6,57.5,309,0,2,3,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANAMIDE, N-(4-CHLORO-2-METHYLPHENYL)-3-OXO-",020139-55-3,258549,N-(4-chloro-2-methylphenyl)-3-oxobutanamide,CC1=C(C=CC(=C1)Cl)NC(=O)CC(=O)C,"InChI=1S/C11H12ClNO2/c1-7-5-9(12)3-4-10(7)13-11(15)6-8(2)14/h3-5H,6H2,1-2H3,(H,13,15)",ODFRAIZRJMUPCP-UHFFFAOYSA-N,C11H12ClNO2,225.67,225.0556563,2.4,46.2,255,0,1,2,3,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEPROPANOIC ACID, 3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXY-",020170-32-5,88389,"3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid",CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)O,"InChI=1S/C17H26O3/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6/h9-10,20H,7-8H2,1-6H3,(H,18,19)",WPMYUUITDBHVQZ-UHFFFAOYSA-N,C17H26O3,278.4,278.1881947,4.7,57.5,311,0,2,3,5,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-TRIAZENE, 1-METHYL-3-(4-METHYLPHENYL)-",021124-13-0,30492,4-methyl-N-(methyldiazenyl)aniline,CC1=CC=C(C=C1)NN=NC,"InChI=1S/C8H11N3/c1-7-3-5-8(6-4-7)10-11-9-2/h3-6H,1-2H3,(H,9,10)",DNGJVDGPCGXBFF-UHFFFAOYSA-N,C8H11N3,149.19,149.0952974,2.7,36.8,125,0,1,3,2,11,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, 4-(METHYLSULFONYL)-2-NITRO-",021731-56-6,89024,4-methylsulfonyl-2-nitroaniline,CS(=O)(=O)C1=CC(=C(C=C1)N)[N+](=O)[O-],"InChI=1S/C7H8N2O4S/c1-14(12,13)5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3",NDZFWKZHVAUUTN-UHFFFAOYSA-N,C7H8N2O4S,216.22,216.0204779,0.4,114,316,0,1,5,1,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, (4-FORMYLPHENOXY)-",022042-71-3,89177,2-(4-formylphenoxy)acetic acid,C1=CC(=CC=C1C=O)OCC(=O)O,"InChI=1S/C9H8O4/c10-5-7-1-3-8(4-2-7)13-6-9(11)12/h1-5H,6H2,(H,11,12)",OYNIIKHNXNPSAG-UHFFFAOYSA-N,C9H8O4,180.16,180.0422587,0.8,63.6,182,0,1,4,4,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-[(4-METHYLPHENYL)SULFONYL]-",022381-54-0,89682,2-(4-methylphenyl)sulfonylethanol,CC1=CC=C(C=C1)S(=O)(=O)CCO,"InChI=1S/C9H12O3S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5,10H,6-7H2,1H3",QJFIXBNLKARINT-UHFFFAOYSA-N,C9H12O3S,200.26,200.0507154,1,62.8,232,0,1,3,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 2-HYDROXY-5-METHYL-, METHYL ESTER",022717-57-3,89802,methyl 2-hydroxy-5-methylbenzoate,CC1=CC(=C(C=C1)O)C(=O)OC,"InChI=1S/C9H10O3/c1-6-3-4-8(10)7(5-6)9(11)12-2/h3-5,10H,1-2H3",JQYUQKRFSSSGJM-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,3.1,46.5,167,0,1,3,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETAMIDE, N-(2,4-DIMETHOXYPHENYL)-",023042-75-3,89972,"N-(2,4-dimethoxyphenyl)acetamide",CC(=O)NC1=C(C=C(C=C1)OC)OC,"InChI=1S/C10H13NO3/c1-7(12)11-9-5-4-8(13-2)6-10(9)14-3/h4-6H,1-3H3,(H,11,12)",PUOPSKXVSJHFJF-UHFFFAOYSA-N,C10H13NO3,195.21,195.0895433,1.3,47.6,196,0,1,3,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, 3,4,5-TRIMETHOXY-",024313-88-0,32285,"3,4,5-trimethoxyaniline",COC1=CC(=CC(=C1OC)OC)N,"InChI=1S/C9H13NO3/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5H,10H2,1-3H3",XEFRNCLPPFDWAC-UHFFFAOYSA-N,C9H13NO3,183.2,183.0895433,0.8,53.7,140,0,1,4,3,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BENZENEDICARBOXYLIC ACID, MONODECYL ESTER",024539-60-4,90534,2-decoxycarbonylbenzoic acid,CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)O,"InChI=1S/C18H26O4/c1-2-3-4-5-6-7-8-11-14-22-18(21)16-13-10-9-12-15(16)17(19)20/h9-10,12-13H,2-8,11,14H2,1H3,(H,19,20)",FEFCILUKYGHITK-UHFFFAOYSA-N,C18H26O4,306.4,306.1831093,6.4,63.6,327,0,1,4,12,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-BUTENOIC ACID, 3-METHYL-, 4-METHYLPHENYL ESTER",024700-20-7,90591,(4-methylphenyl) 3-methylbut-2-enoate,CC1=CC=C(C=C1)OC(=O)C=C(C)C,"InChI=1S/C12H14O2/c1-9(2)8-12(13)14-11-6-4-10(3)5-7-11/h4-8H,1-3H3",WXLMUDDKYMGUFP-UHFFFAOYSA-N,C12H14O2,190.24,190.0993797,3.6,26.3,218,0,0,2,3,14,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONAMIDE, 4-HYDROXY-3-NITRO-",024855-58-1,90631,4-hydroxy-3-nitrobenzenesulfonamide,C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])O,"InChI=1S/C6H6N2O5S/c7-14(12,13)4-1-2-6(9)5(3-4)8(10)11/h1-3,9H,(H2,7,12,13)",SXSOYEBKXCZKDH-UHFFFAOYSA-N,C6H6N2O5S,218.19,217.9997425,0.4,135,316,0,2,6,1,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONAMIDE, 3-AMINO-4-HYDROXY-N,N-DIMETHYL-",024962-75-2,90667,"3-amino-4-hydroxy-N,N-dimethylbenzenesulfonamide",CN(C)S(=O)(=O)C1=CC(=C(C=C1)O)N,"InChI=1S/C8H12N2O3S/c1-10(2)14(12,13)6-3-4-8(11)7(9)5-6/h3-5,11H,9H2,1-2H3",BLKRLPPJSAMUNN-UHFFFAOYSA-N,C8H12N2O3S,216.26,216.0568634,0.3,92,283,0,2,5,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENECARBOTHIOAMIDE, 2-AMINO-5-NITRO-",025026-97-5,3034350,2-amino-5-nitrobenzenecarbothioamide,C1=CC(=C(C=C1[N+](=O)[O-])C(=S)N)N,"InChI=1S/C7H7N3O2S/c8-6-2-1-4(10(11)12)3-5(6)7(9)13/h1-3H,8H2,(H2,9,13)",FHYFXVGYNCGBAT-UHFFFAOYSA-N,C7H7N3O2S,197.22,197.0258977,1.6,130,228,0,2,4,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, 2,6-DICHLORO-, OXIME",025185-95-9,91328,"N-[(2,6-dichlorophenyl)methylidene]hydroxylamine",C1=CC(=C(C(=C1)Cl)C=NO)Cl,"InChI=1S/C7H5Cl2NO/c8-6-2-1-3-7(9)5(6)4-10-11/h1-4,11H",YBSXDWIAUZOFFV-UHFFFAOYSA-N,C7H5Cl2NO,190.02,188.9748192,2.9,32.6,141,0,1,2,1,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, N-(1-METHYLETHYL)-4-NITRO-",025186-43-0,32833,4-nitro-N-propan-2-ylaniline,CC(C)NC1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C9H12N2O2/c1-7(2)10-8-3-5-9(6-4-8)11(12)13/h3-7,10H,1-2H3",VTSUWHFLMJLYKN-UHFFFAOYSA-N,C9H12N2O2,180.2,180.0898776,2.8,57.9,169,0,1,3,2,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphorothioic acid, S-benzyl O,O-diisopropyl ester",026087-47-8,33294,di(propan-2-yloxy)phosphorylsulfanylmethylbenzene,CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1,"InChI=1S/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3",FCOAHACKGGIURQ-UHFFFAOYSA-N,C13H21O3PS,288.34,288.0949027,3.2,60.8,261,0,0,4,7,18,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"GUANIDINE, MONOBENZOATE",026739-54-8,56843764,benzoic acid;guanidine,C1=CC=C(C=C1)C(=O)O.C(=N)(N)N,"InChI=1S/C7H6O2.CH5N3/c8-7(9)6-4-2-1-3-5-6;2-1(3)4/h1-5H,(H,8,9);(H5,2,3,4)",DNOSZYUZVCJLMM-UHFFFAOYSA-N,C8H11N3O2,181.19,181.0851266,,113,130,0,4,3,1,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEDIAZONIUM, 2-METHOXY-5-NITRO-",027165-17-9,110486,2-methoxy-5-nitrobenzenediazonium,COC1=C(C=C(C=C1)[N+](=O)[O-])[N+]#N,"InChI=1S/C7H6N3O3/c1-13-7-3-2-5(10(11)12)4-6(7)9-8/h2-4H,1H3/q+1",BUADGGPZZZMHBR-UHFFFAOYSA-N,C7H6N3O3+,180.14,180.0409161,2.8,83.2,241,1,0,4,1,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"23-(NONYLPHENOXY)-3,6,9,12,15,18,21-HEPTAOXATRICOSAN-1-OL",027177-05-5,72384,2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol,CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1S/C31H56O9/c1-2-3-4-5-6-7-8-9-30-10-12-31(13-11-30)40-29-28-39-27-26-38-25-24-37-23-22-36-21-20-35-19-18-34-17-16-33-15-14-32/h10-13,32H,2-9,14-29H2,1H3",XXPRRHYTDCWGRP-UHFFFAOYSA-N,C31H56O9,572.8,572.3924334,4.8,94.1,476,0,1,9,32,40,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEDIAZONIUM, 5-[(DIETHYLAMINO)SULFONYL]-2-METHOXY-",027580-14-9,168711,5-(diethylsulfamoyl)-2-methoxybenzenediazonium,CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)[N+]#N,"InChI=1S/C11H16N3O3S/c1-4-14(5-2)18(15,16)9-6-7-11(17-3)10(8-9)13-12/h6-8H,4-5H2,1-3H3/q+1",QPRGGJBGRUMFBU-UHFFFAOYSA-N,C11H16N3O3S+,270.33,270.0912376,3,83.1,405,1,0,5,5,18,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
(1-METHYLHEPTYL)PHENOL (MIXED ISOMERS),027985-70-2,102693,4-octan-2-ylphenol,CCCCCCC(C)C1=CC=C(C=C1)O,"InChI=1S/C14H22O/c1-3-4-5-6-7-12(2)13-8-10-14(15)11-9-13/h8-12,15H,3-7H2,1-2H3",DJQPEGRPSMOYLI-UHFFFAOYSA-N,C14H22O,206.32,206.1670653,5.2,20.2,147,0,1,1,6,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(NONYLPHENOXY)ETHANOL,027986-36-3,171092,2-(2-nonylphenoxy)ethanol,CCCCCCCCCC1=CC=CC=C1OCCO,"InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-11-16-12-9-10-13-17(16)19-15-14-18/h9-10,12-13,18H,2-8,11,14-15H2,1H3",IEORSVTYLWZQJQ-UHFFFAOYSA-N,C17H28O2,264.4,264.2089301,5.8,29.5,194,0,1,2,11,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1-NITRO-4-(1,1,2,2-TETRAFLUOROETHOXY)-",028202-32-6,119893,"1-nitro-4-(1,1,2,2-tetrafluoroethoxy)benzene",C1=CC(=CC=C1[N+](=O)[O-])OC(C(F)F)(F)F,"InChI=1S/C8H5F4NO3/c9-7(10)8(11,12)16-6-3-1-5(2-4-6)13(14)15/h1-4,7H",VNSOCOWFQDIYTN-UHFFFAOYSA-N,C8H5F4NO3,239.12,239.0205557,3.3,55.1,248,0,0,7,3,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-(CARBOXYMETHYL)-.OMEGA.-(4-NONYLPHENOXY)-",028212-44-4,92034898,2-[2-(4-nonylphenyl)ethoxy]acetic acid,CCCCCCCCCC1=CC=C(C=C1)CCOCC(=O)O,"InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-17-10-12-18(13-11-17)14-15-22-16-19(20)21/h10-13H,2-9,14-16H2,1H3,(H,20,21)",WLOFTFPPFVMPHP-UHFFFAOYSA-N,C19H30O3,306.4,306.2194948,6.2,46.5,270,0,1,3,13,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZALDEHYDE, (DIMETHYLAMINO)-",028602-27-9,34289,2-(dimethylamino)benzaldehyde,CN(C)C1=CC=CC=C1C=O,"InChI=1S/C9H11NO/c1-10(2)9-6-4-3-5-8(9)7-11/h3-7H,1-2H3",DGPBVJWCIDNDPN-UHFFFAOYSA-N,C9H11NO,149.19,149.084064,1.5,20.3,134,0,0,2,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, 4-PROPYL-",028785-06-0,120047,4-propylbenzaldehyde,CCCC1=CC=C(C=C1)C=O,"InChI=1S/C10H12O/c1-2-3-9-4-6-10(8-11)7-5-9/h4-8H,2-3H2,1H3",MAUCRURSQMOFGV-UHFFFAOYSA-N,C10H12O,148.2,148.088815,3,17.1,112,0,0,1,3,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, N-ETHYL-2-NITRO-4-(TRIFLUOROMETHYL)-",030377-62-9,121682,N-ethyl-2-nitro-4-(trifluoromethyl)aniline,CCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-],"InChI=1S/C9H9F3N2O2/c1-2-13-7-4-3-6(9(10,11)12)5-8(7)14(15)16/h3-5,13H,2H2,1H3",XGYBRXYMSSZKPY-UHFFFAOYSA-N,C9H9F3N2O2,234.17,234.061612,3,57.9,252,0,1,6,2,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZAMIDE, 2-AMINO-N-(1-METHYLETHYL)-",030391-89-0,94411,2-amino-N-propan-2-ylbenzamide,CC(C)NC(=O)C1=CC=CC=C1N,"InChI=1S/C10H14N2O/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h3-7H,11H2,1-2H3,(H,12,13)",FWQYJOPJMIEKHZ-UHFFFAOYSA-N,C10H14N2O,178.23,178.1106131,1.4,55.1,180,0,2,2,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETIC ACID, .ALPHA.-AMINO-4-HYDROXY-, (S)-",032462-30-9,36143,(2S)-2-amino-2-(4-hydroxyphenyl)acetic acid,C1=CC(=CC=C1[C@@H](C(=O)O)N)O,"InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1",LJCWONGJFPCTTL-ZETCQYMHSA-N,C8H9NO3,167.16,167.0582431,-2.1,83.6,164,0,3,4,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETIC ACID, 4-(1,1-DIMETHYLETHYL)-",032857-63-9,118343,2-(4-tert-butylphenyl)acetic acid,CC(C)(C)C1=CC=C(C=C1)CC(=O)O,"InChI=1S/C12H16O2/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)",RUAYXHSDAMWEDR-UHFFFAOYSA-N,C12H16O2,192.25,192.1150297,3.2,37.3,195,0,1,2,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 3,5-DIAMINO-4-CHLORO-, 2-METHYLPROPYL ESTER",032961-44-7,118368,"2-methylpropyl 3,5-diamino-4-chlorobenzoate",CC(C)COC(=O)C1=CC(=C(C(=C1)N)Cl)N,"InChI=1S/C11H15ClN2O2/c1-6(2)5-16-11(15)7-3-8(13)10(12)9(14)4-7/h3-4,6H,5,13-14H2,1-2H3",KHUIRIRTZCOEMK-UHFFFAOYSA-N,C11H15ClN2O2,242.7,242.0822054,2.8,78.3,236,0,2,4,4,16,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 4-(1,1-DIMETHYLETHYL)-N-(1-METHYLPROPYL)-2,6-DINITRO-",033629-47-9,36565,"N-butan-2-yl-4-tert-butyl-2,6-dinitroaniline",CCC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-],"InChI=1S/C14H21N3O4/c1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h7-9,15H,6H2,1-5H3",SPNQRCTZKIBOAX-UHFFFAOYSA-N,C14H21N3O4,295.33,295.1532062,5.1,104,359,0,1,5,4,21,97 °F (36 °C) open cup,134-146 °C at 0.5 mm Hg,1,0,0,1,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0
"1,3-BENZENEDIAMINE, 5-CHLORO-",033786-89-9,73335,"5-chlorobenzene-1,3-diamine",C1=C(C=C(C=C1N)Cl)N,"InChI=1S/C6H7ClN2/c7-4-1-5(8)3-6(9)2-4/h1-3H,8-9H2",VZNUCJOYPXKLTA-UHFFFAOYSA-N,C6H7ClN2,142.58,142.0297759,1.6,52,87,0,2,2,0,9,,,0,1,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0
"ETHANONE, 1-(4-HYDROXYPHENYL)-, OXIME",034523-34-7,96522,4-(N-hydroxy-C-methylcarbonimidoyl)phenol,CC(=NO)C1=CC=C(C=C1)O,"InChI=1S/C8H9NO2/c1-6(9-11)7-2-4-8(10)5-3-7/h2-5,10-11H,1H3",BVZSQTRWIYKUSF-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,1.5,52.8,148,0,2,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENETHIOL, 3,5-DIMETHYL-",038360-81-5,117548,"3,5-dimethylbenzenethiol",CC1=CC(=CC(=C1)S)C,"InChI=1S/C8H10S/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3",CESBAYSBPMVAEI-UHFFFAOYSA-N,C8H10S,138.23,138.0503215,2.9,1,80,0,1,1,0,9,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 4-(PENTYLOXY)-",039905-50-5,94500,4-pentoxyaniline,CCCCCOC1=CC=C(C=C1)N,"InChI=1S/C11H17NO/c1-2-3-4-9-13-11-7-5-10(12)6-8-11/h5-8H,2-4,9,12H2,1H3",QZLNSNIHXKQIIS-UHFFFAOYSA-N,C11H17NO,179.26,179.1310142,3.2,35.3,119,0,1,2,5,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 4-(HEXYLOXY)-",039905-57-2,38360,4-hexoxyaniline,CCCCCCOC1=CC=C(C=C1)N,"InChI=1S/C12H19NO/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9H,2-5,10,13H2,1H3",DJRKHTCUXRGYEU-UHFFFAOYSA-N,C12H19NO,193.28,193.1466642,3.7,35.3,130,0,1,2,6,14,,,1,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 4-AMINO-2,5-DICHLORO-, MONOSODIUM SALT",041295-98-1,23688979,"sodium 4-amino-2,5-dichlorobenzenesulfonate",C1=C(C(=CC(=C1Cl)S(=O)(=O)[O-])Cl)N.[Na+],"InChI=1S/C6H5Cl2NO3S.Na/c7-3-2-6(13(10,11)12)4(8)1-5(3)9;/h1-2H,9H2,(H,10,11,12);/q;+1/p-1",MOJYHTGMAPQZMC-UHFFFAOYSA-M,C6H4Cl2NNaO3S,264.06,262.9186638,,91.6,281,0,1,4,1,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-Tyrosine, 3-hydroxy-alpha-methyl-, hydrate (2:3)",041372-08-1,18530292,"(2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid;hydrate",C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)N.O,"InChI=1S/C10H13NO4.H2O/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6;/h2-4,12-13H,5,11H2,1H3,(H,14,15);1H2/t10-;/m0./s1",XDJUBZFLFDODNF-PPHPATTJSA-N,C10H15NO5,229.23,229.0950226,,105,246,0,5,6,3,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2-AMINO-4,6-DIMETHYL-",041458-65-5,100530,"2-amino-4,6-dimethylphenol",CC1=CC(=C(C(=C1)N)O)C,"InChI=1S/C8H11NO/c1-5-3-6(2)8(10)7(9)4-5/h3-4,10H,9H2,1-2H3",GISWNAMJAQRJPC-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,1.6,46.3,116,0,2,2,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1-(2,2-DIMETHOXYETHYL)-4-METHYL-",042866-91-1,162533,"1-(2,2-dimethoxyethyl)-4-methylbenzene",CC1=CC=C(C=C1)CC(OC)OC,"InChI=1S/C11H16O2/c1-9-4-6-10(7-5-9)8-11(12-2)13-3/h4-7,11H,8H2,1-3H3",BQTOTVBOOGPLPR-UHFFFAOYSA-N,C11H16O2,180.24,180.1150297,2.4,18.5,124,0,0,2,4,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, 2-CHLORO-N-(2,6-DIMETHYLPHENYL)-N-(2-METHOXYETHYL)-",050563-36-5,39722,"2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide",CC1=C(C(=CC=C1)C)N(CCOC)C(=O)CCl,"InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3",SCCDDNKJYDZXMM-UHFFFAOYSA-N,C13H18ClNO2,255.74,255.1026065,2.3,29.5,238,0,0,2,5,17,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZOIC ACID, 5-(ACETYLAMINO)-2-AMINO-",050670-83-2,170890,5-acetamido-2-aminobenzoic acid,CC(=O)NC1=CC(=C(C=C1)N)C(=O)O,"InChI=1S/C9H10N2O3/c1-5(12)11-6-2-3-8(10)7(4-6)9(13)14/h2-4H,10H2,1H3,(H,11,12)(H,13,14)",GSOHXJQXAKNJES-UHFFFAOYSA-N,C9H10N2O3,194.19,194.0691422,1.3,92.4,242,0,3,4,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-METHYLPSEUDOEPHEDRINE,051018-28-1,7059596,"(1S,2S)-2-(dimethylamino)-1-phenylpropan-1-ol",C[C@@H]([C@H](C1=CC=CC=C1)O)N(C)C,"InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3/t9-,11+/m0/s1",FMCGSUUBYTWNDP-GXSJLCMTSA-N,C11H17NO,179.26,179.1310142,1.7,23.5,141,0,1,2,3,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Benzenedimethanol, alpha(sup 1)-(((1,1-dimethylethyl)amino)methyl)-4-hydro",051022-70-9,9884233,4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;sulfuric acid,CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.OS(=O)(=O)O,"InChI=1S/C13H21NO3.H2O4S/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;1-5(2,3)4/h4-6,12,14-17H,7-8H2,1-3H3;(H2,1,2,3,4)",OVICLFZZVQVVFT-UHFFFAOYSA-N,C13H23NO7S,337.39,337.1195233,,156,309,0,6,8,5,22,,,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,1,0,0
"BENZOIC ACID, 5-CHLORO-2-NITRO-, METHYL ESTER",051282-49-6,171018,methyl 5-chloro-2-nitrobenzoate,COC(=O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-],"InChI=1S/C8H6ClNO4/c1-14-8(11)6-4-5(9)2-3-7(6)10(12)13/h2-4H,1H3",JGBJHRKCUKTQOE-UHFFFAOYSA-N,C8H6ClNO4,215.59,214.9985354,2.5,72.1,240,0,0,4,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-[3-(DIPROPYLAMINO)PHENYL]-",051732-34-4,103944,N-[3-(dipropylamino)phenyl]acetamide,CCCN(CCC)C1=CC=CC(=C1)NC(=O)C,"InChI=1S/C14H22N2O/c1-4-9-16(10-5-2)14-8-6-7-13(11-14)15-12(3)17/h6-8,11H,4-5,9-10H2,1-3H3,(H,15,17)",XGXZHDLFQSBZQU-UHFFFAOYSA-N,C14H22N2O,234.34,234.1732133,3.1,32.3,224,0,1,2,6,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZALDEHYDE, 3-(CHLOROMETHYL)-4-METHOXY-",052577-09-0,104237,3-(chloromethyl)-4-methoxybenzaldehyde,COC1=C(C=C(C=C1)C=O)CCl,"InChI=1S/C9H9ClO2/c1-12-9-3-2-7(6-11)4-8(9)5-10/h2-4,6H,5H2,1H3",LNKDOOILNUKDMI-UHFFFAOYSA-N,C9H9ClO2,184.62,184.0291072,2.3,26.3,149,0,0,2,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANAMIDE, N-(5-CHLORO-2-METHOXYPHENYL)-3-OXO-",052793-11-0,98791,N-(5-chloro-2-methoxyphenyl)-3-oxobutanamide,CC(=O)CC(=O)NC1=C(C=CC(=C1)Cl)OC,"InChI=1S/C11H12ClNO3/c1-7(14)5-11(15)13-9-6-8(12)3-4-10(9)16-2/h3-4,6H,5H2,1-2H3,(H,13,15)",HSGGSKCDDPPKMD-UHFFFAOYSA-N,C11H12ClNO3,241.67,241.0505709,2.1,55.4,270,0,1,3,4,16,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"POLY(OXY-1,4-BUTANEDIYL), .ALPHA.-PHENYL-.OMEGA.-HYDROXY-",053051-65-3,219683,4-phenoxybutan-1-ol,C1=CC=C(C=C1)OCCCCO,"InChI=1S/C10H14O2/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2",OYQUCYCSSADEIC-UHFFFAOYSA-N,C10H14O2,166.22,166.0993797,2.3,29.5,98,0,1,2,5,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PENTENENITRILE, 3-METHYL-5-PHENYL-, (E)-",053243-60-0,1585264,(E)-3-methyl-5-phenylpent-2-enenitrile,C/C(=C\C#N)/CCC1=CC=CC=C1,"InChI=1S/C12H13N/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3/b11-9+",QELCXXZZKSRBET-PKNBQFBNSA-N,C12H13N,171.24,171.1047994,3.3,23.8,213,0,0,1,3,13,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Phthalic acid, mono-sec-butyl ester",053623-59-9,97701,2-butan-2-yloxycarbonylbenzoic acid,CCC(C)OC(=O)C1=CC=CC=C1C(=O)O,"InChI=1S/C12H14O4/c1-3-8(2)16-12(15)10-7-5-4-6-9(10)11(13)14/h4-8H,3H2,1-2H3,(H,13,14)",USZVTXIEQADBGH-UHFFFAOYSA-N,C12H14O4,222.24,222.0892089,2.2,63.6,262,0,1,4,5,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, NONYL-, SODIUM SALT",054181-64-5,23688997,sodium 2-nonylphenolate,CCCCCCCCCC1=CC=CC=C1[O-].[Na+],"InChI=1S/C15H24O.Na/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h9-10,12-13,16H,2-8,11H2,1H3;/q;+1/p-1",LGORLCOUTMVEAC-UHFFFAOYSA-M,C15H23NaO,242.33,242.1646596,,23.1,161,0,0,1,8,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"BENZENEPENTANAL, .BETA.-METHYL-",055066-49-4,108313,3-methyl-5-phenylpentanal,CC(CCC1=CC=CC=C1)CC=O,"InChI=1S/C12H16O/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3",DFJMIMVMOIFPQG-UHFFFAOYSA-N,C12H16O,176.25,176.1201151,3,17.1,136,0,0,1,5,13,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"BUTANOIC ACID, 3-METHYL-, 4-METHYLPHENYL ESTER",055066-56-3,62092,(4-methylphenyl) 3-methylbutanoate,CC1=CC=C(C=C1)OC(=O)CC(C)C,"InChI=1S/C12H16O2/c1-9(2)8-12(13)14-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3",MVDPTWHTUYDLTL-UHFFFAOYSA-N,C12H16O2,192.25,192.1150297,3.5,26.3,179,0,0,2,4,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-BENZENEDICARBOXYLIC ACID, 4-CHLORO-, MONOSODIUM SALT",056047-23-5,23687624,sodium 2-carboxy-4-chlorobenzoate,C1=CC(=C(C=C1Cl)C(=O)O)C(=O)[O-].[Na+],"InChI=1S/C8H5ClO4.Na/c9-4-1-2-5(7(10)11)6(3-4)8(12)13;/h1-3H,(H,10,11)(H,12,13);/q;+1/p-1",MWZMHSGEQHVWED-UHFFFAOYSA-M,C8H4ClNaO4,222.56,221.9695806,,77.4,233,0,1,4,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEPROPANOL, 4-(1,1-DIMETHYLETHYL)-.BETA.-METHYL-",056107-04-1,92013,3-(4-tert-butylphenyl)-2-methylpropan-1-ol,CC(CC1=CC=C(C=C1)C(C)(C)C)CO,"InChI=1S/C14H22O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,11,15H,9-10H2,1-4H3",SJMDLCVBSNYMMJ-UHFFFAOYSA-N,C14H22O,206.32,206.1670653,4,20.2,172,0,1,1,4,15,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,1,0,0
"ETHANONE, 1-(2,4-DIHYDROXYPHENYL)-2-METHOXY-",057280-75-8,93620,"1-(2,4-dihydroxyphenyl)-2-methoxyethanone",COCC(=O)C1=C(C=C(C=C1)O)O,"InChI=1S/C9H10O4/c1-13-5-9(12)7-3-2-6(10)4-8(7)11/h2-4,10-11H,5H2,1H3",LEBDSTPTUMQDQU-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,1.5,66.8,180,0,2,4,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-SULFO-.OMEGA.-(4-OCTYLPHENOXY)-, SODIUM SALT",058853-83-1,57351223,disodium;octylperoxybenzene;sulfate,CCCCCCCCOOC1=CC=CC=C1.[O-]S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C14H22O2.2Na.H2O4S/c1-2-3-4-5-6-10-13-15-16-14-11-8-7-9-12-14;;;1-5(2,3)4/h7-9,11-12H,2-6,10,13H2,1H3;;;(H2,1,2,3,4)/q;2*+1;/p-2",JZLQGAKMLRJEBP-UHFFFAOYSA-L,C14H22Na2O6S,364.37,364.0932482,,107,204,0,0,6,9,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEMETHANOL, 4-(1-METHYLETHYL)-, ACETATE",059230-57-8,100990,(4-propan-2-ylphenyl)methyl acetate,CC(C)C1=CC=C(C=C1)COC(=O)C,"InChI=1S/C12H16O2/c1-9(2)12-6-4-11(5-7-12)8-14-10(3)13/h4-7,9H,8H2,1-3H3",QBCRVYRADYXNOW-UHFFFAOYSA-N,C12H16O2,192.25,192.1150297,3.2,26.3,179,0,0,2,4,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"OCTANOIC ACID, 4-METHYLPHENYL ESTER",059558-23-5,43046,(4-methylphenyl) octanoate,CCCCCCCC(=O)OC1=CC=C(C=C1)C,"InChI=1S/C15H22O2/c1-3-4-5-6-7-8-15(16)17-14-11-9-13(2)10-12-14/h9-12H,3-8H2,1-2H3",ALRYNTSLFYRKGF-UHFFFAOYSA-N,C15H22O2,234.33,234.1619799,5,26.3,205,0,0,2,8,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 3-(AMINOSULFONYL)-, METHYL ESTER",059777-67-2,108836,methyl 3-sulfamoylbenzoate,COC(=O)C1=CC(=CC=C1)S(=O)(=O)N,"InChI=1S/C8H9NO4S/c1-13-8(10)6-3-2-4-7(5-6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)",BUYUOBGADRKVAP-UHFFFAOYSA-N,C8H9NO4S,215.23,215.0252289,0.3,94.8,306,0,1,5,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2-AMINO-4-NITRO-, MONOSODIUM SALT",061702-43-0,5485279,sodium 2-amino-4-nitrophenolate,C1=CC(=C(C=C1[N+](=O)[O-])N)[O-].[Na+],"InChI=1S/C6H6N2O3.Na/c7-5-3-4(8(10)11)1-2-6(5)9;/h1-3,9H,7H2;/q;+1/p-1",QROXVHUAKDVYQE-UHFFFAOYSA-M,C6H5N2NaO3,176.11,176.0197863,,94.9,156,0,1,4,0,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 2,5-DIHYDROXY-4-(1-METHYLHEPTADECYL)-, MONOSODIUM SALT",063059-59-6,23668807,"sodium 2,5-dihydroxy-4-octadecan-2-ylbenzenesulfonate",CCCCCCCCCCCCCCCCC(C)C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.[Na+],"InChI=1S/C24H42O5S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(2)21-18-23(26)24(19-22(21)25)30(27,28)29;/h18-20,25-26H,3-17H2,1-2H3,(H,27,28,29);/q;+1/p-1",XMEZMPZIYXDDJI-UHFFFAOYSA-M,C24H41NaO5S,464.6,464.2572399,,106,523,0,2,5,17,31,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"ETHANONE, 1-(2,4,5-TRIETHOXYPHENYL)-",063213-29-6,113124,"1-(2,4,5-triethoxyphenyl)ethanone",CCOC1=CC(=C(C=C1C(=O)C)OCC)OCC,"InChI=1S/C14H20O4/c1-5-16-12-9-14(18-7-3)13(17-6-2)8-11(12)10(4)15/h8-9H,5-7H2,1-4H3",PXBWCOGDYXMWMC-UHFFFAOYSA-N,C14H20O4,252.31,252.1361591,2.6,44.8,254,0,0,4,7,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANOL, 2-[2-[2-[2-(NONYLPHENOXY)ETHOXY]ETHOXY]ETHOXY]-, HYDROGEN SULFATE, AM",063351-73-5,3017408,azanium 2-[2-[2-[2-(2-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethyl sulfate,CCCCCCCCCC1=CC=CC=C1OCCOCCOCCOCCOS(=O)(=O)[O-].[NH4+],"InChI=1S/C23H40O8S.H3N/c1-2-3-4-5-6-7-8-11-22-12-9-10-13-23(22)30-20-18-28-16-14-27-15-17-29-19-21-31-32(24,25)26;/h9-10,12-13H,2-8,11,14-21H2,1H3,(H,24,25,26);1H3",UQUJKVCCSZABMY-UHFFFAOYSA-N,C23H43NO8S,493.7,493.2709385,,113,495,0,1,8,21,33,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOIC ACID, (2-METHYLPROPYLIDENE)HYDRAZIDE",063494-84-8,112687,N-(2-methylpropylideneamino)benzamide,CC(C)C=NNC(=O)C1=CC=CC=C1,"InChI=1S/C11H14N2O/c1-9(2)8-12-13-11(14)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,13,14)",ISSKOELQNRHIIL-UHFFFAOYSA-N,C11H14N2O,190.24,190.1106131,1.9,41.5,205,0,1,2,3,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,6,9,12,15,18-HEXAOXAEICOSAN-1-OL, 20-(DINONYLPHENOXY)-, DIHYDROGEN PHOSPHATE",066172-78-9,105314,"2-[2-[2-[2-[2-[2-[2-[2,6-di(nonyl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate",CCCCCCCCCC1=C(C(=CC=C1)CCCCCCCCC)OCCOCCOCCOCCOCCOCCOCCOP(=O)(O)O,"InChI=1S/C38H71O11P/c1-3-5-7-9-11-13-15-18-36-20-17-21-37(19-16-14-12-10-8-6-4-2)38(36)48-34-32-46-30-28-44-26-24-42-22-23-43-25-27-45-29-31-47-33-35-49-50(39,40)41/h17,20-21H,3-16,18-19,22-35H2,1-2H3,(H2,39,40,41)",YXRORYCCMLOKDX-UHFFFAOYSA-N,C38H71O11P,734.9,734.4734001,8.4,131,716,0,2,11,39,50,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANOL, 2(2,4-DIAMINOPHENOXY)-, DIHYDROCHLORIDE",066422-95-5,22321000,"2-(2,4-diaminophenoxy)ethanol;hydrochloride",C1=CC(=C(C=C1N)N)OCCO.Cl,"InChI=1S/C8H12N2O2.ClH/c9-6-1-2-8(7(10)5-6)12-4-3-11;/h1-2,5,11H,3-4,9-10H2;1H",PBVFDMZFBPZIMC-UHFFFAOYSA-N,C8H13ClN2O2,204.65,204.0665554,,81.5,132,0,4,4,3,13,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"BENZOIC ACID, 4-(DIMETHYLAMINO)-, 2-BUTOXYETHYL ESTER",067362-76-9,105420,2-butoxyethyl 4-(dimethylamino)benzoate,CCCCOCCOC(=O)C1=CC=C(C=C1)N(C)C,"InChI=1S/C15H23NO3/c1-4-5-10-18-11-12-19-15(17)13-6-8-14(9-7-13)16(2)3/h6-9H,4-5,10-12H2,1-3H3",PAAVDLDRAZEFGW-UHFFFAOYSA-N,C15H23NO3,265.35,265.1677936,3,38.8,248,0,0,4,9,19,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1,4-DICHLORO-2,5-DIETHOXY-",067828-63-1,105746,"1,4-dichloro-2,5-diethoxybenzene",CCOC1=CC(=C(C=C1Cl)OCC)Cl,"InChI=1S/C10H12Cl2O2/c1-3-13-9-5-8(12)10(14-4-2)6-7(9)11/h5-6H,3-4H2,1-2H3",FPPRAMDVWJLFCI-UHFFFAOYSA-N,C10H12Cl2O2,235.1,234.021435,3.9,18.5,148,0,0,2,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-(CARBOXYMETHYL)-.OMEGA.-(4-ISOOCTYLPHENOXY)-",068015-73-6,23674203,sodium 2-[2-[4-(6-methylheptyl)phenoxy]ethoxy]acetate,CC(C)CCCCCC1=CC=C(C=C1)OCCOCC(=O)[O-].[Na+],"InChI=1S/C18H28O4.Na/c1-15(2)6-4-3-5-7-16-8-10-17(11-9-16)22-13-12-21-14-18(19)20;/h8-11,15H,3-7,12-14H2,1-2H3,(H,19,20);/q;+1/p-1",JIXQWHSJXDOHQV-UHFFFAOYSA-M,C18H27NaO4,330.4,330.1807036,,58.6,289,0,0,4,12,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-BENZENEDIAMINE, 4-ETHOXY-, SULFATE (1:1)",068015-98-5,50020,"4-ethoxybenzene-1,3-diamine;sulfuric acid",CCOC1=C(C=C(C=C1)N)N.OS(=O)(=O)O,"InChI=1S/C8H12N2O.H2O4S/c1-2-11-8-4-3-6(9)5-7(8)10;1-5(2,3)4/h3-5H,2,9-10H2,1H3;(H2,1,2,3,4)",WRYXZLYZWDZVKS-UHFFFAOYSA-N,C8H14N2O5S,250.27,250.0623427,,144,200,0,4,7,2,16,,,0,0,0,1,0,1,1,1,0,0,1,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, MONO(4-NITROPHENYL) ESTER, COMPD. WITH 2-AMINO-2-(HYDROXYMETH",068189-42-4,109721,"bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(4-nitrophenyl) dihydrogen phosphate",C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)O.C(C(CO)(CO)N)O.C(C(CO)(CO)N)O,"InChI=1S/C6H6NO6P.2C4H11NO3/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;2*5-4(1-6,2-7)3-8/h1-4H,(H2,10,11,12);2*6-8H,1-3,5H2",XXAXKCWOTRABOW-UHFFFAOYSA-N,C14H28N3O12P,461.36,461.1410603,,286,304,0,10,14,8,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1,3-DICHLORO-5-(1-METHYLETHENYL)-",068575-36-0,110604,"1,3-dichloro-5-prop-1-en-2-ylbenzene",CC(=C)C1=CC(=CC(=C1)Cl)Cl,"InChI=1S/C9H8Cl2/c1-6(2)7-3-8(10)5-9(11)4-7/h3-5H,1H2,2H3",CSXMJJOTTRDXHY-UHFFFAOYSA-N,C9H8Cl2,187.06,186.0003056,4.6,0,144,0,0,0,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEPROPANOL, 4-HYDROXY-.ALPHA.-METHYL-",069617-84-1,97790,4-(3-hydroxybutyl)phenol,CC(CCC1=CC=C(C=C1)O)O,"InChI=1S/C10H14O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-8,11-12H,2-3H2,1H3",SFUCGABQOMYVJW-UHFFFAOYSA-N,C10H14O2,166.22,166.0993797,1.9,40.5,117,0,2,2,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANOIC ACID, 3-[[5-(ACETYLAMINO)-2-METHOXYPHENYL]AMINO]-, ETHYL ESTER",071519-94-3,172818,ethyl 3-(5-acetamido-2-methoxyanilino)butanoate,CCOC(=O)CC(C)NC1=C(C=CC(=C1)NC(=O)C)OC,"InChI=1S/C15H22N2O4/c1-5-21-15(19)8-10(2)16-13-9-12(17-11(3)18)6-7-14(13)20-4/h6-7,9-10,16H,5,8H2,1-4H3,(H,17,18)",RSQNACZIAAOUOS-UHFFFAOYSA-N,C15H22N2O4,294.35,294.1579572,2.2,76.7,349,0,2,5,8,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 3-[3-(TRIMETHOXYSILYL)PROPOXY]-",071550-66-8,2756526,3-(3-trimethoxysilylpropoxy)aniline,CO[Si](CCCOC1=CC=CC(=C1)N)(OC)OC,"InChI=1S/C12H21NO4Si/c1-14-18(15-2,16-3)9-5-8-17-12-7-4-6-11(13)10-12/h4,6-7,10H,5,8-9,13H2,1-3H3",HUPGCAGBHBJUJC-UHFFFAOYSA-N,C12H21NO4Si,271.38,271.1239847,,62.9,218,0,1,5,8,18,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-HEPTANONE, 3-(PHENYLMETHYLENE)-",071820-49-0,6027769,(3E)-3-benzylideneheptan-4-one,CCCC(=O)/C(=C/C1=CC=CC=C1)/CC,"InChI=1S/C14H18O/c1-3-8-14(15)13(4-2)11-12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3/b13-11+",YOFZPPBYHUNSNX-ACCUITESSA-N,C14H18O,202.29,202.1357652,3.7,17.1,221,0,0,1,5,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEACETONITRILE, 2-(1,1-DIMETHYLETHYL)-",072269-54-6,3085785,2-(2-tert-butylphenyl)acetonitrile,CC(C)(C)C1=CC=CC=C1CC#N,"InChI=1S/C12H15N/c1-12(2,3)11-7-5-4-6-10(11)8-9-13/h4-7H,8H2,1-3H3",QCOBYVFHJPONNS-UHFFFAOYSA-N,C12H15N,173.25,173.1204495,3.2,23.8,203,0,0,1,2,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MCPP METHYL ESTER,002786-19-8,141055,methyl 2-(4-chloro-2-methylphenoxy)propanoate,CC1=C(C=CC(=C1)Cl)OC(C)C(=O)OC,"InChI=1S/C11H13ClO3/c1-7-6-9(12)4-5-10(7)15-8(2)11(13)14-3/h4-6,8H,1-3H3",YWGAULPFWIQKRB-UHFFFAOYSA-N,C11H13ClO3,228.67,228.055322,3.5,35.5,220,0,0,3,4,15,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
P-AMINOPHENYLTRIMETHOXYSILANE,033976-43-1,118583,4-trimethoxysilylaniline,CO[Si](C1=CC=C(C=C1)N)(OC)OC,"InChI=1S/C9H15NO3Si/c1-11-14(12-2,13-3)9-6-4-8(10)5-7-9/h4-7H,10H2,1-3H3",CNODSORTHKVDEM-UHFFFAOYSA-N,C9H15NO3Si,213.31,213.0821199,,53.7,159,0,1,4,4,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
EMBUTRAMIDE,015687-14-6,27453,N-[2-ethyl-2-(3-methoxyphenyl)butyl]-4-hydroxybutanamide,CCC(CC)(CNC(=O)CCCO)C1=CC(=CC=C1)OC,"InChI=1S/C17H27NO3/c1-4-17(5-2,13-18-16(20)10-7-11-19)14-8-6-9-15(12-14)21-3/h6,8-9,12,19H,4-5,7,10-11,13H2,1-3H3,(H,18,20)",LMBMDLOSPKIWAP-UHFFFAOYSA-N,C17H27NO3,293.4,293.1990937,2.7,58.6,302,0,2,3,9,21,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1
TAPENTADOL,175591-23-8,9838022,"3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol",CC[C@@H](C1=CC(=CC=C1)O)[C@@H](C)CN(C)C,"InChI=1S/C14H23NO/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12/h6-9,11,14,16H,5,10H2,1-4H3/t11-,14+/m0/s1",KWTWDQCKEHXFFR-SMDDNHRTSA-N,C14H23NO,221.34,221.1779644,3.5,23.5,193,0,1,2,5,16,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"2,5-DIMETHOXY-4-ETHYLPHENETHYLAMINE",071539-34-9,24729233,"2-(4-ethyl-2,5-dimethoxyphenyl)ethanamine",CCC1=CC(=C(C=C1OC)CCN)OC,"InChI=1S/C12H19NO2/c1-4-9-7-12(15-3)10(5-6-13)8-11(9)14-2/h7-8H,4-6,13H2,1-3H3",VDRGNAMREYBIHA-UHFFFAOYSA-N,C12H19NO2,209.28,209.1415788,2.4,44.5,175,0,1,3,5,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,5-DIMETHOXY-4-IODOPHENETHYLAMINE",069587-11-7,10267191,"2-(4-iodo-2,5-dimethoxyphenyl)ethanamine",COC1=CC(=C(C=C1CCN)OC)I,"InChI=1S/C10H14INO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3",PQHQBRJAAZQXHL-UHFFFAOYSA-N,C10H14INO2,307.13,307.00693,1.8,44.5,168,0,1,3,4,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,5-DIMETHOXY-4-(ETHYLTHIO)PHENETHYLAMINE",207740-24-7,12074193,"2-(4-ethylsulfanyl-2,5-dimethoxyphenyl)ethanamine",CCSC1=C(C=C(C(=C1)OC)CCN)OC,"InChI=1S/C12H19NO2S/c1-4-16-12-8-10(14-2)9(5-6-13)7-11(12)15-3/h7-8H,4-6,13H2,1-3H3",HCWQGDLBIKOJPM-UHFFFAOYSA-N,C12H19NO2S,241.35,241.11365,2.1,69.8,192,0,1,4,6,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
N-METHYLEPHEDRINE HYDROCHLORIDE,038455-90-2,198190,"(1R,2S)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride",C[C@@H]([C@@H](C1=CC=CC=C1)O)N(C)C.Cl,"InChI=1S/C11H17NO.ClH/c1-9(12(2)3)11(13)10-7-5-4-6-8-10;/h4-9,11,13H,1-3H3;1H/t9-,11-;/m0./s1",NTCYWJCEOILKNG-ROLPUNSJSA-N,C11H18ClNO,215.72,215.1076919,,23.5,141,0,2,2,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
ALPHA-(METHYL-D3)-4-(2-METHYLPROPYL) BENZENEACETIC ACID,121662-14-4,12225947,"3,3,3-trideuterio-2-[4-(2-methylpropyl)phenyl]propanoic acid",[2H]C([2H])([2H])C(C1=CC=C(C=C1)CC(C)C)C(=O)O,"InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i3D3",HEFNNWSXXWATRW-HPRDVNIFSA-N,C13H18O2,209.3,209.1495101,3.5,37.3,203,0,1,2,4,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-FLUORO-6-NITROPHENOL,001526-17-6,73710,2-fluoro-6-nitrophenol,C1=CC(=C(C(=C1)F)O)[N+](=O)[O-],"InChI=1S/C6H4FNO3/c7-4-2-1-3-5(6(4)9)8(10)11/h1-3,9H",HIGRXCJEFUYRNW-UHFFFAOYSA-N,C6H4FNO3,157.1,157.0175212,1.6,66.1,158,0,1,4,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DIMETHOXY-4-CHLOROAMPHETAMINE",123431-31-2,542036,"1-(4-chloro-2,5-dimethoxyphenyl)propan-2-amine",CC(CC1=CC(=C(C=C1OC)Cl)OC)N,"InChI=1S/C11H16ClNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3",ACRITBNCBMTINK-UHFFFAOYSA-N,C11H16ClNO2,229.7,229.0869564,2.5,44.5,191,0,1,3,4,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PHENYLGLYOXAL HYDRATE,001075-06-5,99611,"2,2-dihydroxy-1-phenylethanone",C1=CC=C(C=C1)C(=O)C(O)O,"InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,8,10-11H",NBIBDIKAOBCFJN-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,0.5,57.5,136,0,2,3,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, UNDECYL-",050854-94-9,38222,4-undecylbenzenesulfonic acid,CCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O,"InChI=1S/C17H28O3S/c1-2-3-4-5-6-7-8-9-10-11-16-12-14-17(15-13-16)21(18,19)20/h12-15H,2-11H2,1H3,(H,18,19,20)",UCDCOJNNUVYFKJ-UHFFFAOYSA-N,C17H28O3S,312.5,312.1759159,6.4,62.8,338,0,1,3,11,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"2,4,6-TRIFLUORONITROBENZENE",,67567,"1,3,5-trifluoro-2-nitrobenzene",C1=C(C=C(C(=C1F)[N+](=O)[O-])F)F,InChI=1S/C6H2F3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H,PWRFDGYYJWQIAB-UHFFFAOYSA-N,C6H2F3NO2,177.08,177.0037628,2.1,45.8,172,0,0,5,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-ISOCYANATO-1,3-BIS(1-METHYLETHYL)BENZENE",028178-42-9,92259,"2-isocyanato-1,3-di(propan-2-yl)benzene",CC(C)C1=C(C(=CC=C1)C(C)C)N=C=O,"InChI=1S/C13H17NO/c1-9(2)11-6-5-7-12(10(3)4)13(11)14-8-15/h5-7,9-10H,1-4H3",FEUFNKALUGDEMQ-UHFFFAOYSA-N,C13H17NO,203.28,203.1310142,5,29.4,225,0,0,2,3,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"BENZENEMETHANAMINE, 4-CHLORO-",000104-86-9,66036,(4-chlorophenyl)methanamine,C1=CC(=CC=C1CN)Cl,"InChI=1S/C7H8ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2",YMVFJGSXZNNUDW-UHFFFAOYSA-N,C7H8ClN,141.6,141.034527,1.7,26,77,0,1,1,1,9,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANENITRILE, 3-(METHYLPHENYLAMINO)-",000094-34-8,66748,3-(N-methylanilino)propanenitrile,CN(CCC#N)C1=CC=CC=C1,"InChI=1S/C10H12N2/c1-12(9-5-8-11)10-6-3-2-4-7-10/h2-4,6-7H,5,9H2,1H3",IXXLKTZOCSRXEM-UHFFFAOYSA-N,C10H12N2,160.22,160.1000484,1.7,27,162,0,0,2,3,12,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1,2-DICHLORO-3-METHOXY-",001984-59-4,16126,"1,2-dichloro-3-methoxybenzene",COC1=C(C(=CC=C1)Cl)Cl,"InChI=1S/C7H6Cl2O/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3",HFEASCCDHUVYKU-UHFFFAOYSA-N,C7H6Cl2O,177.02,175.9795702,2.9,9.2,108,0,0,1,1,10,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4,5-TRICHLOROPHENOL",000609-19-8,11859,"3,4,5-trichlorophenol",C1=C(C=C(C(=C1Cl)Cl)Cl)O,"InChI=1S/C6H3Cl3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H",GBNHEBQXJVDXSW-UHFFFAOYSA-N,C6H3Cl3O,197.4,195.924948,4,20.2,108,0,1,1,0,10,,"520 to 531 °F at 746 mmHg (NTP, 1992)",1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
2-METHYL-6-ETHYLANILINE,024549-06-2,32485,2-ethyl-6-methylaniline,CCC1=CC=CC(=C1N)C,"InChI=1S/C9H13N/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3,10H2,1-2H3",JJVKJJNCIILLRP-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,2.4,26,101,0,1,1,1,10,"215 °F (USCG, 1999)","447.8 °F at 760 mmHg (USCG, 1999)",0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-CHLORO-4-METHYLANILINE,000615-65-6,12007,2-chloro-4-methylaniline,CC1=CC(=C(C=C1)N)Cl,"InChI=1S/C7H8ClN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3",XGYLSRFSXKAYCR-UHFFFAOYSA-N,C7H8ClN,141.6,141.034527,1.9,26,94,0,1,1,0,9,,219 °C @ 732 MM HG,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"N,N-DIMETHYL-3-NITROANILINE",000619-31-8,69269,"N,N-dimethyl-3-nitroaniline",CN(C)C1=CC(=CC=C1)[N+](=O)[O-],"InChI=1S/C8H10N2O2/c1-9(2)7-4-3-5-8(6-7)10(11)12/h3-6H,1-2H3",CJDICMLSLYHRPT-UHFFFAOYSA-N,C8H10N2O2,166.18,166.0742276,2.2,49.1,165,0,0,3,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"7-(4-(DIMETHYLAMINO)PHENYL)-N-HYDROXY-4,6-DIMETHYL-7-OXO-2,4-HEPTADIENAMIDE",058880-19-6,444732,"(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide",C[C@H](/C=C(\C)/C=C/C(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C,"InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1",RTKIYFITIVXBLE-QEQCGCAPSA-N,C17H22N2O3,302.37,302.1630426,2.7,69.6,447,0,2,4,6,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
ETHYL 2-BROMOBENZOATE,006091-64-1,80186,ethyl 2-bromobenzoate,CCOC(=O)C1=CC=CC=C1Br,"InChI=1S/C9H9BrO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3",BIHHBTVQFPVSTE-UHFFFAOYSA-N,C9H9BrO2,229.07,227.97859,3.4,26.3,159,0,0,2,3,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,5-DICHLOROTEREPHTHALONITRILE",001897-43-4,121191,"2,5-dichlorobenzene-1,4-dicarbonitrile",C1=C(C(=CC(=C1Cl)C#N)Cl)C#N,InChI=1S/C8H2Cl2N2/c9-7-1-5(3-11)8(10)2-6(7)4-12/h1-2H,UCRQGBRIGDKUAM-UHFFFAOYSA-N,C8H2Cl2N2,197.02,195.9595035,2.6,47.6,231,0,0,2,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1,4-DIMETHYL-2-NITRO-",000089-58-7,6974,"1,4-dimethyl-2-nitrobenzene",CC1=CC(=C(C=C1)C)[N+](=O)[O-],"InChI=1S/C8H9NO2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3",BSFHJMGROOFSRA-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,2.5,45.8,153,0,0,2,0,11,"greater than 200 °F (NTP, 1992)","464 to 466 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-BENZENEDIAMINE, 4-ETHOXY-",001197-37-1,14532,"4-ethoxybenzene-1,2-diamine",CCOC1=CC(=C(C=C1)N)N,"InChI=1S/C8H12N2O/c1-2-11-6-3-4-7(9)8(10)5-6/h3-5H,2,9-10H2,1H3",KLLREYQZEOLXHA-UHFFFAOYSA-N,C8H12N2O,152.19,152.094963,1,61.3,119,0,2,3,2,11,,295 °C,1,1,1,1,0,1,1,0,0,0,1,0,0,0,0,0,0,1,0,0
"Acetic acid, ((4-chloro-o-tolyl)oxy)-, sodium salt",003653-48-3,2724048,sodium 2-(4-chloro-2-methylphenoxy)acetate,CC1=C(C=CC(=C1)Cl)OCC(=O)[O-].[Na+],"InChI=1S/C9H9ClO3.Na/c1-6-4-7(10)2-3-8(6)13-5-9(11)12;/h2-4H,5H2,1H3,(H,11,12);/q;+1/p-1",STAPBGVGYWCRTF-UHFFFAOYSA-M,C9H8ClNaO3,222.6,222.0059661,,49.4,189,0,0,3,3,14,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETIC ACID, (4-CHLORO-2-METHYLPHENOXY)-, 2-BUTOXYETHYL ESTER",019480-43-4,62736,2-butoxyethyl 2-(4-chloro-2-methylphenoxy)acetate,CCCCOCCOC(=O)COC1=C(C=C(C=C1)Cl)C,"InChI=1S/C15H21ClO4/c1-3-4-7-18-8-9-19-15(17)11-20-14-6-5-13(16)10-12(14)2/h5-6,10H,3-4,7-9,11H2,1-2H3",WKGKFWXGAHXMCE-UHFFFAOYSA-N,C15H21ClO4,300.78,300.1128368,3.9,44.8,273,0,0,4,10,20,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
2-CHLOROBENZYL CHLORIDE,000611-19-8,11906,1-chloro-2-(chloromethyl)benzene,C1=CC=C(C(=C1)CCl)Cl,"InChI=1S/C7H6Cl2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2",BASMANVIUSSIIM-UHFFFAOYSA-N,C7H6Cl2,161.03,159.9846556,3.2,0,83,0,0,0,1,9,91 °C,213 °C,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"2-CHLORO-1,4-BENZENEDIAMINE",000615-66-7,11998,"2-chlorobenzene-1,4-diamine",C1=CC(=C(C=C1N)Cl)N,"InChI=1S/C6H7ClN2/c7-5-3-4(8)1-2-6(5)9/h1-3H,8-9H2",MGLZGLAFFOMWPB-UHFFFAOYSA-N,C6H7ClN2,142.58,142.0297759,1.6,52,97,0,2,2,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BUTANAMIDE, N-(2-METHYLPHENYL)-3-OXO-",000093-68-5,7154,N-(2-methylphenyl)-3-oxobutanamide,CC1=CC=CC=C1NC(=O)CC(=O)C,"InChI=1S/C11H13NO2/c1-8-5-3-4-6-10(8)12-11(14)7-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)",TVZIWRMELPWPPR-UHFFFAOYSA-N,C11H13NO2,191.23,191.0946287,1.3,46.2,225,0,1,2,3,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
FLUTAMIDE,013311-84-7,3397,2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide,CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F,"InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)",MKXKFYHWDHIYRV-UHFFFAOYSA-N,C11H11F3N2O3,276.21,276.0721767,3.3,74.9,352,0,1,6,2,19,,,0,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
O-NITROPHENOL,000088-75-5,6947,2-nitrophenol,C1=CC=C(C(=C1)[N+](=O)[O-])O,"InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H",IQUPABOKLQSFBK-UHFFFAOYSA-N,C6H5NO3,139.11,139.026943,1.8,66.1,131,0,1,3,0,10,108 °C c.c.,"417 to 421 °F at 760 mmHg (Decomposes) (NTP, 1992)",1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
TERT-BUTYLHYDROQUINONE,001948-33-0,16043,"2-tert-butylbenzene-1,4-diol",CC(C)(C)C1=C(C=CC(=C1)O)O,"InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3",BGNXCDMCOKJUMV-UHFFFAOYSA-N,C10H14O2,166.22,166.0993797,2.8,40.5,148,0,2,2,1,12,"340 °F (NTP, 1992)","563 °F at 760 mmHg (NTP, 1992)",1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"METHANOL, (PHENYLMETHOXY)-",014548-60-8,84520,phenylmethoxymethanol,C1=CC=C(C=C1)COCO,"InChI=1S/C8H10O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2",PETXWIMJICIQTQ-UHFFFAOYSA-N,C8H10O2,138.16,138.0680796,1.3,29.5,77,0,1,2,3,10,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"IMIDODICARBONIMIDIC DIAMIDE, N-(2-METHYLPHENYL)-",000093-69-6,7155,1-(diaminomethylidene)-2-(2-methylphenyl)guanidine,CC1=CC=CC=C1N=C(N)N=C(N)N,"InChI=1S/C9H13N5/c1-6-4-2-3-5-7(6)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)",SQZCAOHYQSOZCE-UHFFFAOYSA-N,C9H13N5,191.23,191.1170954,0.3,103,242,0,3,1,2,14,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"BENZENE, 2-CHLORO-1,3-DINITRO-5-(TRIFLUOROMETHYL)-",000393-75-9,9809,"2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene",C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(F)(F)F,"InChI=1S/C7H2ClF3N2O4/c8-6-4(12(14)15)1-3(7(9,10)11)2-5(6)13(16)17/h1-2H",HFHAVERNVFNSHL-UHFFFAOYSA-N,C7H2ClF3N2O4,270.55,269.9655187,2.5,91.6,303,0,0,7,0,17,126 °C,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
THIOANISOLE,000100-68-5,7520,methylsulfanylbenzene,CSC1=CC=CC=C1,"InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3",HNKJADCVZUBCPG-UHFFFAOYSA-N,C7H8S,124.21,124.0346714,2.7,25.3,55,0,0,1,1,8,,188.00 to 193.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
BENZYL CHLORIDE,000100-44-7,7503,chloromethylbenzene,C1=CC=C(C=C1)CCl,"InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2",KCXMKQUNVWSEMD-UHFFFAOYSA-N,C7H7Cl,126.58,126.0236279,2.3,0,55,0,0,0,1,8,"153 °F (EPA, 1998)","354 °F at 760 mmHg (EPA, 1998)",0,0,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,1,1
BENZOYL CHLORIDE,000098-88-4,7412,benzoyl chloride,C1=CC=C(C=C1)C(=O)Cl,InChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H,PASDCCFISLVPSO-UHFFFAOYSA-N,C7H5ClO,140.56,140.0028925,2.9,17.1,105,0,0,1,1,9,"162 °F (NTP, 1992)","387 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
DL-ALPHA-PHENYLETHYLAMINE,000618-36-0,7408,1-phenylethanamine,CC(C1=CC=CC=C1)N,"InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3",RQEUFEKYXDPUSK-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,1.2,26,74,0,1,1,1,9,79.4 °C,188.5 °C,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
N-ISOPROPYLANILINE,000768-52-5,13032,N-propan-2-ylaniline,CC(C)NC1=CC=CC=C1,"InChI=1S/C9H13N/c1-8(2)10-9-6-4-3-5-7-9/h3-8,10H,1-2H3",FRCFWPVMFJMNDP-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,2.5,12,82,0,1,1,2,10,"190 °F (NTP, 1992)","397 to 399 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-ETHYLPHENOL,000090-00-6,6997,2-ethylphenol,CCC1=CC=CC=C1O,"InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3",IXQGCWUGDFDQMF-UHFFFAOYSA-N,C8H10O,122.16,122.0731649,2.5,20.2,80,0,1,1,1,9,"173 °F (NTP, 1992)","400.14 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-TERT-BUTYLPHENOL,000088-18-6,6923,2-tert-butylphenol,CC(C)(C)C1=CC=CC=C1O,"InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3",WJQOZHYUIDYNHM-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,3.3,20.2,123,0,1,1,1,11,110 °C,223 °C @ 760 mm Hg,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
CINNAMYL CHLORIDE,002687-12-9,639658,[(E)-3-chloroprop-1-enyl]benzene,C1=CC=C(C=C1)/C=C/CCl,"InChI=1S/C9H9Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+",IWTYTFSSTWXZFU-QPJJXVBHSA-N,C9H9Cl,152.62,152.039278,3.2,0,101,0,0,0,2,10,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,1,1,0,0
"BENZENE, 1-(CHLOROMETHYL)-4-METHYL-",000104-82-5,7722,1-(chloromethyl)-4-methylbenzene,CC1=CC=C(C=C1)CCl,"InChI=1S/C8H9Cl/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3",DMHZDOTYAVHSEH-UHFFFAOYSA-N,C8H9Cl,140.61,140.039278,2.9,0,72,0,0,0,1,9,,200-202 °C,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1,3-DICHLORO-2-METHYL-",000118-69-4,8368,"1,3-dichloro-2-methylbenzene",CC1=C(C=CC=C1Cl)Cl,"InChI=1S/C7H6Cl2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3",DMEDNTFWIHCBRK-UHFFFAOYSA-N,C7H6Cl2,161.03,159.9846556,4.3,0,82,0,0,0,0,9,82 °C,198 °C @ 760 mm Hg,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
O-BROMOTOLUENE,000095-46-5,7236,1-bromo-2-methylbenzene,CC1=CC=CC=C1Br,"InChI=1S/C7H7Br/c1-6-4-2-3-5-7(6)8/h2-5H,1H3",QSSXJPIWXQTSIX-UHFFFAOYSA-N,C7H7Br,171.03,169.97311,3.5,0,70,0,0,0,0,8,"174 °F (NTP, 1992)","358 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZALDEHYDE,000100-52-7,240,benzaldehyde,C1=CC=C(C=C1)C=O,InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H,HUMNYLRZRPPJDN-UHFFFAOYSA-N,C7H6O,106.12,106.0418648,1.5,17.1,72,0,0,1,1,8,"148 °F (NTP, 1992)","354 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SALICYLALDEHYDE,000090-02-8,6998,2-hydroxybenzaldehyde,C1=CC=C(C(=C1)C=O)O,"InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H",SMQUZDBALVYZAC-UHFFFAOYSA-N,C7H6O2,122.12,122.0367794,1.8,37.3,101,0,1,2,1,9,"172 °F (USCG, 1999)","386 °F at 760 mmHg (USCG, 1999)",0,1,0,1,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,0
METHYL BENZOATE,000093-58-3,7150,methyl benzoate,COC(=O)C1=CC=CC=C1,"InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3",QPJVMBTYPHYUOC-UHFFFAOYSA-N,C8H8O2,136.15,136.0524295,2.1,26.3,114,0,0,2,2,10,"181 °F (NTP, 1992)","388 to 390 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
P-METHYLACETOPHENONE,000122-00-9,8500,1-(4-methylphenyl)ethanone,CC1=CC=C(C=C1)C(=O)C,"InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3",GNKZMNRKLCTJAY-UHFFFAOYSA-N,C9H10O,134.17,134.0731649,2.1,17.1,121,0,0,1,1,10,,222.00 to 226.00 °C. @ 756.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
P-TOLUALDEHYDE,000104-87-0,7725,4-methylbenzaldehyde,CC1=CC=C(C=C1)C=O,"InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3",FXLOVSHXALFLKQ-UHFFFAOYSA-N,C8H8O,120.15,120.0575149,2.1,17.1,90,0,0,1,1,9,,204 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
BENZYL MERCAPTAN,000100-53-8,7509,phenylmethanethiol,C1=CC=C(C=C1)CS,"InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2",UENWRTRMUIOCKN-UHFFFAOYSA-N,C7H8S,124.21,124.0346714,2.4,1,55,0,1,1,1,8,158 °F (70 °C)(Closed cup),194-195 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
BETA-BROMOSTYRENE,000103-64-0,7667,2-bromoethenylbenzene,C1=CC=C(C=C1)C=CBr,InChI=1S/C8H7Br/c9-7-6-8-4-2-1-3-5-8/h1-7H,YMOONIIMQBGTDU-UHFFFAOYSA-N,C8H7Br,183.04,181.97311,2.9,0,90,0,0,0,1,9,79 °C (closed cup),112 °C at 20 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,4-DIFLUOROBENZALDEHYDE",034036-07-2,588088,"3,4-difluorobenzaldehyde",C1=CC(=C(C=C1C=O)F)F,InChI=1S/C7H4F2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H,JPHKMYXKNKLNDF-UHFFFAOYSA-N,C7H4F2O,142.1,142.0230211,1.8,17.1,127,0,0,3,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-DICHLOROBENZOTRIFLUORIDE",000328-84-7,9481,"1,2-dichloro-4-(trifluoromethyl)benzene",C1=CC(=C(C=C1C(F)(F)F)Cl)Cl,"InChI=1S/C7H3Cl2F3/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H",XILPLWOGHPSJBK-UHFFFAOYSA-N,C7H3Cl2F3,215,213.95639,4.4,0,157,0,0,3,0,12,[ChemIDplus] 65 °C,173-174 °C,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZONITRILE,000100-47-0,7505,benzonitrile,C1=CC=C(C=C1)C#N,InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H,JFDZBHWFFUWGJE-UHFFFAOYSA-N,C7H5N,103.12,103.0421992,1.6,23.8,103,0,0,1,0,8,"161 °F (NTP, 1992)","375.3 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
P-CHLOROPHENOL,000106-48-9,4684,4-chlorophenol,C1=CC(=CC=C1O)Cl,"InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H",WXNZTHHGJRFXKQ-UHFFFAOYSA-N,C6H5ClO,128.55,128.0028925,2.4,20.2,66,0,1,1,0,8,"250 °F (NTP, 1992)","428 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
4-CHLOROPHENYL ISOCYANATE,000104-12-1,7693,1-chloro-4-isocyanatobenzene,C1=CC(=CC=C1N=C=O)Cl,InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H,ADAKRBAJFHTIEW-UHFFFAOYSA-N,C7H4ClNO,153.56,152.9981414,3.3,29.4,146,0,0,2,1,10,110 °C,204 °C,1,0,1,1,0,0,1,1,0,0,0,0,0,0,1,0,1,0,0,1
FENTHION,000055-38-9,3346,dimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-lambda5-phosphane,CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC,"InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3",PNVJTZOFSHSLTO-UHFFFAOYSA-N,C10H15O3PS2,278.3,278.0200237,4.1,85.1,254,0,0,5,5,16,170 °C,"189 °F at 0.01 mmHg (NTP, 1992)",1,1,1,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,1,0
"BENZENEACETIC ACID, 2-PROPENYL ESTER",001797-74-6,15717,prop-2-enyl 2-phenylacetate,C=CCOC(=O)CC1=CC=CC=C1,"InChI=1S/C11H12O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2",ZCDYAMJXVAUTIM-UHFFFAOYSA-N,C11H12O2,176.21,176.0837296,2.4,26.3,169,0,0,2,5,13,,239.00 to 240.00 °C. @ 760.00 mm Hg,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"Phosphorothioic acid, O,O-dimethyl O-(4-nitro-m-tolyl) ester",000122-14-5,31200,dimethoxy-(3-methyl-4-nitrophenoxy)-sulfanylidene-lambda5-phosphane,CC1=C(C=CC(=C1)OP(=S)(OC)OC)[N+](=O)[O-],"InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3",ZNOLGFHPUIJIMJ-UHFFFAOYSA-N,C9H12NO5PS,277.24,277.0173807,3.3,106,313,0,0,6,4,17,> 100.00 °C (> 212.00 °F),"244 °F at 0.05 mmHg (EPA, 1998)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
METHYLCARBAMIC ACID 3-METHYLPHENYL ESTER,001129-41-5,14322,(3-methylphenyl) N-methylcarbamate,CC1=CC(=CC=C1)OC(=O)NC,"InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11)",VOEYXMAFNDNNED-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,1.7,38.3,159,0,1,2,2,12,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 2-(1-METHYLETHYL)-, METHYLCARBAMATE",002631-40-5,17517,(2-propan-2-ylphenyl) N-methylcarbamate,CC(C)C1=CC=CC=C1OC(=O)NC,"InChI=1S/C11H15NO2/c1-8(2)9-6-4-5-7-10(9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)",QBSJMKIUCUGGNG-UHFFFAOYSA-N,C11H15NO2,193.24,193.1102787,2.3,38.3,192,0,1,2,3,14,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
O-NITROTOLUENE,000088-72-2,6944,1-methyl-2-nitrobenzene,CC1=CC=CC=C1[N+](=O)[O-],"InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3",PLAZTCDQAHEYBI-UHFFFAOYSA-N,C7H7NO2,137.14,137.0476785,2.3,45.8,130,0,0,2,0,10,"223 °F (NTP, 1992)","431.1 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,1,1,0,0,0,1,0,0,1,0,0,0,0,0,0
BROMOXYNIL OCTANOATE,001689-99-2,15533,"(2,6-dibromo-4-cyanophenyl) octanoate",CCCCCCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br,"InChI=1S/C15H17Br2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3",DQKWXTIYGWPGOO-UHFFFAOYSA-N,C15H17Br2NO2,403.11,402.96055,5.8,50.1,341,0,0,3,8,20,"102 °F, 39 °C (TCC)",,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,1,0,0
P-NITROPHENOL,000100-02-7,980,4-nitrophenol,C1=CC(=CC=C1[N+](=O)[O-])O,"InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H",BTJIUGUIPKRLHP-UHFFFAOYSA-N,C6H5NO3,139.11,139.026943,1.9,66.1,123,0,1,3,0,10,"377 °F (NTP, 1992)","534 °F at 760 mmHg (Decomposes) (NTP, 1992)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,4-DICHLOROPHENOXYACETIC ACID",000094-75-7,1486,"2-(2,4-dichlorophenoxy)acetic acid",C1=CC(=C(C=C1Cl)Cl)OCC(=O)O,"InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)",OVSKIKFHRZPJSS-UHFFFAOYSA-N,C8H6Cl2O3,221.03,219.9693994,2.8,46.5,186,0,1,3,3,13,,"Decomposes (NTP, 1992)",0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,1
"2,4-DIETHYL-6-METHYL-1,3-BENZENEDIAMINE",002095-02-5,74980,"2,4-diethyl-6-methylbenzene-1,3-diamine",CCC1=C(C(=C(C(=C1)C)N)CC)N,"InChI=1S/C11H18N2/c1-4-8-6-7(3)10(12)9(5-2)11(8)13/h6H,4-5,12-13H2,1-3H3",PISLZQACAJMAIO-UHFFFAOYSA-N,C11H18N2,178.27,178.1469986,2.5,52,158,0,2,2,2,13,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0
"1,3-BENZENEDIAMINE, 4,6-DIETHYL-2-METHYL-",002095-01-4,74979,"4,6-diethyl-2-methylbenzene-1,3-diamine",CCC1=CC(=C(C(=C1N)C)N)CC,"InChI=1S/C11H18N2/c1-4-8-6-9(5-2)11(13)7(3)10(8)12/h6H,4-5,12-13H2,1-3H3",RQEOBXYYEPMCPJ-UHFFFAOYSA-N,C11H18N2,178.27,178.1469986,2.5,52,142,0,2,2,2,13,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0
PYROGALLIC ACID,000087-66-1,1057,"benzene-1,2,3-triol",C1=CC(=C(C(=C1)O)O)O,"InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H",WQGWDDDVZFFDIG-UHFFFAOYSA-N,C6H6O3,126.11,126.031694,0.5,60.7,84,0,3,3,0,9,,"588 °F at 760 mmHg (Decomposes at 559 °F) (NTP, 1992)",0,1,1,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0
P-CARBOXYBENZENESULFONAMIDE,000138-41-0,8739,4-sulfamoylbenzoic acid,C1=CC(=CC=C1C(=O)O)S(=O)(=O)N,"InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)",UCAGLBKTLXCODC-UHFFFAOYSA-N,C7H7NO4S,201.2,201.0095789,0.5,106,284,0,2,5,2,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphorothioic acid, O-(4-bromo-2-chlorophenyl)-O-ethyl-S-propyl ester",041198-08-7,38779,4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene,CCCSP(=O)(OCC)OC1=C(C=C(C=C1)Br)Cl,"InChI=1S/C11H15BrClO3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3",QYMMJNLHFKGANY-UHFFFAOYSA-N,C11H15BrClO3PS,373.63,371.93514,4.7,60.8,295,0,0,4,7,18,,100 °C @ 1.35X10-2 mm Hg,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,6-DIMETHYLANILINE",000087-62-7,6896,"2,6-dimethylaniline",CC1=C(C(=CC=C1)C)N,"InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3",UFFBMTHBGFGIHF-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,1.8,26,80,0,1,1,0,9,"196 °F (NTP, 1992)","417 °F at 739 mmHg (NTP, 1992)",0,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0,1
CRUFORMATE,000299-86-5,9300,N-[(4-tert-butyl-2-chlorophenoxy)-methoxyphosphoryl]methanamine,CC(C)(C)C1=CC(=C(C=C1)OP(=O)(NC)OC)Cl,"InChI=1S/C12H19ClNO3P/c1-12(2,3)9-6-7-11(10(13)8-9)17-18(15,14-4)16-5/h6-8H,1-5H3,(H,14,15)",BOFHKBLZOYVHSI-UHFFFAOYSA-N,C12H19ClNO3P,291.71,291.0791082,3.4,47.6,319,0,1,4,5,18,,"Decomposes (NIOSH, 2024)",1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
P-AMINOPHENOL,000123-30-8,403,4-aminophenol,C1=CC(=CC=C1N)O,"InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2",PLIKAWJENQZMHA-UHFFFAOYSA-N,C6H7NO,109.13,109.0527638,0,46.3,66,0,2,2,0,8,195 °C (383 °F) - closed cup,"543 °F at 760 mmHg (Decomposes) (NTP, 1992)",1,0,1,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0
"Crotonic acid, 2(or 4)-(1-methylheptyl)-4,6(or 2,6)-dinitrophenyl ester",039300-45-3,156614068,(2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane,CCCCCCCC.C/C=C/C(=O)OC1=CC=CC=C1[N+](=O)[O-].N(=O)O,"InChI=1S/C10H9NO4.C8H18.HNO2/c1-2-5-10(12)15-9-7-4-3-6-8(9)11(13)14;1-3-5-7-8-6-4-2;2-1-3/h2-7H,1H3;3-8H2,1-2H3;(H,2,3)/b5-2+;;",ZVJZHLVSRSKTNE-OPIVVEOKSA-N,C18H28N2O6,368.4,368.1947366,,122,304,0,1,7,8,26,,138-140 °C (0.05 mm Hg),1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,1,1,1,0
"PROPANIL [N-(3,4-DICHLOROPHENYL)PROPANAMIDE]",000709-98-8,4933,"N-(3,4-dichlorophenyl)propanamide",CCC(=O)NC1=CC(=C(C=C1)Cl)Cl,"InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)",LFULEKSKNZEWOE-UHFFFAOYSA-N,C9H9Cl2NO,218.08,217.0061193,3.1,29.1,186,0,1,1,2,13,>100 °C,351 °C,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
O-DICHLOROBENZENE,000095-50-1,7239,"1,2-dichlorobenzene",C1=CC=C(C(=C1)Cl)Cl,InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H,RFFLAFLAYFXFSW-UHFFFAOYSA-N,C6H4Cl2,147,145.9690055,3.4,0,62,0,0,0,0,8,"151 °F (NTP, 1992)","356.9 °F at 760 mmHg (NTP, 1992)",1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"HYDRAZINE, (4-BROMOPHENYL)-, MONOHYDROCHLORIDE",000622-88-8,12157,(4-bromophenyl)hydrazine;hydrochloride,C1=CC(=CC=C1NN)Br.Cl,"InChI=1S/C6H7BrN2.ClH/c7-5-1-3-6(9-8)4-2-5;/h1-4,9H,8H2;1H",RGGOWBBBHWTTRE-UHFFFAOYSA-N,C6H8BrClN2,223.5,221.95594,,38.1,79,0,3,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL SALICYLATE,000119-36-8,4133,methyl 2-hydroxybenzoate,COC(=O)C1=CC=CC=C1O,"InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3",OSWPMRLSEDHDFF-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,2.3,46.5,144,0,1,3,2,11,"205 °F (NTP, 1992)","432 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,1,0,0
"DIPROPYLCARBAMOTHIOIC ACID, S-(PHENYMETHYL) ESTER",052888-80-9,62020,"S-benzyl N,N-dipropylcarbamothioate",CCCN(CCC)C(=O)SCC1=CC=CC=C1,"InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3",NQLVQOSNDJXLKG-UHFFFAOYSA-N,C14H21NOS,251.39,251.1343855,3.9,45.6,208,0,0,2,7,17,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
P-TERT-AMYLPHENOL,000080-46-6,6643,4-(2-methylbutan-2-yl)phenol,CCC(C)(C)C1=CC=C(C=C1)O,"InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3",NRZWYNLTFLDQQX-UHFFFAOYSA-N,C11H16O,164.24,164.1201151,3.9,20.2,132,0,1,1,2,12,"232 °F (NTP, 1992)","504.5 °F at 760 mmHg ; 280 °F at 15 mmHg; 491-513 °F (NTP, 1992)",0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
METHYL P-TOLUENESULFONATE,000080-48-8,6645,methyl 4-methylbenzenesulfonate,CC1=CC=C(C=C1)S(=O)(=O)OC,"InChI=1S/C8H10O3S/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3",VUQUOGPMUUJORT-UHFFFAOYSA-N,C8H10O3S,186.23,186.0350654,2.2,51.8,219,0,0,3,2,12,306 °F (152 °C) (open cup),292 °C @ 760 MM HG,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"2,4-DI-TERT-BUTYLPHENOL",000096-76-4,7311,"2,4-ditert-butylphenol",CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C,"InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3",ICKWICRCANNIBI-UHFFFAOYSA-N,C14H22O,206.32,206.1670653,4.9,20.2,206,0,1,1,2,15,,263.5 °C,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
"2,4,5-TRICHLOROPHENOL",000095-95-4,7271,"2,4,5-trichlorophenol",C1=C(C(=CC(=C1Cl)Cl)Cl)O,"InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H",LHJGJYXLEPZJPM-UHFFFAOYSA-N,C6H3Cl3O,197.4,195.924948,3.7,20.2,120,0,1,1,0,10,133.0 °C (271.4 °F) (Closed cup),"487 °F at 760 mmHg (NTP, 1992)",1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
GUAIACOL,000090-05-1,460,2-methoxyphenol,COC1=CC=CC=C1O,"InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3",LHGVFZTZFXWLCP-UHFFFAOYSA-N,C7H8O2,124.14,124.0524295,1.3,29.5,83,0,1,2,1,9,"180 °F (NTP, 1992)","399 to 403 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
BENZYLTRIETHYLAMMONIUM CHLORIDE,000056-37-1,66133,benzyl(triethyl)azanium chloride,CC[N+](CC)(CC)CC1=CC=CC=C1.[Cl-],"InChI=1S/C13H22N.ClH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1",HTZCNXWZYVXIMZ-UHFFFAOYSA-M,C13H22ClN,227.77,227.1440774,,0,135,0,0,1,5,15,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
1-PHENYL-2-PROPANOL,014898-87-4,94185,1-phenylpropan-2-ol,CC(CC1=CC=CC=C1)O,"InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3",WYTRYIUQUDTGSX-UHFFFAOYSA-N,C9H12O,136.19,136.088815,2,20.2,84,0,1,1,2,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
LITHIUM SALICYLATE,000552-38-5,23663621,lithium 2-hydroxybenzoate,[Li+].C1=CC=C(C(=C1)C(=O)[O-])O,"InChI=1S/C7H6O3.Li/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1",PSBOOKLOXQFNPZ-UHFFFAOYSA-M,C7H5LiO3,144.1,144.0398725,,60.4,138,0,1,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEACETIC ACID, 4-CHLORO-.ALPHA.-HYDROXY-",000492-86-4,10299,2-(4-chlorophenyl)-2-hydroxyacetic acid,C1=CC(=CC=C1C(C(=O)O)O)Cl,"InChI=1S/C8H7ClO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)",BWSFWXSSALIZAU-UHFFFAOYSA-N,C8H7ClO3,186.59,186.0083718,1.2,57.5,164,0,2,3,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"2-BUTEN-1-ONE, 1-PHENYL-",000495-41-0,231934,(E)-1-phenylbut-2-en-1-one,C/C=C/C(=O)C1=CC=CC=C1,"InChI=1S/C10H10O/c1-2-6-10(11)9-7-4-3-5-8-9/h2-8H,1H3/b6-2+",FUJZJBCWPIOHHN-QHHAFSJGSA-N,C10H10O,146.19,146.0731649,1.8,17.1,152,0,0,1,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"DL-LYSINE, MONO[2-(ACETYLOXY)BENZOATE]",062952-06-1,9905405,"2-acetyloxybenzoic acid;2,6-diaminohexanoic acid",CC(=O)OC1=CC=CC=C1C(=O)O.C(CCN)CC(C(=O)O)N,"InChI=1S/C9H8O4.C6H14N2O2/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;7-4-2-1-3-5(8)6(9)10/h2-5H,1H3,(H,11,12);5H,1-4,7-8H2,(H,9,10)",JJBCTCGUOQYZHK-UHFFFAOYSA-N,C15H22N2O6,326.34,326.1477864,,153,318,0,4,8,8,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BUTYLATED HYDROXYANISOLE,025013-16-5,8456,2-tert-butyl-4-methoxyphenol,CC(C)(C)C1=C(C=CC(=C1)OC)O,"InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3",MRBKEAMVRSLQPH-UHFFFAOYSA-N,C11H16O2,180.24,180.1150297,3.2,29.5,160,0,1,2,2,13,"313 °F (NTP, 1992)","507 to 518 °F at 733 mmHg (NTP, 1992)",0,0,0,1,0,1,1,1,0,0,0,0,0,1,0,0,1,0,0,1
BENZAL CHLORIDE,000098-87-3,7411,dichloromethylbenzene,C1=CC=C(C=C1)C(Cl)Cl,"InChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H",CAHQGWAXKLQREW-UHFFFAOYSA-N,C7H6Cl2,161.03,159.9846556,3,0,75,0,0,0,1,9,"198 °F (NTP, 1992)","401 °F at 760 mmHg (EPA, 1998)",0,0,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
RESORCINOL,000108-46-3,5054,"benzene-1,3-diol",C1=CC(=CC(=C1)O)O,"InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H",GHMLBKRAJCXXBS-UHFFFAOYSA-N,C6H6O2,110.11,110.0367794,0.8,40.5,64,0,2,2,0,8,"261 °F (NTP, 1992)","531 to 536 °F at 760 mmHg (NTP, 1992)",1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"PHENOL, 2,4,6-TRIS(1,1-DIMETHYLETHYL)-",000732-26-3,12902,"2,4,6-tritert-butylphenol",CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,"InChI=1S/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3",PFEFOYRSMXVNEL-UHFFFAOYSA-N,C18H30O,262.4,262.2296656,6.6,20.2,273,0,1,1,3,19,130.00 °C (266.00 °F) (closed cup),278 °C,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,1,1,0
CINNAMYL ALCOHOL,000104-54-1,5315892,(E)-3-phenylprop-2-en-1-ol,C1=CC=C(C=C1)/C=C/CO,"InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+",OOCCDEMITAIZTP-QPJJXVBHSA-N,C9H10O,134.17,134.0731649,1.9,20.2,101,0,1,1,2,10,126 °C,250.0 °C @ 760 MM HG,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
EUGENOL,000097-53-0,3314,2-methoxy-4-prop-2-enylphenol,COC1=C(C=CC(=C1)CC=C)O,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",RRAFCDWBNXTKKO-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,2,29.5,145,0,1,2,3,12,"219 °F (NTP, 1992)","489 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
P-PHENETIDINE,000156-43-4,9076,4-ethoxyaniline,CCOC1=CC=C(C=C1)N,"InChI=1S/C8H11NO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2,9H2,1H3",IMPPGHMHELILKG-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,1.2,35.3,87,0,1,2,2,10,"240 °F (NTP, 1992)","482 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0
TETRACHLORVINPHOS (STIROPHOS),022248-79-9,5284462,"[(Z)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate",COP(=O)(OC)O/C(=C\Cl)/C1=CC(=C(C=C1Cl)Cl)Cl,"InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3/b10-5-",UBCKGWBNUIFUST-YHYXMXQVSA-N,C10H9Cl4O4P,366,365.896306,3.5,44.8,371,0,0,4,5,19,,,1,1,1,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0
BENZYL ALCOHOL,000100-51-6,244,phenylmethanol,C1=CC=C(C=C1)CO,"InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2",WVDDGKGOMKODPV-UHFFFAOYSA-N,C7H8O,108.14,108.0575149,1.1,20.2,55,0,1,1,1,8,"213 °F (NTP, 1992)","401 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
THYMOL,000089-83-8,6989,5-methyl-2-propan-2-ylphenol,CC1=CC(=C(C=C1)C(C)C)O,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3",MGSRCZKZVOBKFT-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,3.3,20.2,120,0,1,1,1,11,110 °C (230 °F) (Closed cup),233 °C,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
MCPP ACID,007085-19-0,7153,2-(4-chloro-2-methylphenoxy)propanoic acid,CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O,"InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)",WNTGYJSOUMFZEP-UHFFFAOYSA-N,C10H11ClO3,214.64,214.0396719,3.1,46.5,208,0,1,3,3,14,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"26-(NONYLPHENOXY)-3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL",026571-11-9,72385,2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol,CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3",FBWNMEQMRUMQSO-UHFFFAOYSA-N,C33H60O10,616.8,616.4186481,4.6,103,520,0,1,10,35,43,197 °C (closed cup),250 °C,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
MCPA ACID,000094-74-6,7204,2-(4-chloro-2-methylphenoxy)acetic acid,CC1=C(C=CC(=C1)Cl)OCC(=O)O,"InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)",WHKUVVPPKQRRBV-UHFFFAOYSA-N,C9H9ClO3,200.62,200.0240218,2.6,46.5,184,0,1,3,3,13,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
ETHYLENE GLYCOL MONOPHENYL ETHER,000122-99-6,31236,2-phenoxyethanol,C1=CC=C(C=C1)OCCO,"InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2",QCDWFXQBSFUVSP-UHFFFAOYSA-N,C8H10O2,138.16,138.0680796,1.2,29.5,77,0,1,2,3,10,"250 °F (NTP, 1992)","473.4 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
ACETYLSALICYLIC ACID,000050-78-2,2244,2-acetyloxybenzoic acid,CC(=O)OC1=CC=CC=C1C(=O)O,"InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",BSYNRYMUTXBXSQ-UHFFFAOYSA-N,C9H8O4,180.16,180.0422587,1.2,63.6,212,0,1,4,3,13,"482 °F (NTP, 1992)","284 °F at 760 mmHg (decomposes) (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DICHLOROPHENOL",000583-78-8,66,"2,5-dichlorophenol",C1=CC(=C(C=C1Cl)O)Cl,"InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H",RANCECPPZPIPNO-UHFFFAOYSA-N,C6H4Cl2O,163,161.9639201,3.1,20.2,97,0,1,1,0,9,,"412 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"4-CHLORO-1,2-PHENYLENEDIAMINE",000095-83-0,7263,"4-chlorobenzene-1,2-diamine",C1=CC(=C(C=C1Cl)N)N,"InChI=1S/C6H7ClN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2",BXIXXXYDDJVHDL-UHFFFAOYSA-N,C6H7ClN2,142.58,142.0297759,1.3,52,97,0,2,2,0,9,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DIAMINOANISOLE SULFATE",039156-41-7,38221,"4-methoxybenzene-1,3-diamine;sulfuric acid",COC1=C(C=C(C=C1)N)N.OS(=O)(=O)O,"InChI=1S/C7H10N2O.H2O4S/c1-10-7-3-2-5(8)4-6(7)9;1-5(2,3)4/h2-4H,8-9H2,1H3;(H2,1,2,3,4)",FDJQHYWUHGBBTO-UHFFFAOYSA-N,C7H12N2O5S,236.25,236.0466927,,144,189,0,4,7,1,15,,,0,0,0,1,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0
"BENZENE, 2,4-DICHLORO-1-NITRO-",000611-06-3,11899,"2,4-dichloro-1-nitrobenzene",C1=CC(=C(C=C1Cl)Cl)[N+](=O)[O-],InChI=1S/C6H3Cl2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,QUIMTLZDMCNYGY-UHFFFAOYSA-N,C6H3Cl2NO2,192,190.9540837,3.1,45.8,159,0,0,2,0,11,"greater than 235 °F (NTP, 1992)","496 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,1,1,1,0,0,1,0,0,0,0,0,1,1,0,1
"PHENOL, 2-AMINO-4-CHLORO-",000095-85-2,7265,2-amino-4-chlorophenol,C1=CC(=C(C=C1Cl)N)O,"InChI=1S/C6H6ClNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2",SWFNPENEBHAHEB-UHFFFAOYSA-N,C6H6ClNO,143.57,143.0137915,1.8,46.3,99,0,2,2,0,9,170 °C,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Acetamide, 2-(p-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)-",029122-68-7,2249,2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide,CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O,"InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)",METKIMKYRPQLGS-UHFFFAOYSA-N,C14H22N2O3,266.34,266.1630426,0.2,84.6,263,0,3,4,8,19,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0
M-NITROBENZOIC ACID,000121-92-6,8497,3-nitrobenzoic acid,C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O,"InChI=1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)",AFPHTEQTJZKQAQ-UHFFFAOYSA-N,C7H5NO4,167.12,167.0218576,1.8,83.1,198,0,1,4,1,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZENESULFONAMIDE,000098-10-2,7370,benzenesulfonamide,C1=CC=C(C=C1)S(=O)(=O)N,"InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)",KHBQMWCZKVMBLN-UHFFFAOYSA-N,C6H7NO2S,157.19,157.0197496,0.3,68.5,186,0,1,3,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,5-DICHLOROPHENOL",000591-35-5,11571,"3,5-dichlorophenol",C1=C(C=C(C=C1Cl)Cl)O,"InChI=1S/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H",VPOMSPZBQMDLTM-UHFFFAOYSA-N,C6H4Cl2O,163,161.9639201,3.6,20.2,87,0,1,1,0,9,,"451 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
MIRISTALKONIUM CHLORIDE,000139-08-2,8755,benzyl-dimethyl-tetradecylazanium chloride,CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-],"InChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1",OCBHHZMJRVXXQK-UHFFFAOYSA-M,C23H42ClN,368,367.300578,,0,265,0,0,1,15,25,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
ISONONYLPHENOL (MIXED ISOMERS),011066-49-2,119757,2-(7-methyloctyl)phenol,CC(C)CCCCCCC1=CC=CC=C1O,"InChI=1S/C15H24O/c1-13(2)9-5-3-4-6-10-14-11-7-8-12-15(14)16/h7-8,11-13,16H,3-6,9-10H2,1-2H3",UZVAZDQMPUOHKP-UHFFFAOYSA-N,C15H24O,220.35,220.1827154,5.9,20.2,165,0,1,1,7,16,,,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,0
"1,2,3-TRICHLOROBENZENE",000087-61-6,6895,"1,2,3-trichlorobenzene",C1=CC(=C(C(=C1)Cl)Cl)Cl,InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H,RELMFMZEBKVZJC-UHFFFAOYSA-N,C6H3Cl3,181.4,179.930033,4.1,0,84,0,0,0,0,9,"234.9 °F (NTP, 1992)","424 to 426 °F at 760 mmHg (NTP, 1992)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"PHENOL, 2-(1-METHYLPROPYL)-, METHYLCARBAMATE",003766-81-2,19588,(2-butan-2-ylphenyl) N-methylcarbamate,CCC(C)C1=CC=CC=C1OC(=O)NC,"InChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)",DIRFUJHNVNOBMY-UHFFFAOYSA-N,C12H17NO2,207.27,207.1259288,2.8,38.3,206,0,1,2,4,15,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CETALKONIUM CHLORIDE,000122-18-9,31202,benzyl-hexadecyl-dimethylazanium chloride,CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-],"InChI=1S/C25H46N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1H/q+1;/p-1",SXPWTBGAZSPLHA-UHFFFAOYSA-M,C25H46ClN,396.1,395.3318782,,0,291,0,0,1,17,27,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
4-BROMOPHENOL,000106-41-2,7808,4-bromophenol,C1=CC(=CC=C1O)Br,"InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H",GZFGOTFRPZRKDS-UHFFFAOYSA-N,C6H5BrO,173.01,171.95238,2.6,20.2,66,0,1,1,0,8,,238 °C,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,5-TRICHLOROBENZENE",000108-70-3,7950,"1,3,5-trichlorobenzene",C1=C(C=C(C=C1Cl)Cl)Cl,InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H,XKEFYDZQGKAQCN-UHFFFAOYSA-N,C6H3Cl3,181.4,179.930033,4.2,0,63,0,0,0,0,9,"224.6 °F (NTP, 1992)","407.1 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
4-ACETAMIDOPHENOL,000103-90-2,1983,N-(4-hydroxyphenyl)acetamide,CC(=O)NC1=CC=C(C=C1)O,"InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)",RZVAJINKPMORJF-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,0.5,49.3,139,0,2,2,1,11,,>500,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
BENZOTRICHLORIDE,000098-07-7,7367,trichloromethylbenzene,C1=CC=C(C=C1)C(Cl)(Cl)Cl,"InChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H",XEMRAKSQROQPBR-UHFFFAOYSA-N,C7H5Cl3,195.5,193.945683,3.7,0,99,0,0,0,0,10,"260 °F (EPA, 1998)","429.4 °F at 760 mmHg (EPA, 1998)",0,0,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIETHYL-M-TOLUAMIDE",000134-62-3,4284,"N,N-diethyl-3-methylbenzamide",CCN(CC)C(=O)C1=CC=CC(=C1)C,"InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3",MMOXZBCLCQITDF-UHFFFAOYSA-N,C12H17NO,191.27,191.1310142,2,20.3,187,0,0,1,3,14,"311 °F (NTP, 1992)","545 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
METHYL 4-AMINOPHENYLSULFONYLCARBAMATE,003337-71-1,18752,methyl N-(4-aminophenyl)sulfonylcarbamate,COC(=O)NS(=O)(=O)C1=CC=C(C=C1)N,"InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)",VGPYEHKOIGNJKV-UHFFFAOYSA-N,C8H10N2O4S,230.24,230.036128,-0.3,107,314,0,2,5,3,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
N-ETHYL-N-METHYLCATHINONE,1157739-24-6,43794825,2-[ethyl(methyl)amino]-1-phenylpropan-1-one,CCN(C)C(C)C(=O)C1=CC=CC=C1,"InChI=1S/C12H17NO/c1-4-13(3)10(2)12(14)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3",LOQPFJRCXJZNQV-UHFFFAOYSA-N,C12H17NO,191.27,191.1310142,2.4,20.3,185,0,0,2,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-TERT-BUTYLSTYRENE,001746-23-2,15627,1-tert-butyl-4-ethenylbenzene,CC(C)(C)C1=CC=C(C=C1)C=C,"InChI=1S/C12H16/c1-5-10-6-8-11(9-7-10)12(2,3)4/h5-9H,1H2,2-4H3",QEDJMOONZLUIMC-UHFFFAOYSA-N,C12H16,160.25,160.1252005,4.4,0,142,0,0,0,2,12,,,1,0,0,0,1,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
"1,3,5-TRIISOPROPYLBENZENE",000717-74-8,12860,"1,3,5-tri(propan-2-yl)benzene",CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C,"InChI=1S/C15H24/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h7-12H,1-6H3",VUMCUSHVMYIRMB-UHFFFAOYSA-N,C15H24,204.35,204.1878008,5.3,0,133,0,0,0,3,15,,,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRADECYLBENZENE,001459-10-5,15086,tetradecylbenzene,CCCCCCCCCCCCCCC1=CC=CC=C1,"InChI=1S/C20H34/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h13,15-16,18-19H,2-12,14,17H2,1H3",JZALLXAUNPOCEU-UHFFFAOYSA-N,C20H34,274.5,274.2660511,9.9,0,178,0,0,0,13,20,,"678 °F at 760 mmHg (USCG, 1999)",0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1-METHYL-4-(1-METHYLETHENYL)-",001195-32-0,62385,1-methyl-4-prop-1-en-2-ylbenzene,CC1=CC=C(C=C1)C(=C)C,"InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3",MMSLOZQEMPDGPI-UHFFFAOYSA-N,C10H12,132.2,132.0939004,3.7,0,116,0,0,0,1,10,,186.00 to 189.00 °C. @ 760.00 mm Hg,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1-METHYL-4-(1-METHYLETHYL)-2-(1-PROPENYL)-",014374-92-6,84398,1-methyl-4-propan-2-yl-2-prop-1-enylbenzene,CC=CC1=C(C=CC(=C1)C(C)C)C,"InChI=1S/C13H18/c1-5-6-13-9-12(10(2)3)8-7-11(13)4/h5-10H,1-4H3",IRICXAFZMINCTB-UHFFFAOYSA-N,C13H18,174.28,174.1408506,4.4,0,167,0,0,0,2,13,,,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, TETRAPROPYLENE-",025265-78-5,91365,"1,2,3,5-tetrapropylbenzene",CCCC1=CC(=C(C(=C1)CCC)CCC)CCC,"InChI=1S/C18H30/c1-5-9-15-13-16(10-6-2)18(12-8-4)17(14-15)11-7-3/h13-14H,5-12H2,1-4H3",NYIQECIYDUSNRC-UHFFFAOYSA-N,C18H30,246.4,246.234751,7.3,0,180,0,0,0,8,18,,,0,0,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
M-DIISOPROPYLBENZENE,000099-62-7,7450,"1,3-di(propan-2-yl)benzene",CC(C)C1=CC(=CC=C1)C(C)C,"InChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3",UNEATYXSUBPPKP-UHFFFAOYSA-N,C12H18,162.27,162.1408506,4.8,0,110,0,0,0,2,12,,203.2 °C @ 760 MM HG,1,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ETHYL P-HYDROXYBENZOATE,000120-47-8,8434,ethyl 4-hydroxybenzoate,CCOC(=O)C1=CC=C(C=C1)O,"InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3",NUVBSKCKDOMJSU-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,2.5,46.5,148,0,1,3,3,12,,297-298 °C (decomposition),0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
DIISOPROPYLBENZENE,025321-09-9,11345,"1,2-di(propan-2-yl)benzene",CC(C)C1=CC=CC=C1C(C)C,"InChI=1S/C12H18/c1-9(2)11-7-5-6-8-12(11)10(3)4/h5-10H,1-4H3",OKIRBHVFJGXOIS-UHFFFAOYSA-N,C12H18,162.27,162.1408506,4.2,0,108,0,0,0,2,12,77 °C,205 °C,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,1,0,1,0
3-NITROBENZOYL CHLORIDE,000121-90-4,8495,3-nitrobenzoyl chloride,C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)Cl,InChI=1S/C7H4ClNO3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4H,NXTNASSYJUXJDV-UHFFFAOYSA-N,C7H4ClNO3,185.56,184.9879707,2.8,62.9,201,0,0,3,1,12,"greater than 233.6 °F (NTP, 1992)","527 to 532 °F at 760 mmHg (NTP, 1992)",0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PHENYLETHYLTRICHLOROSILANE,000940-41-0,70327,trichloro(2-phenylethyl)silane,C1=CC=C(C=C1)CC[Si](Cl)(Cl)Cl,"InChI=1S/C8H9Cl3Si/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2",FMYXZXAKZWIOHO-UHFFFAOYSA-N,C8H9Cl3Si,239.6,237.95391,,0,127,0,0,0,2,12,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PHENYLTRIMETHYLAMMONIUM IODIDE,000098-04-4,94135,trimethyl(phenyl)azanium iodide,C[N+](C)(C)C1=CC=CC=C1.[I-],"InChI=1S/C9H14N.HI/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1",KKLAORVGAKUOPZ-UHFFFAOYSA-M,C9H14IN,263.12,263.0171,,0,95,0,0,1,1,11,,,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ISOPHTHALOYL CHLORIDE,000099-63-8,7451,"benzene-1,3-dicarbonyl chloride",C1=CC(=CC(=C1)C(=O)Cl)C(=O)Cl,InChI=1S/C8H4Cl2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H,FDQSRULYDNDXQB-UHFFFAOYSA-N,C8H4Cl2O2,203.02,201.9588348,3.6,34.1,183,0,0,2,2,12,356 °F OC,276 °C,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANENITRILE, 3-(ETHYLPHENYLAMINO)-",000148-87-8,8995,3-(N-ethylanilino)propanenitrile,CCN(CCC#N)C1=CC=CC=C1,"InChI=1S/C11H14N2/c1-2-13(10-6-9-12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,10H2,1H3",WYRNRZQRKCXPLA-UHFFFAOYSA-N,C11H14N2,174.24,174.1156985,2.6,27,174,0,0,2,4,13,,,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANETHIOAMIDE, N-PHENYL-",000637-53-6,820777,N-phenylethanethioamide,CC(=S)NC1=CC=CC=C1,"InChI=1S/C8H9NS/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)",MWCGLTCRJJFXKR-UHFFFAOYSA-N,C8H9NS,151.23,151.0455705,1.7,44.1,116,0,1,1,1,10,,,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEACETIC ACID, 4-CHLORO-",001878-66-6,15880,2-(4-chlorophenyl)acetic acid,C1=CC(=CC=C1CC(=O)O)Cl,"InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)",CDPKJZJVTHSESZ-UHFFFAOYSA-N,C8H7ClO2,170.59,170.0134572,2.1,37.3,139,0,1,2,2,11,,,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHENYLTRICHLOROSILANE,000098-13-5,7372,trichloro(phenyl)silane,C1=CC=C(C=C1)[Si](Cl)(Cl)Cl,"InChI=1S/C6H5Cl3Si/c7-10(8,9)6-4-2-1-3-5-6/h1-5H",ORVMIVQULIKXCP-UHFFFAOYSA-N,C6H5Cl3Si,211.5,209.92261,,0,104,0,0,0,0,10,"196 °F (EPA, 1998)","395 °F at 760 mmHg (EPA, 1998)",0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-NITROBENZOYL CHLORIDE,000122-04-3,8502,4-nitrobenzoyl chloride,C1=CC(=CC=C1C(=O)Cl)[N+](=O)[O-],InChI=1S/C7H4ClNO3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H,SKDHHIUENRGTHK-UHFFFAOYSA-N,C7H4ClNO3,185.56,184.9879707,2.9,62.9,193,0,0,3,1,12,,"396 to 401 °F at 105 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
O-AMINOBENZENESULFONIC ACID,000088-21-1,6926,2-aminobenzenesulfonic acid,C1=CC=C(C(=C1)N)S(=O)(=O)O,"InChI=1S/C6H7NO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H,8,9,10)",ZMCHBSMFKQYNKA-UHFFFAOYSA-N,C6H7NO3S,173.19,173.0146643,0.4,88.8,218,0,2,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ALPHA,ALPHA'-DIBROMO-META-XYLENE",000626-15-3,69373,"1,3-bis(bromomethyl)benzene",C1=CC(=CC(=C1)CBr)CBr,"InChI=1S/C8H8Br2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2",OXHOPZLBSSTTBU-UHFFFAOYSA-N,C8H8Br2,263.96,263.89723,3.1,0,83,0,0,0,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
2-MESITYLENESULFONYL CHLORIDE,000773-64-8,13046,"2,4,6-trimethylbenzenesulfonyl chloride",CC1=CC(=C(C(=C1)C)S(=O)(=O)Cl)C,"InChI=1S/C9H11ClO2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3H3",PVJZBZSCGJAWNG-UHFFFAOYSA-N,C9H11ClO2S,218.7,218.0168285,3,42.5,256,0,0,2,1,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
P-NITROBENZENESULFONYL CHLORIDE,000098-74-8,7404,4-nitrobenzenesulfonyl chloride,C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)Cl,"InChI=1S/C6H4ClNO4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H",JXRGUPLJCCDGKG-UHFFFAOYSA-N,C6H4ClNO4S,221.62,220.9549565,2.1,88.3,283,0,0,4,1,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
2-NITROBENZYL BROMIDE,003958-60-9,77569,1-(bromomethyl)-2-nitrobenzene,C1=CC=C(C(=C1)CBr)[N+](=O)[O-],"InChI=1S/C7H6BrNO2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2",HXBMIQJOSHZCFX-UHFFFAOYSA-N,C7H6BrNO2,216.03,214.95819,2.7,45.8,146,0,0,2,1,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ALPHA,ALPHA,ALPHA',ALPHA'-TETRABROMO-O-XYLENE",013209-15-9,83234,"1,2-bis(dibromomethyl)benzene",C1=CC=C(C(=C1)C(Br)Br)C(Br)Br,"InChI=1S/C8H6Br4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,7-8H",LNAOKZKISWEZNY-UHFFFAOYSA-N,C8H6Br4,421.75,421.7162,4.8,0,119,0,0,0,2,12,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-NITROBENZOYL CHLORIDE,000610-14-0,11875,2-nitrobenzoyl chloride,C1=CC=C(C(=C1)C(=O)Cl)[N+](=O)[O-],InChI=1S/C7H4ClNO3/c8-7(10)5-3-1-2-4-6(5)9(11)12/h1-4H,BWWHTIHDQBHTHP-UHFFFAOYSA-N,C7H4ClNO3,185.56,184.9879707,2.4,62.9,201,0,0,3,1,12,,"527 to 532 °F at 760 mmHg ; 306-309 °F at 18 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
3-BROMOBENZOYL CHLORIDE,001711-09-7,74377,3-bromobenzoyl chloride,C1=CC(=CC(=C1)Br)C(=O)Cl,InChI=1S/C7H4BrClO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,PBOOZQFGWNZNQE-UHFFFAOYSA-N,C7H4BrClO,219.46,217.91341,3.9,17.1,138,0,0,1,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
2-BROMOBENZOYL CHLORIDE,007154-66-7,23542,2-bromobenzoyl chloride,C1=CC=C(C(=C1)C(=O)Cl)Br,InChI=1S/C7H4BrClO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,NZCKTGCKFJDGFD-UHFFFAOYSA-N,C7H4BrClO,219.46,217.91341,3.2,17.1,138,0,0,1,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ALPHA,ALPHA'-DIBROMO-P-XYLENE",000623-24-5,69335,"1,4-bis(bromomethyl)benzene",C1=CC(=CC=C1CBr)CBr,"InChI=1S/C8H8Br2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6H2",RBZMSGOBSOCYHR-UHFFFAOYSA-N,C8H8Br2,263.96,263.89723,3,0,73,0,0,0,2,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
4-PROPYLPHENOL,000645-56-7,12580,4-propylphenol,CCCC1=CC=C(C=C1)O,"InChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3",KLSLBUSXWBJMEC-UHFFFAOYSA-N,C9H12O,136.19,136.088815,3.2,20.2,82,0,1,1,2,10,,232.00 to 233.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
P-PENTYLPHENOL,014938-35-3,26975,4-pentylphenol,CCCCCC1=CC=C(C=C1)O,"InChI=1S/C11H16O/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9,12H,2-5H2,1H3",ZNPSUQQXTRRSBM-UHFFFAOYSA-N,C11H16O,164.24,164.1201151,3.7,20.2,104,0,1,1,4,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
4-NITROBENZYL BROMIDE,000100-11-8,66011,1-(bromomethyl)-4-nitrobenzene,C1=CC(=CC=C1CBr)[N+](=O)[O-],"InChI=1S/C7H6BrNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2",VOLRSQPSJGXRNJ-UHFFFAOYSA-N,C7H6BrNO2,216.03,214.95819,2.7,45.8,138,0,0,2,1,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,3,5-TRIMETHYLPHENOL",000697-82-5,12769,"2,3,5-trimethylphenol",CC1=CC(=C(C(=C1)O)C)C,"InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3",OGRAOKJKVGDSFR-UHFFFAOYSA-N,C9H12O,136.19,136.088815,2.7,20.2,111,0,1,1,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ALPHA,ALPHA,ALPHA',ALPHA'-TETRABROMO-M-XYLENE",036323-28-1,37418,"1,3-bis(dibromomethyl)benzene",C1=CC(=CC(=C1)C(Br)Br)C(Br)Br,"InChI=1S/C8H6Br4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,7-8H",ZMCUKNMLHBAGMS-UHFFFAOYSA-N,C8H6Br4,421.75,421.7162,4.8,0,121,0,0,0,2,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
2-NITROBENZYL CHLORIDE,000612-23-7,11921,1-(chloromethyl)-2-nitrobenzene,C1=CC=C(C(=C1)CCl)[N+](=O)[O-],"InChI=1S/C7H6ClNO2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2",BXCBUWKTXLWPSB-UHFFFAOYSA-N,C7H6ClNO2,171.58,171.0087061,2.5,45.8,146,0,0,2,1,11,"greater than 235 °F (NTP, 1992)",,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0
4-CHLORO-2-METHYLPHENOL,001570-64-5,14855,4-chloro-2-methylphenol,CC1=C(C=CC(=C1)Cl)O,"InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3",RHPUJHQBPORFGV-UHFFFAOYSA-N,C7H7ClO,142.58,142.0185425,2.8,20.2,94,0,1,1,0,9,"greater than 235 °F (NTP, 1992)","432 to 437 °F at 760 mmHg (NTP, 1992)",1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"3,5-DINITROBENZOYL CHLORIDE",000099-33-2,7432,"3,5-dinitrobenzoyl chloride",C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)Cl,InChI=1S/C7H3ClN2O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H,NNOHXABAQAGKRZ-UHFFFAOYSA-N,C7H3ClN2O5,230.56,229.9730489,2.5,109,275,0,0,5,1,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PHENYLACETYL CHLORIDE,000103-80-0,7679,2-phenylacetyl chloride,C1=CC=C(C=C1)CC(=O)Cl,"InChI=1S/C8H7ClO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2",VMZCDNSFRSVYKQ-UHFFFAOYSA-N,C8H7ClO,154.59,154.0185425,2.4,17.1,116,0,0,1,2,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
4-NITROBENZYL CHLOROFORMATE,004457-32-3,78205,(4-nitrophenyl)methyl carbonochloridate,C1=CC(=CC=C1COC(=O)Cl)[N+](=O)[O-],"InChI=1S/C8H6ClNO4/c9-8(11)14-5-6-1-3-7(4-2-6)10(12)13/h1-4H,5H2",MHSGOABISYIYKP-UHFFFAOYSA-N,C8H6ClNO4,215.59,214.9985354,2.8,72.1,220,0,0,4,3,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
4-ETHYLBENZENESULFONIC ACID,000098-69-1,7402,4-ethylbenzenesulfonic acid,CCC1=CC=C(C=C1)S(=O)(=O)O,"InChI=1S/C8H10O3S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H,9,10,11)",BRIXOPDYGQCZFO-UHFFFAOYSA-N,C8H10O3S,186.23,186.0350654,1.5,62.8,219,0,1,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-BROMO-4'-METHOXYACETOPHENONE,002632-13-5,4965,2-bromo-1-(4-methoxyphenyl)ethanone,COC1=CC=C(C=C1)C(=O)CBr,"InChI=1S/C9H9BrO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H3",XQJAHBHCLXUGEP-UHFFFAOYSA-N,C9H9BrO2,229.07,227.97859,2.5,26.3,151,0,0,2,3,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMO-4'-NITROACETOPHENONE,000099-81-0,66840,2-bromo-1-(4-nitrophenyl)ethanone,C1=CC(=CC=C1C(=O)CBr)[N+](=O)[O-],"InChI=1S/C8H6BrNO3/c9-5-8(11)6-1-3-7(4-2-6)10(12)13/h1-4H,5H2",MBUPVGIGAMCMBT-UHFFFAOYSA-N,C8H6BrNO3,244.04,242.95311,2.3,62.9,206,0,0,3,2,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
4-METHYL-3-NITROBENZYL CHLORIDE,084540-59-0,597730,4-(chloromethyl)-1-methyl-2-nitrobenzene,CC1=C(C=C(C=C1)CCl)[N+](=O)[O-],"InChI=1S/C8H8ClNO2/c1-6-2-3-7(5-9)4-8(6)10(11)12/h2-4H,5H2,1H3",DLTKEOYTIZIUKD-UHFFFAOYSA-N,C8H8ClNO2,185.61,185.0243562,2.5,45.8,169,0,0,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CHLOROPHENYL ISOCYANATE,003320-83-0,76833,1-chloro-2-isocyanatobenzene,C1=CC=C(C(=C1)N=C=O)Cl,InChI=1S/C7H4ClNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H,NOHQUGRVHSJYMR-UHFFFAOYSA-N,C7H4ClNO,153.56,152.9981414,3.4,29.4,154,0,0,2,1,10,,,1,0,1,0,0,0,1,1,0,0,0,0,0,0,1,0,1,1,0,0
PENTAFLUOROBENZYL BROMIDE,001765-40-8,74484,"1-(bromomethyl)-2,3,4,5,6-pentafluorobenzene",C(C1=C(C(=C(C(=C1F)F)F)F)F)Br,InChI=1S/C7H2BrF5/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h1H2,XDEPVFFKOVDUNO-UHFFFAOYSA-N,C7H2BrF5,260.99,259.926,3,0,162,0,0,5,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMOBENZYL BROMIDE,003433-80-5,76965,1-bromo-2-(bromomethyl)benzene,C1=CC=C(C(=C1)CBr)Br,"InChI=1S/C7H6Br2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2",LZSYGJNFCREHMD-UHFFFAOYSA-N,C7H6Br2,249.93,249.88158,3.2,0,83,0,0,0,1,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
3-BROMOBENZYL BROMIDE,000823-78-9,69979,1-bromo-3-(bromomethyl)benzene,C1=CC(=CC(=C1)Br)CBr,"InChI=1S/C7H6Br2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2",ZPCJPJQUVRIILS-UHFFFAOYSA-N,C7H6Br2,249.93,249.88158,3.5,0,83,0,0,0,1,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CHLORODIMETHYLPHENYLSILANE,000768-33-2,13029,chloro-dimethyl-phenylsilane,C[Si](C)(C1=CC=CC=C1)Cl,"InChI=1S/C8H11ClSi/c1-10(2,9)8-6-4-3-5-7-8/h3-7H,1-2H3",KWYZNESIGBQHJK-UHFFFAOYSA-N,C8H11ClSi,170.71,170.0318546,,0,106,0,0,0,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ALPHA-TOLUENESULFONYL CHLORIDE,001939-99-7,74740,phenylmethanesulfonyl chloride,C1=CC=C(C=C1)CS(=O)(=O)Cl,"InChI=1S/C7H7ClO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2",OAHKWDDSKCRNFE-UHFFFAOYSA-N,C7H7ClO2S,190.65,189.9855283,1.6,42.5,199,0,0,2,2,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"3,5-DI-TERT-BUTYLPHENOL",001138-52-9,70825,"3,5-ditert-butylphenol",CC(C)(C)C1=CC(=CC(=C1)O)C(C)(C)C,"InChI=1S/C14H22O/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9,15H,1-6H3",ZDWSNKPLZUXBPE-UHFFFAOYSA-N,C14H22O,206.32,206.1670653,4.9,20.2,184,0,1,1,2,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
3-(CHLOROMETHYL)BENZOYL CHLORIDE,063024-77-1,2733324,3-(chloromethyl)benzoyl chloride,C1=CC(=CC(=C1)C(=O)Cl)CCl,"InChI=1S/C8H6Cl2O/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2",YCAIYRWHKSJKEB-UHFFFAOYSA-N,C8H6Cl2O,189.04,187.9795702,3,17.1,147,0,0,1,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-METHOXYBENZYL CHLORIDE,000824-94-2,69993,1-(chloromethyl)-4-methoxybenzene,COC1=CC=C(C=C1)CCl,"InChI=1S/C8H9ClO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3",MOHYOXXOKFQHDC-UHFFFAOYSA-N,C8H9ClO,156.61,156.0341926,2.4,9.2,87,0,0,1,2,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ALPHA-BROMOTOLUIC ACID,006232-88-8,22599,4-(bromomethyl)benzoic acid,C1=CC(=CC=C1CBr)C(=O)O,"InChI=1S/C8H7BrO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)",CQQSQBRPAJSTFB-UHFFFAOYSA-N,C8H7BrO2,215.04,213.96294,2.4,37.3,139,0,1,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4,5-TRIMETHYLPHENOL",000527-54-8,10696,"3,4,5-trimethylphenol",CC1=CC(=CC(=C1C)C)O,"InChI=1S/C9H12O/c1-6-4-9(10)5-7(2)8(6)3/h4-5,10H,1-3H3",FDQQNNZKEJIHMS-UHFFFAOYSA-N,C9H12O,136.19,136.088815,3,20.2,99,0,1,1,0,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
1-(BROMOMETHYL)-3-NITROBENZENE,003958-57-4,77568,1-(bromomethyl)-3-nitrobenzene,C1=CC(=CC(=C1)[N+](=O)[O-])CBr,"InChI=1S/C7H6BrNO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2",LNWXALCHPJANMJ-UHFFFAOYSA-N,C7H6BrNO2,216.03,214.95819,2.7,45.8,146,0,0,2,1,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BENZENEDISULFONYL DICHLORIDE",000585-47-7,96240,"benzene-1,3-disulfonyl chloride",C1=CC(=CC(=C1)S(=O)(=O)Cl)S(=O)(=O)Cl,"InChI=1S/C6H4Cl2O4S2/c7-13(9,10)5-2-1-3-6(4-5)14(8,11)12/h1-4H",ALIQZUMMPOYCIS-UHFFFAOYSA-N,C6H4Cl2O4S2,275.1,273.8928063,2.4,85,351,0,0,4,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0
"3,5-DINITROBENZYL CHLORIDE",074367-78-5,94673,"1-(chloromethyl)-3,5-dinitrobenzene",C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CCl,"InChI=1S/C7H5ClN2O4/c8-4-5-1-6(9(11)12)3-7(2-5)10(13)14/h1-3H,4H2",SMJODKZAFKWUJG-UHFFFAOYSA-N,C7H5ClN2O4,216.58,215.9937843,2,91.6,215,0,0,4,1,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM BENZENETHIOLATE,000930-69-8,4110039,sodium benzenethiolate,C1=CC=C(C=C1)[S-].[Na+],"InChI=1S/C6H6S.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1",RZWQDAUIUBVCDD-UHFFFAOYSA-M,C6H5NaS,132.16,132.0009656,,1,50,0,0,1,0,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
4-TERT-BUTYLBENZOYL CHLORIDE,001710-98-1,74372,4-tert-butylbenzoyl chloride,CC(C)(C)C1=CC=C(C=C1)C(=O)Cl,"InChI=1S/C11H13ClO/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3",WNLMYNASWOULQY-UHFFFAOYSA-N,C11H13ClO,196.67,196.0654927,4.8,17.1,185,0,0,1,2,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
4-TERT-BUTYLBENZENESULFONYL CHLORIDE,015084-51-2,139882,4-tert-butylbenzenesulfonyl chloride,CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)Cl,"InChI=1S/C10H13ClO2S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3",YEZADZMMVHWFIY-UHFFFAOYSA-N,C10H13ClO2S,232.73,232.0324785,3.6,42.5,276,0,0,2,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-NITROPHENYL CHLOROFORMATE,007693-46-1,82129,(4-nitrophenyl) carbonochloridate,C1=CC(=CC=C1[N+](=O)[O-])OC(=O)Cl,InChI=1S/C7H4ClNO4/c8-7(10)13-6-3-1-5(2-4-6)9(11)12/h1-4H,NXLNNXIXOYSCMB-UHFFFAOYSA-N,C7H4ClNO4,201.56,200.9828853,2.6,72.1,207,0,0,4,2,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
CHLORODIMETHYL(2-PHENYLETHYL)SILANE,017146-08-6,86970,chloro-dimethyl-(2-phenylethyl)silane,C[Si](C)(CCC1=CC=CC=C1)Cl,"InChI=1S/C10H15ClSi/c1-12(2,11)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3",SBBQHOJYUBTWCW-UHFFFAOYSA-N,C10H15ClSi,198.76,198.0631547,,0,128,0,0,0,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,4,6-TRIISOPROPYLBENZENESULFONYL CHLORIDE",006553-96-4,81042,"2,4,6-tri(propan-2-yl)benzenesulfonyl chloride",CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)Cl)C(C)C,"InChI=1S/C15H23ClO2S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3",JAPYIBBSTJFDAK-UHFFFAOYSA-N,C15H23ClO2S,302.9,302.1107288,5.3,42.5,363,0,0,2,4,19,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,6-DICHLOROBENZALDEHYDE",000083-38-5,6737,"2,6-dichlorobenzaldehyde",C1=CC(=C(C(=C1)Cl)C=O)Cl,InChI=1S/C7H4Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-4H,DMIYKWPEFRFTPY-UHFFFAOYSA-N,C7H4Cl2O,175.01,173.9639201,2.6,17.1,117,0,0,1,1,10,"275 °F (NTP, 1992)","329 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
VINYLPHENYLMETHYLCHLOROSILANE,017306-05-7,87042,chloro-ethenyl-methyl-phenylsilane,C[Si](C=C)(C1=CC=CC=C1)Cl,"InChI=1S/C9H11ClSi/c1-3-11(2,10)9-7-5-4-6-8-9/h3-8H,1H2,2H3",GSXJAPJSIVGONK-UHFFFAOYSA-N,C9H11ClSi,182.72,182.0318546,,0,140,0,0,0,2,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
P-XYLYLENEDIAMINE,000539-48-0,68315,[4-(aminomethyl)phenyl]methanamine,C1=CC(=CC=C1CN)CN,"InChI=1S/C8H12N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6,9-10H2",ISKQADXMHQSTHK-UHFFFAOYSA-N,C8H12N2,136.19,136.1000484,-0.4,52,73,0,2,2,2,10,81 °F,446 °F,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
4-BROMOBENZENEDIAZONIUM TETRAFLUOROBORATE,000673-40-5,2734810,4-bromobenzenediazonium tetrafluoroborate,[B-](F)(F)(F)F.C1=CC(=CC=C1[N+]#N)Br,"InChI=1S/C6H4BrN2.BF4/c7-5-1-3-6(9-8)4-2-5;2-1(3,4)5/h1-4H;/q+1;-1",FXTCQUCYDJZGGU-UHFFFAOYSA-N,C6H4BBrF4N2,270.82,269.9587,,28.2,148,0,0,6,0,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
N-BENZYLETHANOLAMINE,000104-63-2,4348,2-(benzylamino)ethanol,C1=CC=C(C=C1)CNCCO,"InChI=1S/C9H13NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2",XNIOWJUQPMKCIJ-UHFFFAOYSA-N,C9H13NO,151.21,151.099714,0.8,32.3,89,0,2,2,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
BENZYLPHOSPHONIC ACID,006881-57-8,81312,benzylphosphonic acid,C1=CC=C(C=C1)CP(=O)(O)O,"InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)",OGBVRMYSNSKIEF-UHFFFAOYSA-N,C7H9O3P,172.12,172.0289311,-0.1,57.5,157,0,2,3,2,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"4,5-DIMETHOXY-2-NITROBENZYL CHLOROFORMAT E",042855-00-5,3084878,"(4,5-dimethoxy-2-nitrophenyl)methyl carbonochloridate",COC1=C(C=C(C(=C1)COC(=O)Cl)[N+](=O)[O-])OC,"InChI=1S/C10H10ClNO6/c1-16-8-3-6(5-18-10(11)13)7(12(14)15)4-9(8)17-2/h3-4H,5H2,1-2H3",RWWPKIOWBQFXEE-UHFFFAOYSA-N,C10H10ClNO6,275.64,275.0196647,2.4,90.6,307,0,0,6,5,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,6-DIMETHOXYBENZOYL CHLORIDE",001989-53-3,74810,"2,6-dimethoxybenzoyl chloride",COC1=C(C(=CC=C1)OC)C(=O)Cl,"InChI=1S/C9H9ClO3/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3",NDXRPDJVAUCBOH-UHFFFAOYSA-N,C9H9ClO3,200.62,200.0240218,1.6,35.5,172,0,0,3,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3,4-DIMETHOXYBENZOYL CHLORIDE",003535-37-3,77070,"3,4-dimethoxybenzoyl chloride",COC1=C(C=C(C=C1)C(=O)Cl)OC,"InChI=1S/C9H9ClO3/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3",VIOBGCWEHLRBEP-UHFFFAOYSA-N,C9H9ClO3,200.62,200.0240218,2.6,35.5,184,0,0,3,3,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
4-(DIMETHYLAMINO)BENZOYL CHLORIDE,004755-50-4,4400782,4-(dimethylamino)benzoyl chloride,CN(C)C1=CC=C(C=C1)C(=O)Cl,"InChI=1S/C9H10ClNO/c1-11(2)8-5-3-7(4-6-8)9(10)12/h3-6H,1-2H3",UGJDXRVQCYBXAJ-UHFFFAOYSA-N,C9H10ClNO,183.63,183.0450916,2.8,20.3,162,0,0,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-AMINOBENZYLAMINE,004403-71-8,427814,4-(aminomethyl)aniline,C1=CC(=CC=C1CN)N,"InChI=1S/C7H10N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5,8-9H2",BFWYZZPDZZGSLJ-UHFFFAOYSA-N,C7H10N2,122.17,122.0843983,-0.5,52,75,0,2,2,1,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,5-BIS(BROMOMETHYL)-1-METHOXY-4-(2-ETHYLHEXYLOXY)BENZENE",209625-37-6,3645197,"1,4-bis(bromomethyl)-2-(2-ethylhexoxy)-5-methoxybenzene",CCCCC(CC)COC1=CC(=C(C=C1CBr)OC)CBr,"InChI=1S/C17H26Br2O2/c1-4-6-7-13(5-2)12-21-17-9-14(10-18)16(20-3)8-15(17)11-19/h8-9,13H,4-7,10-12H2,1-3H3",WFGYUUWEXFKLCS-UHFFFAOYSA-N,C17H26Br2O2,422.2,422.02791,6.1,18.5,263,0,0,2,10,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,5-DIAMINOBENZENESULPHONIC ACID",000088-45-9,66617,"2,5-diaminobenzenesulfonic acid",C1=CC(=C(C=C1N)S(=O)(=O)O)N,"InChI=1S/C6H8N2O3S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,7-8H2,(H,9,10,11)",HEAHMJLHQCESBZ-UHFFFAOYSA-N,C6H8N2O3S,188.21,188.0255633,-1,115,246,0,3,5,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-CHLOROBENZENESULFONYL CHLORIDE,000098-60-2,7398,4-chlorobenzenesulfonyl chloride,C1=CC(=CC=C1S(=O)(=O)Cl)Cl,"InChI=1S/C6H4Cl2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H",ZLYBFBAHAQEEQQ-UHFFFAOYSA-N,C6H4Cl2O2S,211.06,209.9309059,1.8,42.5,211,0,0,2,1,11,,141 °C @ 15 MM HG,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
4-METHYLBENZYLAMINE,000104-84-7,66035,(4-methylphenyl)methanamine,CC1=CC=C(C=C1)CN,"InChI=1S/C8H11N/c1-7-2-4-8(6-9)5-3-7/h2-5H,6,9H2,1H3",HMTSWYPNXFHGEP-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,1.3,26,72,0,1,1,1,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
4-FLUOROBENZOYL CHLORIDE,000403-43-0,67879,4-fluorobenzoyl chloride,C1=CC(=CC=C1C(=O)Cl)F,InChI=1S/C7H4ClFO/c8-7(10)5-1-3-6(9)4-2-5/h1-4H,CZKLEJHVLCMVQR-UHFFFAOYSA-N,C7H4ClFO,158.56,157.9934706,3.1,17.1,130,0,0,2,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,4-BIS(CHLOROMETHYL)-2,3,5,6-TETRAMETHYLBENZENE",003022-16-0,76402,"1,4-bis(chloromethyl)-2,3,5,6-tetramethylbenzene",CC1=C(C(=C(C(=C1CCl)C)C)CCl)C,"InChI=1S/C12H16Cl2/c1-7-8(2)12(6-14)10(4)9(3)11(7)5-13/h5-6H2,1-4H3",PGFAKOSRZYDFLR-UHFFFAOYSA-N,C12H16Cl2,231.16,230.0629059,4.2,0,145,0,0,0,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-METHOXY-4-VINYLPHENOL,007786-61-0,332,4-ethenyl-2-methoxyphenol,COC1=C(C=CC(=C1)C=C)O,"InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3",YOMSJEATGXXYPX-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,2.4,29.5,134,0,1,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(BROMOMETHYL)BENZONITRILE,017201-43-3,86996,4-(bromomethyl)benzonitrile,C1=CC(=CC=C1CBr)C#N,"InChI=1S/C8H6BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2",UMLFTCYAQPPZER-UHFFFAOYSA-N,C8H6BrN,196.04,194.96836,2.2,23.8,139,0,0,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,0
ALPHA-BROMOPHENYLACETIC ACID,004870-65-9,97919,2-bromo-2-phenylacetic acid,C1=CC=C(C=C1)C(C(=O)O)Br,"InChI=1S/C8H7BrO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)",WAKFRZBXTKUFIW-UHFFFAOYSA-N,C8H7BrO2,215.04,213.96294,2.3,37.3,141,0,1,2,2,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
(+)-ALPHA-METHOXY-ALPHA-TRIFLUOROMETHYLPHENYLACETYL CHLORIDE,020445-33-4,2724611,"(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride",CO[C@](C1=CC=CC=C1)(C(=O)Cl)C(F)(F)F,"InChI=1S/C10H8ClF3O2/c1-16-9(8(11)15,10(12,13)14)7-5-3-2-4-6-7/h2-6H,1H3/t9-/m1/s1",PAORVUMOXXAMPL-SECBINFHSA-N,C10H8ClF3O2,252.62,252.0164917,3.3,26.3,261,0,0,5,3,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"3,5-DIMETHOXYBENZYL BROMIDE",000877-88-3,1274490,"1-(bromomethyl)-3,5-dimethoxybenzene",COC1=CC(=CC(=C1)CBr)OC,"InChI=1S/C9H11BrO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5H,6H2,1-2H3",BTHIGJGJAPYFSJ-UHFFFAOYSA-N,C9H11BrO2,231.09,229.99424,2.4,18.5,118,0,0,2,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3,5-DIBROMOBENZYL BROMIDE",056908-88-4,143427,"1,3-dibromo-5-(bromomethyl)benzene",C1=C(C=C(C=C1Br)Br)CBr,"InChI=1S/C7H5Br3/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,4H2",PWTFRUXTAFBWBW-UHFFFAOYSA-N,C7H5Br3,328.83,327.79209,3.9,0,95,0,0,0,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
3-BROMOMETHYLPHENYLBORONIC ACID,051323-43-4,2773281,[3-(bromomethyl)phenyl]boronic acid,B(C1=CC(=CC=C1)CBr)(O)O,"InChI=1S/C7H8BBrO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,10-11H,5H2",ATRFDLFMCLYROQ-UHFFFAOYSA-N,C7H8BBrO2,214.85,213.98007,,40.5,121,0,2,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(TRIFLUOROMETHOXY)BENZYL BROMIDE,050824-05-0,142785,1-(bromomethyl)-4-(trifluoromethoxy)benzene,C1=CC(=CC=C1CBr)OC(F)(F)F,"InChI=1S/C8H6BrF3O/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2",JDNPUJCKXLOHOW-UHFFFAOYSA-N,C8H6BrF3O,255.03,253.95541,3.7,9.2,152,0,0,4,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3,5-TRIS(BROMOMETHYL)BENZENE",018226-42-1,530258,"1,3,5-tris(bromomethyl)benzene",C1=C(C=C(C=C1CBr)CBr)CBr,"InChI=1S/C9H9Br3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,4-6H2",GHITVUOBZBZMND-UHFFFAOYSA-N,C9H9Br3,356.88,355.82339,3.6,0,91,0,0,0,3,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
4-(CHLOROMETHYL)BENZYL ALCOHOL,016473-35-1,5107660,[4-(chloromethyl)phenyl]methanol,C1=CC(=CC=C1CO)CCl,"InChI=1S/C8H9ClO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,5-6H2",OGALXJIOJZXBBP-UHFFFAOYSA-N,C8H9ClO,156.61,156.0341926,1.6,20.2,87,0,1,1,2,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"3,5-DI-TERT-BUTYLBENZYL BROMIDE",062938-08-3,4447507,"1-(bromomethyl)-3,5-ditert-butylbenzene",CC(C)(C)C1=CC(=CC(=C1)CBr)C(C)(C)C,"InChI=1S/C15H23Br/c1-14(2,3)12-7-11(10-16)8-13(9-12)15(4,5)6/h7-9H,10H2,1-6H3",SNRYBGHMHAJTTM-UHFFFAOYSA-N,C15H23Br,283.25,282.09831,5.8,0,197,0,0,0,3,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,4,6-TRICHLOROBENZOYL CHLORIDE",004136-95-2,2733703,"2,4,6-trichlorobenzoyl chloride",C1=C(C=C(C(=C1Cl)C(=O)Cl)Cl)Cl,InChI=1S/C7H2Cl4O/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,OZGSEIVTQLXWRO-UHFFFAOYSA-N,C7H2Cl4O,243.9,243.883025,4.3,17.1,172,0,0,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-(TRIMETHYLSILYL)PHENYL TRIFLUOROMETHANESULFONATE,088284-48-4,3384007,(2-trimethylsilylphenyl) trifluoromethanesulfonate,C[Si](C)(C)C1=CC=CC=C1OS(=O)(=O)C(F)(F)F,"InChI=1S/C10H13F3O3SSi/c1-18(2,3)9-7-5-4-6-8(9)16-17(14,15)10(11,12)13/h4-7H,1-3H3",XBHPFCIWRHJDCP-UHFFFAOYSA-N,C10H13F3O3SSi,298.36,298.0306765,,51.8,381,0,0,6,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
3-IODOBENZYL BROMIDE,049617-83-6,2759361,1-(bromomethyl)-3-iodobenzene,C1=CC(=CC(=C1)I)CBr,"InChI=1S/C7H6BrI/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2",BACZSVQZBSCWIG-UHFFFAOYSA-N,C7H6BrI,296.93,295.86976,3.7,0,85,0,0,0,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PENTAFLUOROBENZENSULFONYL CHLORIDE,000832-53-1,70026,"2,3,4,5,6-pentafluorobenzenesulfonyl chloride",C1(=C(C(=C(C(=C1F)F)S(=O)(=O)Cl)F)F)F,"InChI=1S/C6ClF5O2S/c7-15(13,14)6-4(11)2(9)1(8)3(10)5(6)12",UOJCTEGNHXRPKO-UHFFFAOYSA-N,C6ClF5O2S,266.57,265.9227689,1.9,42.5,315,0,0,7,1,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
P-CYANOBENZENESULPHONYL CHLORIDE,049584-26-1,39497,4-cyanobenzenesulfonyl chloride,C1=CC(=CC=C1C#N)S(=O)(=O)Cl,"InChI=1S/C7H4ClNO2S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-4H",DBMFYTQPPBBKHI-UHFFFAOYSA-N,C7H4ClNO2S,201.63,200.9651272,1.7,66.3,289,0,0,3,1,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"2,4,6-TRIFLUOROBENZENESULFONYL CHLORIDE",220239-64-5,2776983,"2,4,6-trifluorobenzenesulfonyl chloride",C1=C(C=C(C(=C1F)S(=O)(=O)Cl)F)F,"InChI=1S/C6H2ClF3O2S/c7-13(11,12)6-4(9)1-3(8)2-5(6)10/h1-2H",XINCBNCLCIQIJM-UHFFFAOYSA-N,C6H2ClF3O2S,230.59,229.9416127,2.2,42.5,264,0,0,5,1,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,4-DIFLUOROBENZENESULFONYL CHLORIDE",0013918-92-8,2734273,"2,4-difluorobenzenesulfonyl chloride",C1=CC(=C(C=C1F)F)S(=O)(=O)Cl,"InChI=1S/C6H3ClF2O2S/c7-12(10,11)6-2-1-4(8)3-5(6)9/h1-3H",FJSAJUXIHJIAMD-UHFFFAOYSA-N,C6H3ClF2O2S,212.6,211.9510345,2.1,42.5,249,0,0,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ETHYL BROMOPHENYLACETATE,002882-19-1,97780,ethyl 2-bromo-2-phenylacetate,CCOC(=O)C(C1=CC=CC=C1)Br,"InChI=1S/C10H11BrO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3",BKTKLDMYHTUESO-UHFFFAOYSA-N,C10H11BrO2,243.1,241.99424,3,26.3,164,0,0,2,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
3-BROMO-4-FLUOROBENZOYL CHLORIDE,000672-75-3,69598,3-bromo-4-fluorobenzoyl chloride,C1=CC(=C(C=C1C(=O)Cl)Br)F,InChI=1S/C7H3BrClFO/c8-5-3-4(7(9)11)1-2-6(5)10/h1-3H,HPHZOCIBMCWXCQ-UHFFFAOYSA-N,C7H3BrClFO,237.45,235.90398,3.2,17.1,165,0,0,2,1,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
3-FORMYLPHENYLBORONIC ACID,087199-16-4,2734356,(3-formylphenyl)boronic acid,B(C1=CC(=CC=C1)C=O)(O)O,"InChI=1S/C7H7BO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5,10-11H",HJBGZJMKTOMQRR-UHFFFAOYSA-N,C7H7BO3,149.94,150.0488242,,57.5,138,0,2,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-FORMYLBENZENE-1-SULFONYL CHLORIDE,085822-16-8,2759210,4-formylbenzenesulfonyl chloride,C1=CC(=CC=C1C=O)S(=O)(=O)Cl,"InChI=1S/C7H5ClO3S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-5H",MSWSPWGBDIQKKR-UHFFFAOYSA-N,C7H5ClO3S,204.63,203.9647929,1.4,59.6,246,0,0,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
4-METHOXYBENZENESULFONYL CHLORIDE,000098-68-0,7401,4-methoxybenzenesulfonyl chloride,COC1=CC=C(C=C1)S(=O)(=O)Cl,"InChI=1S/C7H7ClO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3",DTJVECUKADWGMO-UHFFFAOYSA-N,C7H7ClO3S,206.65,205.9804429,1.5,51.8,224,0,0,3,2,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
4-METHOXYBENZYL BROMIDE,002746-25-0,165021,1-(bromomethyl)-4-methoxybenzene,COC1=CC=C(C=C1)CBr,"InChI=1S/C8H9BrO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3",GIGRWGTZFONRKA-UHFFFAOYSA-N,C8H9BrO,201.06,199.98368,2.5,9.2,87,0,0,1,2,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEETHANAMINE, 4-METHOXY-",000055-81-2,4657,2-(4-methoxyphenyl)ethanamine,COC1=CC=C(C=C1)CCN,"InChI=1S/C9H13NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3",LTPVSOCPYWDIFU-UHFFFAOYSA-N,C9H13NO,151.21,151.099714,1.6,35.3,97,0,1,2,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-BENZENEDISULFONIC ACID, 4-FORMYL-",000088-39-1,66614,"4-formylbenzene-1,3-disulfonic acid",C1=CC(=C(C=C1S(=O)(=O)O)S(=O)(=O)O)C=O,"InChI=1S/C7H6O7S2/c8-4-5-1-2-6(15(9,10)11)3-7(5)16(12,13)14/h1-4H,(H,9,10,11)(H,12,13,14)",PQYVGRGYAZDHFY-UHFFFAOYSA-N,C7H6O7S2,266.3,265.9554949,-1.1,143,452,0,2,7,3,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, 2-AMINO-5-METHYL-",000088-44-8,6934,2-amino-5-methylbenzenesulfonic acid,CC1=CC(=C(C=C1)N)S(=O)(=O)O,"InChI=1S/C7H9NO3S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)",LTPSRQRIPCVMKQ-UHFFFAOYSA-N,C7H9NO3S,187.22,187.0303143,0.9,88.8,244,0,2,4,1,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, 2,4-DINITRO-",000089-02-1,6959,"2,4-dinitrobenzenesulfonic acid",C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O,"InChI=1S/C6H4N2O7S/c9-7(10)4-1-2-6(16(13,14)15)5(3-4)8(11)12/h1-3H,(H,13,14,15)",OVOJUAKDTOOXRF-UHFFFAOYSA-N,C6H4N2O7S,248.17,247.9739216,0.5,154,389,0,1,7,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOYL CHLORIDE, 2,4-DICHLORO-",000089-75-8,66645,"2,4-dichlorobenzoyl chloride",C1=CC(=C(C=C1Cl)Cl)C(=O)Cl,InChI=1S/C7H3Cl3O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,CEOCVKWBUWKBKA-UHFFFAOYSA-N,C7H3Cl3O,209.5,207.924948,3.8,17.1,160,0,0,1,1,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEMETHANAMINE, 2-METHYL-",000089-93-0,6993,(2-methylphenyl)methanamine,CC1=CC=CC=C1CN,"InChI=1S/C8H11N/c1-7-4-2-3-5-8(7)6-9/h2-5H,6,9H2,1H3",CJAAPVQEZPAQNI-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,1.3,26,80,0,1,1,1,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEMETHANAMINE, 2-FLUORO-",000089-99-6,66649,(2-fluorophenyl)methanamine,C1=CC=C(C(=C1)CN)F,"InChI=1S/C7H8FN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2",LRFWYBZWRQWZIM-UHFFFAOYSA-N,C7H8FN,125.14,125.0640774,1.1,26,85,0,1,2,1,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ACETAMIDE, N-BUTYL-N-PHENYL-",000091-49-6,7051,N-butyl-N-phenylacetamide,CCCCN(C1=CC=CC=C1)C(=O)C,"InChI=1S/C12H17NO/c1-3-4-10-13(11(2)14)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3",ZWDZJRRQSXLOQR-UHFFFAOYSA-N,C12H17NO,191.27,191.1310142,2.5,20.3,173,0,0,1,4,14,286 °F CC,281 °C @ 760 MM HG,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, (1,2-DIBROMOETHYL)-",000093-52-7,7145,"1,2-dibromoethylbenzene",C1=CC=C(C=C1)C(CBr)Br,"InChI=1S/C8H8Br2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8H,6H2",SHKKTLSDGJRCTR-UHFFFAOYSA-N,C8H8Br2,263.96,263.89723,3.3,0,87,0,0,0,2,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHENOL, 2-(1,1-DIMETHYLETHYL)-4-ETHYL-",000096-70-8,7309,2-tert-butyl-4-ethylphenol,CCC1=CC(=C(C=C1)O)C(C)(C)C,"InChI=1S/C12H18O/c1-5-9-6-7-11(13)10(8-9)12(2,3)4/h6-8,13H,5H2,1-4H3",LZHCVNIARUXHAL-UHFFFAOYSA-N,C12H18O,178.27,178.1357652,4,20.2,157,0,1,1,2,13,,250 °C @ 760 MM HG,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, 2-CHLORO-5-NITRO-",000096-73-1,7310,2-chloro-5-nitrobenzenesulfonic acid,C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)Cl,"InChI=1S/C6H4ClNO5S/c7-5-2-1-4(8(9)10)3-6(5)14(11,12)13/h1-3H,(H,11,12,13)",GNTARUIZNIWBCN-UHFFFAOYSA-N,C6H4ClNO5S,237.62,236.9498711,1.1,109,318,0,1,5,1,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"BENZENESULFONYL CHLORIDE, 4-CHLORO-3-NITRO-",000097-08-5,7323,4-chloro-3-nitrobenzenesulfonyl chloride,C1=CC(=C(C=C1S(=O)(=O)Cl)[N+](=O)[O-])Cl,"InChI=1S/C6H3Cl2NO4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H",SEWNAJIUKSTYOP-UHFFFAOYSA-N,C6H3Cl2NO4S,256.06,254.9159841,2.3,88.3,320,0,0,4,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, 3-NITRO-",000098-47-5,7387,3-nitrobenzenesulfonic acid,C1=CC(=CC(=C1)S(=O)(=O)O)[N+](=O)[O-],"InChI=1S/C6H5NO5S/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,10,11,12)",ONMOULMPIIOVTQ-UHFFFAOYSA-N,C6H5NO5S,203.17,202.9888434,0,109,287,0,1,5,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONYL CHLORIDE, 4-IODO-",000098-61-3,7399,4-iodobenzenesulfonyl chloride,C1=CC(=CC=C1S(=O)(=O)Cl)I,"InChI=1S/C6H4ClIO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H",POXFXTSTVWDWIR-UHFFFAOYSA-N,C6H4ClIO2S,302.52,301.86653,3,42.5,213,0,0,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEMETHANAMINE, 3-FLUORO-",000100-82-3,66853,(3-fluorophenyl)methanamine,C1=CC(=CC(=C1)F)CN,"InChI=1S/C7H8FN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2",QVSVMNXRLWSNGS-UHFFFAOYSA-N,C7H8FN,125.14,125.0640774,1.2,26,85,0,1,2,1,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 4-(CHLOROMETHYL)-1,2-DIMETHYL-",000102-46-5,66018,"4-(chloromethyl)-1,2-dimethylbenzene",CC1=C(C=C(C=C1)CCl)C,"InChI=1S/C9H11Cl/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,6H2,1-2H3",UBQRAAXAHIKWRI-UHFFFAOYSA-N,C9H11Cl,154.63,154.054928,3,0,101,0,0,0,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1,2-DICHLORO-4-(CHLOROMETHYL)-",000102-47-6,7609,"1,2-dichloro-4-(chloromethyl)benzene",C1=CC(=C(C=C1CCl)Cl)Cl,"InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2",YZIFVWOCPGPNHB-UHFFFAOYSA-N,C7H5Cl3,195.5,193.945683,4,0,105,0,0,0,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEMETHANAMINE, 3,4-DIMETHYL-",000102-48-7,66888,"(3,4-dimethylphenyl)methanamine",CC1=C(C=C(C=C1)CN)C,"InChI=1S/C9H13N/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,6,10H2,1-2H3",PXNRCZQMDSDSHJ-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,1.5,26,101,0,1,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEMETHANAMINE, 3,4-DICHLORO-",000102-49-8,1608,"(3,4-dichlorophenyl)methanamine",C1=CC(=C(C=C1CN)Cl)Cl,"InChI=1S/C7H7Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2",IXHNFOOSLAWRBQ-UHFFFAOYSA-N,C7H7Cl2N,176.04,174.9955546,2.5,26,108,0,1,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1-(BROMOMETHYL)-4-METHYL-",000104-81-4,7721,1-(bromomethyl)-4-methylbenzene,CC1=CC=C(C=C1)CBr,"InChI=1S/C8H9Br/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3",WZRKSPFYXUXINF-UHFFFAOYSA-N,C8H9Br,185.06,183.98876,3,0,72,0,0,0,1,9,98  °C (208  °F) - closed cup,220 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, 5-AMINO-2-METHYL-",000118-88-7,67054,5-amino-2-methylbenzenesulfonic acid,CC1=C(C=C(C=C1)N)S(=O)(=O)O,"InChI=1S/C7H9NO3S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)",BRKFTWHPLMMNHF-UHFFFAOYSA-N,C7H9NO3S,187.22,187.0303143,0.4,88.8,244,0,2,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONYL CHLORIDE, 3-NITRO-",000121-51-7,8476,3-nitrobenzenesulfonyl chloride,C1=CC(=CC(=C1)S(=O)(=O)Cl)[N+](=O)[O-],"InChI=1S/C6H4ClNO4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H",MWWNNNAOGWPTQY-UHFFFAOYSA-N,C6H4ClNO4S,221.62,220.9549565,1.3,88.3,291,0,0,4,1,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
4-(ACETYLAMINO)BENZENESULFONYL CHLORIDE,000121-60-8,8481,4-acetamidobenzenesulfonyl chloride,CC(=O)NC1=CC=C(C=C1)S(=O)(=O)Cl,"InChI=1S/C8H8ClNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)",GRDXCFKBQWDAJH-UHFFFAOYSA-N,C8H8ClNO3S,233.67,232.991342,1.4,71.6,301,0,1,3,2,14,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONYL CHLORIDE, 2-METHYL-",000133-59-5,8623,2-methylbenzenesulfonyl chloride,CC1=CC=CC=C1S(=O)(=O)Cl,"InChI=1S/C7H7ClO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3",HDECRAPHCDXMIJ-UHFFFAOYSA-N,C7H7ClO2S,190.65,189.9855283,2.3,42.5,217,0,0,2,1,11,,154 °C AT 36 MM HG,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEMETHANAMINE, 4-FLUORO-",000140-75-0,67326,(4-fluorophenyl)methanamine,C1=CC(=CC=C1CN)F,"InChI=1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2",IIFVWLUQBAIPMJ-UHFFFAOYSA-N,C7H8FN,125.14,125.0640774,1.1,26,77,0,1,2,1,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 2,4-DICHLORO-1-(TRIFLUOROMETHYL)-",000320-60-5,9443,"2,4-dichloro-1-(trifluoromethyl)benzene",C1=CC(=C(C=C1Cl)Cl)C(F)(F)F,"InChI=1S/C7H3Cl2F3/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H",KALSHRGEFLVFHE-UHFFFAOYSA-N,C7H3Cl2F3,215,213.95639,4.2,0,157,0,0,3,0,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1-(DICHLOROMETHYL)-2-FLUORO-",000320-65-0,67575,1-(dichloromethyl)-2-fluorobenzene,C1=CC=C(C(=C1)C(Cl)Cl)F,"InChI=1S/C7H5Cl2F/c8-7(9)5-3-1-2-4-6(5)10/h1-4,7H",XFAFBKQDEPXWCS-UHFFFAOYSA-N,C7H5Cl2F,179.02,177.9752337,3.1,0,106,0,0,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONYL FLUORIDE, 3-NITRO-",000349-78-0,67683,3-nitrobenzenesulfonyl fluoride,C1=CC(=CC(=C1)S(=O)(=O)F)[N+](=O)[O-],"InChI=1S/C6H4FNO4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H",CWFLJNDQTKMBAM-UHFFFAOYSA-N,C6H4FNO4S,205.17,204.9845069,1,88.3,291,0,0,5,1,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1-IODO-2-(TRIFLUOROMETHYL)-",000444-29-1,67957,1-iodo-2-(trifluoromethyl)benzene,C1=CC=C(C(=C1)C(F)(F)F)I,"InChI=1S/C7H4F3I/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H",IGZGUYVVBABKOY-UHFFFAOYSA-N,C7H4F3I,272.01,271.93098,3.5,0,132,0,0,3,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOYL CHLORIDE, 3-(FLUOROSULFONYL)-",000454-93-3,67991,3-fluorosulfonylbenzoyl chloride,C1=CC(=CC(=C1)S(=O)(=O)F)C(=O)Cl,"InChI=1S/C7H4ClFO3S/c8-7(10)5-2-1-3-6(4-5)13(9,11)12/h1-4H",ZYZOMPZZWUWKLH-UHFFFAOYSA-N,C7H4ClFO3S,222.62,221.955371,2.1,59.6,295,0,0,4,2,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1-(BROMOMETHYL)-3-FLUORO-",000456-41-7,68007,1-(bromomethyl)-3-fluorobenzene,C1=CC(=CC(=C1)F)CBr,"InChI=1S/C7H6BrF/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2",SCBZBMXPJYMXRC-UHFFFAOYSA-N,C7H6BrF,189.02,187.96369,2.9,0,85,0,0,1,1,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 3-(1,1-DIMETHYLETHYL)-",000585-34-2,11450,3-tert-butylphenol,CC(C)(C)C1=CC(=CC=C1)O,"InChI=1S/C10H14O/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7,11H,1-3H3",CYEKUDPFXBLGHH-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,3.3,20.2,123,0,1,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONYL CHLORIDE, 2,4-DIMETHYL-",000609-60-9,69109,"2,4-dimethylbenzenesulfonyl chloride",CC1=CC(=C(C=C1)S(=O)(=O)Cl)C,"InChI=1S/C8H9ClO2S/c1-6-3-4-8(7(2)5-6)12(9,10)11/h3-5H,1-2H3",FREOGXBZEAMJQN-UHFFFAOYSA-N,C8H9ClO2S,204.67,204.0011784,2.6,42.5,242,0,0,2,1,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOYL CHLORIDE, 2-CHLORO-",000609-65-4,69110,2-chlorobenzoyl chloride,C1=CC=C(C(=C1)C(=O)Cl)Cl,InChI=1S/C7H4Cl2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,ONIKNECPXCLUHT-UHFFFAOYSA-N,C7H4Cl2O,175.01,173.9639201,3,17.1,136,0,0,1,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOYL CHLORIDE, 2-IODO-",000609-67-6,69112,2-iodobenzoyl chloride,C1=CC=C(C(=C1)C(=O)Cl)I,InChI=1S/C7H4ClIO/c8-7(10)5-3-1-2-4-6(5)9/h1-4H,MVIVDSWUOGNODP-UHFFFAOYSA-N,C7H4ClIO,266.46,265.89954,3.4,17.1,138,0,0,1,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
BENZOYL BROMIDE,000618-32-6,12056,benzoyl bromide,C1=CC=C(C=C1)C(=O)Br,InChI=1S/C7H5BrO/c8-7(9)6-4-2-1-3-5-6/h1-5H,AQIHMSVIAGNIDM-UHFFFAOYSA-N,C7H5BrO,185.02,183.95238,2.9,17.1,105,0,0,1,1,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-(CHLOROMETHYL)-3-NITRO-",000619-23-8,12078,1-(chloromethyl)-3-nitrobenzene,C1=CC(=CC(=C1)[N+](=O)[O-])CCl,"InChI=1S/C7H6ClNO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2",APGGSERFJKEWFG-UHFFFAOYSA-N,C7H6ClNO2,171.58,171.0087061,2.5,45.8,146,0,0,2,1,11,,"343 to 361 °F at 30-35 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1-ISOCYANATO-3-METHYL-",000621-29-4,69303,1-isocyanato-3-methylbenzene,CC1=CC(=CC=C1)N=C=O,"InChI=1S/C8H7NO/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3",CPPGZWWUPFWALU-UHFFFAOYSA-N,C8H7NO,133.15,133.0527638,3.5,29.4,149,0,0,2,1,10,,,1,0,1,0,0,0,1,1,0,0,0,0,0,0,1,0,1,1,0,1
BENZENEPROPANOYL CHLORIDE,000645-45-4,64801,3-phenylpropanoyl chloride,C1=CC=C(C=C1)CCC(=O)Cl,"InChI=1S/C9H9ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2",MFEILWXBDBCWKF-UHFFFAOYSA-N,C9H9ClO,168.62,168.0341926,2.8,17.1,128,0,0,1,3,11,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"SILANE, TRICHLORO(4-METHYLPHENYL)-",000701-35-9,69697,trichloro-(4-methylphenyl)silane,CC1=CC=C(C=C1)[Si](Cl)(Cl)Cl,"InChI=1S/C7H7Cl3Si/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3",WOMUGKOOLXQCTQ-UHFFFAOYSA-N,C7H7Cl3Si,225.6,223.93826,,0,124,0,0,0,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETYL CHLORIDE, PHENOXY-",000701-99-5,69703,2-phenoxyacetyl chloride,C1=CC=C(C=C1)OCC(=O)Cl,"InChI=1S/C8H7ClO2/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2",PKUPAJQAJXVUEK-UHFFFAOYSA-N,C8H7ClO2,170.59,170.0134572,2.3,26.3,130,0,0,2,3,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"SILANE, TRICHLORO(PHENYLMETHYL)-",000770-10-5,69863,benzyl(trichloro)silane,C1=CC=C(C=C1)C[Si](Cl)(Cl)Cl,"InChI=1S/C7H7Cl3Si/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2",GONOPSZTUGRENK-UHFFFAOYSA-N,C7H7Cl3Si,225.6,223.93826,,0,115,0,0,0,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHENOL, 2-(BROMOMETHYL)-4-NITRO-",000772-33-8,13044,2-(bromomethyl)-4-nitrophenol,C1=CC(=C(C=C1[N+](=O)[O-])CBr)O,"InChI=1S/C7H6BrNO3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,10H,4H2",KFDPCYZHENQOBV-UHFFFAOYSA-N,C7H6BrNO3,232.03,230.95311,1.8,66.1,171,0,1,3,1,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORODICHLORIDIC ACID, 4-NITROPHENYL ESTER",000777-52-6,69898,1-dichlorophosphoryloxy-4-nitrobenzene,C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(Cl)Cl,"InChI=1S/C6H4Cl2NO4P/c7-14(8,12)13-6-3-1-5(2-4-6)9(10)11/h1-4H",NCPBESHYZRJICR-UHFFFAOYSA-N,C6H4Cl2NO4P,255.98,254.9255,2.8,72.1,255,0,0,4,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 2-(CHLOROMETHYL)-1,4-DIMETHYL-",000824-45-3,69987,"2-(chloromethyl)-1,4-dimethylbenzene",CC1=CC(=C(C=C1)C)CCl,"InChI=1S/C9H11Cl/c1-7-3-4-8(2)9(5-7)6-10/h3-5H,6H2,1-2H3",PECXPZGFZFGDRD-UHFFFAOYSA-N,C9H11Cl,154.63,154.054928,3,0,101,0,0,0,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-BENZENEDIOL, 2,5-DICHLORO-",000824-69-1,65,"2,5-dichlorobenzene-1,4-diol",C1=C(C(=CC(=C1Cl)O)Cl)O,"InChI=1S/C6H4Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H",AYNPIRVEWMUJDE-UHFFFAOYSA-N,C6H4Cl2O2,179,177.9588348,2.7,40.5,106,0,2,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"SILANE, TRICHLORO(4-CHLOROPHENYL)-",000825-94-5,70002,trichloro-(4-chlorophenyl)silane,C1=CC(=CC=C1[Si](Cl)(Cl)Cl)Cl,"InChI=1S/C6H4Cl4Si/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H",ABADVTXFGWCNBV-UHFFFAOYSA-N,C6H4Cl4Si,246,245.880687,,0,125,0,0,0,0,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZALDEHYDE, 2,4-DICHLORO-",000874-42-0,13404,"2,4-dichlorobenzaldehyde",C1=CC(=C(C=C1Cl)Cl)C=O,InChI=1S/C7H4Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4H,YSFBEAASFUWWHU-UHFFFAOYSA-N,C7H4Cl2O,175.01,173.9639201,3,17.1,127,0,0,1,1,10,"275 °F (NTP, 1992)","451 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"SILANE, 1,4-PHENYLENEBIS[CHLORODIMETHYL-",001078-97-3,70650,chloro-[4-[chloro(dimethyl)silyl]phenyl]-dimethylsilane,C[Si](C)(C1=CC=C(C=C1)[Si](C)(C)Cl)Cl,"InChI=1S/C10H16Cl2Si2/c1-13(2,11)9-5-7-10(8-6-9)14(3,4)12/h5-8H,1-4H3",COFLYCFUVHLITN-UHFFFAOYSA-N,C10H16Cl2Si2,263.31,262.016759,,0,174,0,0,0,2,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANONE, 2,2-DICHLORO-1-(2,4,5-TRICHLOROPHENYL)-",001203-86-7,14554,"2,2-dichloro-1-(2,4,5-trichlorophenyl)ethanone",C1=C(C(=CC(=C1Cl)Cl)Cl)C(=O)C(Cl)Cl,"InChI=1S/C8H3Cl5O/c9-4-2-6(11)5(10)1-3(4)7(14)8(12)13/h1-2,8H",WKJXVVFAALGBOH-UHFFFAOYSA-N,C8H3Cl5O,292.4,291.859703,4.8,17.1,220,0,0,1,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEDIAZONIUM, 4-NITRO-, HEXAFLUOROPHOSPHATE(1-)",001514-52-9,164843,4-nitrobenzenediazonium hexafluorophosphate,C1=CC(=CC=C1[N+]#N)[N+](=O)[O-].F[P-](F)(F)(F)(F)F,"InChI=1S/C6H4N3O2.F6P/c7-8-5-1-3-6(4-2-5)9(10)11;1-7(2,3,4,5)6/h1-4H;/q+1;-1",PXRFUEAIZAOVBL-UHFFFAOYSA-N,C6H4F6N3O2P,295.08,294.9945324,,74,256,0,0,10,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONYL CHLORIDE, 2,4-DINITRO-",001656-44-6,74255,"2,4-dinitrobenzenesulfonyl chloride",C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)Cl,"InChI=1S/C6H3ClN2O6S/c7-16(14,15)6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H",SSFSNKZUKDBPIT-UHFFFAOYSA-N,C6H3ClN2O6S,266.62,265.9400347,1.7,134,393,0,0,6,1,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOYL CHLORIDE, 3-METHYL-",001711-06-4,74375,3-methylbenzoyl chloride,CC1=CC(=CC=C1)C(=O)Cl,"InChI=1S/C8H7ClO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3",YHOYYHYBFSYOSQ-UHFFFAOYSA-N,C8H7ClO,154.59,154.0185425,3.4,17.1,133,0,0,1,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"SILANE, CHLORODIMETHYL(PHENYLMETHYL)-",001833-31-4,15780,benzyl-chloro-dimethylsilane,C[Si](C)(CC1=CC=CC=C1)Cl,"InChI=1S/C9H13ClSi/c1-11(2,10)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3",ABHNFDUSOVXXOA-UHFFFAOYSA-N,C9H13ClSi,184.74,184.0475046,,0,117,0,0,0,2,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1-(CHLOROMETHYL)-4-(1-METHYLETHYL)-",002051-18-5,74916,1-(chloromethyl)-4-propan-2-ylbenzene,CC(C)C1=CC=C(C=C1)CCl,"InChI=1S/C10H13Cl/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,7H2,1-2H3",CYAKWEQUWJAHLW-UHFFFAOYSA-N,C10H13Cl,168.66,168.0705781,4.1,0,101,0,0,0,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHENOL, 2-(1,1-DIMETHYLETHYL)-6-METHYL-",002219-82-1,16678,2-tert-butyl-6-methylphenol,CC1=C(C(=CC=C1)C(C)(C)C)O,"InChI=1S/C11H16O/c1-8-6-5-7-9(10(8)12)11(2,3)4/h5-7,12H,1-4H3",BKZXZGWHTRCFPX-UHFFFAOYSA-N,C11H16O,164.24,164.1201151,3.6,20.2,146,0,1,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEMETHANAMINE, N-BUTYL-",002403-22-7,75467,N-benzylbutan-1-amine,CCCCNCC1=CC=CC=C1,"InChI=1S/C11H17N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3",HIPXPABRMMYVQD-UHFFFAOYSA-N,C11H17N,163.26,163.1360995,2.7,12,95,0,1,1,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOYL CHLORIDE, 3,4-DICHLORO-",003024-72-4,76403,"3,4-dichlorobenzoyl chloride",C1=CC(=C(C=C1C(=O)Cl)Cl)Cl,InChI=1S/C7H3Cl3O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,VTXNOVCTHUBABW-UHFFFAOYSA-N,C7H3Cl3O,209.5,207.924948,4.4,17.1,160,0,0,1,1,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHENOL, 2,4-DICHLORO-, SODIUM SALT",003757-76-4,23678872,"sodium 2,4-dichlorophenolate",C1=CC(=C(C=C1Cl)Cl)[O-].[Na+],"InChI=1S/C6H4Cl2O.Na/c7-4-1-2-6(9)5(8)3-4;/h1-3,9H;/q;+1/p-1",BYOIUZNBVLCMNV-UHFFFAOYSA-M,C6H3Cl2NaO,184.98,183.9458644,,23.1,102,0,0,1,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEMETHANAMINE, 3-CHLORO-",004152-90-3,77802,(3-chlorophenyl)methanamine,C1=CC(=CC(=C1)Cl)CN,"InChI=1S/C7H8ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2",BJFPYGGTDAYECS-UHFFFAOYSA-N,C7H8ClN,141.6,141.034527,1.7,26,85,0,1,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"CARBAMIC CHLORIDE, METHYLPHENYL-",004285-42-1,77969,N-methyl-N-phenylcarbamoyl chloride,CN(C1=CC=CC=C1)C(=O)Cl,"InChI=1S/C8H8ClNO/c1-10(8(9)11)7-5-3-2-4-6-7/h2-6H,1H3",CPGWSLFYXMRNDV-UHFFFAOYSA-N,C8H8ClNO,169.61,169.0294416,2.2,20.3,143,0,0,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOYL CHLORIDE, 3,4,5-TRIMETHOXY-",004521-61-3,78282,"3,4,5-trimethoxybenzoyl chloride",COC1=CC(=CC(=C1OC)OC)C(=O)Cl,"InChI=1S/C10H11ClO4/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3",BUHYMJLFRZAFBF-UHFFFAOYSA-N,C10H11ClO4,230.64,230.0345865,2.3,44.8,207,0,0,4,4,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONYL CHLORIDE, 2-CHLORO-5-NITRO-",004533-95-3,20630,2-chloro-5-nitrobenzenesulfonyl chloride,C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)Cl)Cl,"InChI=1S/C6H3Cl2NO4S/c7-5-2-1-4(9(10)11)3-6(5)14(8,12)13/h1-3H",COZWQPZDKVIVFS-UHFFFAOYSA-N,C6H3Cl2NO4S,256.06,254.9159841,2.4,88.3,320,0,0,4,1,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONYL CHLORIDE, 2,5-DICHLORO-",005402-73-3,79401,"2,5-dichlorobenzenesulfonyl chloride",C1=CC(=C(C=C1Cl)S(=O)(=O)Cl)Cl,"InChI=1S/C6H3Cl3O2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H",BXCOSWRSIISQSL-UHFFFAOYSA-N,C6H3Cl3O2S,245.5,243.891934,3,42.5,246,0,0,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2,4-BIS(1,1,3,3-TETRAMETHYLBUTYL)-",005806-72-4,79870,"2,4-bis(2,4,4-trimethylpentan-2-yl)phenol",CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)CC(C)(C)C,"InChI=1S/C22H38O/c1-19(2,3)14-21(7,8)16-11-12-18(23)17(13-16)22(9,10)15-20(4,5)6/h11-13,23H,14-15H2,1-10H3",DNYCICZKXQGHBJ-UHFFFAOYSA-N,C22H38O,318.5,318.2922658,8.4,20.2,378,0,1,1,6,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENETHIOL, 2-CHLORO-",006320-03-2,80599,2-chlorobenzenethiol,C1=CC=C(C(=C1)S)Cl,"InChI=1S/C6H5ClS/c7-5-3-1-2-4-6(5)8/h1-4,8H",PWOBDMNCYMQTCE-UHFFFAOYSA-N,C6H5ClS,144.62,143.980049,2.7,1,74,0,1,1,0,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZALDEHYDE, 2,3-DICHLORO-",006334-18-5,35745,"2,3-dichlorobenzaldehyde",C1=CC(=C(C(=C1)Cl)Cl)C=O,InChI=1S/C7H4Cl2O/c8-6-3-1-2-5(4-10)7(6)9/h1-4H,LLMLNAVBOAMOEE-UHFFFAOYSA-N,C7H4Cl2O,175.01,173.9639201,3,17.1,127,0,0,1,1,10,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOYL CHLORIDE, 3,5-DIMETHYL-",006613-44-1,81088,"3,5-dimethylbenzoyl chloride",CC1=CC(=CC(=C1)C(=O)Cl)C,"InChI=1S/C9H9ClO/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3",ZJIOBDJEKDUUCI-UHFFFAOYSA-N,C9H9ClO,168.62,168.0341926,3.2,17.1,146,0,0,1,1,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"BENZENE, 1-CHLORO-4-[(CHLOROMETHYL)THIO]-",007205-90-5,23610,1-chloro-4-(chloromethylsulfanyl)benzene,C1=CC(=CC=C1SCCl)Cl,"InChI=1S/C7H6Cl2S/c8-5-10-7-3-1-6(9)2-4-7/h1-4H,5H2",XPJUCMIJGVAEGF-UHFFFAOYSA-N,C7H6Cl2S,193.09,191.9567268,3.7,25.3,89,0,0,1,2,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFENYL CHLORIDE, 2-NITRO-",007669-54-7,24319,(2-nitrophenyl) thiohypochlorite,C1=CC=C(C(=C1)[N+](=O)[O-])SCl,InChI=1S/C6H4ClNO2S/c7-11-6-4-2-1-3-5(6)8(9)10/h1-4H,NTNKNFHIAFDCSJ-UHFFFAOYSA-N,C6H4ClNO2S,189.62,188.9651272,2.6,71.1,150,0,0,3,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZALDEHYDE, 3,5-DICHLORO-",010203-08-4,35746,"3,5-dichlorobenzaldehyde",C1=C(C=C(C=C1Cl)Cl)C=O,InChI=1S/C7H4Cl2O/c8-6-1-5(4-10)2-7(9)3-6/h1-4H,CASRSOJWLARCRX-UHFFFAOYSA-N,C7H4Cl2O,175.01,173.9639201,2.6,17.1,117,0,0,1,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"SILANE, TRICHLORO[4-(CHLOROMETHYL)PHENYL]-",013688-90-9,83663,trichloro-[4-(chloromethyl)phenyl]silane,C1=CC(=CC=C1CCl)[Si](Cl)(Cl)Cl,"InChI=1S/C7H6Cl4Si/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5H2",YBYBQFPZMKPGPJ-UHFFFAOYSA-N,C7H6Cl4Si,260,259.896337,,0,137,0,0,0,1,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEMETHANAMINE, N-ETHYL-",014321-27-8,84352,N-benzylethanamine,CCNCC1=CC=CC=C1,"InChI=1S/C9H13N/c1-2-10-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3",HVAAHUDGWQAAOJ-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,1.8,12,74,0,1,1,3,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHENOL, 2-METHYL-4-NONYL-",014417-90-4,84426,2-methyl-4-nonylphenol,CCCCCCCCCC1=CC(=C(C=C1)O)C,"InChI=1S/C16H26O/c1-3-4-5-6-7-8-9-10-15-11-12-16(17)14(2)13-15/h11-13,17H,3-10H2,1-2H3",LUQSSEXHMSLJQS-UHFFFAOYSA-N,C16H26O,234.38,234.1983654,6.5,20.2,178,0,1,1,8,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,2-ETHANEDIAMINE, N-ETHYL-N-(3-METHYLPHENYL)-",019248-13-6,87984,"N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine",CCN(CCN)C1=CC=CC(=C1)C,"InChI=1S/C11H18N2/c1-3-13(8-7-12)11-6-4-5-10(2)9-11/h4-6,9H,3,7-8,12H2,1-2H3",FTMVEUXYYDLYFH-UHFFFAOYSA-N,C11H18N2,178.27,178.1469986,2.2,29.3,136,0,1,2,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-(CHLOROMETHYL)-4-(1,1-DIMETHYLETHYL)-",019692-45-6,88198,1-tert-butyl-4-(chloromethyl)benzene,CC(C)(C)C1=CC=C(C=C1)CCl,"InChI=1S/C11H15Cl/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8H2,1-3H3",WAXIFMGAKWIFDQ-UHFFFAOYSA-N,C11H15Cl,182.69,182.0862282,4,0,126,0,0,0,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOYL CHLORIDE, 2-METHOXY-",021615-34-9,88969,2-methoxybenzoyl chloride,COC1=CC=CC=C1C(=O)Cl,"InChI=1S/C8H7ClO2/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3",RZNHSEZOLFEFGB-UHFFFAOYSA-N,C8H7ClO2,170.59,170.0134572,2.6,26.3,147,0,0,2,2,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONYL CHLORIDE, 4-METHOXY-3-NITRO-",022117-79-9,89600,4-methoxy-3-nitrobenzenesulfonyl chloride,COC1=C(C=C(C=C1)S(=O)(=O)Cl)[N+](=O)[O-],"InChI=1S/C7H6ClNO5S/c1-14-7-3-2-5(15(8,12)13)4-6(7)9(10)11/h2-4H,1H3",PWYNJONRUFAOFG-UHFFFAOYSA-N,C7H6ClNO5S,251.64,250.9655212,2.2,97.6,332,0,0,5,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"SILANE, [4-(CHLOROMETHYL)PHENYL]TRIMETHOXY-",024413-04-5,90492,[4-(chloromethyl)phenyl]-trimethoxysilane,CO[Si](C1=CC=C(C=C1)CCl)(OC)OC,"InChI=1S/C10H15ClO3Si/c1-12-15(13-2,14-3)10-6-4-9(8-11)5-7-10/h4-7H,8H2,1-3H3",ZXOFHTCCTUEJQJ-UHFFFAOYSA-N,C10H15ClO3Si,246.76,246.0478986,,27.7,171,0,0,3,5,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-(CHLOROSULFONYL)-, METHYL ESTER",026638-43-7,117830,methyl 2-chlorosulfonylbenzoate,COC(=O)C1=CC=CC=C1S(=O)(=O)Cl,"InChI=1S/C8H7ClO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3",HUNUAFNLLYVTQD-UHFFFAOYSA-N,C8H7ClO4S,234.66,233.9753576,1.8,68.8,306,0,0,4,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TRICHLORO(DICHLOROPHENYL) SILANE,027137-85-5,156614055,trichloro(phenyl)silane;dihydrochloride,C1=CC=C(C=C1)[Si](Cl)(Cl)Cl.Cl.Cl,"InChI=1S/C6H5Cl3Si.2ClH/c7-10(8,9)6-4-2-1-3-5-6;;/h1-5H;2*1H",QFLNHKMRCRBGOY-UHFFFAOYSA-N,C6H7Cl5Si,284.5,283.873015,,0,104,0,2,0,0,12,"286 °F (EPA, 1998)","500 °F at 760 mmHg (EPA, 1998)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOYL CHLORIDE, 4-BUTYL-",028788-62-7,120049,4-butylbenzoyl chloride,CCCCC1=CC=C(C=C1)C(=O)Cl,"InChI=1S/C11H13ClO/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3",OUOWCSJYDCPVDM-UHFFFAOYSA-N,C11H13ClO,196.67,196.0654927,5,17.1,159,0,0,1,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"MAGNESIUM, CHLORO[(2-METHYLPHENYL)METHYL]-",029875-05-6,122498,magnesium;1-methanidyl-2-methylbenzene;chloride,CC1=CC=CC=C1[CH2-].[Mg+2].[Cl-],"InChI=1S/C8H9.ClH.Mg/c1-7-5-3-4-6-8(7)2;;/h3-6H,1H2,2H3;1H;/q-1;;+2/p-1",YGJUEZWNAWCXGJ-UHFFFAOYSA-M,C8H9ClMg,164.91,164.0243197,,0,75,0,0,2,0,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHENOL, DIOCTYL-",029988-16-7,121608,"2,3-dioctylphenol",CCCCCCCCC1=C(C(=CC=C1)O)CCCCCCCC,"InChI=1S/C22H38O/c1-3-5-7-9-11-13-16-20-17-15-19-22(23)21(20)18-14-12-10-8-6-4-2/h15,17,19,23H,3-14,16,18H2,1-2H3",IXKVYSRDIVLASR-UHFFFAOYSA-N,C22H38O,318.5,318.2922658,9.7,20.2,250,0,1,1,14,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, DICHLORO(CHLOROMETHYL)-",038721-71-0,76790,"1,2-dichloro-3-(chloromethyl)benzene",C1=CC(=C(C(=C1)Cl)Cl)CCl,"InChI=1S/C7H5Cl3/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2",AIPJZPPOFWCJRC-UHFFFAOYSA-N,C7H5Cl3,195.5,193.945683,3.6,0,105,0,0,0,1,10,,245-252 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1-FLUORO-2-ISOTHIOCYANATO-",038985-64-7,97520,1-fluoro-2-isothiocyanatobenzene,C1=CC=C(C(=C1)N=C=S)F,InChI=1S/C7H4FNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H,OAGDRIUTLPDSMJ-UHFFFAOYSA-N,C7H4FNS,153.18,153.0048485,3.4,44.5,154,0,0,3,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOYL CHLORIDE, 4-(HEXYLOXY)-",039649-71-3,170235,4-hexoxybenzoyl chloride,CCCCCCOC1=CC=C(C=C1)C(=O)Cl,"InChI=1S/C13H17ClO2/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9H,2-5,10H2,1H3",DQQOONVCLQZWOY-UHFFFAOYSA-N,C13H17ClO2,240.72,240.0917075,4.9,26.3,198,0,0,2,7,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOYL CHLORIDE, 4-PENTYL-",049763-65-7,170812,4-pentylbenzoyl chloride,CCCCCC1=CC=C(C=C1)C(=O)Cl,"InChI=1S/C12H15ClO/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9H,2-5H2,1H3",FBBRKYLXMNQFQU-UHFFFAOYSA-N,C12H15ClO,210.7,210.0811428,4.6,17.1,171,0,0,1,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOYL CHLORIDE, 4-HEPTYL-",050606-96-7,170864,4-heptylbenzoyl chloride,CCCCCCCC1=CC=C(C=C1)C(=O)Cl,"InChI=1S/C14H19ClO/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3",WHTFLTOKFXTJGV-UHFFFAOYSA-N,C14H19ClO,238.75,238.1124429,5.7,17.1,195,0,0,1,7,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOYL CHLORIDE, 4-PROPYL-",052710-27-7,104293,4-propylbenzoyl chloride,CCCC1=CC=C(C=C1)C(=O)Cl,"InChI=1S/C10H11ClO/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3",NZYPCJXREKMMCJ-UHFFFAOYSA-N,C10H11ClO,182.64,182.0498427,4.4,17.1,148,0,0,1,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOYL CHLORIDE, 4-DECYL-",054256-43-8,104714,4-decylbenzoyl chloride,CCCCCCCCCCC1=CC=C(C=C1)C(=O)Cl,"InChI=1S/C17H25ClO/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(14-12-15)17(18)19/h11-14H,2-10H2,1H3",HEWLDHSFOQXCSI-UHFFFAOYSA-N,C17H25ClO,280.8,280.1593931,7.3,17.1,231,0,0,1,10,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, 4-(2-BROMOETHYL)-",054322-31-5,103071,4-(2-bromoethyl)benzenesulfonic acid,C1=CC(=CC=C1CCBr)S(=O)(=O)O,"InChI=1S/C8H9BrO3S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6H2,(H,10,11,12)",XRPCDXSRXPQUKT-UHFFFAOYSA-N,C8H9BrO3S,265.13,263.94558,1.7,62.8,237,0,1,3,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1-CHLORO-2-(CHLOROMETHYL)-3-FLUORO-",055117-15-2,108675,1-chloro-2-(chloromethyl)-3-fluorobenzene,C1=CC(=C(C(=C1)Cl)CCl)F,"InChI=1S/C7H5Cl2F/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2",MJGOLNNLNQQIHR-UHFFFAOYSA-N,C7H5Cl2F,179.02,177.9752337,3,0,108,0,0,1,1,10,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-OCTANAMINIUM, N,N-BIS(2-HYDROXYETHYL)-N-METHYL-, SALT WITH 4-METHYLBENZENESU",058767-50-3,100840,bis(2-hydroxyethyl)-methyl-octylazanium;4-methylbenzenesulfonate,CCCCCCCC[N+](C)(CCO)CCO.CC1=CC=C(C=C1)S(=O)(=O)[O-],"InChI=1S/C13H30NO2.C7H8O3S/c1-3-4-5-6-7-8-9-14(2,10-12-15)11-13-16;1-6-2-4-7(5-3-6)11(8,9)10/h15-16H,3-13H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",YLHNNWUZOGHCSP-UHFFFAOYSA-M,C20H37NO5S,403.6,403.2392445,,106,338,0,2,5,11,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEMETHANAMINIUM, N-DODECYL-N,N-BIS(2-HYDROXYPROPYL)-, CHLORIDE",065059-91-8,103099,benzyl-dodecyl-bis(2-hydroxypropyl)azanium chloride,CCCCCCCCCCCC[N+](CC1=CC=CC=C1)(CC(C)O)CC(C)O.[Cl-],"InChI=1S/C25H46NO2.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-26(20-23(2)27,21-24(3)28)22-25-17-14-13-15-18-25;/h13-15,17-18,23-24,27-28H,4-12,16,19-22H2,1-3H3;1H/q+1;/p-1",DMKGBWJRTCHMCP-UHFFFAOYSA-M,C25H46ClNO2,428.1,427.3217074,,40.5,344,0,2,3,17,29,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEMETHANAMINIUM, N,N-BIS(2-HYDROXYPROPYL)-N-OCTADECYL-, CHLORIDE",065059-92-9,103101,benzyl-bis(2-hydroxypropyl)-octadecylazanium chloride,CCCCCCCCCCCCCCCCCC[N+](CC1=CC=CC=C1)(CC(C)O)CC(C)O.[Cl-],"InChI=1S/C31H58NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-32(26-29(2)33,27-30(3)34)28-31-23-20-19-21-24-31;/h19-21,23-24,29-30,33-34H,4-18,22,25-28H2,1-3H3;1H/q+1;/p-1",WZQBRQMVLLLQII-UHFFFAOYSA-M,C31H58ClNO2,512.2,511.4156078,,40.5,425,0,2,3,23,35,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEMETHANAMINIUM, N-HEXADECYL-N,N-BIS(2-HYDROXYPROPYL)-, CHLORIDE",065151-48-6,103275,benzyl-hexadecyl-bis(2-hydroxypropyl)azanium chloride,CCCCCCCCCCCCCCCC[N+](CC1=CC=CC=C1)(CC(C)O)CC(C)O.[Cl-],"InChI=1S/C29H54NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30(24-27(2)31,25-28(3)32)26-29-21-18-17-19-22-29;/h17-19,21-22,27-28,31-32H,4-16,20,23-26H2,1-3H3;1H/q+1;/p-1",XURDIXCMWFXRBV-UHFFFAOYSA-M,C29H54ClNO2,484.2,483.3843077,,40.5,398,0,2,3,21,33,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,2-BENZENEDICARBOXYLIC ACID, 3-SULFO-",067892-43-7,105970,3-sulfophthalic acid,C1=CC(=C(C(=C1)S(=O)(=O)O)C(=O)O)C(=O)O,"InChI=1S/C8H6O7S/c9-7(10)4-2-1-3-5(16(13,14)15)6(4)8(11)12/h1-3H,(H,9,10)(H,11,12)(H,13,14,15)",SDGNNLQZAPXALR-UHFFFAOYSA-N,C8H6O7S,246.2,245.9834237,-0.3,137,393,0,3,7,3,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEMETHANAMINE, 3-CHLORO-4-METHYL-",067952-93-6,106225,(3-chloro-4-methylphenyl)methanamine,CC1=C(C=C(C=C1)CN)Cl,"InChI=1S/C8H10ClN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,5,10H2,1H3",MXIGALIASISPNU-UHFFFAOYSA-N,C8H10ClN,155.62,155.050177,1.8,26,105,0,1,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TRIISOBUTYLMETHYLPHOSPHONIUM TOSYLATE,344774-05-6,16218739,4-methylbenzenesulfonate;methyl-tris(2-methylpropyl)phosphanium,CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)C[P+](C)(CC(C)C)CC(C)C,"InChI=1S/C13H30P.C7H8O3S/c1-11(2)8-14(7,9-12(3)4)10-13(5)6;1-6-2-4-7(5-3-6)11(8,9)10/h11-13H,8-10H2,1-7H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",SNXTZFCNWIVLKZ-UHFFFAOYSA-M,C20H37O3PS,388.5,388.2201032,,65.6,314,0,0,3,6,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,5-DIMETHOXYPHENETHYLAMINE",003600-86-0,76632,"2-(2,5-dimethoxyphenyl)ethanamine",COC1=CC(=C(C=C1)OC)CCN,"InChI=1S/C10H15NO2/c1-12-9-3-4-10(13-2)8(7-9)5-6-11/h3-4,7H,5-6,11H2,1-2H3",WNCUVUUEJZEATP-UHFFFAOYSA-N,C10H15NO2,181.23,181.1102787,1.3,44.5,141,0,1,3,4,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TETRAPROPENYL PHENOL,121158-58-5,22833469,"4-(3,4,5-trimethylheptyl)phenol",CCC(C)C(C)C(C)CCC1=CC=C(C=C1)O,"InChI=1S/C16H26O/c1-5-12(2)14(4)13(3)6-7-15-8-10-16(17)11-9-15/h8-14,17H,5-7H2,1-4H3",AOOKHLGAVNECET-UHFFFAOYSA-N,C16H26O,234.38,234.1983654,5.8,20.2,194,0,1,1,6,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,0
2-(4-CHLOROSULFONYLPHENYL)ETHYLTRIMETHOXYSILANE,126519-89-9,2733807,4-(2-trimethoxysilylethyl)benzenesulfonyl chloride,CO[Si](CCC1=CC=C(C=C1)S(=O)(=O)Cl)(OC)OC,"InChI=1S/C11H17ClO5SSi/c1-15-19(16-2,17-3)9-8-10-4-6-11(7-5-10)18(12,13)14/h4-7H,8-9H2,1-3H3",NYIDSUMRGUILGR-UHFFFAOYSA-N,C11H17ClO5SSi,324.85,324.025449,,70.2,350,0,0,5,7,19,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DODECYLPHENOL,027193-86-8,171144,2-dodecylphenol,CCCCCCCCCCCCC1=CC=CC=C1O,"InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19/h12-13,15-16,19H,2-11,14H2,1H3",CYEJMVLDXAUOPN-UHFFFAOYSA-N,C18H30O,262.4,262.2296656,7.8,20.2,190,0,1,1,11,19,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
BENZYL CHLOROFORMATE,000501-53-1,10387,benzyl carbonochloridate,C1=CC=C(C=C1)COC(=O)Cl,"InChI=1S/C8H7ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2",HSDAJNMJOMSNEV-UHFFFAOYSA-N,C8H7ClO2,170.59,170.0134572,3,26.3,130,0,0,2,3,11,"227 °F Vigorous decomposition occurs at these temperatures; thus these values are anomalous due to the effect of the decomp. products (benzyl chloride and CO2). (USCG, 1999)","306 °F at 760 mmHg (decomposes) (USCG, 1999)",1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
CINNAMOYL CHLORIDE,000102-92-1,5354261,(E)-3-phenylprop-2-enoyl chloride,C1=CC=C(C=C1)/C=C/C(=O)Cl,InChI=1S/C9H7ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+,WOGITNXCNOTRLK-VOTSOKGWSA-N,C9H7ClO,166.6,166.0185425,3.1,17.1,157,0,0,1,2,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, 4-(1-METHYLETHYL)-",016066-35-6,6640,4-propan-2-ylbenzenesulfonic acid,CC(C)C1=CC=C(C=C1)S(=O)(=O)O,"InChI=1S/C9H12O3S/c1-7(2)8-3-5-9(6-4-8)13(10,11)12/h3-7H,1-2H3,(H,10,11,12)",CVLHGLWXLDOELD-UHFFFAOYSA-N,C9H12O3S,200.26,200.0507154,1.9,62.8,243,0,1,3,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,3,6-TRIMETHYLPHENOL",002416-94-6,17016,"2,3,6-trimethylphenol",CC1=C(C(=C(C=C1)C)O)C,"InChI=1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3",QQOMQLYQAXGHSU-UHFFFAOYSA-N,C9H12O,136.19,136.088815,2.7,20.2,111,0,1,1,0,10,100 °C,226 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"BENZENESULFONIC ACID, TRIDECYL-",025496-01-9,33020,4-tridecylbenzenesulfonic acid,CCCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O,"InChI=1S/C19H32O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-14-16-19(17-15-18)23(20,21)22/h14-17H,2-13H2,1H3,(H,20,21,22)",ANZWOARUBDXLMN-UHFFFAOYSA-N,C19H32O3S,340.5,340.2072161,7.5,62.8,365,0,1,3,13,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
O-CHLOROBENZALDEHYDE,000089-98-5,6996,2-chlorobenzaldehyde,C1=CC=C(C(=C1)C=O)Cl,InChI=1S/C7H5ClO/c8-7-4-2-1-3-6(7)5-9/h1-5H,FPYUJUBAXZAQNL-UHFFFAOYSA-N,C7H5ClO,140.56,140.0028925,2.3,17.1,103,0,0,1,1,9,"190 °F (NTP, 1992)","413.4 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
P-OCTYL PHENOL,001806-26-4,15730,4-octylphenol,CCCCCCCCC1=CC=C(C=C1)O,"InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3",NTDQQZYCCIDJRK-UHFFFAOYSA-N,C14H22O,206.32,206.1670653,5.3,20.2,136,0,1,1,7,15,113 °C,280 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
3-PHENYL-1-PROPANOL,000122-97-4,31234,3-phenylpropan-1-ol,C1=CC=C(C=C1)CCCO,"InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2",VAJVDSVGBWFCLW-UHFFFAOYSA-N,C9H12O,136.19,136.088815,1.9,20.2,74,0,1,1,3,10,Flash Point: 212 °F/ 100 °C/ closed cup,241 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,4,6-TRIMETHYLPHENOL",000527-60-6,10698,"2,4,6-trimethylphenol",CC1=CC(=C(C(=C1)C)O)C,"InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3",BPRYUXCVCCNUFE-UHFFFAOYSA-N,C9H12O,136.19,136.088815,2.7,20.2,99,0,1,1,0,10,,220 °C,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
2-TERT-BUTYL-4-METHYLPHENOL,002409-55-4,17004,2-tert-butyl-4-methylphenol,CC1=CC(=C(C=C1)O)C(C)(C)C,"InChI=1S/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3",IKEHOXWJQXIQAG-UHFFFAOYSA-N,C11H16O,164.24,164.1201151,3.6,20.2,146,0,1,1,1,12,105 °C,237 °C,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHORIC ACID, MONOPHENYL ESTER",000701-64-4,12793,phenyl dihydrogen phosphate,C1=CC=C(C=C1)OP(=O)(O)O,"InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)",CMPQUABWPXYYSH-UHFFFAOYSA-N,C6H7O4P,174.09,174.0081957,0.3,66.8,158,0,2,4,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-TOLUENESULFONIC ACID MONOHYDRATE,006192-52-5,521998,4-methylbenzenesulfonic acid;hydrate,CC1=CC=C(C=C1)S(=O)(=O)O.O,"InChI=1S/C7H8O3S.H2O/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);1H2",KJIFKLIQANRMOU-UHFFFAOYSA-N,C7H10O4S,190.22,190.02998,,63.8,206,0,2,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-ETHYLPHENOL,000123-07-9,31242,4-ethylphenol,CCC1=CC=C(C=C1)O,"InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3",HXDOZKJGKXYMEW-UHFFFAOYSA-N,C8H10O,122.16,122.0731649,2.6,20.2,72,0,1,1,1,9,104 °C,217.9 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
P-DODECYL PHENOL,000104-43-8,66030,4-dodecylphenol,CCCCCCCCCCCCC1=CC=C(C=C1)O,"InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h13-16,19H,2-12H2,1H3",KJWMCPYEODZESQ-UHFFFAOYSA-N,C18H30O,262.4,262.2296656,7.5,20.2,182,0,1,1,11,19,,,1,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,0
"3,5-BIS(TRIFLUOROMETHYL)BENZYLAMINE",085068-29-7,521099,"[3,5-bis(trifluoromethyl)phenyl]methanamine",C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CN,"InChI=1S/C9H7F6N/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3H,4,16H2",DHVHORCFFOSRBP-UHFFFAOYSA-N,C9H7F6N,243.15,243.0482682,2.5,26,211,0,1,7,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
P-HYDROXYBENZOIC ACID,000099-96-7,135,4-hydroxybenzoic acid,C1=CC(=CC=C1C(=O)O)O,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",FJKROLUGYXJWQN-UHFFFAOYSA-N,C7H6O3,138.12,138.031694,1.6,57.5,125,0,2,3,1,10,,334.00 to 335.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-TOLUNITRILE,000104-85-8,7724,4-methylbenzonitrile,CC1=CC=C(C=C1)C#N,"InChI=1S/C8H7N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H3",VCZNNAKNUVJVGX-UHFFFAOYSA-N,C8H7N,117.15,117.0578492,2.4,23.8,123,0,0,1,0,9,"185 °F (NTP, 1992)","423.7 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,1,0,0,1
BUTYL PARABEN,000094-26-8,7184,butyl 4-hydroxybenzoate,CCCCOC(=O)C1=CC=C(C=C1)O,"InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3",QFOHBWFCKVYLES-UHFFFAOYSA-N,C11H14O3,194.23,194.0942943,3.6,46.5,171,0,1,3,5,14,181 °C,156.00 to 157.00 °C. @ 3.50 mm Hg,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL PHENYL SULFOXIDE,001193-82-4,14516,methylsulfinylbenzene,CS(=O)C1=CC=CC=C1,"InChI=1S/C7H8OS/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3",JXTGICXCHWMCPM-UHFFFAOYSA-N,C7H8OS,140.2,140.0295861,0.6,36.3,105,0,0,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CHLORAMBEN,000133-90-4,8630,"3-amino-2,5-dichlorobenzoic acid",C1=C(C=C(C(=C1C(=O)O)Cl)N)Cl,"InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12)",HSSBORCLYSCBJR-UHFFFAOYSA-N,C7H5Cl2NO2,206.02,204.9697338,2,63.3,188,0,2,3,1,12,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-HYDROXYBENZYL ALCOHOL,000620-24-6,102,3-(hydroxymethyl)phenol,C1=CC(=CC(=C1)O)CO,"InChI=1S/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2",OKVJCVWFVRATSG-UHFFFAOYSA-N,C7H8O2,124.14,124.0524295,0.5,40.5,83,0,2,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,1'-(PHENYLIMINO)BIS-2-PROPANOL",003077-13-2,76498,1-[N-(2-hydroxypropyl)anilino]propan-2-ol,CC(CN(CC(C)O)C1=CC=CC=C1)O,"InChI=1S/C12H19NO2/c1-10(14)8-13(9-11(2)15)12-6-4-3-5-7-12/h3-7,10-11,14-15H,8-9H2,1-2H3",FKOMNQCOHKHUCP-UHFFFAOYSA-N,C12H19NO2,209.28,209.1415788,1.5,43.7,159,0,2,3,5,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
O-DIIODOBENZENE,000615-42-9,11994,"1,2-diiodobenzene",C1=CC=C(C(=C1)I)I,InChI=1S/C6H4I2/c7-5-3-1-2-4-6(5)8/h1-4H,BBOLNFYSRZVALD-UHFFFAOYSA-N,C6H4I2,329.9,329.84025,3.2,0,62,0,0,0,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3,5,6-TETRAFLUOROBENZOIC ACID",000652-18-6,567533,"2,3,5,6-tetrafluorobenzoic acid",C1=C(C(=C(C(=C1F)F)C(=O)O)F)F,"InChI=1S/C7H2F4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13)",KVLBXIOFJUWSJQ-UHFFFAOYSA-N,C7H2F4O2,194.08,193.999092,2,37.3,197,0,1,6,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,2'-DITHIODIBENZOIC ACID",000527-89-9,68243,2-hydroxybenzenecarbodithioic acid,C1=CC=C(C(=C1)C(=S)S)O,"InChI=1S/C7H6OS2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)",AJQLEJAVGARHGQ-UHFFFAOYSA-N,C7H6OS2,170.3,169.9860072,2.2,53.3,136,0,2,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"3-SULFONBENZOIC ACID, SODIUM SALT",017625-03-5,23668512,sodium 3-sulfobenzoate,C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)[O-].[Na+],"InChI=1S/C7H6O5S.Na/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);/q;+1/p-1",KQHKITXZJDOIOD-UHFFFAOYSA-M,C7H5NaO5S,224.17,223.9755387,,103,294,0,1,5,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-MERCAPTOBENZOIC ACID,004869-59-4,95737,3-sulfanylbenzoic acid,C1=CC(=CC(=C1)S)C(=O)O,"InChI=1S/C7H6O2S/c8-7(9)5-2-1-3-6(10)4-5/h1-4,10H,(H,8,9)",RSFDFESMVAIVKO-UHFFFAOYSA-N,C7H6O2S,154.19,154.0088506,2.3,38.3,136,0,2,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2',4'-DIHYDROXYACETOPHENONE",000089-84-9,6990,"1-(2,4-dihydroxyphenyl)ethanone",CC(=O)C1=C(C=C(C=C1)O)O,"InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3",SULYEHHGGXARJS-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,1.7,57.5,155,0,2,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-ETHYLHEXYL 4-(DIMEHTYLAMINO)BENZOATE,021245-02-3,30541,2-ethylhexyl 4-(dimethylamino)benzoate,CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C,"InChI=1S/C17H27NO2/c1-5-7-8-14(6-2)13-20-17(19)15-9-11-16(12-10-15)18(3)4/h9-12,14H,5-8,13H2,1-4H3",WYWZRNAHINYAEF-UHFFFAOYSA-N,C17H27NO2,277.4,277.2041791,5,29.5,270,0,0,3,9,20,,325 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
N-BENZYLGLYCINE HYDROCHLORIDE,007689-50-1,2756624,2-(benzylamino)acetic acid;hydrochloride,C1=CC=C(C=C1)CNCC(=O)O.Cl,"InChI=1S/C9H11NO2.ClH/c11-9(12)7-10-6-8-4-2-1-3-5-8;/h1-5,10H,6-7H2,(H,11,12);1H",BUZJPENZWLUHJD-UHFFFAOYSA-N,C9H12ClNO2,201.65,201.0556563,,49.3,141,0,3,3,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-MERCAPTOBENZYL ALCOHOL,004521-31-7,138278,(2-sulfanylphenyl)methanol,C1=CC=C(C(=C1)CO)S,"InChI=1S/C7H8OS/c8-5-6-3-1-2-4-7(6)9/h1-4,8-9H,5H2",FYWFCRHZXORPFH-UHFFFAOYSA-N,C7H8OS,140.2,140.0295861,1.4,21.2,85,0,2,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-CHLORO-4-NITROBENZOIC ACID,000099-60-5,7448,2-chloro-4-nitrobenzoic acid,C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)O,"InChI=1S/C7H4ClNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11)",QAYNSPOKTRVZRC-UHFFFAOYSA-N,C7H4ClNO4,201.56,200.9828853,2,83.1,227,0,1,4,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-SULFO-1,3-BENZENEDICARBOXYLIC ACID MONOSODIUM SALT",006362-79-4,23670844,"sodium 3,5-dicarboxybenzenesulfonate",C1=C(C=C(C=C1C(=O)O)S(=O)(=O)[O-])C(=O)O.[Na+],"InChI=1S/C8H6O7S.Na/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);/q;+1/p-1",YXTFRJVQOWZDPP-UHFFFAOYSA-M,C8H5NaO7S,268.18,267.965368,,140,377,0,2,7,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
4-MERCAPTOPHENYLACETIC ACID,039161-84-7,3390511,2-(4-sulfanylphenyl)acetic acid,C1=CC(=CC=C1CC(=O)O)S,"InChI=1S/C8H8O2S/c9-8(10)5-6-1-3-7(11)4-2-6/h1-4,11H,5H2,(H,9,10)",ORXSLDYRYTVAPC-UHFFFAOYSA-N,C8H8O2S,168.21,168.0245007,1.8,38.3,139,0,2,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(2-NITRO-1,3-PHENYLENE)DIMETHANOL",016578-60-2,13519807,[3-(hydroxymethyl)-2-nitrophenyl]methanol,C1=CC(=C(C(=C1)CO)[N+](=O)[O-])CO,"InChI=1S/C8H9NO4/c10-4-6-2-1-3-7(5-11)8(6)9(12)13/h1-3,10-11H,4-5H2",KZYWBYBQPIOWIY-UHFFFAOYSA-N,C8H9NO4,183.16,183.0531578,0,86.3,167,0,2,4,2,13,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BENZENEDICARBOXYLIC ACID, 3-NITRO-",000603-11-2,69043,3-nitrophthalic acid,C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O,"InChI=1S/C8H5NO6/c10-7(11)4-2-1-3-5(9(14)15)6(4)8(12)13/h1-3H,(H,10,11)(H,12,13)",KFIRODWJCYBBHY-UHFFFAOYSA-N,C8H5NO6,211.13,211.0116869,0.7,120,296,0,2,6,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 2-IODO-1,3-DIMETHYL-",000608-28-6,69097,"2-iodo-1,3-dimethylbenzene",CC1=C(C(=CC=C1)C)I,"InChI=1S/C8H9I/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3",QTUGGVBKWIYQSS-UHFFFAOYSA-N,C8H9I,232.06,231.9749,3.3,0,80,0,0,0,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-OCTYLPHENOL,000949-13-3,13700,2-octylphenol,CCCCCCCCC1=CC=CC=C1O,"InChI=1S/C14H22O/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15/h8-9,11-12,15H,2-7,10H2,1H3",DUIOKRXOKLLURE-UHFFFAOYSA-N,C14H22O,206.32,206.1670653,5.6,20.2,144,0,1,1,7,15,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENAMINE, N-SULFINYL-",001122-83-4,70739,(sulfinylamino)benzene,C1=CC=C(C=C1)N=S=O,InChI=1S/C6H5NOS/c8-9-7-6-4-2-1-3-5-6/h1-5H,FIOJWGRGPONADF-UHFFFAOYSA-N,C6H5NOS,139.18,139.009185,2.5,30.4,125,0,0,3,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"PHOSPHONOUS ACID, PHENYL-, DIETHYL ESTER",001638-86-4,74225,diethoxy(phenyl)phosphane,CCOP(C1=CC=CC=C1)OCC,"InChI=1S/C10H15O2P/c1-3-11-13(12-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3",RVDJLKVICMLVJQ-UHFFFAOYSA-N,C10H15O2P,198.2,198.0809667,2.3,18.5,118,0,0,2,5,13,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"1,1,1,5,5,5-HEXAMETHYL-3-PHENYL-3-[(TRIMETHYLSILYL)OXY]TRISILOXANE",002116-84-9,62427,trimethyl-[phenyl-bis(trimethylsilyloxy)silyl]oxysilane,C[Si](C)(C)O[Si](C1=CC=CC=C1)(O[Si](C)(C)C)O[Si](C)(C)C,"InChI=1S/C15H32O3Si4/c1-19(2,3)16-22(17-20(4,5)6,18-21(7,8)9)15-13-11-10-12-14-15/h10-14H,1-9H3",LINXHFKHZLOLEI-UHFFFAOYSA-N,C15H32O3Si4,372.75,372.142851,,27.7,308,0,0,3,7,22,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-[(4-AMINOPHENYL)SULFONYL]-, HYDROGEN SULFATE (ESTER)",002494-89-5,75615,2-(4-aminophenyl)sulfonylethyl hydrogen sulfate,C1=CC(=CC=C1N)S(=O)(=O)CCOS(=O)(=O)O,"InChI=1S/C8H11NO6S2/c9-7-1-3-8(4-2-7)16(10,11)6-5-15-17(12,13)14/h1-4H,5-6,9H2,(H,12,13,14)",IALORYHODRVWKZ-UHFFFAOYSA-N,C8H11NO6S2,281.3,281.0027794,-0.6,141,424,0,2,7,5,17,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,0
"DL-VALINE, N-[(PHENYLMETHOXY)CARBONYL]-",003588-63-4,97743,3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid,CC(C)C(C(=O)O)NC(=O)OCC1=CC=CC=C1,"InChI=1S/C13H17NO4/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16)",CANZBRDGRHNSGZ-UHFFFAOYSA-N,C13H17NO4,251.28,251.115758,1.4,75.6,285,0,2,4,6,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,1,0,0
"BENZENE, (CHLOROMETHYL)DODECYL-",028061-21-4,34133,1-chlorotridecylbenzene,CCCCCCCCCCCCC(C1=CC=CC=C1)Cl,"InChI=1S/C19H31Cl/c1-2-3-4-5-6-7-8-9-10-14-17-19(20)18-15-12-11-13-16-18/h11-13,15-16,19H,2-10,14,17H2,1H3",ISXDOPCKEDRLAY-UHFFFAOYSA-N,C19H31Cl,294.9,294.2114287,8.5,0,196,0,0,0,12,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-9-OCTADECENYL-, CHLORIDE, (Z)-",037139-99-4,6436635,benzyl-dimethyl-[(Z)-octadec-9-enyl]azanium chloride,CCCCCCCC/C=C\CCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-],"InChI=1S/C27H48N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;/h11-12,19-21,23-24H,4-10,13-18,22,25-26H2,1-3H3;1H/q+1;/p-1/b12-11-;",RWUKNUAHIRIZJG-AFEZEDKISA-M,C27H48ClN,422.1,421.3475282,,0,351,0,0,1,18,29,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,4,6,8-Nonanetetraenoic acid, 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethy",054350-48-0,5282375,"ethyl (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate",CCOC(=O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C(=C(C=C1C)OC)C)C,"InChI=1S/C23H30O3/c1-8-26-23(24)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(25-7)20(6)19(21)5/h9-15H,8H2,1-7H3/b11-9+,13-12+,16-10+,17-14+",HQMNCQVAMBCHCO-DJRRULDNSA-N,C23H30O3,354.5,354.2194948,6.8,35.5,568,0,0,3,8,26,,,1,0,0,0,0,0,1,1,0,0,1,0,0,1,0,0,1,0,0,1
"2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(4-methoxy-2,3,6-trimethylphenyl)-",055079-83-9,5284513,"(2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid",CC1=CC(=C(C(=C1/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)C)C)OC,"InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7+,11-10+,14-8+,15-12+",IHUNBGSDBOWDMA-AQFIFDHZSA-N,C21H26O3,326.4,326.1881947,6.1,46.5,539,0,1,3,6,24,,,1,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,0
ISOBUTYLPARABEN,004247-02-3,20240,2-methylpropyl 4-hydroxybenzoate,CC(C)COC(=O)C1=CC=C(C=C1)O,"InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3",XPJVKCRENWUEJH-UHFFFAOYSA-N,C11H14O3,194.23,194.0942943,3.4,46.5,181,0,1,3,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SULFANILAMIDE,000063-74-1,5333,4-aminobenzenesulfonamide,C1=CC(=CC=C1N)S(=O)(=O)N,"InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)",FDDDEECHVMSUSB-UHFFFAOYSA-N,C6H8N2O2S,172.21,172.0306487,-0.6,94.6,211,0,2,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
M-CHLOROIODOBENZENE,000625-99-0,12269,1-chloro-3-iodobenzene,C1=CC(=CC(=C1)I)Cl,InChI=1S/C6H4ClI/c7-5-2-1-3-6(8)4-5/h1-4H,JMLWXCJXOYDXRN-UHFFFAOYSA-N,C6H4ClI,238.45,237.90463,3.6,0,74,0,0,0,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-AMINOBENZOIC ACID,000150-13-0,978,4-aminobenzoic acid,C1=CC(=CC=C1C(=O)O)N,"InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)",ALYNCZNDIQEVRV-UHFFFAOYSA-N,C7H7NO2,137.14,137.0476785,0.8,63.3,128,0,2,3,1,10,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
SULFOSALICYLIC ACID,000097-05-2,7322,2-hydroxy-5-sulfobenzoic acid,C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O,"InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)",YCPXWRQRBFJBPZ-UHFFFAOYSA-N,C7H6O6S,218.19,217.9885091,1.3,120,316,0,3,6,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ETHYL ANTHRANILATE,000087-25-2,6877,ethyl 2-aminobenzoate,CCOC(=O)C1=CC=CC=C1N,"InChI=1S/C9H11NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2,10H2,1H3",TWLLPUMZVVGILS-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,2.6,52.3,159,0,1,3,3,12,,"514 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
P-NITROBENZALDEHYDE,000555-16-8,541,4-nitrobenzaldehyde,C1=CC(=CC=C1C=O)[N+](=O)[O-],InChI=1S/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,BXRFQSNOROATLV-UHFFFAOYSA-N,C7H5NO3,151.12,151.026943,1.6,62.9,156,0,0,3,1,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
M-TOLUNITRILE,000620-22-4,12104,3-methylbenzonitrile,CC1=CC(=CC=C1)C#N,"InChI=1S/C8H7N/c1-7-3-2-4-8(5-7)6-9/h2-5H,1H3",BOHCMQZJWOGWTA-UHFFFAOYSA-N,C8H7N,117.15,117.0578492,2.4,23.8,131,0,0,1,0,9,"188 °F (NTP, 1992)","415 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ORTHO-TOLUNITRILE,000529-19-1,10721,2-methylbenzonitrile,CC1=CC=CC=C1C#N,"InChI=1S/C8H7N/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H3",NWPNXBQSRGKSJB-UHFFFAOYSA-N,C8H7N,117.15,117.0578492,2.2,23.8,131,0,0,1,0,9,"184 °F (NTP, 1992)","401 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
1-BROMO-4-CHLOROBENZENE,000106-39-8,7806,1-bromo-4-chlorobenzene,C1=CC(=CC=C1Cl)Br,InChI=1S/C6H4BrCl/c7-5-1-3-6(8)4-2-5/h1-4H,NHDODQWIKUYWMW-UHFFFAOYSA-N,C6H4BrCl,191.45,189.91849,3.7,0,66,0,0,0,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-CHLORO-2-NITROPHENOL,000089-64-5,6980,4-chloro-2-nitrophenol,C1=CC(=C(C=C1Cl)[N+](=O)[O-])O,"InChI=1S/C6H4ClNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H",NWSIFTLPLKCTSX-UHFFFAOYSA-N,C6H4ClNO3,173.55,172.9879707,2.5,66.1,158,0,1,3,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-TYROSINE,000060-18-4,6057,(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid,C1=CC(=CC=C1C[C@@H](C(=O)O)N)O,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1",OUYCCCASQSFEME-QMMMGPOBSA-N,C9H11NO3,181.19,181.0738932,-2.3,83.6,176,0,3,4,3,13,,BOILING POINT: SUBLIMES,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ALPHA-PHENYLGLYCINE,000069-91-0,3866,2-amino-2-phenylacetic acid,C1=CC=C(C=C1)C(C(=O)O)N,"InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)",ZGUNAGUHMKGQNY-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,-1.7,63.3,141,0,2,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
O-CHLOROIODOBENZENE,000615-41-8,11993,1-chloro-2-iodobenzene,C1=CC=C(C(=C1)Cl)I,InChI=1S/C6H4ClI/c7-5-3-1-2-4-6(5)8/h1-4H,MPEOPBCQHNWNFB-UHFFFAOYSA-N,C6H4ClI,238.45,237.90463,3.7,0,74,0,0,0,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
O-MERCAPTOBENZOIC ACID,000147-93-3,5443,2-sulfanylbenzoic acid,C1=CC=C(C(=C1)C(=O)O)S,"InChI=1S/C7H6O2S/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H,8,9)",NBOMNTLFRHMDEZ-UHFFFAOYSA-N,C7H6O2S,154.19,154.0088506,2.4,38.3,136,0,2,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
O-METHOXYBENZOIC ACID,000579-75-9,11370,2-methoxybenzoic acid,COC1=CC=CC=C1C(=O)O,"InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)",ILUJQPXNXACGAN-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,1.6,46.5,144,0,1,3,2,11,,279.00 to 280.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
P-AMINOPHENYLETHYL ALCOHOL,000104-10-9,66904,2-(4-aminophenyl)ethanol,C1=CC(=CC=C1CCO)N,"InChI=1S/C8H11NO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6,9H2",QXHDYMUPPXAMPQ-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,0.1,46.3,87,0,2,2,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-BROMOACETANILIDE,000103-88-8,7683,N-(4-bromophenyl)acetamide,CC(=O)NC1=CC=C(C=C1)Br,"InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)",MSLICLMCQYQNPK-UHFFFAOYSA-N,C8H8BrNO,214.06,212.97893,2.3,29.1,141,0,1,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PYROMELLITIC ACID,000089-05-4,6961,"benzene-1,2,4,5-tetracarboxylic acid",C1=C(C(=CC(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O,"InChI=1S/C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)",CYIDZMCFTVVTJO-UHFFFAOYSA-N,C10H6O8,254.15,254.0062672,0,149,327,0,4,8,4,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DINITROBROMOBENZENE",000584-48-5,11441,"1-bromo-2,4-dinitrobenzene",C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Br,InChI=1S/C6H3BrN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,PBOPJYORIDJAFE-UHFFFAOYSA-N,C6H3BrN2O4,247,245.92762,2.2,91.6,224,0,0,4,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
5-CHLORO-2-NITROANISOLE,006627-53-8,81110,4-chloro-2-methoxy-1-nitrobenzene,COC1=C(C=CC(=C1)Cl)[N+](=O)[O-],"InChI=1S/C7H6ClNO3/c1-12-7-4-5(8)2-3-6(7)9(10)11/h2-4H,1H3",ABEUJUYEUCCZQF-UHFFFAOYSA-N,C7H6ClNO3,187.58,187.0036207,2.4,55.1,171,0,0,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-NITROBENZOIC ACID,000552-16-9,11087,2-nitrobenzoic acid,C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-],"InChI=1S/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)",SLAMLWHELXOEJZ-UHFFFAOYSA-N,C7H5NO4,167.12,167.0218576,1.5,83.1,198,0,1,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-HYDROXY-4-METHOXYCINNAMIC ACID,000537-73-5,736186,(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid,COC1=C(C=C(C=C1)/C=C/C(=O)O)O,"InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",QURCVMIEKCOAJU-HWKANZROSA-N,C10H10O4,194.18,194.0579088,1.5,66.8,224,0,2,4,3,14,,409.00 to 411.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,5-TRIETHYLBENZENE",000102-25-0,7602,"1,3,5-triethylbenzene",CCC1=CC(=CC(=C1)CC)CC,"InChI=1S/C12H18/c1-4-10-7-11(5-2)9-12(6-3)8-10/h7-9H,4-6H2,1-3H3",WJYMPXJVHNDZHD-UHFFFAOYSA-N,C12H18,162.27,162.1408506,4.3,0,81,0,0,0,3,12,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
4-HYDROXYPHENETHYL ALCOHOL,000501-94-0,10393,4-(2-hydroxyethyl)phenol,C1=CC(=CC=C1CCO)O,"InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2",YCCILVSKPBXVIP-UHFFFAOYSA-N,C8H10O2,138.16,138.0680796,0.4,40.5,85,0,2,2,2,10,,308.00 to 311.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,3-BENZENETRICARBOXYLIC ACID",000569-51-7,11288,"benzene-1,2,3-tricarboxylic acid",C1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)O,"InChI=1S/C9H6O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)",UJMDYLWCYJJYMO-UHFFFAOYSA-N,C9H6O6,210.14,210.0164379,0.3,112,275,0,3,6,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-AMINOPHTHALIC ACID,005434-20-8,79490,3-aminophthalic acid,C1=CC(=C(C(=C1)N)C(=O)O)C(=O)O,"InChI=1S/C8H7NO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)",WGLQHUKCXBXUDV-UHFFFAOYSA-N,C8H7NO4,181.15,181.0375077,0.8,101,228,0,3,5,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-FLUOROPHTHALIC ACID,001583-67-1,345381,3-fluorophthalic acid,C1=CC(=C(C(=C1)F)C(=O)O)C(=O)O,"InChI=1S/C8H5FO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)",BBCQSMSCEJBIRD-UHFFFAOYSA-N,C8H5FO4,184.12,184.0171868,1,74.6,228,0,2,5,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-NITROPHTHALIC ACID,000610-27-5,69121,4-nitrophthalic acid,C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O,"InChI=1S/C8H5NO6/c10-7(11)5-2-1-4(9(14)15)3-6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)",SLBQXWXKPNIVSQ-UHFFFAOYSA-N,C8H5NO6,211.13,211.0116869,0.9,120,296,0,2,6,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-AMINOBENZOIC ACID, ETHYL ESTER, METHANESULFONATE",000886-86-2,261501,ethyl 3-aminobenzoate;methanesulfonic acid,CCOC(=O)C1=CC(=CC=C1)N.CS(=O)(=O)O,"InChI=1S/C9H11NO2.CH4O3S/c1-2-12-9(11)7-4-3-5-8(10)6-7;1-5(2,3)4/h3-6H,2,10H2,1H3;1H3,(H,2,3,4)",FQZJYWMRQDKBQN-UHFFFAOYSA-N,C10H15NO5S,261.3,261.0670938,,115,251,0,2,6,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMO-4-FLUOROANISOLE,000452-08-4,136292,2-bromo-4-fluoro-1-methoxybenzene,COC1=C(C=C(C=C1)F)Br,"InChI=1S/C7H6BrFO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,1H3",JIQXVIJARQLCOY-UHFFFAOYSA-N,C7H6BrFO,205.02,203.95861,2.7,9.2,110,0,0,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BROMOHYDROQUINONE,000583-69-7,68502,"2-bromobenzene-1,4-diol",C1=CC(=C(C=C1O)Br)O,"InChI=1S/C6H5BrO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H",REFDOIWRJDGBHY-UHFFFAOYSA-N,C6H5BrO2,189.01,187.94729,2.2,40.5,97,0,2,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMO-2-FLUORO-6-NITROANISOLE,074266-66-3,557159,5-bromo-1-fluoro-2-methoxy-3-nitrobenzene,COC1=C(C=C(C=C1F)Br)[N+](=O)[O-],"InChI=1S/C7H5BrFNO3/c1-13-7-5(9)2-4(8)3-6(7)10(11)12/h2-3H,1H3",CVCAYLYLJKBSNV-UHFFFAOYSA-N,C7H5BrFNO3,250.02,248.94368,2.5,55.1,199,0,0,4,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-CHLOROBENZOIC ACID,000535-80-8,447,3-chlorobenzoic acid,C1=CC(=CC(=C1)Cl)C(=O)O,"InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)",LULAYUGMBFYYEX-UHFFFAOYSA-N,C7H5ClO2,156.56,155.9978071,2.7,37.3,136,0,1,2,1,10,,"Sublimes (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-HYDROXYBENZYL ALCOHOL,000623-05-2,125,4-(hydroxymethyl)phenol,C1=CC(=CC=C1CO)O,"InChI=1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2",BVJSUAQZOZWCKN-UHFFFAOYSA-N,C7H8O2,124.14,124.0524295,0.2,40.5,75,0,2,2,1,9,,252.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SYRINGIC ACID,000530-57-4,10742,"4-hydroxy-3,5-dimethoxybenzoic acid",COC1=CC(=CC(=C1O)OC)C(=O)O,"InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)",JMSVCTWVEWCHDZ-UHFFFAOYSA-N,C9H10O5,198.17,198.0528234,1,76,191,0,2,5,3,14,,440.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZAMIDINE HYDROCHLORIDE,001670-14-0,80289,benzenecarboximidamide;hydrochloride,C1=CC=C(C=C1)C(=N)N.Cl,"InChI=1S/C7H8N2.ClH/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H3,8,9);1H",LZCZIHQBSCVGRD-UHFFFAOYSA-N,C7H9ClN2,156.61,156.045426,,49.9,103,0,3,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
VANILLIC ACID,000121-34-6,8468,4-hydroxy-3-methoxybenzoic acid,COC1=C(C=CC(=C1)C(=O)O)O,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",WKOLLVMJNQIZCI-UHFFFAOYSA-N,C8H8O4,168.15,168.0422587,1.4,66.8,168,0,2,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DIMETHOXY-4-HYDROXYCINNAMIC ACID",000530-59-6,10743,"3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid",COC1=CC(=CC(=C1O)OC)C=CC(=O)O,"InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)",PCMORTLOPMLEFB-UHFFFAOYSA-N,C11H12O5,224.21,224.0684735,1.5,76,249,0,2,5,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRANS-4-(TRIFLUOROMETHYL)CINNAMIC ACID,016642-92-5,688070,(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid,C1=CC(=CC=C1/C=C/C(=O)O)C(F)(F)F,"InChI=1S/C10H7F3O2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)/b6-3+",ANRMAUMHJREENI-ZZXKWVIFSA-N,C10H7F3O2,216.16,216.039814,3,37.3,250,0,1,5,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-HEXYLOXYBENZALDEHYDE,005736-94-7,79816,4-hexoxybenzaldehyde,CCCCCCOC1=CC=C(C=C1)C=O,"InChI=1S/C13H18O2/c1-2-3-4-5-10-15-13-8-6-12(11-14)7-9-13/h6-9,11H,2-5,10H2,1H3",GWXUVWKBVROFDM-UHFFFAOYSA-N,C13H18O2,206.28,206.1306798,3.8,26.3,160,0,0,2,7,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMMONIUM SALICYLATE,000528-94-9,54697583,azanium 2-carboxyphenolate,C1=CC=C(C(=C1)C(=O)O)[O-].[NH4+],"InChI=1S/C7H6O3.H3N/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);1H3",BOFZOTMTKBQRAB-UHFFFAOYSA-N,C7H9NO3,155.15,155.0582431,,61.4,133,0,2,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-PHENYL-N-HEXANOL,002430-16-2,520110,6-phenylhexan-1-ol,C1=CC=C(C=C1)CCCCCCO,"InChI=1S/C12H18O/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10,13H,1-2,4,7-8,11H2",FDXBUMXUJRZANT-UHFFFAOYSA-N,C12H18O,178.27,178.1357652,3.9,20.2,106,0,1,1,6,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-IODOBENZOIC ACID,000619-58-9,12085,4-iodobenzoic acid,C1=CC(=CC=C1C(=O)O)I,"InChI=1S/C7H5IO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)",GHICCUXQJBDNRN-UHFFFAOYSA-N,C7H5IO2,248.02,247.93343,3,37.3,128,0,1,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-FLUORO-3-IODOBENZENE,001121-86-4,70725,1-fluoro-3-iodobenzene,C1=CC(=CC(=C1)I)F,InChI=1S/C6H4FI/c7-5-2-1-3-6(8)4-5/h1-4H,VSKSBSORLCDRHS-UHFFFAOYSA-N,C6H4FI,222,221.93418,3.4,0,74,0,0,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CONIFERYL ALCOHOL,000458-35-5,1549095,4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenol,COC1=C(C=CC(=C1)/C=C/CO)O,"InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+",JMFRWRFFLBVWSI-NSCUHMNNSA-N,C10H12O3,180.2,180.0786442,1.4,49.7,168,0,2,3,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-HYDROXY-3-METHOXYBENZYL ALCOHOL,000498-00-0,62348,4-(hydroxymethyl)-2-methoxyphenol,COC1=C(C=CC(=C1)CO)O,"InChI=1S/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3",ZENOXNGFMSCLLL-UHFFFAOYSA-N,C8H10O3,154.16,154.0629942,0,49.7,116,0,2,3,2,11,,312.00 to 313.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-DIMETHOXYCINNAMIC ACID",002316-26-9,16848,"3-(3,4-dimethoxyphenyl)prop-2-enoic acid",COC1=C(C=C(C=C1)C=CC(=O)O)OC,"InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)",HJBWJAPEBGSQPR-UHFFFAOYSA-N,C11H12O4,208.21,208.0735589,1.8,55.8,237,0,1,4,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL 4-CHLOROBENZOATE,001126-46-1,14307,methyl 4-chlorobenzoate,COC(=O)C1=CC=C(C=C1)Cl,"InChI=1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3",LXNFVVDCCWUUKC-UHFFFAOYSA-N,C8H7ClO2,170.59,170.0134572,2.8,26.3,139,0,0,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZENEHEXANOIC ACID,005581-75-9,79695,6-phenylhexanoic acid,C1=CC=C(C=C1)CCCCCC(=O)O,"InChI=1S/C12H16O2/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,13,14)",JTXZPQIXIXYMDY-UHFFFAOYSA-N,C12H16O2,192.25,192.1150297,3.3,37.3,160,0,1,2,6,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3'-CHLOROPROPIOPHENONE,034841-35-5,587128,1-(3-chlorophenyl)propan-1-one,CCC(=O)C1=CC(=CC=C1)Cl,"InChI=1S/C9H9ClO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3",PQWGFUFROKIJBO-UHFFFAOYSA-N,C9H9ClO,168.62,168.0341926,3,17.1,144,0,0,1,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,3,4-TETRAMETHYLBENZENE",000488-23-3,10263,"1,2,3,4-tetramethylbenzene",CC1=C(C(=C(C=C1)C)C)C,"InChI=1S/C10H14/c1-7-5-6-8(2)10(4)9(7)3/h5-6H,1-4H3",UOHMMEJUHBCKEE-UHFFFAOYSA-N,C10H14,134.22,134.1095504,4,0,92,0,0,0,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,3,5-TETRAMETHYLBENZENE",000527-53-7,10695,"1,2,3,5-tetramethylbenzene",CC1=CC(=C(C(=C1)C)C)C,"InChI=1S/C10H14/c1-7-5-8(2)10(4)9(3)6-7/h5-6H,1-4H3",BFIMMTCNYPIMRN-UHFFFAOYSA-N,C10H14,134.22,134.1095504,4,0,94,0,0,0,0,10,"146 °F (USCG, 1999)","388.4 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2'-BROMOACETOPHENONE,002142-69-0,75060,1-(2-bromophenyl)ethanone,CC(=O)C1=CC=CC=C1Br,"InChI=1S/C8H7BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3",PIMNFNXBTGPCIL-UHFFFAOYSA-N,C8H7BrO,199.04,197.96803,2.2,17.1,133,0,0,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-ETHYL-6-SEC-BUTYLANILINE,071758-10-6,135507,2-butan-2-yl-6-ethylaniline,CCC1=C(C(=CC=C1)C(C)CC)N,"InChI=1S/C12H19N/c1-4-9(3)11-8-6-7-10(5-2)12(11)13/h6-9H,4-5,13H2,1-3H3",ZZWRNKKMYDEAIK-UHFFFAOYSA-N,C12H19N,177.29,177.1517496,3.7,26,144,0,1,1,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-AMINOBENZAMIDINE DIHYDROCHLORIDE,002498-50-2,75626,4-aminobenzenecarboximidamide;dihydrochloride,C1=CC(=CC=C1C(=N)N)N.Cl.Cl,"InChI=1S/C7H9N3.2ClH/c8-6-3-1-5(2-4-6)7(9)10;;/h1-4H,8H2,(H3,9,10);2*1H",GHEHNICLPWTXJC-UHFFFAOYSA-N,C7H11Cl2N3,208.09,207.0330028,,75.9,125,0,5,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYL PHENYL SULFIDE,000622-38-8,12144,ethylsulfanylbenzene,CCSC1=CC=CC=C1,"InChI=1S/C8H10S/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3",AEHWKBXBXYNPCX-UHFFFAOYSA-N,C8H10S,138.23,138.0503215,3.2,25.3,65,0,0,1,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINOBENZALDEHYDE,000529-23-7,68255,2-aminobenzaldehyde,C1=CC=C(C(=C1)C=O)N,"InChI=1S/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-5H,8H2",FXWFZIRWWNPPOV-UHFFFAOYSA-N,C7H7NO,121.14,121.0527638,1.6,43.1,103,0,1,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-FLUOROPHENYLACETIC ACID,000405-50-5,9837,2-(4-fluorophenyl)acetic acid,C1=CC(=CC=C1CC(=O)O)F,"InChI=1S/C8H7FO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)",MGKPFALCNDRSQD-UHFFFAOYSA-N,C8H7FO2,154.14,154.0430076,1.6,37.3,139,0,1,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-FLUOROPHENYLACETIC ACID,000331-25-9,67617,2-(3-fluorophenyl)acetic acid,C1=CC(=CC(=C1)F)CC(=O)O,"InChI=1S/C8H7FO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)",YEAUYVGUXSZCFI-UHFFFAOYSA-N,C8H7FO2,154.14,154.0430076,1.7,37.3,147,0,1,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-FLUOROPHENYLACETIC ACID,000451-82-1,67979,2-(2-fluorophenyl)acetic acid,C1=CC=C(C(=C1)CC(=O)O)F,"InChI=1S/C8H7FO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)",RPTRFSADOICSSK-UHFFFAOYSA-N,C8H7FO2,154.14,154.0430076,1.5,37.3,147,0,1,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-METHOXYCATECHOL,000934-00-9,13622,"3-methoxybenzene-1,2-diol",COC1=CC=CC(=C1O)O,"InChI=1S/C7H8O3/c1-10-6-4-2-3-5(8)7(6)9/h2-4,8-9H,1H3",LPYUENQFPVNPHY-UHFFFAOYSA-N,C7H8O3,140.14,140.0473441,0.8,49.7,105,0,2,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-(4-HYDROXYPHENYL)PROPIONIC ACID,000501-97-3,10394,3-(4-hydroxyphenyl)propanoic acid,C1=CC(=CC=C1CCC(=O)O)O,"InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)",NMHMNPHRMNGLLB-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.2,57.5,148,0,2,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-HYDROXYPHENYLACETIC ACID,000156-38-7,127,2-(4-hydroxyphenyl)acetic acid,C1=CC(=CC=C1CC(=O)O)O,"InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)",XQXPVVBIMDBYFF-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,0.8,57.5,136,0,2,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CARBOXYBENZALDEHYDE,000119-67-5,8406,2-formylbenzoic acid,C1=CC=C(C(=C1)C=O)C(=O)O,"InChI=1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11)",DYNFCHNNOHNJFG-UHFFFAOYSA-N,C8H6O3,150.13,150.031694,1,54.4,165,0,1,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-HYDROXY-4-METHOXYBENZALDEHYDE,000621-59-0,12127,3-hydroxy-4-methoxybenzaldehyde,COC1=C(C=C(C=C1)C=O)O,"InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3",JVTZFYYHCGSXJV-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,1,46.5,135,0,1,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(METHYLMERCAPTO)PHENOL,001073-72-9,14086,4-methylsulfanylphenol,CSC1=CC=C(C=C1)O,"InChI=1S/C7H8OS/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3",QASBCTGZKABPKX-UHFFFAOYSA-N,C7H8OS,140.2,140.0295861,2.1,45.5,77,0,1,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DIHYDROXYBENZOIC ACID",000089-86-1,1491,"2,4-dihydroxybenzoic acid",C1=CC(=C(C=C1O)O)C(=O)O,"InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)",UIAFKZKHHVMJGS-UHFFFAOYSA-N,C7H6O4,154.12,154.0266087,1.6,77.8,157,0,3,4,1,11,,309.00 to 310.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-DIHYDROXYBENZOIC ACID",000303-38-8,19,"2,3-dihydroxybenzoic acid",C1=CC(=C(C(=C1)O)O)C(=O)O,"InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)",GLDQAMYCGOIJDV-UHFFFAOYSA-N,C7H6O4,154.12,154.0266087,1.2,77.8,157,0,3,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DIHYDROXYBENZOIC ACID",000099-10-5,7424,"3,5-dihydroxybenzoic acid",C1=C(C=C(C=C1O)O)C(=O)O,"InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)",UYEMGAFJOZZIFP-UHFFFAOYSA-N,C7H6O4,154.12,154.0266087,0.9,77.8,147,0,3,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHYL BENZYLMALONATE,000607-81-8,69090,diethyl 2-benzylpropanedioate,CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC,"InChI=1S/C14H18O4/c1-3-17-13(15)12(14(16)18-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3",ICZLTZWATFXDLP-UHFFFAOYSA-N,C14H18O4,250.29,250.1205091,2.8,52.6,251,0,0,4,8,18,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-NITRO-1,2-PHENYLENEDIAMINE",003694-52-8,4359525,"3-nitrobenzene-1,2-diamine",C1=CC(=C(C(=C1)[N+](=O)[O-])N)N,"InChI=1S/C6H7N3O2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,7-8H2",IOCXBXZBNOYTLQ-UHFFFAOYSA-N,C6H7N3O2,153.14,153.0538265,1.3,97.9,156,0,2,4,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-PHENYLDECANE,000104-72-3,7716,decylbenzene,CCCCCCCCCCC1=CC=CC=C1,"InChI=1S/C16H26/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h9,11-12,14-15H,2-8,10,13H2,1H3",UZILCZKGXMQEQR-UHFFFAOYSA-N,C16H26,218.38,218.2034508,7.7,0,133,0,0,0,9,16,"225 °F (USCG, 1999)","572 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BROMO-4-BUTYLBENZENE,041492-05-1,521059,1-bromo-4-butylbenzene,CCCCC1=CC=C(C=C1)Br,"InChI=1S/C10H13Br/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3",BRGVKVZXDWGJBX-UHFFFAOYSA-N,C10H13Br,213.11,212.02006,4.4,0,93,0,0,0,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-NITROBENZALDEHYDE HYDRAZONE,006310-10-7,9561280,(E)-(4-nitrophenyl)methylidenehydrazine,C1=CC(=CC=C1/C=N/N)[N+](=O)[O-],"InChI=1S/C7H7N3O2/c8-9-5-6-1-3-7(4-2-6)10(11)12/h1-5H,8H2/b9-5+",XSMGFCXFKFLEMI-WEVVVXLNSA-N,C7H7N3O2,165.15,165.0538265,1.6,84.2,180,0,1,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIMETHYLBENZOIC ACID",000632-46-2,12439,"2,6-dimethylbenzoic acid",CC1=C(C(=CC=C1)C)C(=O)O,"InChI=1S/C9H10O2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)",HCBHQDKBSKYGCK-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,2.2,37.3,144,0,1,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXY-5-METHOXYBENZALDEHYDE,000672-13-9,95695,2-hydroxy-5-methoxybenzaldehyde,COC1=CC(=C(C=C1)O)C=O,"InChI=1S/C8H8O3/c1-11-7-2-3-8(10)6(4-7)5-9/h2-5,10H,1H3",FZHSPPYCNDYIKD-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,1.8,46.5,135,0,1,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-METHOXYSALICYLIC ACID,002612-02-4,75787,2-hydroxy-5-methoxybenzoic acid,COC1=CC(=C(C=C1)O)C(=O)O,"InChI=1S/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)",IZZIWIAOVZOBLF-UHFFFAOYSA-N,C8H8O4,168.15,168.0422587,2.5,66.8,168,0,2,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-METHYLANTHRANILIC ACID,000119-68-6,6942392,2-(methylamino)benzoate,CNC1=CC=CC=C1C(=O)[O-],"InChI=1S/C8H9NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h2-5,9H,1H3,(H,10,11)/p-1",WVMBPWMAQDVZCM-UHFFFAOYSA-M,C8H8NO2-,150.15,150.0555035,2.6,52.2,142,-1,1,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DICHLOROBENZOIC ACID",000050-79-3,5784,"2,5-dichlorobenzoic acid",C1=CC(=C(C=C1Cl)C(=O)O)Cl,"InChI=1S/C7H4Cl2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)",QVTQYSFCFOGITD-UHFFFAOYSA-N,C7H4Cl2O2,191.01,189.9588348,2.8,37.3,161,0,1,2,1,11,,"574 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DICHLOROBENZOIC ACID",000050-30-6,5758,"2,6-dichlorobenzoic acid",C1=CC(=C(C(=C1)Cl)C(=O)O)Cl,"InChI=1S/C7H4Cl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)",MRUDNSFOFOQZDA-UHFFFAOYSA-N,C7H4Cl2O2,191.01,189.9588348,2.2,37.3,151,0,1,2,1,11,,"Sublimes (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
META-ANISALDEHYDE,000591-31-1,11569,3-methoxybenzaldehyde,COC1=CC=CC(=C1)C=O,"InChI=1S/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3",WMPDAIZRQDCGFH-UHFFFAOYSA-N,C8H8O2,136.15,136.0524295,1.8,26.3,112,0,0,2,2,10,,143.00 °C. @ 50.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-VINYLBENZOIC ACID,001075-49-6,14098,4-ethenylbenzoic acid,C=CC1=CC=C(C=C1)C(=O)O,"InChI=1S/C9H8O2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2,(H,10,11)",IRQWEODKXLDORP-UHFFFAOYSA-N,C9H8O2,148.16,148.0524295,2.7,37.3,155,0,1,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYL PHENYLPROPIOLATE,002216-94-6,91516,ethyl 3-phenylprop-2-ynoate,CCOC(=O)C#CC1=CC=CC=C1,"InChI=1S/C11H10O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2H2,1H3",ACJOYTKWHPEIHW-UHFFFAOYSA-N,C11H10O2,174.2,174.0680796,2.7,26.3,225,0,0,2,3,13,"235 °F (NTP, 1992)","500 to 518 °F at 760 mmHg (decomposes) (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"(R)-(+)-N,N-DIMETHYL-1-PHENETHYLAMINE",019342-01-9,103034,"(1R)-N,N-dimethyl-1-phenylethanamine",C[C@H](C1=CC=CC=C1)N(C)C,"InChI=1S/C10H15N/c1-9(11(2)3)10-7-5-4-6-8-10/h4-9H,1-3H3/t9-/m1/s1",BVURNMLGDQYNAF-SECBINFHSA-N,C10H15N,149.23,149.1204495,2.2,3.2,103,0,0,1,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL 3-(4-HYDROXYPHENYL)PROPIONATE,005597-50-2,79706,methyl 3-(4-hydroxyphenyl)propanoate,COC(=O)CCC1=CC=C(C=C1)O,"InChI=1S/C10H12O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6,11H,4,7H2,1H3",XRAMJHXWXCMGJM-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,2,46.5,160,0,1,3,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ISOPHTHALALDEHYDE,000626-19-7,34777,"benzene-1,3-dicarbaldehyde",C1=CC(=CC(=C1)C=O)C=O,InChI=1S/C8H6O2/c9-5-7-2-1-3-8(4-7)6-10/h1-6H,IZALUMVGBVKPJD-UHFFFAOYSA-N,C8H6O2,134.13,134.0367794,1.2,34.1,117,0,0,2,2,10,,246 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1S,2R)-(+)-N-METHYLEPHEDRINE",042151-56-4,102023,"(1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol",C[C@H]([C@H](C1=CC=CC=C1)O)N(C)C,"InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3/t9-,11-/m1/s1",FMCGSUUBYTWNDP-MWLCHTKSSA-N,C11H17NO,179.26,179.1310142,1.7,23.5,141,0,1,2,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXYPHENYLACETIC ACID,000614-75-5,11970,2-(2-hydroxyphenyl)acetic acid,C1=CC=C(C(=C1)CC(=O)O)O,"InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)",CCVYRRGZDBSHFU-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,0.9,57.5,144,0,2,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-HYDROXYCINNAMIC ACID,014755-02-3,637541,(E)-3-(3-hydroxyphenyl)prop-2-enoic acid,C1=CC(=CC(=C1)O)/C=C/C(=O)O,"InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+",KKSDGJDHHZEWEP-SNAWJCMRSA-N,C9H8O3,164.16,164.0473441,1.8,57.5,186,0,2,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HOMOVANILLIC ACID,000306-08-1,1738,2-(4-hydroxy-3-methoxyphenyl)acetic acid,COC1=C(C=CC(=C1)CC(=O)O)O,"InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)",QRMZSPFSDQBLIX-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,0.4,66.8,180,0,2,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TYRAMINE,000051-67-2,5610,4-(2-aminoethyl)phenol,C1=CC(=CC=C1CCN)O,"InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2",DZGWFCGJZKJUFP-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,1.1,46.3,87,0,2,2,2,10,,166 °C @ 2 MM HG,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
D-PHENYLALANINE,000673-06-3,71567,(2R)-2-amino-3-phenylpropanoic acid,C1=CC=C(C=C1)C[C@H](C(=O)O)N,"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1",COLNVLDHVKWLRT-MRVPVSSYSA-N,C9H11NO2,165.19,165.0789786,-1.5,63.3,153,0,2,3,3,12,,"563 °F at 760 mmHg (Sublimes) (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHYLPHENYLPHOSPHINE,001605-53-4,74149,diethyl(phenyl)phosphane,CCP(CC)C1=CC=CC=C1,"InChI=1S/C10H15P/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3",LVTCZSBUROAWTE-UHFFFAOYSA-N,C10H15P,166.2,166.0911375,2.2,0,91,0,0,0,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-HYDROXY-3-NITROBENZALDEHYDE,003011-34-5,18169,4-hydroxy-3-nitrobenzaldehyde,C1=CC(=C(C=C1C=O)[N+](=O)[O-])O,"InChI=1S/C7H5NO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10H",YTHJCZRFJGXPTL-UHFFFAOYSA-N,C7H5NO4,167.12,167.0218576,1.5,83.1,188,0,1,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DINITRO-1-IODOBENZENE",000709-49-9,69730,"1-iodo-2,4-dinitrobenzene",C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])I,InChI=1S/C6H3IN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,FXMKXMJLXRTQSW-UHFFFAOYSA-N,C6H3IN2O4,294,293.91375,2.3,91.6,224,0,0,4,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"3,5-DI-TERT-BUTYLCATECHOL",001020-31-1,66099,"3,5-ditert-butylbenzene-1,2-diol",CC(C)(C)C1=CC(=C(C(=C1)O)O)C(C)(C)C,"InChI=1S/C14H22O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,15-16H,1-6H3",PJZLSMMERMMQBJ-UHFFFAOYSA-N,C14H22O2,222.32,222.1619799,4.6,40.5,234,0,2,2,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-AMINOSALICYLIC ACID,000089-57-6,4075,5-amino-2-hydroxybenzoic acid,C1=CC(=C(C=C1N)C(=O)O)O,"InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)",KBOPZPXVLCULAV-UHFFFAOYSA-N,C7H7NO3,153.14,153.0425931,1.3,83.6,160,0,3,4,1,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
D-TYROSINE,000556-02-5,71098,(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid,C1=CC(=CC=C1C[C@H](C(=O)O)N)O,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1",OUYCCCASQSFEME-MRVPVSSYSA-N,C9H11NO3,181.19,181.0738932,-2.3,83.6,176,0,3,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DIMETHYLBENZOIC ACID",000611-01-8,11897,"2,4-dimethylbenzoic acid",CC1=CC(=C(C=C1)C(=O)O)C,"InChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3,(H,10,11)",BKYWPNROPGQIFZ-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,2.8,37.3,154,0,1,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DIMETHYLBENZOIC ACID",000499-06-9,10356,"3,5-dimethylbenzoic acid",CC1=CC(=CC(=C1)C(=O)O)C,"InChI=1S/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11)",UMVOQQDNEYOJOK-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,2.2,37.3,144,0,1,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-TERT-BUTYLANILINE,006310-21-0,80574,2-tert-butylaniline,CC(C)(C)C1=CC=CC=C1N,"InChI=1S/C10H15N/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7H,11H2,1-3H3",AEIOZWYBDBVCGW-UHFFFAOYSA-N,C10H15N,149.23,149.1204495,3,26,123,0,1,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHYL PHENYLMALONATE,000083-13-6,66514,diethyl 2-phenylpropanedioate,CCOC(=O)C(C1=CC=CC=C1)C(=O)OCC,"InChI=1S/C13H16O4/c1-3-16-12(14)11(13(15)17-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3",FGYDHYCFHBSNPE-UHFFFAOYSA-N,C13H16O4,236.26,236.104859,2.6,52.6,238,0,0,4,7,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HYDROCINNAMALDEHYDE,000104-53-0,7707,3-phenylpropanal,C1=CC=C(C=C1)CCC=O,"InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2",YGCZTXZTJXYWCO-UHFFFAOYSA-N,C9H10O,134.17,134.0731649,1.3,17.1,92,0,0,1,3,10,,97.00 to 98.00 °C. @ 12.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3,5-DIIODOSALICYLIC ACID MONOLITHIUM SALT",000653-14-5,2735070,"lithium 2-hydroxy-3,5-diiodobenzoate",[Li+].C1=C(C=C(C(=C1C(=O)[O-])O)I)I,"InChI=1S/C7H4I2O3.Li/c8-3-1-4(7(11)12)6(10)5(9)2-3;/h1-2,10H,(H,11,12);/q;+1/p-1",HLBRJWWTLIAOTE-UHFFFAOYSA-M,C7H3I2LiO3,395.9,395.83317,,60.4,191,0,1,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-AMINO-4,5-DIMETHOXYBENZOIC ACID",005653-40-7,79736,"2-amino-4,5-dimethoxybenzoic acid",COC1=C(C=C(C(=C1)C(=O)O)N)OC,"InChI=1S/C9H11NO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,10H2,1-2H3,(H,11,12)",HJVAVGOPTDJYOJ-UHFFFAOYSA-N,C9H11NO4,197.19,197.0688078,1.3,81.8,209,0,2,5,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DIAMINOBENZOIC ACID",000535-87-5,12062,"3,5-diaminobenzoic acid",C1=C(C=C(C=C1N)N)C(=O)O,"InChI=1S/C7H8N2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,8-9H2,(H,10,11)",UENRXLSRMCSUSN-UHFFFAOYSA-N,C7H8N2O2,152.15,152.0585775,0.2,89.3,151,0,3,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-AMINOPHENYLACETIC ACID,001197-55-3,14533,2-(4-aminophenyl)acetic acid,C1=CC(=CC=C1CC(=O)O)N,"InChI=1S/C8H9NO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5,9H2,(H,10,11)",CSEWAUGPAQPMDC-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,0.9,63.3,139,0,2,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-HYDROXYTHIOPHENOL,000637-89-8,240147,4-sulfanylphenol,C1=CC(=CC=C1O)S,"InChI=1S/C6H6OS/c7-5-1-3-6(8)4-2-5/h1-4,7-8H",BXAVKNRWVKUTLY-UHFFFAOYSA-N,C6H6OS,126.18,126.013936,1.1,21.2,66,0,2,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-DIMETHYLAMINOBENZOIC ACID,000099-64-9,66837,3-(dimethylamino)benzoic acid,CN(C)C1=CC=CC(=C1)C(=O)O,"InChI=1S/C9H11NO2/c1-10(2)8-5-3-4-7(6-8)9(11)12/h3-6H,1-2H3,(H,11,12)",NEGFNJRAUMCZMY-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,1.6,40.5,168,0,1,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-DIMETHYLAMINOCINNAMALDEHYDE,006203-18-5,5284506,(E)-3-[4-(dimethylamino)phenyl]prop-2-enal,CN(C)C1=CC=C(C=C1)/C=C/C=O,"InChI=1S/C11H13NO/c1-12(2)11-7-5-10(6-8-11)4-3-9-13/h3-9H,1-2H3/b4-3+",RUKJCCIJLIMGEP-ONEGZZNKSA-N,C11H13NO,175.23,175.099714,2.3,20.3,179,0,0,2,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-PHENYL-1-BUTYNE,000622-76-4,69328,but-1-ynylbenzene,CCC#CC1=CC=CC=C1,"InChI=1S/C10H10/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2H2,1H3",FFFMSANAQQVUJA-UHFFFAOYSA-N,C10H10,130.19,130.0782503,3.1,0,138,0,0,0,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2',3',4'-TRIHYDROXYACETOPHENONE",000528-21-2,10706,"1-(2,3,4-trihydroxyphenyl)ethanone",CC(=O)C1=C(C(=C(C=C1)O)O)O,"InChI=1S/C8H8O4/c1-4(9)5-2-3-6(10)8(12)7(5)11/h2-3,10-12H,1H3",XIROXSOOOAZHLL-UHFFFAOYSA-N,C8H8O4,168.15,168.0422587,1.1,77.8,180,0,3,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEXYL VANILLATE,084375-71-3,128609,hexyl 4-hydroxy-3-methoxybenzoate,CCCCCCOC(=O)C1=CC(=C(C=C1)O)OC,"InChI=1S/C14H20O4/c1-3-4-5-6-9-18-14(16)11-7-8-12(15)13(10-11)17-2/h7-8,10,15H,3-6,9H2,1-2H3",XMZOLZUIEQZXOB-UHFFFAOYSA-N,C14H20O4,252.31,252.1361591,4.1,55.8,242,0,1,4,8,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ORTHO-ANISALDEHYDE,000135-02-4,8658,2-methoxybenzaldehyde,COC1=CC=CC=C1C=O,"InChI=1S/C8H8O2/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3",PKZJLOCLABXVMC-UHFFFAOYSA-N,C8H8O2,136.15,136.0524295,1.7,26.3,112,0,0,2,2,10,,238.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BROMOPENTAMETHYLBENZENE,005153-40-2,78831,"1-bromo-2,3,4,5,6-pentamethylbenzene",CC1=C(C(=C(C(=C1C)C)Br)C)C,InChI=1S/C11H15Br/c1-6-7(2)9(4)11(12)10(5)8(6)3/h1-5H3,XPDQRULPGCFCLX-UHFFFAOYSA-N,C11H15Br,227.14,226.03571,4.4,0,139,0,0,0,0,12,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHYL-2-NITROPHENOL,000119-33-5,8391,4-methyl-2-nitrophenol,CC1=CC(=C(C=C1)O)[N+](=O)[O-],"InChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3",SYDNSSSQVSOXTN-UHFFFAOYSA-N,C7H7NO3,153.14,153.0425931,2.4,66.1,154,0,1,3,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-METHOXYACETOPHENONE,004079-52-1,77698,2-methoxy-1-phenylethanone,COCC(=O)C1=CC=CC=C1,"InChI=1S/C9H10O2/c1-11-7-9(10)8-5-3-2-4-6-8/h2-6H,7H2,1H3",YRNDGUSDBCARGC-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,1.5,26.3,126,0,0,2,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-FLUOROANTHRANILIC ACID,000446-32-2,2724967,2-amino-4-fluorobenzoic acid,C1=CC(=C(C=C1F)N)C(=O)O,"InChI=1S/C7H6FNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)",LGPVTNAJFDUWLF-UHFFFAOYSA-N,C7H6FNO2,155.13,155.0382566,2.2,63.3,163,0,2,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-FLUOROANTHRANILIC ACID,000446-08-2,101412,2-amino-5-fluorobenzoic acid,C1=CC(=C(C=C1F)C(=O)O)N,"InChI=1S/C7H6FNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)",FPQMGQZTBWIHDN-UHFFFAOYSA-N,C7H6FNO2,155.13,155.0382566,1,63.3,163,0,2,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-FLUOROBENZOIC ACID,000455-38-9,9968,3-fluorobenzoic acid,C1=CC(=CC(=C1)F)C(=O)O,"InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)",MXNBDFWNYRNIBH-UHFFFAOYSA-N,C7H5FO2,140.11,140.0273576,2.2,37.3,136,0,1,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-PHENYLPROPIONALDEHYDE,000093-53-8,7146,2-phenylpropanal,CC(C=O)C1=CC=CC=C1,"InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3",IQVAERDLDAZARL-UHFFFAOYSA-N,C9H10O,134.17,134.0731649,1.9,17.1,103,0,0,1,2,10,,92.00 to 94.00 °C. @ 12.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,1,0,0
4-(DIETHYLAMINO)SALICYLALDEHYDE,017754-90-4,87293,4-(diethylamino)-2-hydroxybenzaldehyde,CCN(CC)C1=CC(=C(C=C1)C=O)O,"InChI=1S/C11H15NO2/c1-3-12(4-2)10-6-5-9(8-13)11(14)7-10/h5-8,14H,3-4H2,1-2H3",XFVZSRRZZNLWBW-UHFFFAOYSA-N,C11H15NO2,193.24,193.1102787,2.4,40.5,180,0,1,3,4,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
2-BROMOANISOLE,000578-57-4,11358,1-bromo-2-methoxybenzene,COC1=CC=CC=C1Br,"InChI=1S/C7H7BrO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3",HTDQSWDEWGSAMN-UHFFFAOYSA-N,C7H7BrO,187.03,185.96803,2.9,9.2,85,0,0,1,1,9,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
3-BUTYNYL-P-TOLUENE SULFONATE,023418-85-1,272020,but-3-ynyl 4-methylbenzenesulfonate,CC1=CC=C(C=C1)S(=O)(=O)OCCC#C,"InChI=1S/C11H12O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h1,5-8H,4,9H2,2H3",STOASOOVVADOKH-UHFFFAOYSA-N,C11H12O3S,224.28,224.0507154,2,51.8,323,0,0,3,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,5-BENZENETRICARBOXYLIC ACID",000554-95-0,11138,"benzene-1,3,5-tricarboxylic acid",C1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)O,"InChI=1S/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)",QMKYBPDZANOJGF-UHFFFAOYSA-N,C9H6O6,210.14,210.0164379,0.5,112,237,0,3,6,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-AMINO-4-METHOXYBENZOIC ACID,002840-26-8,17823,3-amino-4-methoxybenzoic acid,COC1=C(C=C(C=C1)C(=O)O)N,"InChI=1S/C8H9NO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,9H2,1H3,(H,10,11)",FDGAEAYZQQCBRN-UHFFFAOYSA-N,C8H9NO3,167.16,167.0582431,0.8,72.6,172,0,2,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3',5'-DIMETHOXY-4'-HYDROXYACETOPHENONE",002478-38-8,17198,"1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone",CC(=O)C1=CC(=C(C(=C1)OC)O)OC,"InChI=1S/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H3",OJOBTAOGJIWAGB-UHFFFAOYSA-N,C10H12O4,196.2,196.0735589,0.2,55.8,190,0,1,4,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DIBROMOBENZOIC ACID",000618-58-6,12063,"3,5-dibromobenzoic acid",C1=C(C=C(C=C1Br)Br)C(=O)O,"InChI=1S/C7H4Br2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)",SFTFNJZWZHASAQ-UHFFFAOYSA-N,C7H4Br2O2,279.91,279.85576,3,37.3,151,0,1,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,6-TRIMETHYLBENZOIC ACID",000480-63-7,10194,"2,4,6-trimethylbenzoic acid",CC1=CC(=C(C(=C1)C)C(=O)O)C,"InChI=1S/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12)",FFFIRKXTFQCCKJ-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,2.6,37.3,165,0,1,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-NITROPHENYL PENTYL ETHER,039645-91-5,231833,1-nitro-2-pentoxybenzene,CCCCCOC1=CC=CC=C1[N+](=O)[O-],"InChI=1S/C11H15NO3/c1-2-3-6-9-15-11-8-5-4-7-10(11)12(13)14/h4-5,7-8H,2-3,6,9H2,1H3",YRVCISCRAMHCFP-UHFFFAOYSA-N,C11H15NO3,209.24,209.1051933,3.5,55.1,191,0,0,3,5,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"3,5-DIMETHOXYPHENOL",000500-99-2,10383,"3,5-dimethoxyphenol",COC1=CC(=CC(=C1)O)OC,"InChI=1S/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H3",XQDNFAMOIPNVES-UHFFFAOYSA-N,C8H10O3,154.16,154.0629942,1.6,38.7,104,0,1,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DIHYDROXYTEREPHTHALIC ACID",000610-92-4,69131,"2,5-dihydroxyterephthalic acid",C1=C(C(=CC(=C1O)C(=O)O)O)C(=O)O,"InChI=1S/C8H6O6/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)",OYFRNYNHAZOYNF-UHFFFAOYSA-N,C8H6O6,198.13,198.0164379,1.4,115,224,0,4,6,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(4-BROMOPHENOXY)TRIMETHYLSILANE,017878-44-3,87350,(4-bromophenoxy)-trimethylsilane,C[Si](C)(C)OC1=CC=C(C=C1)Br,"InChI=1S/C9H13BrOSi/c1-12(2,3)11-9-6-4-8(10)5-7-9/h4-7H,1-3H3",HWKPTBHJWBSOOP-UHFFFAOYSA-N,C9H13BrOSi,245.19,243.9919,,9.2,136,0,0,1,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-PHENYLENEDIACETIC ACID",007325-46-4,81760,2-[4-(carboxymethyl)phenyl]acetic acid,C1=CC(=CC=C1CC(=O)O)CC(=O)O,"InChI=1S/C10H10O4/c11-9(12)5-7-1-2-8(4-3-7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)",SLWIPPZWFZGHEU-UHFFFAOYSA-N,C10H10O4,194.18,194.0579088,1,74.6,192,0,2,4,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ALPHA,ALPHA,ALPHA-TRIFLUORO-P-TOLUIC ACID",000455-24-3,9966,4-(trifluoromethyl)benzoic acid,C1=CC(=CC=C1C(=O)O)C(F)(F)F,"InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)",SWKPKONEIZGROQ-UHFFFAOYSA-N,C8H5F3O2,190.12,190.0241639,3.1,37.3,192,0,1,5,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"FORMALDEHYDE 2,4-DINITROPHENYLHYDRAZONE",001081-15-8,70655,"N-(methylideneamino)-2,4-dinitroaniline",C=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C7H6N4O4/c1-8-9-6-3-2-5(10(12)13)4-7(6)11(14)15/h2-4,9H,1H2",UEQLSLWCHGLSML-UHFFFAOYSA-N,C7H6N4O4,210.15,210.0389047,2.3,116,271,0,1,6,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(P-HYDROXYPHENYL)GLYCINE,000122-87-2,67149,2-(4-hydroxyanilino)acetic acid,C1=CC(=CC=C1NCC(=O)O)O,"InChI=1S/C8H9NO3/c10-7-3-1-6(2-4-7)9-5-8(11)12/h1-4,9-10H,5H2,(H,11,12)",WRUZLCLJULHLEY-UHFFFAOYSA-N,C8H9NO3,167.16,167.0582431,0.3,69.6,152,0,3,4,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BROMOBENZOIC ACID,000585-76-2,11456,3-bromobenzoic acid,C1=CC(=CC(=C1)Br)C(=O)O,"InChI=1S/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)",VOIZNVUXCQLQHS-UHFFFAOYSA-N,C7H5BrO2,201.02,199.94729,2.9,37.3,136,0,1,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-(PHENYLMETHOXY)-1-PROPANOL,004799-68-2,347971,3-phenylmethoxypropan-1-ol,C1=CC=C(C=C1)COCCCO,"InChI=1S/C10H14O2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2",FUCYABRIJPUVAT-UHFFFAOYSA-N,C10H14O2,166.22,166.0993797,1.2,29.5,98,0,1,2,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DIMETHOXYBENZALDEHYDE",000613-45-6,69175,"2,4-dimethoxybenzaldehyde",COC1=CC(=C(C=C1)C=O)OC,"InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-6H,1-2H3",LWRSYTXEQUUTKW-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.7,35.5,147,0,0,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IOHEXOL,066108-95-0,3730,"5-[acetyl(2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide",CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I,"InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)",NTHXOOBQLCIOLC-UHFFFAOYSA-N,C19H26I3N3O9,821.1,820.8803,-3,200,653,0,8,9,12,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
8-PHENYLOCTANOIC ACID,026547-51-3,520273,8-phenyloctanoic acid,C1=CC=C(C=C1)CCCCCCCC(=O)O,"InChI=1S/C14H20O2/c15-14(16)12-8-3-1-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11H,1-3,5,8-9,12H2,(H,15,16)",VZECIAZMSHBQOC-UHFFFAOYSA-N,C14H20O2,220.31,220.1463299,4.1,37.3,183,0,1,2,8,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-NITROBENZYLOXYAMINE HYDROCHLORIDE,002086-26-2,74967,O-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride,C1=CC(=CC=C1CON)[N+](=O)[O-].Cl,"InChI=1S/C7H8N2O3.ClH/c8-12-5-6-1-3-7(4-2-6)9(10)11;/h1-4H,5,8H2;1H",LKCAFSOYOMFQSL-UHFFFAOYSA-N,C7H9ClN2O3,204.61,204.0301698,,81.1,149,0,2,4,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-NITROBENZYL-N-N-PROPYLAMINE HYDROCHLORIDE,068133-98-2,109563,N-[(4-nitrophenyl)methyl]propan-1-amine;hydrochloride,CCCNCC1=CC=C(C=C1)[N+](=O)[O-].Cl,"InChI=1S/C10H14N2O2.ClH/c1-2-7-11-8-9-3-5-10(6-4-9)12(13)14;/h3-6,11H,2,7-8H2,1H3;1H",LWISLZIFEARHJI-UHFFFAOYSA-N,C10H15ClN2O2,230.69,230.0822054,,57.9,171,0,2,3,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BROMOMETHYL PHENYL SULFONE,019169-90-5,275696,bromomethylsulfonylbenzene,C1=CC=C(C=C1)S(=O)(=O)CBr,"InChI=1S/C7H7BrO2S/c8-6-11(9,10)7-4-2-1-3-5-7/h1-5H,6H2",SKIMEKUYIQHJQV-UHFFFAOYSA-N,C7H7BrO2S,235.1,233.93501,1.4,42.5,199,0,0,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMOTHIOANISOLE,019614-16-5,88166,1-bromo-2-methylsulfanylbenzene,CSC1=CC=CC=C1Br,"InChI=1S/C7H7BrS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3",ALAQDUSTXPEHMH-UHFFFAOYSA-N,C7H7BrS,203.1,201.94518,3.1,25.3,85,0,0,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DIHYDROXYPHENYLACETIC ACID",000451-13-8,780,"2-(2,5-dihydroxyphenyl)acetic acid",C1=CC(=C(C=C1O)CC(=O)O)O,"InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)",IGMNYECMUMZDDF-UHFFFAOYSA-N,C8H8O4,168.15,168.0422587,0.5,77.8,168,0,3,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4,5-TETRAAMINOBENZENE TETRAHYDROCHLORIDE",004506-66-5,78260,"benzene-1,2,4,5-tetramine;tetrahydrochloride",C1=C(C(=CC(=C1N)N)N)N.Cl.Cl.Cl.Cl,"InChI=1S/C6H10N4.4ClH/c7-3-1-4(8)6(10)2-5(3)9;;;;/h1-2H,7-10H2;4*1H",BZDGCIJWPWHAOF-UHFFFAOYSA-N,C6H14Cl4N4,284,283.994307,,104,90,0,8,4,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMOISOBUTYROPHENONE,010409-54-8,66324,2-bromo-2-methyl-1-phenylpropan-1-one,CC(C)(C(=O)C1=CC=CC=C1)Br,"InChI=1S/C10H11BrO/c1-10(2,11)9(12)8-6-4-3-5-7-8/h3-7H,1-2H3",QMOSZSHTSOWPRX-UHFFFAOYSA-N,C10H11BrO,227.1,225.99933,3,17.1,169,0,0,1,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-NITROCATECHOL SULFATE DIPOTASSIUM,014528-64-4,16219779,dipotassium;(5-nitro-2-oxidophenyl) sulfate,C1=CC(=C(C=C1[N+](=O)[O-])OS(=O)(=O)[O-])[O-].[K+].[K+],"InChI=1S/C6H5NO7S.2K/c8-5-2-1-4(7(9)10)3-6(5)14-15(11,12)13;;/h1-3,8H,(H,11,12,13);;/q;2*+1/p-2",CKWWBDCAYRJAJB-UHFFFAOYSA-L,C6H3K2NO7S,311.35,310.8904356,,144,315,0,0,7,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIMETHOXYTOLUENE",005673-07-4,79755,"1,3-dimethoxy-2-methylbenzene",CC1=C(C=CC=C1OC)OC,"InChI=1S/C9H12O2/c1-7-8(10-2)5-4-6-9(7)11-3/h4-6H,1-3H3",FPEUDBGJAVKAEE-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,2.9,18.5,102,0,0,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZYL ISOPENTYL ETHER,000122-73-6,31227,3-methylbutoxymethylbenzene,CC(C)CCOCC1=CC=CC=C1,"InChI=1S/C12H18O/c1-11(2)8-9-13-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3",RXXCIBALSKQCAE-UHFFFAOYSA-N,C12H18O,178.27,178.1357652,3.3,9.2,114,0,0,1,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,3-DIFLUOROBENZOIC ACID",004519-39-5,370590,"2,3-difluorobenzoic acid",C1=CC(=C(C(=C1)F)F)C(=O)O,"InChI=1S/C7H4F2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)",JLZVIWSFUPLSOR-UHFFFAOYSA-N,C7H4F2O2,158.1,158.0179357,1.9,37.3,161,0,1,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DIFLUOROBENZOIC ACID",001583-58-0,74102,"2,4-difluorobenzoic acid",C1=CC(=C(C=C1F)F)C(=O)O,"InChI=1S/C7H4F2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)",NJYBIFYEWYWYAN-UHFFFAOYSA-N,C7H4F2O2,158.1,158.0179357,1.9,37.3,161,0,1,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DIFLUOROBENZOIC ACID",002991-28-8,76339,"2,5-difluorobenzoic acid",C1=CC(=C(C=C1F)C(=O)O)F,"InChI=1S/C7H4F2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)",LBQMIAVIGLLBGW-UHFFFAOYSA-N,C7H4F2O2,158.1,158.0179357,1.8,37.3,161,0,1,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIFLUOROBENZOIC ACID",000385-00-2,9796,"2,6-difluorobenzoic acid",C1=CC(=C(C(=C1)F)C(=O)O)F,"InChI=1S/C7H4F2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)",ONOTYLMNTZNAQZ-UHFFFAOYSA-N,C7H4F2O2,158.1,158.0179357,1.6,37.3,151,0,1,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DIFLUOROBENZOIC ACID",000455-40-3,101265,"3,5-difluorobenzoic acid",C1=C(C=C(C=C1F)F)C(=O)O,"InChI=1S/C7H4F2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)",GONAVIHGXFBTOZ-UHFFFAOYSA-N,C7H4F2O2,158.1,158.0179357,1.8,37.3,151,0,1,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3,4,5-TETRAFLUOROBENZOIC ACID",001201-31-6,297549,"2,3,4,5-tetrafluorobenzoic acid",C1=C(C(=C(C(=C1F)F)F)F)C(=O)O,"InChI=1S/C7H2F4O2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,(H,12,13)",SFKRXQKJTIYUAG-UHFFFAOYSA-N,C7H2F4O2,194.08,193.999092,1.8,37.3,211,0,1,6,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3,4-TRIFLUOROBENZOIC ACID",061079-72-9,302932,"2,3,4-trifluorobenzoic acid",C1=CC(=C(C(=C1C(=O)O)F)F)F,"InChI=1S/C7H3F3O2/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2H,(H,11,12)",WEPXLRANFJEOFZ-UHFFFAOYSA-N,C7H3F3O2,176.09,176.0085138,1.7,37.3,185,0,1,5,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,6-TRIFLUOROBENZOIC ACID",028314-80-9,520373,"2,4,6-trifluorobenzoic acid",C1=C(C=C(C(=C1F)C(=O)O)F)F,"InChI=1S/C7H3F3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)",SJZATRRXUILGHH-UHFFFAOYSA-N,C7H3F3O2,176.09,176.0085138,1.7,37.3,173,0,1,5,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ALPHA,ALPHA,ALPHA-TRIFLUORO-O-TOLUIC ACID",000433-97-6,9899,2-(trifluoromethyl)benzoic acid,C1=CC=C(C(=C1)C(=O)O)C(F)(F)F,"InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)",FBRJYBGLCHWYOE-UHFFFAOYSA-N,C8H5F3O2,190.12,190.0241639,1.3,37.3,200,0,1,5,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUIC ACID",000454-92-2,9963,3-(trifluoromethyl)benzoic acid,C1=CC(=CC(=C1)C(F)(F)F)C(=O)O,"InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)",FQXQBFUUVCDIRK-UHFFFAOYSA-N,C8H5F3O2,190.12,190.0241639,3,37.3,200,0,1,5,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
M-BENZENEDISULFONIC ACID DISODIUM SALT,000831-59-4,71577,"disodium;benzene-1,3-disulfonate",C1=CC(=CC(=C1)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C6H6O6S2.2Na/c7-13(8,9)5-2-1-3-6(4-5)14(10,11)12;;/h1-4H,(H,7,8,9)(H,10,11,12);;/q;2*+1/p-2",XWPWZOJBTOJEGW-UHFFFAOYSA-L,C6H4Na2O6S2,282.2,281.9244688,,131,318,0,0,6,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-DIMETHOXYPHENOL",002033-89-8,16251,"3,4-dimethoxyphenol",COC1=C(C=C(C=C1)O)OC,"InChI=1S/C8H10O3/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5,9H,1-2H3",SMFFZOQLHYIRDA-UHFFFAOYSA-N,C8H10O3,154.16,154.0629942,1.7,38.7,116,0,1,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-HYDROXYISOPHTHALIC ACID,000618-83-7,69257,"5-hydroxybenzene-1,3-dicarboxylic acid",C1=C(C=C(C=C1C(=O)O)O)C(=O)O,"InChI=1S/C8H6O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)",QNVNLUSHGRBCLO-UHFFFAOYSA-N,C8H6O5,182.13,182.0215233,0.7,94.8,203,0,3,5,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"GALLIC ACID, MONOHYDRATE",005995-86-8,24721416,"3,4,5-trihydroxybenzoic acid;hydrate",C1=C(C=C(C(=C1O)O)O)C(=O)O.O,"InChI=1S/C7H6O5.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);1H2",IUTKPPDDLYYMBE-UHFFFAOYSA-N,C7H8O6,188.13,188.032088,,99,169,0,5,6,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"RESORCINOL, DIACETATE",000108-58-7,7942,(3-acetyloxyphenyl) acetate,CC(=O)OC1=CC(=CC=C1)OC(=O)C,"InChI=1S/C10H10O4/c1-7(11)13-9-4-3-5-10(6-9)14-8(2)12/h3-6H,1-2H3",STOUHHBZBQBYHH-UHFFFAOYSA-N,C10H10O4,194.18,194.0579088,1.4,52.6,202,0,0,4,4,14,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
HYDROQUINONE DIACETATE,001205-91-0,71006,(4-acetyloxyphenyl) acetate,CC(=O)OC1=CC=C(C=C1)OC(=O)C,"InChI=1S/C10H10O4/c1-7(11)13-9-3-5-10(6-4-9)14-8(2)12/h3-6H,1-2H3",AKOGNYJNGMLDOA-UHFFFAOYSA-N,C10H10O4,194.18,194.0579088,1.3,52.6,192,0,0,4,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYL PHTHALYLETHYLGLYCOLATE,000084-72-0,6785,"2-O-(2-ethoxy-2-oxoethyl) 1-O-ethyl benzene-1,2-dicarboxylate",CCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCC,"InChI=1S/C14H16O6/c1-3-18-12(15)9-20-14(17)11-8-6-5-7-10(11)13(16)19-4-2/h5-8H,3-4,9H2,1-2H3",PZBLUWVMZMXIKZ-UHFFFAOYSA-N,C14H16O6,280.27,280.0946882,2.4,78.9,352,0,0,6,9,20,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
N-ETHYL-P-TOLUENESULFONAMIDE,000080-39-7,6637,N-ethyl-4-methylbenzenesulfonamide,CCNS(=O)(=O)C1=CC=C(C=C1)C,"InChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3",OHPZPBNDOVQJMH-UHFFFAOYSA-N,C9H13NO2S,199.27,199.0666998,1.6,54.6,235,0,1,3,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-HYDROXYPHENYLPYRUVIC ACID,000156-39-8,979,3-(4-hydroxyphenyl)-2-oxopropanoic acid,C1=CC(=CC=C1CC(=O)C(=O)O)O,"InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)",KKADPXVIOXHVKN-UHFFFAOYSA-N,C9H8O4,180.16,180.0422587,0.9,74.6,204,0,2,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXY-6-METHOXYBENZALDEHYDE,000700-44-7,69692,2-hydroxy-6-methoxybenzaldehyde,COC1=CC=CC(=C1C=O)O,"InChI=1S/C8H8O3/c1-11-8-4-2-3-7(10)6(8)5-9/h2-5,10H,1H3",DZJPDDVDKXHRLF-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,1.6,46.5,135,0,1,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMOMANDELIC ACID,006940-50-7,97930,2-(4-bromophenyl)-2-hydroxyacetic acid,C1=CC(=CC=C1C(C(=O)O)O)Br,"InChI=1S/C8H7BrO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)",BHZBRPQOYFDTAB-UHFFFAOYSA-N,C8H7BrO3,231.04,229.95786,1.3,57.5,164,0,2,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-METHYL-3-(1,1,2,2-TETRAFLUOROETHOXY)BENZENE",001737-10-6,74438,"1-methyl-3-(1,1,2,2-tetrafluoroethoxy)benzene",CC1=CC(=CC=C1)OC(C(F)F)(F)F,"InChI=1S/C9H8F4O/c1-6-3-2-4-7(5-6)14-9(12,13)8(10)11/h2-5,8H,1H3",LZZXOCVBAKJDOO-UHFFFAOYSA-N,C9H8F4O,208.15,208.0511275,4.3,9.2,184,0,0,5,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GAMMA-BENZYL L-GLUTAMATE,001676-73-9,122337,(2S)-2-amino-5-oxo-5-phenylmethoxypentanoic acid,C1=CC=C(C=C1)COC(=O)CC[C@@H](C(=O)O)N,"InChI=1S/C12H15NO4/c13-10(12(15)16)6-7-11(14)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,15,16)/t10-/m0/s1",BGGHCRNCRWQABU-JTQLQIEISA-N,C12H15NO4,237.25,237.100108,-1.7,89.6,261,0,2,5,7,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZENEHEXACARBOXYLIC ACID,000517-60-2,2334,"benzene-1,2,3,4,5,6-hexacarboxylic acid",C1(=C(C(=C(C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O,"InChI=1S/C12H6O12/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18/h(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)",YDSWCNNOKPMOTP-UHFFFAOYSA-N,C12H6O12,342.17,341.9859256,-0.9,224,470,0,6,12,6,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-CHLORO-3-PHENYLPROPANE,000104-52-9,7706,3-chloropropylbenzene,C1=CC=C(C=C1)CCCCl,"InChI=1S/C9H11Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2",XZBXAYCCBFTQHH-UHFFFAOYSA-N,C9H11Cl,154.63,154.054928,3.5,0,74,0,0,0,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OLIVETOL,000500-66-3,10377,"5-pentylbenzene-1,3-diol",CCCCCC1=CC(=CC(=C1)O)O,"InChI=1S/C11H16O2/c1-2-3-4-5-9-6-10(12)8-11(13)7-9/h6-8,12-13H,2-5H2,1H3",IRMPFYJSHJGOPE-UHFFFAOYSA-N,C11H16O2,180.24,180.1150297,3.6,40.5,126,0,2,2,4,13,"greater than 230 °F (NTP, 1992)","327 °F at 5 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-N-DODECYL RESORCINOL,024305-56-4,90458,"4-dodecylbenzene-1,3-diol",CCCCCCCCCCCCC1=C(C=C(C=C1)O)O,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15-18(16)20/h13-15,19-20H,2-12H2,1H3",JJWVPHWHEGQZOE-UHFFFAOYSA-N,C18H30O2,278.4,278.2245802,6.7,40.5,217,0,2,2,11,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CHOLOROMETHYL PHENYL SULFONE,007205-98-3,81625,chloromethylsulfonylbenzene,C1=CC=C(C=C1)S(=O)(=O)CCl,"InChI=1S/C7H7ClO2S/c8-6-11(9,10)7-4-2-1-3-5-7/h1-5H,6H2",NXAIQSVCXQZNRY-UHFFFAOYSA-N,C7H7ClO2S,190.65,189.9855283,1.2,42.5,199,0,0,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMOSTYRENE,002039-82-9,16263,1-bromo-4-ethenylbenzene,C=CC1=CC=C(C=C1)Br,"InChI=1S/C8H7Br/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2",WGGLDBIZIQMEGH-UHFFFAOYSA-N,C8H7Br,183.04,181.97311,3.4,0,90,0,0,0,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(2-HYDROXYETHOXY) PHENOL,004792-78-3,78519,2-(2-hydroxyethoxy)phenol,C1=CC=C(C(=C1)O)OCCO,"InChI=1S/C8H10O3/c9-5-6-11-8-4-2-1-3-7(8)10/h1-4,9-10H,5-6H2",AMCOCUDBDKVWRZ-UHFFFAOYSA-N,C8H10O3,154.16,154.0629942,0.6,49.7,106,0,2,3,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3,4,5,6-PENTABROMOTOLUENE",000087-83-2,6906,"1,2,3,4,5-pentabromo-6-methylbenzene",CC1=C(C(=C(C(=C1Br)Br)Br)Br)Br,InChI=1S/C7H3Br5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3,OZHJEQVYCBTHJT-UHFFFAOYSA-N,C7H3Br5,486.62,485.61106,5.7,0,146,0,0,0,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(+)-SOTALOL HYDROCHLORIDE,000959-24-0,66245,N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide;hydrochloride,CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.Cl,"InChI=1S/C12H20N2O3S.ClH/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17;/h4-7,9,12-15H,8H2,1-3H3;1H",VIDRYROWYFWGSY-UHFFFAOYSA-N,C12H21ClN2O3S,308.83,308.0961414,,86.8,330,0,4,5,6,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-DIMETHOXYTOLUENE",004463-33-6,78215,"1,2-dimethoxy-3-methylbenzene",CC1=C(C(=CC=C1)OC)OC,"InChI=1S/C9H12O2/c1-7-5-4-6-8(10-2)9(7)11-3/h4-6H,1-3H3",WMXFNCKPYCAIQW-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,2.2,18.5,114,0,0,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-DIMETHOXYTOLUENE",000494-99-5,68126,"1,2-dimethoxy-4-methylbenzene",CC1=CC(=C(C=C1)OC)OC,"InChI=1S/C9H12O2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-6H,1-3H3",GYPMBQZAVBFUIZ-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,1.9,18.5,114,0,0,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-ETHYLRESORCINOL,002896-60-8,17927,"4-ethylbenzene-1,3-diol",CCC1=C(C=C(C=C1)O)O,"InChI=1S/C8H10O2/c1-2-6-3-4-7(9)5-8(6)10/h3-5,9-10H,2H2,1H3",VGMJYYDKPUPTID-UHFFFAOYSA-N,C8H10O2,138.16,138.0680796,1.3,40.5,103,0,2,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BROMOACETIC ACID BENZYL ESTER,005437-45-6,62576,benzyl 2-bromoacetate,C1=CC=C(C=C1)COC(=O)CBr,"InChI=1S/C9H9BrO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7H2",JHVLLYQQQYIWKX-UHFFFAOYSA-N,C9H9BrO2,229.07,227.97859,2.8,26.3,141,0,0,2,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-IODOANISOLE,000529-28-2,68257,1-iodo-2-methoxybenzene,COC1=CC=CC=C1I,"InChI=1S/C7H7IO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3",DVQWNQBEUKXONL-UHFFFAOYSA-N,C7H7IO,234.03,233.95416,2.8,9.2,85,0,0,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(-)-ISOPROTERENOL HYDROCHLORIDE,005984-95-2,656783,"4-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol;hydrochloride",CC(C)NC[C@@H](C1=CC(=C(C=C1)O)O)O.Cl,"InChI=1S/C11H17NO3.ClH/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;/h3-5,7,11-15H,6H2,1-2H3;1H/t11-;/m0./s1",IROWCYIEJAOFOW-MERQFXBCSA-N,C11H18ClNO3,247.72,247.0975211,,72.7,187,0,5,4,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-METHOXYTYRAMINE HCL,001477-68-5,11957621,4-(2-aminoethyl)-2-methoxyphenol;hydrochloride,COC1=C(C=CC(=C1)CCN)O.Cl,"InChI=1S/C9H13NO2.ClH/c1-12-9-6-7(4-5-10)2-3-8(9)11;/h2-3,6,11H,4-5,10H2,1H3;1H",AWRIOTVUTPLWLF-UHFFFAOYSA-N,C9H14ClNO2,203.66,203.0713064,,55.5,130,0,3,3,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
THYMOPENTIN,069558-55-0,451417,(3S)-3-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid,CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)N,"InChI=1S/C30H49N9O9/c1-16(2)24(28(46)38-22(29(47)48)14-17-8-10-18(40)11-9-17)39-27(45)21(15-23(41)42)37-26(44)20(7-3-4-12-31)36-25(43)19(32)6-5-13-35-30(33)34/h8-11,16,19-22,24,40H,3-7,12-15,31-32H2,1-2H3,(H,36,43)(H,37,44)(H,38,46)(H,39,45)(H,41,42)(H,47,48)(H4,33,34,35)/t19-,20-,21-,22-,24-/m0/s1",PSWFFKRAVBDQEG-YGQNSOCVSA-N,C30H49N9O9,679.8,679.3653242,-6.4,328,1110,0,11,12,22,48,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-PHENOXY-1-PROPANOL,006180-61-6,80319,3-phenoxypropan-1-ol,C1=CC=C(C=C1)OCCCO,"InChI=1S/C9H12O2/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2",AWVDYRFLCAZENH-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,2,29.5,87,0,1,2,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-PHENYLENEDIACETIC ACID",019806-17-8,29788,2-[3-(carboxymethyl)phenyl]acetic acid,C1=CC(=CC(=C1)CC(=O)O)CC(=O)O,"InChI=1S/C10H10O4/c11-9(12)5-7-2-1-3-8(4-7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)",GDYYIJNDPMFMTB-UHFFFAOYSA-N,C10H10O4,194.18,194.0579088,1,74.6,202,0,2,4,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIIODOBENZENE",000626-00-6,12270,"1,3-diiodobenzene",C1=CC(=CC(=C1)I)I,InChI=1S/C6H4I2/c7-5-2-1-3-6(8)4-5/h1-4H,SFPQFQUXAJOWNF-UHFFFAOYSA-N,C6H4I2,329.9,329.84025,3.2,0,64,0,0,0,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-PHENYLPYRUVIC ACID,000156-06-9,997,2-oxo-3-phenylpropanoic acid,C1=CC=C(C=C1)CC(=O)C(=O)O,"InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)",BTNMPGBKDVTSJY-UHFFFAOYSA-N,C9H8O3,164.16,164.0473441,1.3,54.4,180,0,1,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(R)-2-HYDROXY-3-BUTEN-1-YL P-TOSYLATE,138249-07-7,2735056,[(2R)-2-hydroxybut-3-enyl] 4-methylbenzenesulfonate,CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](C=C)O,"InChI=1S/C11H14O4S/c1-3-10(12)8-15-16(13,14)11-6-4-9(2)5-7-11/h3-7,10,12H,1,8H2,2H3/t10-/m1/s1",YQSCDBZHHLIPOI-SNVBAGLBSA-N,C11H14O4S,242.29,242.0612801,1.4,72,309,0,1,4,5,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-DIHYDROXYBENZALDEHYDE",024677-78-9,90579,"2,3-dihydroxybenzaldehyde",C1=CC(=C(C(=C1)O)O)C=O,"InChI=1S/C7H6O3/c8-4-5-2-1-3-6(9)7(5)10/h1-4,9-10H",IXWOUPGDGMCKGT-UHFFFAOYSA-N,C7H6O3,138.12,138.031694,1.5,57.5,124,0,2,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DI-TERT-BUTYLPHENOL",000128-39-2,31405,"2,6-ditert-butylphenol",CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O,"InChI=1S/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3",DKCPKDPYUFEZCP-UHFFFAOYSA-N,C14H22O,206.32,206.1670653,4.9,20.2,184,0,1,1,2,15,"greater than 200 °F (USCG, 1999)","487 °F at 760 mmHg (USCG, 1999)",1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
4-CHLORO-3-NITROBENZONITRILE,000939-80-0,13655,4-chloro-3-nitrobenzonitrile,C1=CC(=C(C=C1C#N)[N+](=O)[O-])Cl,InChI=1S/C7H3ClN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H,XBLPHYSLHRGMNW-UHFFFAOYSA-N,C7H3ClN2O2,182.56,181.988305,2,69.6,229,0,0,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3,5,6-TETRAMETHYL-P-PHENYLENEDIAMINE",003102-87-2,76548,"2,3,5,6-tetramethylbenzene-1,4-diamine",CC1=C(C(=C(C(=C1N)C)C)N)C,"InChI=1S/C10H16N2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h11-12H2,1-4H3",WCZNKVPCIFMXEQ-UHFFFAOYSA-N,C10H16N2,164.25,164.1313485,2,52,124,0,2,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-IODOSOBENZOIC ACID,000304-91-6,67537,2-iodosylbenzoic acid,C1=CC=C(C(=C1)C(=O)O)I=O,"InChI=1S/C7H5IO3/c9-7(10)5-3-1-2-4-6(5)8-11/h1-4H,(H,9,10)",IFPHDUVGLXEIOQ-UHFFFAOYSA-N,C7H5IO3,264.02,263.92834,2.2,54.4,169,0,1,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DINITROBENZALDEHYDE",000528-75-6,68250,"2,4-dinitrobenzaldehyde",C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C=O,InChI=1S/C7H4N2O5/c10-4-5-1-2-6(8(11)12)3-7(5)9(13)14/h1-4H,ZILXIZUBLXVYPI-UHFFFAOYSA-N,C7H4N2O5,196.12,196.0120212,1.6,109,256,0,0,5,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-ALLYLOXYBENZALDEHYDE,028752-82-1,101335,2-prop-2-enoxybenzaldehyde,C=CCOC1=CC=CC=C1C=O,"InChI=1S/C10H10O2/c1-2-7-12-10-6-4-3-5-9(10)8-11/h2-6,8H,1,7H2",BXCJDECTRRMSCV-UHFFFAOYSA-N,C10H10O2,162.18,162.0680796,2.3,26.3,154,0,0,2,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
1-PHENYLPENTADECANE,002131-18-2,16476,pentadecylbenzene,CCCCCCCCCCCCCCCC1=CC=CC=C1,"InChI=1S/C21H36/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21/h14,16-17,19-20H,2-13,15,18H2,1H3",JIRNEODMTPGRGV-UHFFFAOYSA-N,C21H36,288.5,288.2817011,10.4,0,190,0,0,0,14,21,,373 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-(4-HYDROXYPHENYL)-1-PROPANOL,010210-17-0,82452,4-(3-hydroxypropyl)phenol,C1=CC(=CC=C1CCCO)O,"InChI=1S/C9H12O2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,10-11H,1-2,7H2",NJCVPQRHRKYSAZ-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,1.3,40.5,95,0,2,2,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-DIHYDROXYBENZALDEHYDE",000139-85-5,8768,"3,4-dihydroxybenzaldehyde",C1=CC(=C(C=C1C=O)O)O,"InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H",IBGBGRVKPALMCQ-UHFFFAOYSA-N,C7H6O3,138.12,138.031694,1.3,57.5,124,0,2,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-TRIFLUOROMETHYLBENZALDEHYDE,000454-89-7,67990,3-(trifluoromethyl)benzaldehyde,C1=CC(=CC(=C1)C(F)(F)F)C=O,"InChI=1S/C8H5F3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-5H",NMTUHPSKJJYGML-UHFFFAOYSA-N,C8H5F3O,174.12,174.0292493,2.5,17.1,164,0,0,4,1,12,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CATECHOL-UL-14C,019481-10-8,11480435,"(1,2,3,4,5,6-14C6)cyclohexa-2,4,6-triene-1,2-diol",[14CH]1=[14CH][14CH]=[14C]([14C](=[14CH]1)O)O,"InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H/i1+2,2+2,3+2,4+2,5+2,6+2",YCIMNLLNPGFGHC-YROCTSJKSA-N,C6H6O2,122.066,122.0562314,0.9,40.5,62,0,2,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-FLUORO-3-(TRIFLUOROMETHYL)BENZALDEHYDE,112641-20-0,517978,2-fluoro-3-(trifluoromethyl)benzaldehyde,C1=CC(=C(C(=C1)C(F)(F)F)F)C=O,"InChI=1S/C8H4F4O/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-4H",XDMZVNQKVMTCSP-UHFFFAOYSA-N,C8H4F4O,192.11,192.0198274,2.4,17.1,189,0,0,5,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-(TRIFLUOROMETHOXY)BENZALDEHYDE,052771-21-8,605139,3-(trifluoromethoxy)benzaldehyde,C1=CC(=CC(=C1)OC(F)(F)F)C=O,"InChI=1S/C8H5F3O2/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-5H",FQEVHRCPXFKJHF-UHFFFAOYSA-N,C8H5F3O2,190.12,190.0241639,3,26.3,179,0,0,5,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-FLUORO-4-(TRIFLUOROMETHYL)BENZALDEHYDE,089763-93-9,522929,2-fluoro-4-(trifluoromethyl)benzaldehyde,C1=CC(=C(C=C1C(F)(F)F)F)C=O,"InChI=1S/C8H4F4O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-4H",KFEHNXLFIGPWNB-UHFFFAOYSA-N,C8H4F4O,192.11,192.0198274,2.4,17.1,189,0,0,5,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-FLUORO-5-METHOXYBENZALDEHYDE,105728-90-3,2734872,2-fluoro-5-methoxybenzaldehyde,COC1=CC(=C(C=C1)F)C=O,"InChI=1S/C8H7FO2/c1-11-7-2-3-8(9)6(4-7)5-10/h2-5H,1H3",DKIQXHIAEMGZGO-UHFFFAOYSA-N,C8H7FO2,154.14,154.0430076,1.5,26.3,138,0,0,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TRANS-3,5-DIMETHOXY-4-HYDROXYCINNAMALDEHYDE",004206-58-0,5280802,"(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal",COC1=CC(=CC(=C1O)OC)/C=C/C=O,"InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+",CDICDSOGTRCHMG-ONEGZZNKSA-N,C11H12O4,208.21,208.0735589,1.4,55.8,213,0,1,4,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMO-2-FLUOROBENZALDEHYDE,057848-46-1,143517,4-bromo-2-fluorobenzaldehyde,C1=CC(=C(C=C1Br)F)C=O,InChI=1S/C7H4BrFO/c8-6-2-1-5(4-10)7(9)3-6/h1-4H,UPCARQPLANFGQJ-UHFFFAOYSA-N,C7H4BrFO,203.01,201.94296,2.2,17.1,129,0,0,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-BROMO-2-FLUOROBENZALDEHYDE,093777-26-5,736327,5-bromo-2-fluorobenzaldehyde,C1=CC(=C(C=C1Br)C=O)F,InChI=1S/C7H4BrFO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H,MMFGGDVQLQQQRX-UHFFFAOYSA-N,C7H4BrFO,203.01,201.94296,2.2,17.1,129,0,0,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-CHLORO-3-FLUOROBENZALDEHYDE,005527-95-7,2724985,4-chloro-3-fluorobenzaldehyde,C1=CC(=C(C=C1C=O)F)Cl,InChI=1S/C7H4ClFO/c8-6-2-1-5(4-10)3-7(6)9/h1-4H,AZMDWRPTDCIFRD-UHFFFAOYSA-N,C7H4ClFO,158.56,157.9934706,2.1,17.1,129,0,0,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CHLORO-6-FLUOROBENZALDEHYDE,000387-45-1,67847,2-chloro-6-fluorobenzaldehyde,C1=CC(=C(C(=C1)Cl)C=O)F,InChI=1S/C7H4ClFO/c8-6-2-1-3-7(9)5(6)4-10/h1-4H,OACPOWYLLGHGCR-UHFFFAOYSA-N,C7H4ClFO,158.56,157.9934706,2.1,17.1,129,0,0,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAFLUOROPHTHALIC ACID,000652-03-9,69544,"3,4,5,6-tetrafluorophthalic acid",C1(=C(C(=C(C(=C1F)F)F)F)C(=O)O)C(=O)O,"InChI=1S/C8H2F4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16)",YJLVXRPNNDKMMO-UHFFFAOYSA-N,C8H2F4O4,238.09,237.9889212,1.4,74.6,280,0,2,8,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM BENZOATE,000582-25-2,23661960,potassium benzoate,C1=CC=C(C=C1)C(=O)[O-].[K+],"InChI=1S/C7H6O2.K/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1",XAEFZNCEHLXOMS-UHFFFAOYSA-M,C7H5KO2,160.21,159.9926609,,40.1,108,0,0,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-IODOPHENYLACETIC ACID,001798-06-7,137214,2-(4-iodophenyl)acetic acid,C1=CC(=CC=C1CC(=O)O)I,"InChI=1S/C8H7IO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)",FJSHTWVDFAUNCO-UHFFFAOYSA-N,C8H7IO2,262.04,261.94908,2.6,37.3,139,0,1,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXYACETOPHENONE,000582-24-1,68490,2-hydroxy-1-phenylethanone,C1=CC=C(C=C1)C(=O)CO,"InChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2",ZWVHTXAYIKBMEE-UHFFFAOYSA-N,C8H8O2,136.15,136.0524295,1.1,37.3,114,0,1,2,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(TERT-BUTOXYCARBONYL)-L-TYROSINE,003978-80-1,117439,(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid,CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O,"InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-11(12(17)18)8-9-4-6-10(16)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m0/s1",CNBUSIJNWNXLQQ-NSHDSACASA-N,C14H19NO5,281.3,281.1263227,1.5,95.9,342,0,3,5,6,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DIMETHOXYBENZOIC ACID",000091-52-1,7052,"2,4-dimethoxybenzoic acid",COC1=CC(=C(C=C1)C(=O)O)OC,"InChI=1S/C9H10O4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H,10,11)",GPVDHNVGGIAOQT-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,1.6,55.8,180,0,1,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-ISOPROPYLBENZOIC ACID,000536-66-3,10820,4-propan-2-ylbenzoic acid,CC(C)C1=CC=C(C=C1)C(=O)O,"InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)",CKMXAIVXVKGGFM-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,3.4,37.3,155,0,1,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-BENZENEDIMETHANETHIOL",000105-09-9,66043,[4-(sulfanylmethyl)phenyl]methanethiol,C1=CC(=CC=C1CS)CS,"InChI=1S/C8H10S2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2",IYPNRTQAOXLCQW-UHFFFAOYSA-N,C8H10S2,170.3,170.0223927,2.1,2,73,0,2,2,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMOVERATROLE,002859-78-1,76114,"4-bromo-1,2-dimethoxybenzene",COC1=C(C=C(C=C1)Br)OC,"InChI=1S/C8H9BrO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3",KBTMGSMZIKLAHN-UHFFFAOYSA-N,C8H9BrO2,217.06,215.97859,2.8,18.5,119,0,0,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DI(ETHYLENE GLYCOL) BENZYL ETHER,002050-25-1,229722,2-(2-phenylmethoxyethoxy)ethanol,C1=CC=C(C=C1)COCCOCCO,"InChI=1S/C11H16O3/c12-6-7-13-8-9-14-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2",LJVNVNLFZQFJHU-UHFFFAOYSA-N,C11H16O3,196.24,196.1099444,0.7,38.7,122,0,1,3,7,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-NITRO-5-THIOCYANOBENZOIC ACID,030211-77-9,92266,2-nitro-5-thiocyanatobenzoic acid,C1=CC(=C(C=C1SC#N)C(=O)O)[N+](=O)[O-],"InChI=1S/C8H4N2O4S/c9-4-15-5-1-2-7(10(13)14)6(3-5)8(11)12/h1-3H,(H,11,12)",NQUNIMFHIWQQGJ-UHFFFAOYSA-N,C8H4N2O4S,224.2,223.9891778,2.1,132,318,0,1,6,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-CHLOROBENZALDEHYDE,000587-04-2,11477,3-chlorobenzaldehyde,C1=CC(=CC(=C1)Cl)C=O,InChI=1S/C7H5ClO/c8-7-3-1-2-6(4-7)5-9/h1-5H,SRWILAKSARHZPR-UHFFFAOYSA-N,C7H5ClO,140.56,140.0028925,2.4,17.1,103,0,0,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
O-TRIFLUOROMETHYLACETOPHENONE,017408-14-9,87095,1-[2-(trifluoromethyl)phenyl]ethanone,CC(=O)C1=CC=CC=C1C(F)(F)F,"InChI=1S/C9H7F3O/c1-6(13)7-4-2-3-5-8(7)9(10,11)12/h2-5H,1H3",FYDUUODXZQITBF-UHFFFAOYSA-N,C9H7F3O,188.15,188.0448993,2.5,17.1,198,0,0,4,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BROMO-2-ETHYLBENZENE,001973-22-4,16089,1-bromo-2-ethylbenzene,CCC1=CC=CC=C1Br,"InChI=1S/C8H9Br/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3",HVRUGFJYCAFAAN-UHFFFAOYSA-N,C8H9Br,185.06,183.98876,3.5,0,80,0,0,0,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-CHLORO-3-ETHYLPHENOL,014143-32-9,84223,4-chloro-3-ethylphenol,CCC1=C(C=CC(=C1)O)Cl,"InChI=1S/C8H9ClO/c1-2-6-5-7(10)3-4-8(6)9/h3-5,10H,2H2,1H3",DVKVZPIRWWREJC-UHFFFAOYSA-N,C8H9ClO,156.61,156.0341926,3.5,20.2,105,0,1,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,6-TRIMETHOXYBENZALDEHYDE",000830-79-5,70019,"2,4,6-trimethoxybenzaldehyde",COC1=CC(=C(C(=C1)OC)C=O)OC,"InChI=1S/C10H12O4/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-6H,1-3H3",CRBZVDLXAIFERF-UHFFFAOYSA-N,C10H12O4,196.2,196.0735589,1.3,44.8,169,0,0,4,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(1-BROMOETHYL)BENZENE,000585-71-7,11454,1-bromoethylbenzene,CC(C1=CC=CC=C1)Br,"InChI=1S/C8H9Br/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3",CRRUGYDDEMGVDY-UHFFFAOYSA-N,C8H9Br,185.06,183.98876,2.9,0,74,0,0,0,1,9,96 °C,94 °C at 16 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-FLUORO-2-NITROANISOLE,000445-83-0,565656,4-fluoro-1-methoxy-2-nitrobenzene,COC1=C(C=C(C=C1)F)[N+](=O)[O-],"InChI=1S/C7H6FNO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3",FWLPYISRFBKEKV-UHFFFAOYSA-N,C7H6FNO3,171.13,171.0331712,1.9,55.1,171,0,0,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-ACETYLBENZOIC ACID,000577-56-0,68474,2-acetylbenzoic acid,CC(=O)C1=CC=CC=C1C(=O)O,"InChI=1S/C9H8O3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3,(H,11,12)",QDAWXRKTSATEOP-UHFFFAOYSA-N,C9H8O3,164.16,164.0473441,0.8,54.4,198,0,1,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-((PHENYLMETHOXY)CARBONYL)-L-LEUCYL-N-((1S)-1-FORMYL-3-METHYLBUTYL)-L-LEUCINAMIDE,133407-82-6,462382,benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate,CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1,"InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1",TZYWCYJVHRLUCT-VABKMULXSA-N,C26H41N3O5,475.6,475.3046214,4.8,114,644,0,3,5,15,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-AMINOPHENYLBORONIC ACID HYDROCHLORIDE,085006-23-1,44150055,3-oxoboranyloxyaniline;hydrochloride,B(=O)OC1=CC=CC(=C1)N.Cl,"InChI=1S/C6H6BNO2.ClH/c8-5-2-1-3-6(4-5)10-7-9;/h1-4H,8H2;1H",RGMQUFAINSNXHS-UHFFFAOYSA-N,C6H7BClNO2,171.39,171.0258363,,52.3,120,0,2,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-HYDROXYBENZOIC ACID MONOSODIUM SALT,000114-63-6,16219477,sodium 4-hydroxybenzoate,C1=CC(=CC=C1C(=O)[O-])O.[Na+],"InChI=1S/C7H6O3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1",ZLVSYODPTJZFMK-UHFFFAOYSA-M,C7H5NaO3,160.1,160.0136383,,60.4,130,0,1,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-IODO-4,5-DIMETHOXYBENZALDEHYDE",032024-15-0,2778113,"3-iodo-4,5-dimethoxybenzaldehyde",COC1=C(C(=CC(=C1)C=O)I)OC,"InChI=1S/C9H9IO3/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-5H,1-2H3",MVPNBXPAUYYZAF-UHFFFAOYSA-N,C9H9IO3,292.07,291.95964,2,35.5,174,0,0,3,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-ETHYLBENZOIC ACID,000619-64-7,12086,4-ethylbenzoic acid,CCC1=CC=C(C=C1)C(=O)O,"InChI=1S/C9H10O2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H,10,11)",ZQVKTHRQIXSMGY-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,2.9,37.3,134,0,1,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-(4-METHOXYPHENYL)PROPIONIC ACID,001929-29-9,95750,3-(4-methoxyphenyl)propanoic acid,COC1=CC=C(C=C1)CCC(=O)O,"InChI=1S/C10H12O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12)",FIUFLISGGHNPSM-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,1.9,46.5,160,0,1,3,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-CARBOXYBENZALDEHYDE,000619-66-9,12088,4-formylbenzoic acid,C1=CC(=CC=C1C=O)C(=O)O,"InChI=1S/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,(H,10,11)",GOUHYARYYWKXHS-UHFFFAOYSA-N,C8H6O3,150.13,150.031694,1.8,54.4,157,0,1,3,2,11,,SUBLIMES BEFORE REACHING BOILING POINT,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL 4-(HYDROXYMETHYL)BENZOATE,006908-41-4,81325,methyl 4-(hydroxymethyl)benzoate,COC(=O)C1=CC=C(C=C1)CO,"InChI=1S/C9H10O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5,10H,6H2,1H3",VBWFYEFYHJRJER-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.4,46.5,148,0,1,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-DICYANOBENZENE",000623-26-7,12172,"benzene-1,4-dicarbonitrile",C1=CC(=CC=C1C#N)C#N,InChI=1S/C8H4N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,BHXFKXOIODIUJO-UHFFFAOYSA-N,C8H4N2,128.13,128.0374481,0.9,47.6,170,0,0,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZYLTRIETHYLAMMONIUM BROMIDE,005197-95-5,165294,benzyl(triethyl)azanium bromide,CC[N+](CC)(CC)CC1=CC=CC=C1.[Br-],"InChI=1S/C13H22N.BrH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1",CHQVQXZFZHACQQ-UHFFFAOYSA-M,C13H22BrN,272.22,271.09356,,0,135,0,0,1,5,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXYBENZYL ALCOHOL,000090-01-7,5146,2-(hydroxymethyl)phenol,C1=CC=C(C(=C1)CO)O,"InChI=1S/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h1-4,8-9H,5H2",CQRYARSYNCAZFO-UHFFFAOYSA-N,C7H8O2,124.14,124.0524295,0.7,40.5,83,0,2,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHYLCINNAMIC ACID,001866-39-3,731767,(E)-3-(4-methylphenyl)prop-2-enoic acid,CC1=CC=C(C=C1)/C=C/C(=O)O,"InChI=1S/C10H10O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+",RURHILYUWQEGOS-VOTSOKGWSA-N,C10H10O2,162.18,162.0680796,2.5,37.3,176,0,1,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-NITROPHENYLACETIC ACID,000104-03-0,4661,2-(4-nitrophenyl)acetic acid,C1=CC(=CC=C1CC(=O)O)[N+](=O)[O-],"InChI=1S/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)",YBADLXQNJCMBKR-UHFFFAOYSA-N,C8H7NO4,181.15,181.0375077,1.4,83.1,203,0,1,4,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ACETOVANILLONE,000498-02-2,2214,1-(4-hydroxy-3-methoxyphenyl)ethanone,CC(=O)C1=CC(=C(C=C1)O)OC,"InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3",DFYRUELUNQRZTB-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,0.5,46.5,167,0,1,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-PHENYLBUTYRIC ACID,004593-90-2,20724,3-phenylbutanoic acid,CC(CC(=O)O)C1=CC=CC=C1,"InChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)",ZZEWMYILWXCRHZ-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,2.2,37.3,148,0,1,2,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZENEPENTACARBOXYLIC ACID,001585-40-6,15314,"benzene-1,2,3,4,5-pentacarboxylic acid",C1=C(C(=C(C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O,"InChI=1S/C11H6O10/c12-7(13)2-1-3(8(14)15)5(10(18)19)6(11(20)21)4(2)9(16)17/h1H,(H,12,13)(H,14,15)(H,16,17)(H,18,19)(H,20,21)",QNSOHXTZPUMONC-UHFFFAOYSA-N,C11H6O10,298.16,297.9960964,-0.4,187,471,0,5,10,5,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
3'-BROMOACETOPHENONE,002142-63-4,16502,1-(3-bromophenyl)ethanone,CC(=O)C1=CC(=CC=C1)Br,"InChI=1S/C8H7BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3",JYAQYXOVOHJRCS-UHFFFAOYSA-N,C8H7BrO,199.04,197.96803,2.6,17.1,133,0,0,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-TETRADECYLANILINE,091323-12-5,145224,4-tetradecylaniline,CCCCCCCCCCCCCCC1=CC=C(C=C1)N,"InChI=1S/C20H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20(21)18-16-19/h15-18H,2-14,21H2,1H3",WKYFQPQIOXXPGE-UHFFFAOYSA-N,C20H35N,289.5,289.2769501,8.3,26,206,0,1,1,13,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-IODOTOLUENE,000625-95-6,12268,1-iodo-3-methylbenzene,CC1=CC(=CC=C1)I,"InChI=1S/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H3",VLCPISYURGTGLP-UHFFFAOYSA-N,C7H7I,218.03,217.95925,3.5,0,70,0,0,0,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-BENZYL-N-METHYLETHANOLAMINE,000101-98-4,66876,2-[benzyl(methyl)amino]ethanol,CN(CCO)CC1=CC=CC=C1,"InChI=1S/C10H15NO/c1-11(7-8-12)9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3",WOUANPHGFPAJCA-UHFFFAOYSA-N,C10H15NO,165.23,165.1153641,1.3,23.5,110,0,1,2,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIETHOXY-P-TOLYLSILANE,018412-57-2,4670738,triethoxy-(4-methylphenyl)silane,CCO[Si](C1=CC=C(C=C1)C)(OCC)OCC,"InChI=1S/C13H22O3Si/c1-5-14-17(15-6-2,16-7-3)13-10-8-12(4)9-11-13/h8-11H,5-7H2,1-4H3",PADYPAQRESYCQZ-UHFFFAOYSA-N,C13H22O3Si,254.4,254.1338211,,27.7,186,0,0,3,7,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
(PENTAFLUOROPHENYL)TRIETHOXYSILANE,020083-34-5,2782625,"triethoxy-(2,3,4,5,6-pentafluorophenyl)silane",CCO[Si](C1=C(C(=C(C(=C1F)F)F)F)F)(OCC)OCC,"InChI=1S/C12H15F5O3Si/c1-4-18-21(19-5-2,20-6-3)12-10(16)8(14)7(13)9(15)11(12)17/h4-6H2,1-3H3",QALDFNLNVLQDSP-UHFFFAOYSA-N,C12H15F5O3Si,330.32,330.0710617,,27.7,292,0,0,8,7,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-HYDROXYMETHYLBENZOIC ACID,003006-96-0,76360,4-(hydroxymethyl)benzoic acid,C1=CC(=CC=C1CO)C(=O)O,"InChI=1S/C8H8O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2,(H,10,11)",WWYFPDXEIFBNKE-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,0.9,57.5,136,0,2,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-METHOXYSALICYLIC ACID,000877-22-5,70140,2-hydroxy-3-methoxybenzoic acid,COC1=CC=CC(=C1O)C(=O)O,"InChI=1S/C8H8O4/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,9H,1H3,(H,10,11)",AUZQQIPZESHNMG-UHFFFAOYSA-N,C8H8O4,168.15,168.0422587,1.9,66.8,168,0,2,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHOXYSALICYLIC ACID,002237-36-7,75231,2-hydroxy-4-methoxybenzoic acid,COC1=CC(=C(C=C1)C(=O)O)O,"InChI=1S/C8H8O4/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)",MRIXVKKOHPQOFK-UHFFFAOYSA-N,C8H8O4,168.15,168.0422587,2,66.8,168,0,2,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-CYANOBENZOIC ACID,001877-72-1,15875,3-cyanobenzoic acid,C1=CC(=CC(=C1)C(=O)O)C#N,"InChI=1S/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11)",GYLKKXHEIIFTJH-UHFFFAOYSA-N,C8H5NO2,147.13,147.0320284,1.5,61.1,203,0,1,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BROMO-4-IODOBENZENE,000589-87-7,11522,1-bromo-4-iodobenzene,C1=CC(=CC=C1Br)I,InChI=1S/C6H4BrI/c7-5-1-3-6(8)4-2-5/h1-4H,UCCUXODGPMAHRL-UHFFFAOYSA-N,C6H4BrI,282.9,281.85411,4,0,66,0,0,0,0,8,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINO-4'-METHOXYACETOPHENONE HYDRO- CHLORIDE,003883-94-1,12487188,2-amino-1-(4-methoxyphenyl)ethanone;hydrochloride,COC1=CC=C(C=C1)C(=O)CN.Cl,"InChI=1S/C9H11NO2.ClH/c1-12-8-4-2-7(3-5-8)9(11)6-10;/h2-5H,6,10H2,1H3;1H",FZVYWBMMOSHMRS-UHFFFAOYSA-N,C9H12ClNO2,201.65,201.0556563,,52.3,151,0,2,3,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DICHLORO-3,5-DINITROBENZOIC ACID",052729-03-0,96497,"2,4-dichloro-3,5-dinitrobenzoic acid",C1=C(C(=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])Cl)C(=O)O,"InChI=1S/C7H2Cl2N2O6/c8-4-2(7(12)13)1-3(10(14)15)5(9)6(4)11(16)17/h1H,(H,12,13)",OCJYCLPVZHBZRL-UHFFFAOYSA-N,C7H2Cl2N2O6,281,279.9289912,2.4,129,353,0,1,6,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-ETHYNYLANILINE,014235-81-5,3760025,4-ethynylaniline,C#CC1=CC=C(C=C1)N,"InChI=1S/C8H7N/c1-2-7-3-5-8(9)6-4-7/h1,3-6H,9H2",JXYITCJMBRETQX-UHFFFAOYSA-N,C8H7N,117.15,117.0578492,1.3,26,123,0,1,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-DIHYDROXYHYDROCINNAMIC ACID",001078-61-1,348154,"3-(3,4-dihydroxyphenyl)propanoic acid",C1=CC(=C(C=C1CCC(=O)O)O)O,"InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)",DZAUWHJDUNRCTF-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,-0.5,77.8,180,0,3,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DIHYDROXYBENZYL ALCOHOL",029654-55-5,34661,"5-(hydroxymethyl)benzene-1,3-diol",C1=C(C=C(C=C1O)O)CO,"InChI=1S/C7H8O3/c8-4-5-1-6(9)3-7(10)2-5/h1-3,8-10H,4H2",NGYYFWGABVVEPL-UHFFFAOYSA-N,C7H8O3,140.14,140.0473441,0.3,60.7,95,0,3,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-HYDROXY-3-METHOXYBENZYLAMINE,007149-10-2,165576,4-(aminomethyl)-2-methoxyphenol;hydrochloride,COC1=C(C=CC(=C1)CN)O.Cl,"InChI=1S/C8H11NO2.ClH/c1-11-8-4-6(5-9)2-3-7(8)10;/h2-4,10H,5,9H2,1H3;1H",PUDMGOSXPCMUJZ-UHFFFAOYSA-N,C8H12ClNO2,189.64,189.0556563,,55.5,119,0,3,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-ASPARTIC ACID 4-BENZYL ESTER,002177-63-1,101186,(2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid,C1=CC=C(C=C1)COC(=O)C[C@@H](C(=O)O)N,"InChI=1S/C11H13NO4/c12-9(11(14)15)6-10(13)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,14,15)/t9-/m0/s1",VGALFAWDSNRXJK-VIFPVBQESA-N,C11H13NO4,223.22,223.0844579,-2,89.6,248,0,2,5,6,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-SEC-BUTYLANILINE,030273-11-1,121771,4-butan-2-ylaniline,CCC(C)C1=CC=C(C=C1)N,"InChI=1S/C10H15N/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8H,3,11H2,1-2H3",NVVVQTNTLIAISI-UHFFFAOYSA-N,C10H15N,149.23,149.1204495,2.8,26,103,0,1,1,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DL-M-TYROSINE,000775-06-4,13052,2-amino-3-(3-hydroxyphenyl)propanoic acid,C1=CC(=CC(=C1)O)CC(C(=O)O)N,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)",JZKXXXDKRQWDET-UHFFFAOYSA-N,C9H11NO3,181.19,181.0738932,-2.4,83.6,184,0,3,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DL-O-TYROSINE,002370-61-8,91482,2-amino-3-(2-hydroxyphenyl)propanoic acid,C1=CC=C(C(=C1)CC(C(=O)O)N)O,"InChI=1S/C9H11NO3/c10-7(9(12)13)5-6-3-1-2-4-8(6)11/h1-4,7,11H,5,10H2,(H,12,13)",WRFPVMFCRNYQNR-UHFFFAOYSA-N,C9H11NO3,181.19,181.0738932,-1.8,83.6,184,0,3,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PENTAFLUOROPHENYLHYDRAZINE,000828-73-9,13236,"(2,3,4,5,6-pentafluorophenyl)hydrazine",C1(=C(C(=C(C(=C1F)F)F)F)F)NN,"InChI=1S/C6H3F5N2/c7-1-2(8)4(10)6(13-12)5(11)3(1)9/h13H,12H2",BYCUWCJUPSUFBX-UHFFFAOYSA-N,C6H3F5N2,198.09,198.0216389,1.7,38.1,164,0,2,7,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-DIMETHOXYBENZOIC ACID",001521-38-6,15204,"2,3-dimethoxybenzoic acid",COC1=CC=CC(=C1OC)C(=O)O,"InChI=1S/C9H10O4/c1-12-7-5-3-4-6(9(10)11)8(7)13-2/h3-5H,1-2H3,(H,10,11)",FODBVCSYJKNBLO-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,1.7,55.8,180,0,1,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3,4-TRIHYDROXYBENZOIC ACID",000610-02-6,11874,"2,3,4-trihydroxybenzoic acid",C1=CC(=C(C(=C1C(=O)O)O)O)O,"InChI=1S/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12)",BRRSNXCXLSVPFC-UHFFFAOYSA-N,C7H6O5,170.12,170.0215233,1.1,98,181,0,4,5,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-AMINOBENZENEBORONIC ACID MONOHYDRATE,206658-89-1,14389423,(3-aminophenyl)boronic acid;hydrate,B(C1=CC(=CC=C1)N)(O)O.O,"InChI=1S/C6H8BNO2.H2O/c8-6-3-1-2-5(4-6)7(9)10;/h1-4,9-10H,8H2;1H2",XAEOVQODHLLNKX-UHFFFAOYSA-N,C6H10BNO3,154.96,155.0753733,,67.5,110,0,4,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BOC-PHE(4-NHFMOC)-OH,055533-24-9,2761482,(2S)-3-(4-aminophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid,CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)N)C(=O)O,"InChI=1S/C14H20N2O4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8,15H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1",NDMVQEZKACRLDP-NSHDSACASA-N,C14H20N2O4,280.32,280.1423071,1.1,102,344,0,3,5,6,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHOXYCINNAMIC ACID,000943-89-5,699414,(E)-3-(4-methoxyphenyl)prop-2-enoic acid,COC1=CC=C(C=C1)/C=C/C(=O)O,"InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+",AFDXODALSZRGIH-QPJJXVBHSA-N,C10H10O3,178.18,178.0629942,1.8,46.5,190,0,1,3,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHYL P-AMINOBENZYLPHOSPHONATE,020074-79-7,88358,4-(diethoxyphosphorylmethyl)aniline,CCOP(=O)(CC1=CC=C(C=C1)N)OCC,"InChI=1S/C11H18NO3P/c1-3-14-16(13,15-4-2)9-10-5-7-11(12)8-6-10/h5-8H,3-4,9,12H2,1-2H3",ZVAYUUUQOCPZCZ-UHFFFAOYSA-N,C11H18NO3P,243.24,243.1024304,1,61.6,229,0,1,4,6,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-NITROBENZYLAMINE HYDROCHLORIDE,018600-42-5,11252467,(4-nitrophenyl)methanamine;hydrochloride,C1=CC(=CC=C1CN)[N+](=O)[O-].Cl,"InChI=1S/C7H8N2O2.ClH/c8-5-6-1-3-7(4-2-6)9(10)11;/h1-4H,5,8H2;1H",SMIXZZMSWYOQPW-UHFFFAOYSA-N,C7H9ClN2O2,188.61,188.0352552,,71.8,136,0,2,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINO-M-CRESOL,002835-97-4,3014138,2-amino-3-methylphenol,CC1=C(C(=CC=C1)O)N,"InChI=1S/C7H9NO/c1-5-3-2-4-6(9)7(5)8/h2-4,9H,8H2,1H3",FEDLEBCVFZMHBP-UHFFFAOYSA-N,C7H9NO,123.15,123.0684139,1.3,46.3,94,0,2,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
S-(THIOBENSOYL)THIOGLYCOLIC ACID,000942-91-6,70336,2-(benzenecarbonothioylsulfanyl)acetic acid,C1=CC=C(C=C1)C(=S)SCC(=O)O,"InChI=1S/C9H8O2S2/c10-8(11)6-13-9(12)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)",XBEIANFIOZTEDE-UHFFFAOYSA-N,C9H8O2S2,212.3,211.9965718,2.5,94.7,198,0,1,4,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-AMINO-O-CRESOL,053222-92-7,104448,3-amino-2-methylphenol,CC1=C(C=CC=C1O)N,"InChI=1S/C7H9NO/c1-5-6(8)3-2-4-7(5)9/h2-4,9H,8H2,1H3",FLROJJGKUKLCAE-UHFFFAOYSA-N,C7H9NO,123.15,123.0684139,1.3,46.3,94,0,2,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRANS-2-METHOXYCINNAMIC ACID,006099-03-2,734154,(E)-3-(2-methoxyphenyl)prop-2-enoic acid,COC1=CC=CC=C1/C=C/C(=O)O,"InChI=1S/C10H10O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+",FEGVSPGUHMGGBO-VOTSOKGWSA-N,C10H10O3,178.18,178.0629942,1.8,46.5,198,0,1,3,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(S)-(-)-A-METHOXY-A-(TRIFLUOROMETHYL)PHENYLACETIC ACID,017257-71-5,6992788,"(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid",CO[C@@](C1=CC=CC=C1)(C(=O)O)C(F)(F)F,"InChI=1S/C10H9F3O3/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15)/t9-/m0/s1",JJYKJUXBWFATTE-VIFPVBQESA-N,C10H9F3O3,234.17,234.0503786,2.3,46.5,259,0,1,6,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL 2-IODOBENZOATE,000610-97-9,69132,methyl 2-iodobenzoate,COC(=O)C1=CC=CC=C1I,"InChI=1S/C8H7IO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3",BXXLTVBTDZXPTN-UHFFFAOYSA-N,C8H7IO2,262.04,261.94908,2.7,26.3,147,0,0,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,6-DICHLORORESORCINOL",000137-19-9,67299,"4,6-dichlorobenzene-1,3-diol",C1=C(C(=CC(=C1O)Cl)Cl)O,"InChI=1S/C6H4Cl2O2/c7-3-1-4(8)6(10)2-5(3)9/h1-2,9-10H",GRLQBYQELUWBIO-UHFFFAOYSA-N,C6H4Cl2O2,179,177.9588348,2.7,40.5,108,0,2,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(HYDROXYMETHYL)PHENYLBORONIC ACID,059016-93-2,2734706,[4-(hydroxymethyl)phenyl]boronic acid,B(C1=CC=C(C=C1)CO)(O)O,"InChI=1S/C7H9BO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9-11H,5H2",PZRPBPMLSSNFOM-UHFFFAOYSA-N,C7H9BO3,151.96,152.0644743,,60.7,110,0,3,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-(HYDROXYMETHYL) PHENYLBORONIC ACID,087199-15-3,2734662,[3-(hydroxymethyl)phenyl]boronic acid,B(C1=CC(=CC=C1)CO)(O)O,"InChI=1S/C7H9BO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9-11H,5H2",HGTDLKXUWVKLQX-UHFFFAOYSA-N,C7H9BO3,151.96,152.0644743,,60.7,118,0,3,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-DIBROMOBENZENE-D4",004165-56-4,2733419,"1,4-dibromo-2,3,5,6-tetradeuteriobenzene",[2H]C1=C(C(=C(C(=C1Br)[2H])[2H])Br)[2H],"InChI=1S/C6H4Br2/c7-5-1-2-6(8)4-3-5/h1-4H/i1D,2D,3D,4D",SWJPEBQEEAHIGZ-RHQRLBAQSA-N,C6H4Br2,239.93,239.89103,3.8,0,54,0,0,0,0,8,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-IODO-3,5-DIMETHYLBENZENE",022445-41-6,140924,"1-iodo-3,5-dimethylbenzene",CC1=CC(=CC(=C1)I)C,"InChI=1S/C8H9I/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3",ZLMKEENUYIUKKC-UHFFFAOYSA-N,C8H9I,232.06,231.9749,3.7,0,80,0,0,0,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PENTAFLUOROBENZALDEHYDE,000653-37-2,69558,"2,3,4,5,6-pentafluorobenzaldehyde",C(=O)C1=C(C(=C(C(=C1F)F)F)F)F,InChI=1S/C7HF5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1H,QJXCFMJTJYCLFG-UHFFFAOYSA-N,C7HF5O,196.07,195.9947555,1.9,17.1,183,0,0,6,1,13,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TYRAMINE HYDROCHLORIDE,000060-19-5,66449,4-(2-aminoethyl)phenol;hydrochloride,C1=CC(=CC=C1CCN)O.Cl,"InChI=1S/C8H11NO.ClH/c9-6-5-7-1-3-8(10)4-2-7;/h1-4,10H,5-6,9H2;1H",RNISDHSYKZAWOK-UHFFFAOYSA-N,C8H12ClNO,173.64,173.0607417,,46.3,87,0,3,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIMETHYLOL-P-CRESOL",000091-04-3,7039,"2,6-bis(hydroxymethyl)-4-methylphenol",CC1=CC(=C(C(=C1)CO)O)CO,"InChI=1S/C9H12O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-3,10-12H,4-5H2,1H3",KUMMBDBTERQYCG-UHFFFAOYSA-N,C9H12O3,168.19,168.0786442,0.7,60.7,124,0,3,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OCTYL BENZOATE,000094-50-8,66751,octyl benzoate,CCCCCCCCOC(=O)C1=CC=CC=C1,"InChI=1S/C15H22O2/c1-2-3-4-5-6-10-13-17-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3",VECVSKFWRQYTAL-UHFFFAOYSA-N,C15H22O2,234.33,234.1619799,5.7,26.3,195,0,0,2,9,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
3-AMINO-4-CHLOROBENZENESULFONIC ACID,000098-36-2,66817,3-amino-4-chlorobenzenesulfonic acid,C1=CC(=C(C=C1S(=O)(=O)O)N)Cl,"InChI=1S/C6H6ClNO3S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,8H2,(H,9,10,11)",XJQRCFRVWZHIPN-UHFFFAOYSA-N,C6H6ClNO3S,207.64,206.9756919,1,88.8,248,0,2,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETAMIDE, N-(4-NITROPHENYL)-",000104-04-1,7691,N-(4-nitrophenyl)acetamide,CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C8H8N2O3/c1-6(11)9-7-2-4-8(5-3-7)10(12)13/h2-5H,1H3,(H,9,11)",NQRLPDFELNCFHW-UHFFFAOYSA-N,C8H8N2O3,180.16,180.0534921,1.7,74.9,204,0,1,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BROMO-3-CHLOROBENZENE,000108-37-2,7928,1-bromo-3-chlorobenzene,C1=CC(=CC(=C1)Br)Cl,InChI=1S/C6H4BrCl/c7-5-2-1-3-6(8)4-5/h1-4H,JRGGUPZKKTVKOV-UHFFFAOYSA-N,C6H4BrCl,191.45,189.91849,3.7,0,74,0,0,0,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-ETHYLHEXYL SALICYLATE,000118-60-5,8364,2-ethylhexyl 2-hydroxybenzoate,CCCCC(CC)COC(=O)C1=CC=CC=C1O,"InChI=1S/C15H22O3/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3",FMRHJJZUHUTGKE-UHFFFAOYSA-N,C15H22O3,250.33,250.1568946,5.7,46.5,240,0,1,3,8,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
1-IODO-4-(TRIFLUOROMETHYL)BENZENE,000455-13-0,67993,1-iodo-4-(trifluoromethyl)benzene,C1=CC(=CC=C1C(F)(F)F)I,"InChI=1S/C7H4F3I/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H",SKGRFPGOGCHDPC-UHFFFAOYSA-N,C7H4F3I,272.01,271.93098,3.6,0,124,0,0,3,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRABROMOCATECHOL,000488-47-1,61127,"3,4,5,6-tetrabromobenzene-1,2-diol",C1(=C(C(=C(C(=C1Br)Br)Br)Br)O)O,InChI=1S/C6H2Br4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H,OAUWOBSDSJNJQP-UHFFFAOYSA-N,C6H2Br4O2,425.69,425.67473,4,40.5,150,0,2,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2',5'-DIHYDROXYACETOPHENONE",000490-78-8,10279,"1-(2,5-dihydroxyphenyl)ethanone",CC(=O)C1=C(C=CC(=C1)O)O,"InChI=1S/C8H8O3/c1-5(9)7-4-6(10)2-3-8(7)11/h2-4,10-11H,1H3",WLDWSGZHNBANIO-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,1.7,57.5,155,0,2,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-HYDROXYBENZAMIDE,000495-18-1,10313,N-hydroxybenzamide,C1=CC=C(C=C1)C(=O)NO,"InChI=1S/C7H7NO2/c9-7(8-10)6-4-2-1-3-5-6/h1-5,10H,(H,8,9)",VDEUYMSGMPQMIK-UHFFFAOYSA-N,C7H7NO2,137.14,137.0476785,0.3,49.3,119,0,2,2,1,10,,"Explodes (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"(2-CHLORO-1,1-DIMETHYLETHYL)BENZENE",000515-40-2,68191,(1-chloro-2-methylpropan-2-yl)benzene,CC(C)(CCl)C1=CC=CC=C1,"InChI=1S/C10H13Cl/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3",DNXXUUPUQXSUFH-UHFFFAOYSA-N,C10H13Cl,168.66,168.0705781,4.2,0,112,0,0,0,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-DINITROBENZOIC ACID",000528-45-0,10709,"3,4-dinitrobenzoic acid",C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C7H4N2O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)",OMVRRHJJQILIJX-UHFFFAOYSA-N,C7H4N2O6,212.12,212.0069359,1.1,129,293,0,1,6,1,15,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
2-BROMO-P-XYLENE,000553-94-6,11121,"2-bromo-1,4-dimethylbenzene",CC1=CC(=C(C=C1)C)Br,"InChI=1S/C8H9Br/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3",QXISTPDUYKNPLU-UHFFFAOYSA-N,C8H9Br,185.06,183.98876,3.4,0,90,0,0,0,0,9,,210-220 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-AMINOBENZOIC ACID MONOSODIUM SALT,000555-06-6,517441,sodium 4-aminobenzoate,C1=CC(=CC=C1C(=O)[O-])N.[Na+],"InChI=1S/C7H7NO2.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,8H2,(H,9,10);/q;+1/p-1",XETSAYZRDCRPJY-UHFFFAOYSA-M,C7H6NNaO2,159.12,159.0296227,,66.2,132,0,1,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
M-NITROCINNAMIC ACID,000555-68-0,687126,(E)-3-(3-nitrophenyl)prop-2-enoic acid,C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)O,"InChI=1S/C9H7NO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-6H,(H,11,12)/b5-4+",WWXMVRYHLZMQIG-SNAWJCMRSA-N,C9H7NO4,193.16,193.0375077,1.5,83.1,256,0,1,4,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BROMO-2-IODOBENZENE,000583-55-1,11415,1-bromo-2-iodobenzene,C1=CC=C(C(=C1)Br)I,InChI=1S/C6H4BrI/c7-5-3-1-2-4-6(5)8/h1-4H,OIRHKGBNGGSCGS-UHFFFAOYSA-N,C6H4BrI,282.9,281.85411,3.7,0,74,0,0,0,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BROMO-4-ETHOXY-BENZENE,000588-96-5,68523,1-bromo-4-ethoxybenzene,CCOC1=CC=C(C=C1)Br,"InChI=1S/C8H9BrO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3",WVUYYXUATWMVIT-UHFFFAOYSA-N,C8H9BrO,201.06,199.98368,2.9,9.2,87,0,0,1,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DIAMINOBENZOIC ACID",000610-74-2,69126,"2,5-diaminobenzoic acid",C1=CC(=C(C=C1N)C(=O)O)N,"InChI=1S/C7H8N2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,8-9H2,(H,10,11)",UONVFNLDGRWLKF-UHFFFAOYSA-N,C7H8N2O2,152.15,152.0585775,0.3,89.3,161,0,3,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-HYDROXY-5-METHYLBENZALDEHYDE,000613-84-3,69184,2-hydroxy-5-methylbenzaldehyde,CC1=CC(=C(C=C1)O)C=O,"InChI=1S/C8H8O2/c1-6-2-3-8(10)7(4-6)5-9/h2-5,10H,1H3",ILEIUTCVWLYZOM-UHFFFAOYSA-N,C8H8O2,136.15,136.0524295,1.7,37.3,122,0,1,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-IODO-2-METHYLBENZENE,000615-37-2,5128,1-iodo-2-methylbenzene,CC1=CC=CC=C1I,"InChI=1S/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3",RINOYHWVBUKAQE-UHFFFAOYSA-N,C7H7I,218.03,217.95925,2.9,0,70,0,0,0,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL 4-BROMOBENZOATE,000619-42-1,12081,methyl 4-bromobenzoate,COC(=O)C1=CC=C(C=C1)Br,"InChI=1S/C8H7BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3",CZNGTXVOZOWWKM-UHFFFAOYSA-N,C8H7BrO2,215.04,213.96294,3,26.3,139,0,0,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL 4-IODOBENZOATE,000619-44-3,69273,methyl 4-iodobenzoate,COC(=O)C1=CC=C(C=C1)I,"InChI=1S/C8H7IO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3",DYUWQWMXZHDZOR-UHFFFAOYSA-N,C8H7IO2,262.04,261.94908,3,26.3,139,0,0,2,2,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
4-HYDRAZINOBENZOIC ACID,000619-67-0,12089,4-hydrazinylbenzoic acid,C1=CC(=CC=C1C(=O)O)NN,"InChI=1S/C7H8N2O2/c8-9-6-3-1-5(2-4-6)7(10)11/h1-4,9H,8H2,(H,10,11)",PCNFLKVWBDNNOW-UHFFFAOYSA-N,C7H8N2O2,152.15,152.0585775,-0.9,75.4,141,0,3,4,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(DIMETHYLAMINO)BENZOIC ACID,000619-84-1,12092,4-(dimethylamino)benzoic acid,CN(C)C1=CC=C(C=C1)C(=O)O,"InChI=1S/C9H11NO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12)",YDIYEOMDOWUDTJ-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,1.8,40.5,160,0,1,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-IODOPHENOL,000626-02-8,12272,3-iodophenol,C1=CC(=CC(=C1)I)O,"InChI=1S/C6H5IO/c7-5-2-1-3-6(8)4-5/h1-4,8H",FXTKWBZFNQHAAO-UHFFFAOYSA-N,C6H5IO,220.01,219.93851,2.9,20.2,74,0,1,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHYL TEREPHTHALATE,000636-09-9,12483,"diethyl benzene-1,4-dicarboxylate",CCOC(=O)C1=CC=C(C=C1)C(=O)OCC,"InChI=1S/C12H14O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3",ONIHPYYWNBVMID-UHFFFAOYSA-N,C12H14O4,222.24,222.0892089,3.8,52.6,215,0,0,4,6,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4,5-TETRABROMOBENZENE",000636-28-2,12486,"1,2,4,5-tetrabromobenzene",C1=C(C(=CC(=C1Br)Br)Br)Br,InChI=1S/C6H2Br4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H,QCKHVNQHBOGZER-UHFFFAOYSA-N,C6H2Br4,393.7,393.6849,5.1,0,90,0,0,0,0,10,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DINITROPHENYLACETIC ACID",000643-43-6,221513,"2-(2,4-dinitrophenyl)acetic acid",C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CC(=O)O,"InChI=1S/C8H6N2O6/c11-8(12)3-5-1-2-6(9(13)14)4-7(5)10(15)16/h1-2,4H,3H2,(H,11,12)",KCNISYPADDTFDO-UHFFFAOYSA-N,C8H6N2O6,226.14,226.0225859,1.1,129,307,0,1,6,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-IODOANISOLE,000696-62-8,69676,1-iodo-4-methoxybenzene,COC1=CC=C(C=C1)I,"InChI=1S/C7H7IO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3",SYSZENVIJHPFNL-UHFFFAOYSA-N,C7H7IO,234.03,233.95416,2.9,9.2,77,0,0,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-ACETYL-L-PHENYLALANINE,002018-61-3,74839,(2S)-2-acetamido-3-phenylpropanoic acid,CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O,"InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1",CBQJSKKFNMDLON-JTQLQIEISA-N,C11H13NO3,207.23,207.0895433,0.6,66.4,234,0,2,3,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-(1,1-DIMETHYLETHYL)-1,3-BENZENEDICARBOXYLIC ACID",002359-09-3,75379,"5-tert-butylbenzene-1,3-dicarboxylic acid",CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C(=O)O,"InChI=1S/C12H14O4/c1-12(2,3)9-5-7(10(13)14)4-8(6-9)11(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16)",BJLUCDZIWWSFIB-UHFFFAOYSA-N,C12H14O4,222.24,222.0892089,2.6,74.6,268,0,2,4,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-METHYL-4-NITROBENZOIC ACID,003113-71-1,18370,3-methyl-4-nitrobenzoic acid,CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-],"InChI=1S/C8H7NO4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3,(H,10,11)",XDTTUTIFWDAMIX-UHFFFAOYSA-N,C8H7NO4,181.15,181.0375077,2.4,83.1,223,0,1,4,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,6-TRIBROMOPHENYL ACRYLATE",003741-77-3,77343,"(2,4,6-tribromophenyl) prop-2-enoate",C=CC(=O)OC1=C(C=C(C=C1Br)Br)Br,"InChI=1S/C9H5Br3O2/c1-2-8(13)14-9-6(11)3-5(10)4-7(9)12/h2-4H,1H2",CNLVUQQHXLTOTC-UHFFFAOYSA-N,C9H5Br3O2,384.85,383.78192,4.3,26.3,220,0,0,2,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,5-DIHYDROXY-1,4-BENZENEDICARBOXYLIC ACID, DIETHYL ESTER",005870-38-2,79980,"diethyl 2,5-dihydroxybenzene-1,4-dicarboxylate",CCOC(=O)C1=CC(=C(C=C1O)C(=O)OCC)O,"InChI=1S/C12H14O6/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h5-6,13-14H,3-4H2,1-2H3",UQOUOXLHXPHDHF-UHFFFAOYSA-N,C12H14O6,254.24,254.0790382,2.8,93.1,273,0,2,6,6,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2-DIETHOXYACETOPHENONE",006175-45-7,22555,"2,2-diethoxy-1-phenylethanone",CCOC(C(=O)C1=CC=CC=C1)OCC,"InChI=1S/C12H16O3/c1-3-14-12(15-4-2)11(13)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3",PIZHFBODNLEQBL-UHFFFAOYSA-N,C12H16O3,208.25,208.1099444,2.2,35.5,179,0,0,3,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMOBENZALDEHYDE,006630-33-7,81129,2-bromobenzaldehyde,C1=CC=C(C(=C1)C=O)Br,InChI=1S/C7H5BrO/c8-7-4-2-1-3-6(7)5-9/h1-5H,NDOPHXWIAZIXPR-UHFFFAOYSA-N,C7H5BrO,185.02,183.95238,2.4,17.1,103,0,0,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-ETHOXYBENZALDEHYDE,010031-82-0,24834,4-ethoxybenzaldehyde,CCOC1=CC=C(C=C1)C=O,"InChI=1S/C9H10O2/c1-2-11-9-5-3-8(7-10)4-6-9/h3-7H,2H2,1H3",JRHHJNMASOIRDS-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,1.6,26.3,115,0,0,2,3,11,,249.00 to 250.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
METHYL BENZOYLFORMATE,015206-55-0,84835,methyl 2-oxo-2-phenylacetate,COC(=O)C(=O)C1=CC=CC=C1,"InChI=1S/C9H8O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6H,1H3",YLHXLHGIAMFFBU-UHFFFAOYSA-N,C9H8O3,164.16,164.0473441,1.7,43.4,180,0,0,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"4-BROMO-3,5-DIHYDROXYBENZOIC ACID",016534-12-6,86023,"4-bromo-3,5-dihydroxybenzoic acid",C1=C(C=C(C(=C1O)Br)O)C(=O)O,"InChI=1S/C7H5BrO4/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2,9-10H,(H,11,12)",NUTRHYYFCDEALP-UHFFFAOYSA-N,C7H5BrO4,233.02,231.93712,1.7,77.8,172,0,3,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-HEXYLBENZOIC ACID,021643-38-9,30725,4-hexylbenzoic acid,CCCCCCC1=CC=C(C=C1)C(=O)O,"InChI=1S/C13H18O2/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14)15/h7-10H,2-6H2,1H3,(H,14,15)",CPEPWESLFZVUEP-UHFFFAOYSA-N,C13H18O2,206.28,206.1306798,5.1,37.3,181,0,1,2,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-PENTYLBENZOIC ACID,026311-45-5,33479,4-pentylbenzoic acid,CCCCCC1=CC=C(C=C1)C(=O)O,"InChI=1S/C12H16O2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9H,2-5H2,1H3,(H,13,14)",CWYNKKGQJYAHQG-UHFFFAOYSA-N,C12H16O2,192.25,192.1150297,4.5,37.3,169,0,1,2,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(+,-)-Methoxymandelic Acid",021150-12-9,89441,2-hydroxy-2-(3-methoxyphenyl)acetic acid,COC1=CC=CC(=C1)C(C(=O)O)O,"InChI=1S/C9H10O4/c1-13-7-4-2-3-6(5-7)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12)",YTRUJRPALUALSN-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,0.8,66.8,180,0,2,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-HYDROXYPHENYLBORONIC ACID,071597-85-8,2734360,(4-hydroxyphenyl)boronic acid,B(C1=CC=C(C=C1)O)(O)O,"InChI=1S/C6H7BO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8-10H",COIQUVGFTILYGA-UHFFFAOYSA-N,C6H7BO3,137.93,138.0488242,,60.7,99,0,3,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-CHLOROBENZYL ALCOHOL,000873-63-2,70117,(3-chlorophenyl)methanol,C1=CC(=CC(=C1)Cl)CO,"InChI=1S/C7H7ClO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2",ZSRDNPVYGSFUMD-UHFFFAOYSA-N,C7H7ClO,142.58,142.0185425,1.9,20.2,85,0,1,1,1,9,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-Dimethoxyphenylacetic Acid",004670-10-4,138316,"2-(3,5-dimethoxyphenyl)acetic acid",COC1=CC(=CC(=C1)CC(=O)O)OC,"InChI=1S/C10H12O4/c1-13-8-3-7(5-10(11)12)4-9(6-8)14-2/h3-4,6H,5H2,1-2H3,(H,11,12)",FFPAFDDLAGTGPQ-UHFFFAOYSA-N,C10H12O4,196.2,196.0735589,1.3,55.8,181,0,1,4,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZAMIDINE HYDROCHLORIDE,206752-36-5,16219042,benzenecarboximidamide;hydrate;hydrochloride,C1=CC=C(C=C1)C(=N)N.O.Cl,"InChI=1S/C7H8N2.ClH.H2O/c8-7(9)6-4-2-1-3-5-6;;/h1-5H,(H3,8,9);1H;1H2",BQVJCMMLDJPBFZ-UHFFFAOYSA-N,C7H11ClN2O,174.63,174.0559907,,50.9,103,0,4,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DIMETHOXYBENZYLAMINE",034967-24-3,420973,"(3,5-dimethoxyphenyl)methanamine",COC1=CC(=CC(=C1)CN)OC,"InChI=1S/C9H13NO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5H,6,10H2,1-2H3",YGZJTYCCONJJGZ-UHFFFAOYSA-N,C9H13NO2,167.2,167.0946287,0.7,44.5,118,0,1,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Trans-4-ACETOXY-3-METHOXYCINNAMALDEHYDE,083071-67-4,7438513,[2-methoxy-4-[(Z)-3-oxoprop-1-enyl]phenyl] acetate,CC(=O)OC1=C(C=C(C=C1)/C=C\C=O)OC,"InChI=1S/C12H12O4/c1-9(14)16-11-6-5-10(4-3-7-13)8-12(11)15-2/h3-8H,1-2H3/b4-3-",VEKAJHBFBMWJKI-ARJAWSKDSA-N,C12H12O4,220.22,220.0735589,1.5,52.6,272,0,0,4,5,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-NITROSTYRENE,000586-39-0,68514,1-ethenyl-3-nitrobenzene,C=CC1=CC(=CC=C1)[N+](=O)[O-],"InChI=1S/C8H7NO2/c1-2-7-4-3-5-8(6-7)9(10)11/h2-6H,1H2",SYZVQXIUVGKCBJ-UHFFFAOYSA-N,C8H7NO2,149.15,149.0476785,2.3,45.8,162,0,0,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BIS(1,1-TRIFLUOROACETOXY)IODOBENZENE",002712-78-9,102317,"[phenyl-(2,2,2-trifluoroacetyl)oxy-lambda3-iodanyl] 2,2,2-trifluoroacetate",C1=CC=C(C=C1)I(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F,"InChI=1S/C10H5F6IO4/c11-9(12,13)7(18)20-17(6-4-2-1-3-5-6)21-8(19)10(14,15)16/h1-5H",PEZNEXFPRSOYPL-UHFFFAOYSA-N,C10H5F6IO4,430.04,429.91368,5,52.6,360,0,0,10,5,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRANS-3-METHOXYCINNAMIC ACID,006099-04-3,637668,(E)-3-(3-methoxyphenyl)prop-2-enoic acid,COC1=CC=CC(=C1)/C=C/C(=O)O,"InChI=1S/C10H10O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-7H,1H3,(H,11,12)/b6-5+",LZPNXAULYJPXEH-AATRIKPKSA-N,C10H10O3,178.18,178.0629942,2.1,46.5,198,0,1,3,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-NITROPHENYLACETIC ACID,001877-73-2,15876,2-(3-nitrophenyl)acetic acid,C1=CC(=CC(=C1)[N+](=O)[O-])CC(=O)O,"InChI=1S/C8H7NO4/c10-8(11)5-6-2-1-3-7(4-6)9(12)13/h1-4H,5H2,(H,10,11)",WUKHOVCMWXMOOA-UHFFFAOYSA-N,C8H7NO4,181.15,181.0375077,1.5,83.1,211,0,1,4,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-AMINOBENZYL ALCOHOL,001877-77-6,80293,(3-aminophenyl)methanol,C1=CC(=CC(=C1)N)CO,"InChI=1S/C7H9NO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5,8H2",OJZQOQNSUZLSMV-UHFFFAOYSA-N,C7H9NO,123.15,123.0684139,-0.1,46.3,85,0,2,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYL 4'-HYDROXY-3'-METHOXYCINNAMATE,004046-02-0,736681,ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate,CCOC(=O)/C=C/C1=CC(=C(C=C1)O)OC,"InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+",ATJVZXXHKSYELS-FNORWQNLSA-N,C12H14O4,222.24,222.0892089,2.2,55.8,249,0,1,4,5,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DIMETHOXYPHENYLACETIC ACID",006496-89-5,350555,"2-(2,4-dimethoxyphenyl)acetic acid",COC1=CC(=C(C=C1)CC(=O)O)OC,"InChI=1S/C10H12O4/c1-13-8-4-3-7(5-10(11)12)9(6-8)14-2/h3-4,6H,5H2,1-2H3,(H,11,12)",ZFXFMGARFHRTTO-UHFFFAOYSA-N,C10H12O4,196.2,196.0735589,1.9,55.8,193,0,1,4,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"POTASSIUM 3,5-BIS(TRIFLUOROMETHYL)PHENYLTRIFLUOROBORATE",166328-09-2,23668091,"potassium [3,5-bis(trifluoromethyl)phenyl]-trifluoroboranuide",[B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(F)(F)F.[K+],"InChI=1S/C8H3BF9.K/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16,17)18;/h1-3H;/q-1;+1",WCHMTVMZBOZGCS-UHFFFAOYSA-N,C8H3BF9K,320.01,319.9821152,,0,272,0,0,10,0,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DIFLUOROPHENYLBORONIC ACID",144025-03-6,2734334,"(2,4-difluorophenyl)boronic acid",B(C1=C(C=C(C=C1)F)F)(O)O,"InChI=1S/C6H5BF2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H",QQLRSCZSKQTFGY-UHFFFAOYSA-N,C6H5BF2O2,157.91,158.0350659,,40.5,134,0,2,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMO-2-METHOXYPHENOL,007368-78-7,262234,4-bromo-2-methoxyphenol,COC1=C(C=CC(=C1)Br)O,"InChI=1S/C7H7BrO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3",WHSIIJQOEGXWSN-UHFFFAOYSA-N,C7H7BrO2,203.03,201.96294,1.5,29.5,108,0,1,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMOBENZALDEHYDE DIETHYL ACETAL,035822-58-3,3482778,1-bromo-2-(diethoxymethyl)benzene,CCOC(C1=CC=CC=C1Br)OCC,"InChI=1S/C11H15BrO2/c1-3-13-11(14-4-2)9-7-5-6-8-10(9)12/h5-8,11H,3-4H2,1-2H3",APDGYQVYBWGBSD-UHFFFAOYSA-N,C11H15BrO2,259.14,258.02554,3,18.5,146,0,0,2,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BROMOBENZALDEHYDE DIETHYL ACETAL,075148-49-1,2733543,1-bromo-3-(diethoxymethyl)benzene,CCOC(C1=CC(=CC=C1)Br)OCC,"InChI=1S/C11H15BrO2/c1-3-13-11(14-4-2)9-6-5-7-10(12)8-9/h5-8,11H,3-4H2,1-2H3",KDHRJLQXMOBXRV-UHFFFAOYSA-N,C11H15BrO2,259.14,258.02554,3,18.5,146,0,0,2,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-NITROTHIOPHENOL,001849-36-1,15809,4-nitrobenzenethiol,C1=CC(=CC=C1[N+](=O)[O-])S,"InChI=1S/C6H5NO2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H",AXBVSRMHOPMXBA-UHFFFAOYSA-N,C6H5NO2S,155.18,155.0040996,2,46.8,126,0,1,3,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4,5-TETRAFLOURO-3,6-DIIODOBENZENE",000392-57-4,67850,"1,2,4,5-tetrafluoro-3,6-diiodobenzene",C1(=C(C(=C(C(=C1I)F)F)I)F)F,InChI=1S/C6F4I2/c7-1-2(8)6(12)4(10)3(9)5(1)11,VIXRAZODEODOJF-UHFFFAOYSA-N,C6F4I2,401.87,401.80256,3.6,0,134,0,0,4,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-PHENYLBIS(TRIFLUOROMETHANESULFONIMIDE),037595-74-7,142176,"1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide",C1=CC=C(C=C1)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F,"InChI=1S/C8H5F6NO4S2/c9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14/h1-5H",DIOHEXPTUTVCNX-UHFFFAOYSA-N,C8H5F6NO4S2,357.3,356.956419,3.1,88.3,518,0,0,11,3,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-DIMETHOXY-5-HYDROXYBENZALDEHYDE",029865-90-5,141513,"3-hydroxy-4,5-dimethoxybenzaldehyde",COC1=CC(=CC(=C1OC)O)C=O,"InChI=1S/C9H10O4/c1-12-8-4-6(5-10)3-7(11)9(8)13-2/h3-5,11H,1-2H3",NVLTWXMZECWWPC-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,1,55.8,171,0,1,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-DIHYDROXY-5-METHOXYBENZALDEHYDE",003934-87-0,77535,"3,4-dihydroxy-5-methoxybenzaldehyde",COC1=CC(=CC(=C1O)O)C=O,"InChI=1S/C8H8O4/c1-12-7-3-5(4-9)2-6(10)8(7)11/h2-4,10-11H,1H3",RRKMWVISRMWBAL-UHFFFAOYSA-N,C8H8O4,168.15,168.0422587,-0.3,66.8,159,0,2,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BROMOBENZYLAMINE HYDROCHLORIDE,039959-54-1,2724980,(3-bromophenyl)methanamine;hydrochloride,C1=CC(=CC(=C1)Br)CN.Cl,"InChI=1S/C7H8BrN.ClH/c8-7-3-1-2-6(4-7)5-9;/h1-4H,5,9H2;1H",UGEQUCUBWNAUJS-UHFFFAOYSA-N,C7H9BrClN,222.51,220.96069,,26,85,0,2,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-VINYLBENZYL ACETATE, STABILIZED",001592-12-7,2735161,(4-ethenylphenyl)methyl acetate,CC(=O)OCC1=CC=C(C=C1)C=C,"InChI=1S/C11H12O2/c1-3-10-4-6-11(7-5-10)8-13-9(2)12/h3-7H,1,8H2,2H3",LEIKPUSDAWATBV-UHFFFAOYSA-N,C11H12O2,176.21,176.0837296,2.9,26.3,179,0,0,2,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-HYDROXYPHTHALONITRILE,030757-50-7,3875765,"4-hydroxybenzene-1,2-dicarbonitrile",C1=CC(=C(C=C1O)C#N)C#N,"InChI=1S/C8H4N2O/c9-4-6-1-2-8(11)3-7(6)5-10/h1-3,11H",FTVOPKROFUTOKY-UHFFFAOYSA-N,C8H4N2O,144.13,144.0323628,1,67.8,231,0,1,3,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(2-HYDROXYBENZOYL)-L-ASPARTIC ACID,056145-94-9,3043783,(2S)-2-[(2-hydroxybenzoyl)amino]butanedioic acid,C1=CC=C(C(=C1)C(=O)N[C@@H](CC(=O)O)C(=O)O)O,"InChI=1S/C11H11NO6/c13-8-4-2-1-3-6(8)10(16)12-7(11(17)18)5-9(14)15/h1-4,7,13H,5H2,(H,12,16)(H,14,15)(H,17,18)/t7-/m0/s1",JMJWCANHASMNST-ZETCQYMHSA-N,C11H11NO6,253.21,253.0586371,0.5,124,342,0,4,6,5,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(2-HYDROXYBENZOYL)-L-GLUTAMIC ACID,003441-69-8,165120,(2S)-2-[(2-hydroxybenzoyl)amino]pentanedioic acid,C1=CC=C(C(=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)O,"InChI=1S/C12H13NO6/c14-9-4-2-1-3-7(9)11(17)13-8(12(18)19)5-6-10(15)16/h1-4,8,14H,5-6H2,(H,13,17)(H,15,16)(H,18,19)/t8-/m0/s1",SLCAFYIDOSJSMB-QMMMGPOBSA-N,C12H13NO6,267.23,267.0742871,0.9,124,356,0,4,6,6,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-DIBROMO-2,5-DIMETHOXYBENZENE",002674-34-2,231240,"1,4-dibromo-2,5-dimethoxybenzene",COC1=CC(=C(C=C1Br)OC)Br,"InChI=1S/C8H8Br2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3",CHCLRVOURKGRSW-UHFFFAOYSA-N,C8H8Br2O2,295.96,295.88706,3.2,18.5,127,0,0,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMOBENZYLAMINE HYDROCHLORIDE,026177-44-6,2724096,(4-bromophenyl)methanamine;hydrochloride,C1=CC(=CC=C1CN)Br.Cl,"InChI=1S/C7H8BrN.ClH/c8-7-3-1-6(5-9)2-4-7;/h1-4H,5,9H2;1H",BVYUYDBWQMSOKM-UHFFFAOYSA-N,C7H9BrClN,222.51,220.96069,,26,77,0,2,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-DIAMINO-4,5-DIFLUOROBENZENE",076179-40-3,2736755,"4,5-difluorobenzene-1,2-diamine",C1=C(C(=CC(=C1F)F)N)N,"InChI=1S/C6H6F2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2",PPWRHKISAQTCCG-UHFFFAOYSA-N,C6H6F2N2,144.12,144.0499045,0.8,52,106,0,2,4,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-DECYLANILINE,037529-30-9,92309,4-decylaniline,CCCCCCCCCCC1=CC=C(C=C1)N,"InChI=1S/C16H27N/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15/h11-14H,2-10,17H2,1H3",WGENWPANMZLPIH-UHFFFAOYSA-N,C16H27N,233.39,233.2143499,6.1,26,159,0,1,1,9,17,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-AMINO-ALPHA-METHYLBENZYL ALCOHOL,014572-89-5,85753,1-(4-aminophenyl)ethanol,CC(C1=CC=C(C=C1)N)O,"InChI=1S/C8H11NO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,9H2,1H3",JDEYBJHOTWGYFE-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,0.8,46.3,97,0,2,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIMETHOXYPHENYLBORONIC ACID",023112-96-1,2734343,"(2,6-dimethoxyphenyl)boronic acid",B(C1=C(C=CC=C1OC)OC)(O)O,"InChI=1S/C8H11BO4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5,10-11H,1-2H3",BKWVXPCYDRURMK-UHFFFAOYSA-N,C8H11BO4,181.98,182.075039,,58.9,141,0,2,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-(4-IODOPHENYL)ETHAN-1-ONE,013329-40-3,72869,1-(4-iodophenyl)ethanone,CC(=O)C1=CC=C(C=C1)I,"InChI=1S/C8H7IO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3",JZJWCDQGIPQBAO-UHFFFAOYSA-N,C8H7IO,246.04,245.95416,2.4,17.1,125,0,0,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-HYDROXYBENZOHYDRAZIDE,005351-23-5,1742,4-hydroxybenzohydrazide,C1=CC(=CC=C1C(=O)NN)O,"InChI=1S/C7H8N2O2/c8-9-7(11)5-1-3-6(10)4-2-5/h1-4,10H,8H2,(H,9,11)",ZMZGIVVRBMFZSG-UHFFFAOYSA-N,C7H8N2O2,152.15,152.0585775,-0.3,75.4,141,0,3,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIHYDROXYBENZOIC ACID METHYL ESTER",002150-45-0,519869,"methyl 2,6-dihydroxybenzoate",COC(=O)C1=C(C=CC=C1O)O,"InChI=1S/C8H8O4/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4,9-10H,1H3",WCQZCKUNZVMBDC-UHFFFAOYSA-N,C8H8O4,168.15,168.0422587,2,66.8,158,0,2,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,6-DIHYDROXYPHTHALONITRILE",004733-50-0,78467,"3,6-dihydroxybenzene-1,2-dicarbonitrile",C1=CC(=C(C(=C1O)C#N)C#N)O,"InChI=1S/C8H4N2O2/c9-3-5-6(4-10)8(12)2-1-7(5)11/h1-2,11-12H",MPAIWVOBMLSHQA-UHFFFAOYSA-N,C8H4N2O2,160.13,160.0272774,1.8,88,231,0,2,4,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL 2-AMINO-5-BROMOBENZOATE,052727-57-8,736224,methyl 2-amino-5-bromobenzoate,COC(=O)C1=C(C=CC(=C1)Br)N,"InChI=1S/C8H8BrNO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3",QVNYNHCNNGKULA-UHFFFAOYSA-N,C8H8BrNO2,230.06,228.97384,3.4,52.3,174,0,1,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BENZOYLBUTYRIC ACID,001501-05-9,73914,5-oxo-5-phenylpentanoic acid,C1=CC=C(C=C1)C(=O)CCCC(=O)O,"InChI=1S/C11H12O3/c12-10(7-4-8-11(13)14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14)",SHKWSBAVRQZYLE-UHFFFAOYSA-N,C11H12O3,192.21,192.0786442,1.7,54.4,205,0,1,3,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DIBROMOHYDROQUINONE",014753-51-6,280945,"2,5-dibromobenzene-1,4-diol",C1=C(C(=CC(=C1Br)O)Br)O,"InChI=1S/C6H4Br2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H",VALXCIRMSIFPFN-UHFFFAOYSA-N,C6H4Br2O2,267.9,267.85576,2.6,40.5,106,0,2,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIMETHYL-4-NITROPHENOL",002423-71-4,17030,"2,6-dimethyl-4-nitrophenol",CC1=CC(=CC(=C1O)C)[N+](=O)[O-],"InChI=1S/C8H9NO3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2H3",FNORUNUDZNWQFF-UHFFFAOYSA-N,C8H9NO3,167.16,167.0582431,1.2,66.1,166,0,1,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-(ALLYLOXY)BENZALDEHYDE,040663-68-1,95942,4-prop-2-enoxybenzaldehyde,C=CCOC1=CC=C(C=C1)C=O,"InChI=1S/C10H10O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h2-6,8H,1,7H2",TYNJQOJWNMZQFZ-UHFFFAOYSA-N,C10H10O2,162.18,162.0680796,2.4,26.3,146,0,0,2,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
CATECHOL-O-O'-DIACETIC ACID,005411-14-3,79427,2-[2-(carboxymethoxy)phenoxy]acetic acid,C1=CC=C(C(=C1)OCC(=O)O)OCC(=O)O,"InChI=1S/C10H10O6/c11-9(12)5-15-7-3-1-2-4-8(7)16-6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)",PPZYHOQWRAUWAY-UHFFFAOYSA-N,C10H10O6,226.18,226.047738,0.6,93.1,226,0,2,6,6,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GLYCINE BENZYL ESTER HYDROCHLORIDE,002462-31-9,11701227,benzyl 2-aminoacetate;hydrochloride,C1=CC=C(C=C1)COC(=O)CN.Cl,"InChI=1S/C9H11NO2.ClH/c10-6-9(11)12-7-8-4-2-1-3-5-8;/h1-5H,6-7,10H2;1H",VLQHNAMRWPQWNK-UHFFFAOYSA-N,C9H12ClNO2,201.65,201.0556563,,52.3,141,0,2,3,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DIAMINO-1,4-DIHYDROXY-BENZENE DIHYDROCHLORIDE",024171-03-7,16212088,"2,5-diaminobenzene-1,4-diol;dihydrochloride",C1=C(C(=CC(=C1O)N)O)N.Cl.Cl,"InChI=1S/C6H8N2O2.2ClH/c7-3-1-5(9)4(8)2-6(3)10;;/h1-2,9-10H,7-8H2;2*1H",NILKAWPWTYPHAH-UHFFFAOYSA-N,C6H10Cl2N2O2,213.06,212.011933,,92.5,106,0,6,4,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHENYLGLYOXYLIC ACID,000611-73-4,11915,2-oxo-2-phenylacetic acid,C1=CC=C(C=C1)C(=O)C(=O)O,"InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)",FAQJJMHZNSSFSM-UHFFFAOYSA-N,C8H6O3,150.13,150.031694,1.3,54.4,168,0,1,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-BROMO-3,5-DIMETHOXYBENZENE",020469-65-2,639187,"1-bromo-3,5-dimethoxybenzene",COC1=CC(=CC(=C1)Br)OC,"InChI=1S/C8H9BrO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3",KRWRFIMBWRVMKE-UHFFFAOYSA-N,C8H9BrO2,217.06,215.97859,2.7,18.5,107,0,0,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CHLORO-3-NITROBENZOIC ACID,003970-35-2,19870,2-chloro-3-nitrobenzoic acid,C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O,"InChI=1S/C7H4ClNO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11)",JRQDVRIQJJPHEQ-UHFFFAOYSA-N,C7H4ClNO4,201.56,200.9828853,1.9,83.1,227,0,1,4,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1)-4-(1,2-DIHYDROXYETHYL)PYROCATECHOL",028822-73-3,91528,"4-(1,2-dihydroxyethyl)benzene-1,2-diol",C1=CC(=C(C=C1C(CO)O)O)O,"InChI=1S/C8H10O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8-12H,4H2",MTVWFVDWRVYDOR-UHFFFAOYSA-N,C8H10O4,170.16,170.0579088,-1,80.9,139,0,4,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-ETHYNYLBENZONITRILE,003032-92-6,4547245,4-ethynylbenzonitrile,C#CC1=CC=C(C=C1)C#N,"InChI=1S/C9H5N/c1-2-8-3-5-9(7-10)6-4-8/h1,3-6H",LAGNMUUUMQJXBF-UHFFFAOYSA-N,C9H5N,127.14,127.0421992,1.9,23.8,191,0,0,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMOPHENYLBORONIC ACID,244205-40-1,2773294,(2-bromophenyl)boronic acid,B(C1=CC=CC=C1Br)(O)O,"InChI=1S/C6H6BBrO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,9-10H",PLVCYMZAEQRYHJ-UHFFFAOYSA-N,C6H6BBrO2,200.83,199.96442,,40.5,110,0,2,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-CHLORO-3,5-DIBROMOBENZENE",014862-52-3,84676,"1,3-dibromo-5-chlorobenzene",C1=C(C=C(C=C1Br)Br)Cl,InChI=1S/C6H3Br2Cl/c7-4-1-5(8)3-6(9)2-4/h1-3H,FNKCOUREFBNNHG-UHFFFAOYSA-N,C6H3Br2Cl,270.35,269.82695,4.4,0,87,0,0,0,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,6-TRIMETHOXYBENZENEBORONIC ACID",135159-25-0,4197996,"(2,4,6-trimethoxyphenyl)boronic acid",B(C1=C(C=C(C=C1OC)OC)OC)(O)O,"InChI=1S/C9H13BO5/c1-13-6-4-7(14-2)9(10(11)12)8(5-6)15-3/h4-5,11-12H,1-3H3",PKLRXZVPEQJTTJ-UHFFFAOYSA-N,C9H13BO5,212.01,212.0856037,,68.2,175,0,2,5,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(4-BROMOPHENYLETHYNYL)TRIMETHYLSILANE,016116-78-2,4226980,2-(4-bromophenyl)ethynyl-trimethylsilane,C[Si](C)(C)C#CC1=CC=C(C=C1)Br,"InChI=1S/C11H13BrSi/c1-13(2,3)9-8-10-4-6-11(12)7-5-10/h4-7H,1-3H3",RNMSGCJGNJYDNS-UHFFFAOYSA-N,C11H13BrSi,253.21,251.99699,,0,219,0,0,0,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
3-PROPOXYPHENYLBORONIC ACID,149557-18-6,3691230,(3-propoxyphenyl)boronic acid,B(C1=CC(=CC=C1)OCCC)(O)O,"InChI=1S/C9H13BO3/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h3-5,7,11-12H,2,6H2,1H3",SRSWMXFANVKOFH-UHFFFAOYSA-N,C9H13BO3,180.01,180.0957744,,49.7,141,0,2,3,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-DIMETHOXYPHENYLBORONIC ACID",122775-35-3,2734702,"(3,4-dimethoxyphenyl)boronic acid",B(C1=CC(=C(C=C1)OC)OC)(O)O,"InChI=1S/C8H11BO4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5,10-11H,1-2H3",RCVDPBFUMYUKPB-UHFFFAOYSA-N,C8H11BO4,181.98,182.075039,,58.9,153,0,2,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IODOPENTAFLUOROBENZENE,000827-15-6,70008,"1,2,3,4,5-pentafluoro-6-iodobenzene",C1(=C(C(=C(C(=C1F)F)I)F)F)F,InChI=1S/C6F5I/c7-1-2(8)4(10)6(12)5(11)3(1)9,OPYHNLNYCRZOGY-UHFFFAOYSA-N,C6F5I,293.96,293.89649,3.1,0,150,0,0,5,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DIMETHOXYBENZALDEHYDE",007311-34-4,81747,"3,5-dimethoxybenzaldehyde",COC1=CC(=CC(=C1)C=O)OC,"InChI=1S/C9H10O3/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-6H,1-2H3",VFZRZRDOXPRTSC-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.3,35.5,135,0,0,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BENZENE-3,4,5,6-D4-DICARBOXYLIC ACID",087976-26-9,16212019,"3,4,5,6-tetradeuteriophthalic acid",[2H]C1=C(C(=C(C(=C1[2H])C(=O)O)C(=O)O)[2H])[2H],"InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)/i1D,2D,3D,4D",XNGIFLGASWRNHJ-RHQRLBAQSA-N,C8H6O4,170.15,170.0517157,0.7,74.6,177,0,2,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,5-DIMETHOXY-2-NITROBENZOIC ACID",004998-07-6,78690,"4,5-dimethoxy-2-nitrobenzoic acid",COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OC,"InChI=1S/C9H9NO6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4H,1-2H3,(H,11,12)",WWCMFGBGMJAJRX-UHFFFAOYSA-N,C9H9NO6,227.17,227.042987,1.2,102,276,0,1,6,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAFLUOROISOPHTHALIC ACID,001551-39-9,297552,"2,4,5,6-tetrafluorobenzene-1,3-dicarboxylic acid",C1(=C(C(=C(C(=C1F)F)F)C(=O)O)F)C(=O)O,"InChI=1S/C8H2F4O4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h(H,13,14)(H,15,16)",PGRIMKUYGUHAKH-UHFFFAOYSA-N,C8H2F4O4,238.09,237.9889212,1.4,74.6,282,0,2,8,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-FLUORO-4-(METHYLTHIO)BENZENE,000371-15-3,3083565,1-fluoro-4-methylsulfanylbenzene,CSC1=CC=C(C=C1)F,"InChI=1S/C7H7FS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3",XFUMHENRNCUHOH-UHFFFAOYSA-N,C7H7FS,142.2,142.0252496,2.5,25.3,77,0,0,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PENTAFLUOROPHENYLBORONIC ACID,001582-24-7,2775922,"(2,3,4,5,6-pentafluorophenyl)boronic acid",B(C1=C(C(=C(C(=C1F)F)F)F)F)(O)O,InChI=1S/C6H2BF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h13-14H,VASOMTXTRMYSKD-UHFFFAOYSA-N,C6H2BF5O2,211.88,212.0068003,,40.5,191,0,2,7,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-HYDROXY-2-METHOXYBENZALDEHYDE,018278-34-7,519541,4-hydroxy-2-methoxybenzaldehyde,COC1=C(C=CC(=C1)O)C=O,"InChI=1S/C8H8O3/c1-11-8-4-7(10)3-2-6(8)5-9/h2-5,10H,1H3",WBIZZNFQJPOKDK-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,1.2,46.5,135,0,1,3,2,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
3-AMINOBENZENEBORONIC ACID,030418-59-8,92269,(3-aminophenyl)boronic acid,B(C1=CC(=CC=C1)N)(O)O,"InChI=1S/C6H8BNO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H,8H2",JMZFEHDNIAQMNB-UHFFFAOYSA-N,C6H8BNO2,136.95,137.0648087,,66.5,110,0,3,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-HYDROXY-P-TOLUIC ACID,000586-30-1,68512,3-hydroxy-4-methylbenzoic acid,CC1=C(C=C(C=C1)C(=O)O)O,"InChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,9H,1H3,(H,10,11)",ZQLCWPXBHUALQC-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,1.5,57.5,155,0,2,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(DIMETHYLAMINO)PHENYLBORONIC ACID,028611-39-4,2734344,[4-(dimethylamino)phenyl]boronic acid,B(C1=CC=C(C=C1)N(C)C)(O)O,"InChI=1S/C8H12BNO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6,11-12H,1-2H3",RIIPFHVHLXPMHQ-UHFFFAOYSA-N,C8H12BNO2,165,165.0961088,,43.7,133,0,2,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-BROMO-1,2-BENZENEDIOL",014381-51-2,26659,"3-bromobenzene-1,2-diol",C1=CC(=C(C(=C1)Br)O)O,"InChI=1S/C6H5BrO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H",JPBDMIWPTFDFEU-UHFFFAOYSA-N,C6H5BrO2,189.01,187.94729,2.3,40.5,97,0,2,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-DIBROMO-2,5-DIIODOBENZENE",063262-06-6,11123771,"1,4-dibromo-2,5-diiodobenzene",C1=C(C(=CC(=C1I)Br)I)Br,InChI=1S/C6H2Br2I2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H,IVKPEQAIHJWGGT-UHFFFAOYSA-N,C6H2Br2I2,487.7,487.65922,4.6,0,106,0,0,0,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-BROMOCATECHOL,017345-77-6,28487,"4-bromobenzene-1,2-diol",C1=CC(=C(C=C1Br)O)O,"InChI=1S/C6H5BrO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H",AQVKHRQMAUJBBP-UHFFFAOYSA-N,C6H5BrO2,189.01,187.94729,2.5,40.5,97,0,2,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-TERT-BUTYLBENZYL MERCAPTAN,049543-63-7,2757252,(4-tert-butylphenyl)methanethiol,CC(C)(C)C1=CC=C(C=C1)CS,"InChI=1S/C11H16S/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3",UIYKSYBJKIMANV-UHFFFAOYSA-N,C11H16S,180.31,180.0972717,3.7,1,126,0,1,1,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-PROPYL-1,3-BENZENEDIOL",000500-49-2,3083600,"5-propylbenzene-1,3-diol",CCCC1=CC(=CC(=C1)O)O,"InChI=1S/C9H12O2/c1-2-3-7-4-8(10)6-9(11)5-7/h4-6,10-11H,2-3H2,1H3",FRNQLQRBNSSJBK-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,2.6,40.5,104,0,2,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-IODOBENZYL ALCOHOL,057455-06-8,42300,(3-iodophenyl)methanol,C1=CC(=CC(=C1)I)CO,"InChI=1S/C7H7IO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2",QGCCNWSXJHGUNL-UHFFFAOYSA-N,C7H7IO,234.03,233.95416,2.3,20.2,85,0,1,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
POLY(ETHYLENE GLYCOL) METHYL ETHER TOSYLATE,058320-73-3,86977,2-methoxyethyl 4-methylbenzenesulfonate,CC1=CC=C(C=C1)S(=O)(=O)OCCOC,"InChI=1S/C10H14O4S/c1-9-3-5-10(6-4-9)15(11,12)14-8-7-13-2/h3-6H,7-8H2,1-2H3",TZXJJSAQSRHKCZ-UHFFFAOYSA-N,C10H14O4S,230.28,230.0612801,1.3,61,260,0,0,4,5,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,5-DIBROMOBENZENE-1,2-DIOL",002563-26-0,223326,"4,5-dibromobenzene-1,2-diol",C1=C(C(=CC(=C1Br)Br)O)O,"InChI=1S/C6H4Br2O2/c7-3-1-5(9)6(10)2-4(3)8/h1-2,9-10H",IOZHUUKIHMKXRG-UHFFFAOYSA-N,C6H4Br2O2,267.9,267.85576,2.6,40.5,106,0,2,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM BENZYLOXYMETHYLTRIFLUOROBORATE,1027642-25-6,45588183,potassium trifluoro(phenylmethoxymethyl)boranuide,[B-](COCC1=CC=CC=C1)(F)(F)F.[K+],"InChI=1S/C8H9BF3O.K/c10-9(11,12)7-13-6-8-4-2-1-3-5-8;/h1-5H,6-7H2;/q-1;+1",MVZQNVFTJPRHAF-UHFFFAOYSA-N,C8H9BF3KO,228.06,228.033561,,9.2,148,0,0,5,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,5-DIHYDROXY-1,3-BENZENEDISULFONIC ACID DISODIUM SALT MONOHYDRATE",270573-71-2,2723960,"disodium;4,5-dihydroxybenzene-1,3-disulfonate;hydrate",C1=C(C=C(C(=C1O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].O.[Na+].[Na+],"InChI=1S/C6H6O8S2.2Na.H2O/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;;1H2/q;2*+1;/p-2",ZLRROLLKQDRDPI-UHFFFAOYSA-L,C6H6Na2O9S2,332.2,331.9248627,,173,413,0,3,9,0,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-BROMO-3,5-BIS(TRIFLUOROMETHYL)BENZENE",000328-70-1,67602,"1-bromo-3,5-bis(trifluoromethyl)benzene",C1=C(C=C(C=C1C(F)(F)F)Br)C(F)(F)F,"InChI=1S/C8H3BrF6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H",CSVCVIHEBDJTCJ-UHFFFAOYSA-N,C8H3BrF6,293,291.93223,4.9,0,198,0,0,6,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHENYL VINYLSULFONATE,001562-34-1,564920,phenyl ethenesulfonate,C=CS(=O)(=O)OC1=CC=CC=C1,"InChI=1S/C8H8O3S/c1-2-12(9,10)11-8-6-4-3-5-7-8/h2-7H,1H2",CILDJVVXNMDAGY-UHFFFAOYSA-N,C8H8O3S,184.21,184.0194153,1.7,51.8,232,0,0,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DICHLOROPHENYLBORONIC ACID",135145-90-3,2773371,"(2,5-dichlorophenyl)boronic acid",B(C1=C(C=CC(=C1)Cl)Cl)(O)O,"InChI=1S/C6H5BCl2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H",NNTFPBXQPOQRBT-UHFFFAOYSA-N,C6H5BCl2O2,190.82,189.975965,,40.5,134,0,2,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMO-6-FLUOROANISOLE,845829-94-9,16102688,1-bromo-3-fluoro-2-methoxybenzene,COC1=C(C=CC=C1Br)F,"InChI=1S/C7H6BrFO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3",RLSQPLJXDTXSCL-UHFFFAOYSA-N,C7H6BrFO,205.02,203.95861,2.7,9.2,110,0,0,2,1,10,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMO-3-METHYLBENZOIC ACID METHYL ESTER,148547-19-7,3294148,methyl 4-bromo-3-methylbenzoate,CC1=C(C=CC(=C1)C(=O)OC)Br,"InChI=1S/C9H9BrO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,1-2H3",GTZTYNPAPQKIIR-UHFFFAOYSA-N,C9H9BrO2,229.07,227.97859,2.8,26.3,170,0,0,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-HYDROXY-3-METHOXYBENZENEETHANOL,002380-78-1,16928,4-(2-hydroxyethyl)-2-methoxyphenol,COC1=C(C=CC(=C1)CCO)O,"InChI=1S/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3",XHUBSJRBOQIZNI-UHFFFAOYSA-N,C9H12O3,168.19,168.0786442,0.5,49.7,127,0,2,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-HYDROXY-3-METHOXYBENZENEPROPANOL,002305-13-7,16822,4-(3-hydroxypropyl)-2-methoxyphenol,COC1=C(C=CC(=C1)CCCO)O,"InChI=1S/C10H14O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h4-5,7,11-12H,2-3,6H2,1H3",MWOMNLDJNQWJMK-UHFFFAOYSA-N,C10H14O3,182.22,182.0942943,0.8,49.7,138,0,2,3,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3,5,6-TETRAFLUOROBENZALDEHYDE",019842-76-3,601331,"2,3,5,6-tetrafluorobenzaldehyde",C1=C(C(=C(C(=C1F)F)C=O)F)F,InChI=1S/C7H2F4O/c8-4-1-5(9)7(11)3(2-12)6(4)10/h1-2H,YIRYOMXPMOLQSO-UHFFFAOYSA-N,C7H2F4O,178.08,178.0041773,1.9,17.1,161,0,0,5,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEETHANAMINE, HYDROBROMIDE",053916-94-2,70441016,2-phenylethanamine;hydrobromide,C1=CC=C(C=C1)CCN.Br,"InChI=1S/C8H11N.BrH/c9-7-6-8-4-2-1-3-5-8;/h1-5H,6-7,9H2;1H",IRAGENYJMTVCCV-UHFFFAOYSA-N,C8H12BrN,202.09,201.01531,,26,65,0,2,1,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3,5-TRIACETYLBENZENE",000779-90-8,69904,"1-(3,5-diacetylphenyl)ethanone",CC(=O)C1=CC(=CC(=C1)C(=O)C)C(=O)C,"InChI=1S/C12H12O3/c1-7(13)10-4-11(8(2)14)6-12(5-10)9(3)15/h4-6H,1-3H3",HSOAIPRTHLEQFI-UHFFFAOYSA-N,C12H12O3,204.22,204.0786442,1,51.2,234,0,0,3,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-VINYLANILINE,015411-43-5,4260041,3-ethenylaniline,C=CC1=CC(=CC=C1)N,"InChI=1S/C8H9N/c1-2-7-4-3-5-8(9)6-7/h2-6H,1,9H2",IFSSSYDVRQSDSG-UHFFFAOYSA-N,C8H9N,119.16,119.0734993,1.8,26,98,0,1,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2',4'-DIHYDROXY-3'-METHYLACETOPHENONE",010139-84-1,592139,"1-(2,4-dihydroxy-3-methylphenyl)ethanone",CC1=C(C=CC(=C1O)C(=O)C)O,"InChI=1S/C9H10O3/c1-5-8(11)4-3-7(6(2)10)9(5)12/h3-4,11-12H,1-2H3",KMTLZBUHQPQFAV-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.8,57.5,179,0,2,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DIBROMOBENZYL ALCOHOL",145691-59-4,7009423,"(3,5-dibromophenyl)methanol",C1=C(C=C(C=C1Br)Br)CO,"InChI=1S/C7H6Br2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2",ZQNSHKZQTZSNTB-UHFFFAOYSA-N,C7H6Br2O,265.93,265.87649,2.4,20.2,97,0,1,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,6-TRIFLUOROBENZALDEHYDE",058551-83-0,521845,"2,4,6-trifluorobenzaldehyde",C1=C(C=C(C(=C1F)C=O)F)F,InChI=1S/C7H3F3O/c8-4-1-6(9)5(3-11)7(10)2-4/h1-3H,KPJIEPBITZLHPQ-UHFFFAOYSA-N,C7H3F3O,160.09,160.0135992,1.7,17.1,139,0,0,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-ALLYLPHENOL,000501-92-8,68148,4-prop-2-enylphenol,C=CCC1=CC=C(C=C1)O,"InChI=1S/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2",RGIBXDHONMXTLI-UHFFFAOYSA-N,C9H10O,134.17,134.0731649,2.9,20.2,101,0,1,1,2,10,,234.00 to 236.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-NITROPHLOROGLUCINOL,016600-92-3,85509,"2-nitrobenzene-1,3,5-triol",C1=C(C=C(C(=C1O)[N+](=O)[O-])O)O,"InChI=1S/C6H5NO5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H",QSVQZFVXAUGEMT-UHFFFAOYSA-N,C6H5NO5,171.11,171.0167723,1.8,107,167,0,3,5,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENSERAZIDE HYDROCHLORIDE,014919-77-8,26964,"2-amino-3-hydroxy-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide;hydrochloride",C1=CC(=C(C(=C1CNNC(=O)C(CO)N)O)O)O.Cl,"InChI=1S/C10H15N3O5.ClH/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16;/h1-2,6,12,14-17H,3-4,11H2,(H,13,18);1H",ULFCBIUXQQYDEI-UHFFFAOYSA-N,C10H16ClN3O5,293.7,293.0778483,,148,278,0,8,7,5,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,6-TRIHYDROXYBENZENE-1,3,5-TRICARBALDEHYDE",034374-88-4,11390177,"2,4,6-trihydroxybenzene-1,3,5-tricarbaldehyde",C(=O)C1=C(C(=C(C(=C1O)C=O)O)C=O)O,"InChI=1S/C9H6O6/c10-1-4-7(13)5(2-11)9(15)6(3-12)8(4)14/h1-3,13-15H",KAPNIDMXEKQLMQ-UHFFFAOYSA-N,C9H6O6,210.14,210.0164379,0.9,112,205,0,3,6,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3,5-BIS(TRIFLUOROMETHYL)NITROBENZENE",000328-75-6,67603,"1-nitro-3,5-bis(trifluoromethyl)benzene",C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])C(F)(F)F,"InChI=1S/C8H3F6NO2/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)15(16)17/h1-3H",GMUWJDVVXLBMEZ-UHFFFAOYSA-N,C8H3F6NO2,259.1,259.0067973,4.1,45.8,272,0,0,8,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DEUTERATED DIMETHYL TEREPHTHALATE-2,3,5,6-D4",074079-01-9,12241382,"dimethyl 2,3,5,6-tetradeuteriobenzene-1,4-dicarboxylate",[2H]C1=C(C(=C(C(=C1C(=O)OC)[2H])[2H])C(=O)OC)[2H],"InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3/i3D,4D,5D,6D",WOZVHXUHUFLZGK-LNFUJOGGSA-N,C10H10O4,198.21,198.0830158,2.2,52.6,192,0,0,4,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-[4-(DIMETHYLAMINO)PHENYL]PROPANOIC ACID HYDROCHLORIDE,073718-09-9,7063994,3-[4-(dimethylamino)phenyl]propanoic acid,CN(C)C1=CC=C(C=C1)CCC(=O)O,"InChI=1S/C11H15NO2/c1-12(2)10-6-3-9(4-7-10)5-8-11(13)14/h3-4,6-7H,5,8H2,1-2H3,(H,13,14)",YEETZXRKMHAPRM-UHFFFAOYSA-N,C11H15NO2,193.24,193.1102787,1.6,40.5,184,0,1,3,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-FLUORO-4-FORMYLPHENYLBORONIC ACID,871126-22-6,16218045,(2-fluoro-4-formylphenyl)boronic acid,B(C1=C(C=C(C=C1)C=O)F)(O)O,"InChI=1S/C7H6BFO3/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-4,11-12H",OAEJODVYVOAOPH-UHFFFAOYSA-N,C7H6BFO3,167.93,168.0394024,,57.5,165,0,2,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRABROMOTEREPHTHALIC ACID,005411-70-1,224162,"2,3,5,6-tetrabromoterephthalic acid",C1(=C(C(=C(C(=C1Br)Br)C(=O)O)Br)Br)C(=O)O,"InChI=1S/C8H2Br4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)",PNXPXUDJXYVOFM-UHFFFAOYSA-N,C8H2Br4O4,481.71,481.66456,3.7,74.6,264,0,2,4,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-CHLORO-4-FLUOROBENZALDEHYDE,084194-36-5,145024,2-chloro-4-fluorobenzaldehyde,C1=CC(=C(C=C1F)Cl)C=O,InChI=1S/C7H4ClFO/c8-7-3-6(9)2-1-5(7)4-10/h1-4H,KMQWNQKESAHDKD-UHFFFAOYSA-N,C7H4ClFO,158.56,157.9934706,2.1,17.1,129,0,0,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,6-TRIHYDROXYBENZALDEHYDE",000487-70-7,68099,"2,4,6-trihydroxybenzaldehyde",C1=C(C=C(C(=C1O)C=O)O)O,"InChI=1S/C7H6O4/c8-3-5-6(10)1-4(9)2-7(5)11/h1-3,9-11H",BTQAJGSMXCDDAJ-UHFFFAOYSA-N,C7H6O4,154.12,154.0266087,0.9,77.8,135,0,3,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-FLUOROBENZYLIC ALCOHOL,000459-56-3,68022,(4-fluorophenyl)methanol,C1=CC(=CC=C1CO)F,"InChI=1S/C7H7FO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2",GEZMEIHVFSWOCA-UHFFFAOYSA-N,C7H7FO,126.13,126.048093,1.4,20.2,77,0,1,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DI-TERT-BUTYL-4-METHOXYPHENOL",000489-01-0,10269,"2,6-ditert-butyl-4-methoxyphenol",CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)OC,"InChI=1S/C15H24O2/c1-14(2,3)11-8-10(17-7)9-12(13(11)16)15(4,5)6/h8-9,16H,1-7H3",SLUKQUGVTITNSY-UHFFFAOYSA-N,C15H24O2,236.35,236.17763,4.9,29.5,223,0,1,2,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-[(1E)-3-METHOXY-3-OXOPROP-1-EN-1-YL]BENZOIC ACID,115974-97-5,10608330,4-[(E)-3-methoxy-3-oxoprop-1-enyl]benzoic acid,COC(=O)/C=C/C1=CC=C(C=C1)C(=O)O,"InChI=1S/C11H10O4/c1-15-10(12)7-4-8-2-5-9(6-3-8)11(13)14/h2-7H,1H3,(H,13,14)/b7-4+",WNQUXRWZRJWTBX-QPJJXVBHSA-N,C11H10O4,206.19,206.0579088,2.1,63.6,262,0,1,4,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-?(CARBOXYMETHYL)?-?N-?[(PHENYLMETHOXY)?CARBONYL]?-GLYCINE,017335-88-5,10107013,2-[carboxymethyl(phenylmethoxycarbonyl)amino]acetic acid,C1=CC=C(C=C1)COC(=O)N(CC(=O)O)CC(=O)O,"InChI=1S/C12H13NO6/c14-10(15)6-13(7-11(16)17)12(18)19-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,15)(H,16,17)",VOABBQIQCAKTIC-UHFFFAOYSA-N,C12H13NO6,267.23,267.0742871,0.8,104,321,0,2,6,7,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-(N-BOC-AMINOMETHYL)-4-(AMINOMETHYL)BENZENE,108468-00-4,3354775,tert-butyl N-[[4-(aminomethyl)phenyl]methyl]carbamate,CC(C)(C)OC(=O)NCC1=CC=C(C=C1)CN,"InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-9-11-6-4-10(8-14)5-7-11/h4-7H,8-9,14H2,1-3H3,(H,15,16)",NUANLVJLUYWSER-UHFFFAOYSA-N,C13H20N2O2,236.31,236.1524779,1.3,64.4,240,0,2,3,5,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BROMO-4-FLUOROBENZOIC ACID,001007-16-5,70509,3-bromo-4-fluorobenzoic acid,C1=CC(=C(C=C1C(=O)O)Br)F,"InChI=1S/C7H4BrFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)",ONELILMJNOWXSA-UHFFFAOYSA-N,C7H4BrFO2,219.01,217.93787,2.2,37.3,163,0,1,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(2,2,2-TRIFLUOROETHYL)BENZENE",021249-93-4,285373,"2,2,2-trifluoroethylbenzene",C1=CC=C(C=C1)CC(F)(F)F,"InChI=1S/C8H7F3/c9-8(10,11)6-7-4-2-1-3-5-7/h1-5H,6H2",AVSVJSGDSPDFLH-UHFFFAOYSA-N,C8H7F3,160.14,160.0499847,3.3,0,111,0,0,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,3-BENZENETRICARBOXYLIC ACID HYDRATE",732304-21-1,16219028,"benzene-1,2,3-tricarboxylic acid;hydrate",C1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)O.O,"InChI=1S/C9H6O6.H2O/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15;/h1-3H,(H,10,11)(H,12,13)(H,14,15);1H2",DYDNZUYNRZENMU-UHFFFAOYSA-N,C9H8O7,228.16,228.0270026,,113,275,0,4,7,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-PHENYLVINYLBORONIC ACID,014900-39-1,5003684,1-phenylethenylboronic acid,B(C(=C)C1=CC=CC=C1)(O)O,"InChI=1S/C8H9BO2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6,10-11H,1H2",YJCPVMYUISTDKG-UHFFFAOYSA-N,C8H9BO2,147.97,148.0695597,,40.5,139,0,2,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-HYDROXYBENZAMIDINE HYDROCHLORIDE,038148-63-9,217124,4-hydroxybenzenecarboximidamide;hydrochloride,C1=CC(=CC=C1C(=N)N)O.Cl,"InChI=1S/C7H8N2O.ClH/c8-7(9)5-1-3-6(10)4-2-5;/h1-4,10H,(H3,8,9);1H",VHVJRSVTZPYXEH-UHFFFAOYSA-N,C7H9ClN2O,172.61,172.0403406,,70.1,128,0,4,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHOXYBENZIMIDAMIDE HYDROCHLORIDE,051721-68-7,12326219,4-methoxybenzenecarboximidamide;hydrochloride,COC1=CC=C(C=C1)C(=N)N.Cl,"InChI=1S/C8H10N2O.ClH/c1-11-7-4-2-6(3-5-7)8(9)10;/h2-5H,1H3,(H3,9,10);1H",AJOSDIDPIBJFAI-UHFFFAOYSA-N,C8H11ClN2O,186.64,186.0559907,,59.1,139,0,3,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
[(METHYLSULFONYL)METHYL]BENZENE,003112-90-1,76562,methylsulfonylmethylbenzene,CS(=O)(=O)CC1=CC=CC=C1,"InChI=1S/C8H10O2S/c1-11(9,10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3",BEARMXYKACECDH-UHFFFAOYSA-N,C8H10O2S,170.23,170.0401507,0.8,42.5,195,0,0,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-(3-BROMO-4-FLUOROPHENYL)ETHAN-1-ONE,001007-15-4,70508,1-(3-bromo-4-fluorophenyl)ethanone,CC(=O)C1=CC(=C(C=C1)F)Br,"InChI=1S/C8H6BrFO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4H,1H3",SZDWTGAORQQQGY-UHFFFAOYSA-N,C8H6BrFO,217.03,215.95861,2.4,17.1,160,0,0,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZYL HYDROGEN SUCCINATE,000103-40-2,8788,4-oxo-4-phenylmethoxybutanoic acid,C1=CC=C(C=C1)COC(=O)CCC(=O)O,"InChI=1S/C11H12O4/c12-10(13)6-7-11(14)15-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)",UGUBQKZSNQWWEV-UHFFFAOYSA-N,C11H12O4,208.21,208.0735589,1.4,63.6,219,0,1,4,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(TERT-BUTOXYCARBONYL)BENZOIC ACID,020576-82-3,2760954,4-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid,CC(C)(C)OC(=O)C1=CC=C(C=C1)C(=O)O,"InChI=1S/C12H14O4/c1-12(2,3)16-11(15)9-6-4-8(5-7-9)10(13)14/h4-7H,1-3H3,(H,13,14)",ILBDCOLCHNVWNS-UHFFFAOYSA-N,C12H14O4,222.24,222.0892089,2.3,63.6,269,0,1,4,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PROP-2-YN-1-YL BENZOATE,006750-04-5,336291,prop-2-ynyl benzoate,C#CCOC(=O)C1=CC=CC=C1,"InChI=1S/C10H8O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h1,3-7H,8H2",NBDHEMWCIUHARG-UHFFFAOYSA-N,C10H8O2,160.17,160.0524295,1.9,26.3,193,0,0,2,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
((PROP-2-YN-1-YLOXY)METHYL)BENZENE,004039-82-1,6917484,prop-2-ynoxymethylbenzene,C#CCOCC1=CC=CC=C1,"InChI=1S/C10H10O/c1-2-8-11-9-10-6-4-3-5-7-10/h1,3-7H,8-9H2",PAQVEXAFKDWGOT-UHFFFAOYSA-N,C10H10O,146.19,146.0731649,2,9.2,136,0,0,1,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(2,3,5,6-2H4)TEREPHTHALIC ACID",060088-54-2,108885,"2,3,5,6-tetradeuterioterephthalic acid",[2H]C1=C(C(=C(C(=C1C(=O)O)[2H])[2H])C(=O)O)[2H],"InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)/i1D,2D,3D,4D",KKEYFWRCBNTPAC-RHQRLBAQSA-N,C8H6O4,170.15,170.0517157,2,74.6,169,0,2,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(TRIFLUOROMETHYLTHIO)PHENOL,000461-84-7,3815158,4-(trifluoromethylsulfanyl)phenol,C1=CC(=CC=C1O)SC(F)(F)F,"InChI=1S/C7H5F3OS/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H",YYCPTWHVKSATQK-UHFFFAOYSA-N,C7H5F3OS,194.18,194.0013204,3.3,45.5,140,0,1,5,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-M-TYROSINE,000587-33-7,6950578,(2S)-2-amino-3-(3-hydroxyphenyl)propanoic acid,C1=CC(=CC(=C1)O)C[C@@H](C(=O)O)N,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1",JZKXXXDKRQWDET-QMMMGPOBSA-N,C9H11NO3,181.19,181.0738932,-2.4,83.6,184,0,3,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-(ALLYLOXY)BENZALDEHYDE,040359-32-8,2716612,3-prop-2-enoxybenzaldehyde,C=CCOC1=CC=CC(=C1)C=O,"InChI=1S/C10H10O2/c1-2-6-12-10-5-3-4-9(7-10)8-11/h2-5,7-8H,1,6H2",SEDRQGRABDFZKO-UHFFFAOYSA-N,C10H10O2,162.18,162.0680796,2.5,26.3,154,0,0,2,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-HYDROXYBENZENE-1,3,5-TRICARBALDEHYDE",081502-74-1,2794902,"2-hydroxybenzene-1,3,5-tricarbaldehyde",C1=C(C=C(C(=C1C=O)O)C=O)C=O,"InChI=1S/C9H6O4/c10-3-6-1-7(4-11)9(13)8(2-6)5-12/h1-5,13H",HKAZHQGKWVMFHP-UHFFFAOYSA-N,C9H6O4,178.14,178.0266087,0.5,71.4,196,0,1,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
(P-TOLYLSULPHONYL)ACETONE,005366-49-4,79327,1-(4-methylphenyl)sulfonylpropan-2-one,CC1=CC=C(C=C1)S(=O)(=O)CC(=O)C,"InChI=1S/C10H12O3S/c1-8-3-5-10(6-4-8)14(12,13)7-9(2)11/h3-6H,7H2,1-2H3",NDQXJNHOGLQSMB-UHFFFAOYSA-N,C10H12O3S,212.27,212.0507154,1.3,59.6,292,0,0,3,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-BIS(TRIMETHYLSILY)BENZENE",013183-70-5,25771,trimethyl-(4-trimethylsilylphenyl)silane,C[Si](C)(C)C1=CC=C(C=C1)[Si](C)(C)C,"InChI=1S/C12H22Si2/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3",NVRBTKMAZQNKPX-UHFFFAOYSA-N,C12H22Si2,222.47,222.1260038,,0,155,0,0,0,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-BROMO-2-IODO-M-XYLENE(5-BROMO-2-IODO-1,3-XYLENE)",206559-43-5,2735573,"5-bromo-2-iodo-1,3-dimethylbenzene",CC1=CC(=CC(=C1I)C)Br,"InChI=1S/C8H8BrI/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3",BSIRLLZFIVAHES-UHFFFAOYSA-N,C8H8BrI,310.96,309.88541,4,0,104,0,0,0,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4,5-TRIHYDROXYBENZALDEHYDE(GALLIC ALDEHYDE)",013677-79-7,83651,"3,4,5-trihydroxybenzaldehyde",C1=C(C=C(C(=C1O)O)O)C=O,"InChI=1S/C7H6O4/c8-3-4-1-5(9)7(11)6(10)2-4/h1-3,9-11H",RGZHEOWNTDJLAQ-UHFFFAOYSA-N,C7H6O4,154.12,154.0266087,0.6,77.8,135,0,3,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-[(DICHLOROAMINO)SULFONYL]-",000080-13-7,3552,4-(dichlorosulfamoyl)benzoic acid,C1=CC(=CC=C1C(=O)O)S(=O)(=O)N(Cl)Cl,"InChI=1S/C7H5Cl2NO4S/c8-10(9)15(13,14)6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)",XPDVQPODLRGWPL-UHFFFAOYSA-N,C7H5Cl2NO4S,270.09,268.9316342,1.6,83.1,329,0,1,5,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, 2-METHYL-",000088-20-0,6925,2-methylbenzenesulfonic acid,CC1=CC=CC=C1S(=O)(=O)O,"InChI=1S/C7H8O3S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H,8,9,10)",LBLYYCQCTBFVLH-UHFFFAOYSA-N,C7H8O3S,172.2,172.0194153,1,62.8,214,0,1,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 3-AMINO-5-CHLORO-2-HYDROXY-",000088-23-3,6927,3-amino-5-chloro-2-hydroxybenzenesulfonic acid,C1=C(C=C(C(=C1N)O)S(=O)(=O)O)Cl,"InChI=1S/C6H6ClNO4S/c7-3-1-4(8)6(9)5(2-3)13(10,11)12/h1-2,9H,8H2,(H,10,11,12)",YCTAOQGPWNTYJE-UHFFFAOYSA-N,C6H6ClNO4S,223.63,222.9706065,0.8,109,275,0,3,5,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEMETHANOL, 3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXY-",000088-26-6,6929,"2,6-ditert-butyl-4-(hydroxymethyl)phenol",CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO,"InChI=1S/C15H24O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,16-17H,9H2,1-6H3",HNURKXXMYARGAY-UHFFFAOYSA-N,C15H24O2,236.35,236.17763,4,40.5,223,0,2,2,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 2,4-DIAMINO-",000088-63-1,66623,"2,4-diaminobenzenesulfonic acid",C1=CC(=C(C=C1N)N)S(=O)(=O)O,"InChI=1S/C6H8N2O3S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,7-8H2,(H,9,10,11)",JVMSQRAXNZPDHF-UHFFFAOYSA-N,C6H8N2O3S,188.21,188.0255633,-1,115,246,0,3,5,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"BENZENESULFONIC ACID, 4-(ACETYLAMINO)-2-AMINO-",000088-64-2,6939,4-acetamido-2-aminobenzenesulfonic acid,CC(=O)NC1=CC(=C(C=C1)S(=O)(=O)O)N,"InChI=1S/C8H10N2O4S/c1-5(11)10-6-2-3-8(7(9)4-6)15(12,13)14/h2-4H,9H2,1H3,(H,10,11)(H,12,13,14)",FOINSAWEWXUXPQ-UHFFFAOYSA-N,C8H10N2O4S,230.24,230.036128,-0.3,118,335,0,3,5,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETIC ACID, 2-CARBOXY-",000089-51-0,66643,2-(carboxymethyl)benzoic acid,C1=CC=C(C(=C1)CC(=O)O)C(=O)O,"InChI=1S/C9H8O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)",ZHQLTKAVLJKSKR-UHFFFAOYSA-N,C9H8O4,180.16,180.0422587,1.6,74.6,212,0,2,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 5-AMINO-2-CHLORO-",000089-54-3,37879,5-amino-2-chlorobenzoic acid,C1=CC(=C(C=C1N)C(=O)O)Cl,"InChI=1S/C7H6ClNO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,9H2,(H,10,11)",GVCFFVPEOLCYNN-UHFFFAOYSA-N,C7H6ClNO2,171.58,171.0087061,1.5,63.3,163,0,2,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 4-CHLORO-5-METHYL-2-(1-METHYLETHYL)-",000089-68-9,6982,4-chloro-5-methyl-2-propan-2-ylphenol,CC1=CC(=C(C=C1Cl)C(C)C)O,"InChI=1S/C10H13ClO/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,12H,1-3H3",KFZXVMNBUMVKLN-UHFFFAOYSA-N,C10H13ClO,184.66,184.0654927,3.9,20.2,147,0,1,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-METHYL-, METHYL ESTER",000089-71-4,33094,methyl 2-methylbenzoate,CC1=CC=CC=C1C(=O)OC,"InChI=1S/C9H10O2/c1-7-5-3-4-6-8(7)9(10)11-2/h3-6H,1-2H3",WVWZECQNFWFVFW-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,2.8,26.3,142,0,0,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEMETHANOL, .ALPHA.-(TRICHLOROMETHYL)-, ACETATE",000090-17-5,7007,"(2,2,2-trichloro-1-phenylethyl) acetate",CC(=O)OC(C1=CC=CC=C1)C(Cl)(Cl)Cl,"InChI=1S/C10H9Cl3O2/c1-7(14)15-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3",JKRWZLOCPLZZEI-UHFFFAOYSA-N,C10H9Cl3O2,267.5,265.966813,3.5,26.3,219,0,0,2,3,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEMETHANAMINE, 2,5-DIMETHYL-",000093-48-1,66735,"(2,5-dimethylphenyl)methanamine",CC1=CC(=C(C=C1)C)CN,"InChI=1S/C9H13N/c1-7-3-4-8(2)9(5-7)6-10/h3-5H,6,10H2,1-2H3",LUJNPFWZXIGIPS-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,1.5,26,101,0,1,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANOL, 2-(METHYLPHENYLAMINO)-",000093-90-3,62340,2-(N-methylanilino)ethanol,CN(CCO)C1=CC=CC=C1,"InChI=1S/C9H13NO/c1-10(7-8-11)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3",VIIZJXNVVJKISZ-UHFFFAOYSA-N,C9H13NO,151.21,151.099714,1.7,23.5,99,0,1,2,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-AMINO-, BUTYL ESTER",000094-25-7,2482,butyl 4-aminobenzoate,CCCCOC(=O)C1=CC=C(C=C1)N,"InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7H,2-3,8,12H2,1H3",IUWVALYLNVXWKX-UHFFFAOYSA-N,C11H15NO2,193.24,193.1102787,2.9,52.3,174,0,1,3,5,14,,"343 to 345 °F at 8 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"1,2-ETHANEDIOL, MONOBENZOATE",000094-33-7,66747,2-hydroxyethyl benzoate,C1=CC=C(C=C1)C(=O)OCCO,"InChI=1S/C9H10O3/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5,10H,6-7H2",LSWRBVSEWBWTDR-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.1,46.5,139,0,1,3,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2-ETHOXY-5-(1-PROPENYL)-",000094-86-0,5354280,2-ethoxy-5-[(E)-prop-1-enyl]phenol,CCOC1=C(C=C(C=C1)/C=C/C)O,"InChI=1S/C11H14O2/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8,12H,4H2,1-2H3/b5-3+",RADIRXJQODWKGQ-HWKANZROSA-N,C11H14O2,178.23,178.0993797,2.9,29.5,165,0,1,2,3,13,,312.00 to 313.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 3-AMINO-2-HYDROXY-5-NITRO-",000096-67-3,4312530,3-amino-2-hydroxy-5-nitrobenzenesulfonic acid,C1=C(C=C(C(=C1N)O)S(=O)(=O)O)[N+](=O)[O-],"InChI=1S/C6H6N2O6S/c7-4-1-3(8(10)11)2-5(6(4)9)15(12,13)14/h1-2,9H,7H2,(H,12,13,14)",DQIVFTJHYKDOMZ-UHFFFAOYSA-N,C6H6N2O6S,234.19,233.9946571,0,155,344,0,3,7,1,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"BENZOIC ACID, 4-CHLORO-3-NITRO-",000096-99-1,7320,4-chloro-3-nitrobenzoic acid,C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Cl,"InChI=1S/C7H4ClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)",DFXQXFGFOLXAPO-UHFFFAOYSA-N,C7H4ClNO4,201.56,200.9828853,1.8,83.1,227,0,1,4,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-CHLORO-2,4-DIMETHOXYANILINE.",000097-50-7,66807,"5-chloro-2,4-dimethoxyaniline",COC1=CC(=C(C=C1N)Cl)OC,"InChI=1S/C8H10ClNO2/c1-11-7-4-8(12-2)6(10)3-5(7)9/h3-4H,10H2,1-2H3",OLCMNCWEUMBNIS-UHFFFAOYSA-N,C8H10ClNO2,187.62,187.0400063,1.8,44.5,145,0,1,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONAMIDE, 3-AMINO-",000098-18-0,7377,3-aminobenzenesulfonamide,C1=CC(=CC(=C1)S(=O)(=O)N)N,"InChI=1S/C6H8N2O2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)",JPVKCHIPRSQDKL-UHFFFAOYSA-N,C6H8N2O2S,172.21,172.0306487,-0.4,94.6,219,0,2,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-(1,1-DIMETHYLETHYL)-3,5-DIMETHYLBENZENE",000098-19-1,7378,"1-tert-butyl-3,5-dimethylbenzene",CC1=CC(=CC(=C1)C(C)(C)C)C,"InChI=1S/C12H18/c1-9-6-10(2)8-11(7-9)12(3,4)5/h6-8H,1-5H3",FZSPYHREEHYLCB-UHFFFAOYSA-N,C12H18,162.27,162.1408506,4.3,0,131,0,0,0,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONAMIDE, 3-AMINO-4-HYDROXY-",000098-32-8,66814,3-amino-4-hydroxybenzenesulfonamide,C1=CC(=C(C=C1S(=O)(=O)N)N)O,"InChI=1S/C6H8N2O3S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3,9H,7H2,(H2,8,10,11)",AVQFHKYAVVQYQO-UHFFFAOYSA-N,C6H8N2O3S,188.21,188.0255633,-0.3,115,246,0,3,5,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-BENZENEDISULFONIC ACID, 2-AMINO-",000098-44-2,60988,"2-aminobenzene-1,4-disulfonic acid",C1=CC(=C(C=C1S(=O)(=O)O)N)S(=O)(=O)O,"InChI=1S/C6H7NO6S2/c7-5-3-4(14(8,9)10)1-2-6(5)15(11,12)13/h1-3H,7H2,(H,8,9,10)(H,11,12,13)",LDCCBULMAFILCT-UHFFFAOYSA-N,C6H7NO6S2,253.3,252.9714793,-0.2,152,416,0,3,7,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONAMIDE, 4-CHLORO-",000098-64-6,66824,4-chlorobenzenesulfonamide,C1=CC(=CC=C1S(=O)(=O)N)Cl,"InChI=1S/C6H6ClNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)",HHHDJHHNEURCNV-UHFFFAOYSA-N,C6H6ClNO2S,191.64,190.9807773,1.2,68.5,213,0,1,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 3-(DIMETHYLAMINO)-",000099-07-0,7421,3-(dimethylamino)phenol,CN(C)C1=CC(=CC=C1)O,"InChI=1S/C8H11NO/c1-9(2)7-4-3-5-8(10)6-7/h3-6,10H,1-2H3",MESJRHHDBDCQTH-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,1.6,23.5,103,0,1,2,1,10,,"509 to 514 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BENZENEDICARBOXYLIC ACID, 5-AMINO-, DIMETHYL ESTER",000099-27-4,66831,"dimethyl 5-aminobenzene-1,3-dicarboxylate",COC(=O)C1=CC(=CC(=C1)N)C(=O)OC,"InChI=1S/C10H11NO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,11H2,1-2H3",DEKPYXUDJRABNK-UHFFFAOYSA-N,C10H11NO4,209.2,209.0688078,0.9,78.6,230,0,1,5,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-HYDROXY-3-NITRO-, METHYL ESTER",000099-42-3,66835,methyl 4-hydroxy-3-nitrobenzoate,COC(=O)C1=CC(=C(C=C1)O)[N+](=O)[O-],"InChI=1S/C8H7NO5/c1-14-8(11)5-2-3-7(10)6(4-5)9(12)13/h2-4,10H,1H3",GNCWCTBHZCBXGL-UHFFFAOYSA-N,C8H7NO5,197.14,197.0324223,1.7,92.4,236,0,1,5,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-HEPTANOL, 2-(PHENYLMETHYLENE)-",000101-85-9,6076971,(2Z)-2-benzylideneheptan-1-ol,CCCCC/C(=C/C1=CC=CC=C1)/CO,"InChI=1S/C14H20O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11,15H,2-3,5,10,12H2,1H3/b14-11-",LIPHCKNQPJXUQF-KAMYIIQDSA-N,C14H20O,204.31,204.1514153,4.4,20.2,178,0,1,1,6,15,,141.00 to 143.00 °C. @ 5.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"CARBAMIC ACID, PHENYL-, ETHYL ESTER",000101-99-5,7591,ethyl N-phenylcarbamate,CCOC(=O)NC1=CC=CC=C1,"InChI=1S/C9H11NO2/c1-2-12-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)",LBKPGNUOUPTQKA-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,2.3,38.3,141,0,1,2,3,12,,238 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 4-METHOXY-2-METHYL-",000102-50-1,7610,4-methoxy-2-methylaniline,CC1=C(C=CC(=C1)OC)N,"InChI=1S/C8H11NO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,9H2,1-2H3",CDGNLUSBENXDGG-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,1.2,35.3,105,0,1,2,1,10,"greater than 230 °F (NTP, 1992)","478 to 480 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEMETHANAMINE, N-(1-METHYLETHYL)-",000102-97-6,66024,N-benzylpropan-2-amine,CC(C)NCC1=CC=CC=C1,"InChI=1S/C10H15N/c1-9(2)11-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3",LYBKPDDZTNUNNM-UHFFFAOYSA-N,C10H15N,149.23,149.1204495,2.3,12,93,0,1,1,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, [(PHENYLMETHYL)THIO]-",000103-46-8,66897,2-benzylsulfanylacetic acid,C1=CC=C(C=C1)CSCC(=O)O,"InChI=1S/C9H10O2S/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)",AWLVTQRRKPBQEQ-UHFFFAOYSA-N,C9H10O2S,182.24,182.0401507,2.1,62.6,141,0,1,3,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, [(4-NITROPHENYL)AMINO]OXO-",000103-94-6,7686,2-(4-nitroanilino)-2-oxoacetic acid,C1=CC(=CC=C1NC(=O)C(=O)O)[N+](=O)[O-],"InChI=1S/C8H6N2O5/c11-7(8(12)13)9-5-1-3-6(4-2-5)10(14)15/h1-4H,(H,9,11)(H,12,13)",ZEJKSYPGUAUQKW-UHFFFAOYSA-N,C8H6N2O5,210.14,210.0276713,1.6,112,277,0,2,5,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEMETHANOL, 4-METHOXY-, ACETATE",000104-21-2,7695,(4-methoxyphenyl)methyl acetate,CC(=O)OCC1=CC=C(C=C1)OC,"InChI=1S/C10H12O3/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3",HFNGYHHRRMSKEU-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,1.9,35.5,160,0,0,3,4,13,,137.00 °C. @ 12.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOIC ACID, 4-CHLORO-3,5-DINITRO-",000118-97-8,8377,"4-chloro-3,5-dinitrobenzoic acid",C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)O,"InChI=1S/C7H3ClN2O6/c8-6-4(9(13)14)1-3(7(11)12)2-5(6)10(15)16/h1-2H,(H,11,12)",PCTFIHOVQYYAMH-UHFFFAOYSA-N,C7H3ClN2O6,246.56,245.9679635,2.5,129,300,0,1,6,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BENZENEDICARBOXYLIC ACID, DECYL OCTYL ESTER",000119-07-3,8380,"2-O-decyl 1-O-octyl benzene-1,2-dicarboxylate",CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC,"InChI=1S/C26H42O4/c1-3-5-7-9-11-12-14-18-22-30-26(28)24-20-16-15-19-23(24)25(27)29-21-17-13-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3",LVAGMBHLXLZJKZ-UHFFFAOYSA-N,C26H42O4,418.6,418.3083098,10.1,52.6,435,0,0,4,20,30,"455 °F (NTP, 1992)","462 °F at 4 mmHg (NTP, 1992)",0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
"BENZOIC ACID, 2-(ETHYLAMINO)-5-SULFO-",000119-22-2,67063,2-(ethylamino)-5-sulfobenzoic acid,CCNC1=C(C=C(C=C1)S(=O)(=O)O)C(=O)O,"InChI=1S/C9H11NO5S/c1-2-10-8-4-3-6(16(13,14)15)5-7(8)9(11)12/h3-5,10H,2H2,1H3,(H,11,12)(H,13,14,15)",WXUAZZARGUDIHU-UHFFFAOYSA-N,C9H11NO5S,245.25,245.0357936,1.1,112,347,0,3,6,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1,4-DIETHOXY-2-NITRO-",000119-23-3,67064,"1,4-diethoxy-2-nitrobenzene",CCOC1=CC(=C(C=C1)OCC)[N+](=O)[O-],"InChI=1S/C10H13NO4/c1-3-14-8-5-6-10(15-4-2)9(7-8)11(12)13/h5-7H,3-4H2,1-2H3",AUCRWWWSFGZHBK-UHFFFAOYSA-N,C10H13NO4,211.21,211.0844579,2.8,64.3,204,0,0,4,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-(4-AMINOPHENYL)-N-METHYL-",000119-63-1,67068,N-(4-aminophenyl)-N-methylacetamide,CC(=O)N(C)C1=CC=C(C=C1)N,"InChI=1S/C9H12N2O/c1-7(12)11(2)9-5-3-8(10)4-6-9/h3-6H,10H2,1-2H3",QFELUFGHFLYZEZ-UHFFFAOYSA-N,C9H12N2O,164.2,164.094963,0.3,46.3,162,0,1,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 3-(ETHYLAMINO)-4-METHYL-",000120-37-6,8428,3-(ethylamino)-4-methylphenol,CCNC1=C(C=CC(=C1)O)C,"InChI=1S/C9H13NO/c1-3-10-9-6-8(11)5-4-7(9)2/h4-6,10-11H,3H2,1-2H3",CTGSQPRDMHCIMM-UHFFFAOYSA-N,C9H13NO,151.21,151.099714,2.3,32.3,116,0,2,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DICHLORPHENAMIDE,000120-97-8,3038,"4,5-dichlorobenzene-1,3-disulfonamide",C1=C(C=C(C(=C1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N,"InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)",GJQPMPFPNINLKP-UHFFFAOYSA-N,C6H6Cl2N2O4S2,305.2,303.9146044,0.3,137,452,0,2,6,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
"1,3-BENZENEDISULFONAMIDE, 4-AMINO-6-CHLORO-",000121-30-2,67136,"4-amino-6-chlorobenzene-1,3-disulfonamide",C1=C(C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N)N,"InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)",IHJCXVZDYSXXFT-UHFFFAOYSA-N,C6H8ClN3O4S2,285.7,284.9644758,-0.5,163,451,0,3,7,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"ACETAMIDE, N-(3-NITROPHENYL)-",000122-28-1,31206,N-(3-nitrophenyl)acetamide,CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-],"InChI=1S/C8H8N2O3/c1-6(11)9-7-3-2-4-8(5-7)10(12)13/h2-5H,1H3,(H,9,11)",KFTYNYHJHKCRKU-UHFFFAOYSA-N,C8H8N2O3,180.16,180.0534921,1.5,74.9,212,0,1,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"BENZENEACETIC ACID, BUTYL ESTER",000122-43-0,31210,butyl 2-phenylacetate,CCCCOC(=O)CC1=CC=CC=C1,"InChI=1S/C12H16O2/c1-2-3-9-14-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3",LDOXTQYWWYXYSQ-UHFFFAOYSA-N,C12H16O2,192.25,192.1150297,3.2,26.3,160,0,0,2,6,14,,133.00 to 135.00 °C. @ 15.00 mm Hg,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEPROPANOL, PROPANOATE",000122-74-7,61052,3-phenylpropyl propanoate,CCC(=O)OCCCC1=CC=CC=C1,"InChI=1S/C12H16O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3",GTNCESCYZPMXCJ-UHFFFAOYSA-N,C12H16O2,192.25,192.1150297,3,26.3,160,0,0,2,6,14,,279.00 to 280.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-AMINO-2-HYDROXY-, MONOPOTASSIUM SALT",000133-09-5,23690428,potassium 4-amino-2-hydroxybenzoate,C1=CC(=C(C=C1N)O)C(=O)[O-].[K+],"InChI=1S/C7H7NO3.K/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3,9H,8H2,(H,10,11);/q;+1/p-1",PRZJIMSXCLZGLT-UHFFFAOYSA-M,C7H6KNO3,191.23,190.9984745,,86.4,165,0,2,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-AMINO-, MONOPOTASSIUM SALT",000138-84-1,23663628,potassium 4-aminobenzoate,C1=CC(=CC=C1C(=O)[O-])N.[K+],"InChI=1S/C7H7NO2.K/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,8H2,(H,9,10);/q;+1/p-1",MZKKJVZIFIQOPP-UHFFFAOYSA-M,C7H6KNO2,175.23,175.0035599,,66.2,132,0,1,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, CHLORO-, PHENYLMETHYL ESTER",000140-18-1,8786,benzyl 2-chloroacetate,C1=CC=C(C=C1)COC(=O)CCl,"InChI=1S/C9H9ClO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7H2",SOGXBRHOWDEKQB-UHFFFAOYSA-N,C9H9ClO2,184.62,184.0291072,2.6,26.3,141,0,0,2,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-[4-(CHLOROACETYL)PHENYL]-",000140-49-8,8805,N-[4-(2-chloroacetyl)phenyl]acetamide,CC(=O)NC1=CC=C(C=C1)C(=O)CCl,"InChI=1S/C10H10ClNO2/c1-7(13)12-9-4-2-8(3-5-9)10(14)6-11/h2-5H,6H2,1H3,(H,12,13)",VMMDOCYDNRLESP-UHFFFAOYSA-N,C10H10ClNO2,211.64,211.0400063,1.9,46.2,222,0,1,2,3,14,"230 °F (NTP, 1992)","Decomposes (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEDIAZONIUM, 4-SULFO-, INNER SALT",000305-80-6,67539,4-diazoniobenzenesulfonate,C1=CC(=CC=C1[N+]#N)S(=O)(=O)[O-],"InChI=1S/C6H4N2O3S/c7-8-5-1-3-6(4-2-5)12(9,10)11/h1-4H",UEUIKXVPXLWUDU-UHFFFAOYSA-N,C6H4N2O3S,184.17,183.9942632,1.2,93.7,275,0,0,4,0,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(4-CHLOROPHENYL)-2,2,2-TRIFLUORO-",000321-37-9,67578,"1-(4-chlorophenyl)-2,2,2-trifluoroethanone",C1=CC(=CC=C1C(=O)C(F)(F)F)Cl,"InChI=1S/C8H4ClF3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H",DYPQUENOGZXOGE-UHFFFAOYSA-N,C8H4ClF3O,208.56,207.9902769,2.8,17.1,194,0,0,4,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEMETHANOL, .ALPHA.-[1-(METHYLAMINO)ETHYL]-, [S-(R*,S*)]-",000321-98-2,9457,"(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol",C[C@H]([C@H](C1=CC=CC=C1)O)NC,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m1/s1",KWGRBVOPPLSCSI-PSASIEDQSA-N,C10H15NO,165.23,165.1153641,0.9,32.3,121,0,2,2,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOYL FLUORIDE, 3-(TRIFLUOROMETHYL)-",000328-99-4,67606,3-(trifluoromethyl)benzoyl fluoride,C1=CC(=CC(=C1)C(F)(F)F)C(=O)F,"InChI=1S/C8H4F4O/c9-7(13)5-2-1-3-6(4-5)8(10,11)12/h1-4H",LTHOSILCKUBBIS-UHFFFAOYSA-N,C8H4F4O,192.11,192.0198274,3.4,17.1,199,0,0,5,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONAMIDE, 4-AMINO-N-[(BUTYLAMINO)CARBONYL]-",000339-43-5,9564,1-(4-aminophenyl)sulfonyl-3-butylurea,CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)N,"InChI=1S/C11H17N3O3S/c1-2-3-8-13-11(15)14-18(16,17)10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H2,13,14,15)",VDTNNGKXZGSZIP-UHFFFAOYSA-N,C11H17N3O3S,271.34,271.0990626,1,110,356,0,3,4,5,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, chloropentafluoro-",000344-07-0,9579,"1-chloro-2,3,4,5,6-pentafluorobenzene",C1(=C(C(=C(C(=C1F)F)Cl)F)F)F,InChI=1S/C6ClF5/c7-1-2(8)4(10)6(12)5(11)3(1)9,KGCDGLXSBHJAHZ-UHFFFAOYSA-N,C6ClF5,202.51,201.9608685,3.1,0,150,0,0,5,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-FLUORO-4-IODO-",000352-34-1,9605,1-fluoro-4-iodobenzene,C1=CC(=CC=C1F)I,InChI=1S/C6H4FI/c7-5-1-3-6(8)4-2-5/h1-4H,KGNQDBQYEBMPFZ-UHFFFAOYSA-N,C6H4FI,222,221.93418,3.4,0,66,0,0,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-FLUORO-, METHYL ESTER",000394-35-4,67854,methyl 2-fluorobenzoate,COC(=O)C1=CC=CC=C1F,"InChI=1S/C8H7FO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3",QAFJIJWLEBLXHH-UHFFFAOYSA-N,C8H7FO2,154.14,154.0430076,1.8,26.3,147,0,0,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2-NITRO-4-(TRIFLUOROMETHYL)-",000400-99-7,9816,2-nitro-4-(trifluoromethyl)phenol,C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])O,"InChI=1S/C7H4F3NO3/c8-7(9,10)4-1-2-6(12)5(3-4)11(13)14/h1-3,12H",XZEDEVRSUANQEM-UHFFFAOYSA-N,C7H4F3NO3,207.11,207.0143275,2.3,66.1,225,0,1,6,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-FLUORO-, ETHYL ESTER",000443-26-5,67953,ethyl 2-fluorobenzoate,CCOC(=O)C1=CC=CC=C1F,"InChI=1S/C9H9FO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3",RUWPGPOBTHOLHF-UHFFFAOYSA-N,C9H9FO2,168.16,168.0586577,2.2,26.3,159,0,0,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-FLUORO-, ETHYL ESTER",000451-46-7,67976,ethyl 4-fluorobenzoate,CCOC(=O)C1=CC=C(C=C1)F,"InChI=1S/C9H9FO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3",UMPRJGKLMUDRHL-UHFFFAOYSA-N,C9H9FO2,168.16,168.0586577,2.9,26.3,151,0,0,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-FLUORO-2-(TRICHLOROMETHYL)-",000488-98-2,68104,1-fluoro-2-(trichloromethyl)benzene,C1=CC=C(C(=C1)C(Cl)(Cl)Cl)F,"InChI=1S/C7H4Cl3F/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H",JYLVSNNSOWDQQX-UHFFFAOYSA-N,C7H4Cl3F,213.5,211.936261,3.6,0,132,0,0,1,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, 3-ETHOXY-2-HYDROXY-",000492-88-6,68117,3-ethoxy-2-hydroxybenzaldehyde,CCOC1=CC=CC(=C1O)C=O,"InChI=1S/C9H10O3/c1-2-12-8-5-3-4-7(6-10)9(8)11/h3-6,11H,2H2,1H3",OFQBYHLLIJGMNP-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.7,46.5,147,0,1,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-METHYL-",000515-30-0,1303,2-hydroxy-2-phenylpropanoic acid,CC(C1=CC=CC=C1)(C(=O)O)O,"InChI=1S/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)",NWCHELUCVWSRRS-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1,57.5,173,0,2,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-(2-CHLOROPHENYL)-",000533-17-5,10777,N-(2-chlorophenyl)acetamide,CC(=O)NC1=CC=CC=C1Cl,"InChI=1S/C8H8ClNO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11)",KNVQTRVKSOEHPU-UHFFFAOYSA-N,C8H8ClNO,169.61,169.0294416,1.3,29.1,149,0,1,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 3-PHENYL-, BUTYL ESTER",000538-65-8,5273465,butyl (E)-3-phenylprop-2-enoate,CCCCOC(=O)/C=C/C1=CC=CC=C1,"InChI=1S/C13H16O2/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3/b10-9+",OHHIVLJVBNCSHV-MDZDMXLPSA-N,C13H16O2,204.26,204.1150297,3.9,26.3,203,0,0,2,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"CARBAMIMIDOTHIOIC ACID, (4-CHLOROPHENYL)METHYL ESTER, MONOHYDROCHLORIDE",000544-47-8,68342,(4-chlorophenyl)methyl carbamimidothioate;hydrochloride,C1=CC(=CC=C1CSC(=N)N)Cl.Cl,"InChI=1S/C8H9ClN2S.ClH/c9-7-3-1-6(2-4-7)5-12-8(10)11;/h1-4H,5H2,(H3,10,11);1H",QAVHMIYSTFZJAU-UHFFFAOYSA-N,C8H10Cl2N2S,237.15,235.9941749,,75.2,155,0,3,2,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-(2-NITROPHENYL)-",000552-32-9,11090,N-(2-nitrophenyl)acetamide,CC(=O)NC1=CC=CC=C1[N+](=O)[O-],"InChI=1S/C8H8N2O3/c1-6(11)9-7-4-2-3-5-8(7)10(12)13/h2-5H,1H3,(H,9,11)",BUNFNRVLMKHKIT-UHFFFAOYSA-N,C8H8N2O3,180.16,180.0534921,1,74.9,212,0,1,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM ANTHRANILATE,000552-37-4,23674494,sodium 2-aminobenzoate,C1=CC=C(C(=C1)C(=O)[O-])N.[Na+],"InChI=1S/C7H7NO2.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4H,8H2,(H,9,10);/q;+1/p-1",HCKKSLZDSNNSTL-UHFFFAOYSA-M,C7H6NNaO2,159.12,159.0296227,,66.2,140,0,1,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
METHYLEPHEDRINE,000552-79-4,64782,"(1R,2S)-2-(dimethylamino)-1-phenylpropan-1-ol",C[C@@H]([C@@H](C1=CC=CC=C1)O)N(C)C,"InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3/t9-,11-/m0/s1",FMCGSUUBYTWNDP-ONGXEEELSA-N,C11H17NO,179.26,179.1310142,1.7,23.5,141,0,1,2,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-(ACETYLAMINO)-",000556-08-1,19266,4-acetamidobenzoic acid,CC(=O)NC1=CC=C(C=C1)C(=O)O,"InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)",QCXJEYYXVJIFCE-UHFFFAOYSA-N,C9H9NO3,179.17,179.0582431,1.3,66.4,207,0,2,3,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"m-Xylene, 5-chloro-",000556-97-8,32887,"1-chloro-3,5-dimethylbenzene",CC1=CC(=CC(=C1)Cl)C,"InChI=1S/C8H9Cl/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3",FKKLHLZFSZGXBN-UHFFFAOYSA-N,C8H9Cl,140.61,140.039278,3.3,0,80,0,0,0,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2,4,6-TRIMETHOXY-",000570-02-5,68441,"2,4,6-trimethoxybenzoic acid",COC1=CC(=C(C(=C1)OC)C(=O)O)OC,"InChI=1S/C10H12O5/c1-13-6-4-7(14-2)9(10(11)12)8(5-6)15-3/h4-5H,1-3H3,(H,11,12)",JATAKEDDMQNPOQ-UHFFFAOYSA-N,C10H12O5,212.2,212.0684735,0.6,65,204,0,1,5,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2,3,4,5-TETRABROMO-6-METHYL-",000576-55-6,11336,"2,3,4,5-tetrabromo-6-methylphenol",CC1=C(C(=C(C(=C1Br)Br)Br)Br)O,"InChI=1S/C7H4Br4O/c1-2-3(8)4(9)5(10)6(11)7(2)12/h12H,1H3",GGIDUULRWQOXLR-UHFFFAOYSA-N,C7H4Br4O,423.72,423.69547,4.7,20.2,165,0,1,1,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, (3-BROMOPROPOXY)-",000588-63-6,68522,3-bromopropoxybenzene,C1=CC=C(C=C1)OCCCBr,"InChI=1S/C9H11BrO/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2",NIDWUZTTXGJFNN-UHFFFAOYSA-N,C9H11BrO,215.09,213.99933,3.4,9.2,89,0,0,1,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,2-BENZENEDICARBOXYLIC ACID, BIS(1-METHYLETHYL) ESTER",000605-45-8,11799,"dipropan-2-yl benzene-1,2-dicarboxylate",CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)C,"InChI=1S/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3",QWDBCIAVABMJPP-UHFFFAOYSA-N,C14H18O4,250.29,250.1205091,2.8,52.6,266,0,0,4,6,18,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-AMINO-3,5-DIBROMO-, METHYL ESTER",000606-00-8,69069,"methyl 2-amino-3,5-dibromobenzoate",COC(=O)C1=C(C(=CC(=C1)Br)Br)N,"InChI=1S/C8H7Br2NO2/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3H,11H2,1H3",NGXVMFCGYYHEGC-UHFFFAOYSA-N,C8H7Br2NO2,308.95,308.8823,3,52.3,201,0,1,3,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-METHOXY-, METHYL ESTER",000606-45-1,61151,methyl 2-methoxybenzoate,COC1=CC=CC=C1C(=O)OC,"InChI=1S/C9H10O3/c1-11-8-6-4-3-5-7(8)9(10)12-2/h3-6H,1-2H3",PFYHAAAQPNMZHO-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,2,35.5,156,0,0,3,3,12,,254.00 to 255.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 4-AMINO-2,6-DIBROMO-",000609-21-2,69107,"4-amino-2,6-dibromophenol",C1=C(C=C(C(=C1Br)O)Br)N,"InChI=1S/C6H5Br2NO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H,9H2",HFYPXERYZGFDBD-UHFFFAOYSA-N,C6H5Br2NO,266.92,266.87174,3.1,46.3,110,0,2,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BENZENEDICARBOXYLIC ACID, 4-HYDROXY-",000610-35-5,11881,4-hydroxyphthalic acid,C1=CC(=C(C=C1O)C(=O)O)C(=O)O,"InChI=1S/C8H6O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H,(H,10,11)(H,12,13)",MWRVRCAFWBBXTL-UHFFFAOYSA-N,C8H6O5,182.13,182.0215233,1,94.8,225,0,3,5,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-[(CARBOXYMETHYL)AMINO]-",000612-42-0,69161,2-(carboxymethylamino)benzoic acid,C1=CC=C(C(=C1)C(=O)O)NCC(=O)O,"InChI=1S/C9H9NO4/c11-8(12)5-10-7-4-2-1-3-6(7)9(13)14/h1-4,10H,5H2,(H,11,12)(H,13,14)",PJUXPMVQAZLJEX-UHFFFAOYSA-N,C9H9NO4,195.17,195.0531578,1.7,86.6,229,0,3,5,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, 2-ETHOXY-",000613-69-4,11950,2-ethoxybenzaldehyde,CCOC1=CC=CC=C1C=O,"InChI=1S/C9H10O2/c1-2-11-9-6-4-3-5-8(9)7-10/h3-7H,2H2,1H3",DUVJMSPTZMCSTQ-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,2.1,26.3,123,0,0,2,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2-METHOXY-, ACETATE",000613-70-7,61155,(2-methoxyphenyl) acetate,CC(=O)OC1=CC=CC=C1OC,"InChI=1S/C9H10O3/c1-7(10)12-9-6-4-3-5-8(9)11-2/h3-6H,1-2H3",BHJHPYFAYGAPLS-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.4,35.5,156,0,0,3,3,12,,122.00 to 124.00 °C. @ 18.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ACETAMIDE, N-(2-BROMO-4-METHYLPHENYL)-",000614-83-5,69200,N-(2-bromo-4-methylphenyl)acetamide,CC1=CC(=C(C=C1)NC(=O)C)Br,"InChI=1S/C9H10BrNO/c1-6-3-4-9(8(10)5-6)11-7(2)12/h3-5H,1-2H3,(H,11,12)",UUDGTWKIIUEVJD-UHFFFAOYSA-N,C9H10BrNO,228.09,226.99458,1.8,29.1,172,0,1,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOIC ACID, 2-AMINO-5-NITRO-",000616-79-5,12032,2-amino-5-nitrobenzoic acid,C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)N,"InChI=1S/C7H6N2O4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,8H2,(H,10,11)",RUCHWTKMOWXHLU-UHFFFAOYSA-N,C7H6N2O4,182.13,182.0327567,1.9,109,225,0,2,5,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-HYDROXY-3,5-DIIODO-",000618-76-8,12065,"4-hydroxy-3,5-diiodobenzoic acid",C1=C(C=C(C(=C1I)O)I)C(=O)O,"InChI=1S/C7H4I2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)",XREKTVACBXQCSB-UHFFFAOYSA-N,C7H4I2O3,389.91,389.82499,1.8,57.5,173,0,2,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 3-(4-NITROPHENYL)-",000619-89-6,737157,(E)-3-(4-nitrophenyl)prop-2-enoic acid,C1=CC(=CC=C1/C=C/C(=O)O)[N+](=O)[O-],"InChI=1S/C9H7NO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)/b6-3+",XMMRNCHTDONGRJ-ZZXKWVIFSA-N,C9H7NO4,193.16,193.0375077,2.1,83.1,248,0,1,4,2,14,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"METHANAMINE, N-(PHENYLMETHYLENE)-",000622-29-7,73954,N-methyl-1-phenylmethanimine,CN=CC1=CC=CC=C1,"InChI=1S/C8H9N/c1-9-7-8-5-3-2-4-6-8/h2-7H,1H3",HXTGGPKOEKKUQO-UHFFFAOYSA-N,C8H9N,119.16,119.0734993,1.6,12.4,90,0,0,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-(4-IODOPHENYL)-",000622-50-4,12147,N-(4-iodophenyl)acetamide,CC(=O)NC1=CC=C(C=C1)I,"InChI=1S/C8H8INO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)",SIULLDWIXYYVCU-UHFFFAOYSA-N,C8H8INO,261.06,260.96506,2.7,29.1,141,0,1,1,1,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHENOL, 4-ETHOXY-",000622-62-8,12150,4-ethoxyphenol,CCOC1=CC=C(C=C1)O,"InChI=1S/C8H10O2/c1-2-10-8-5-3-7(9)4-6-8/h3-6,9H,2H2,1H3",LKVFCSWBKOVHAH-UHFFFAOYSA-N,C8H10O2,138.16,138.0680796,1.8,29.5,85,0,1,2,2,10,,246.00 to 247.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, PROPOXY-",000622-85-5,12155,propoxybenzene,CCCOC1=CC=CC=C1,"InChI=1S/C9H12O/c1-2-8-10-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",DSNYFFJTZPIKFZ-UHFFFAOYSA-N,C9H12O,136.19,136.088815,3.2,9.2,74,0,0,1,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, (2-CHLOROETHOXY)-",000622-86-6,12156,2-chloroethoxybenzene,C1=CC=C(C=C1)OCCCl,"InChI=1S/C8H9ClO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2",VQUYNUJARXBNPK-UHFFFAOYSA-N,C8H9ClO,156.61,156.0341926,2.4,9.2,79,0,0,1,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BENZENEDICARBOXYLIC ACID, 3,4,5,6-TETRACHLORO-",000632-58-6,12442,"3,4,5,6-tetrachlorophthalic acid",C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)O)C(=O)O,"InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16)",WZHHYIOUKQNLQM-UHFFFAOYSA-N,C8H2Cl4O4,303.9,303.867769,3.5,74.6,280,0,2,4,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-AMINO-5-CHLORO-",000635-21-2,12476,2-amino-5-chlorobenzoic acid,C1=CC(=C(C=C1Cl)C(=O)O)N,"InChI=1S/C7H6ClNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)",IFXKXCLVKQVVDI-UHFFFAOYSA-N,C7H6ClNO2,171.58,171.0087061,1.6,63.3,163,0,2,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANEDIOIC ACID, PHENYL-",000635-51-8,95459,2-phenylbutanedioic acid,C1=CC=C(C=C1)C(CC(=O)O)C(=O)O,"InChI=1S/C10H10O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)",LVFFZQQWIZURIO-UHFFFAOYSA-N,C10H10O4,194.18,194.0579088,0.9,74.6,218,0,2,4,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-(CARBOXYMETHOXY)-",000635-53-0,69461,2-(carboxymethoxy)benzoic acid,C1=CC=C(C(=C1)C(=O)O)OCC(=O)O,"InChI=1S/C9H8O5/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)",JLLXSRLEXBECPY-UHFFFAOYSA-N,C9H8O5,196.16,196.0371734,1.2,83.8,225,0,2,5,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-NITRO-, HYDRAZIDE",000636-97-5,3693744,4-nitrobenzohydrazide,C1=CC(=CC=C1C(=O)NN)[N+](=O)[O-],"InChI=1S/C7H7N3O3/c8-9-7(11)5-1-3-6(4-2-5)10(12)13/h1-4H,8H2,(H,9,11)",FKZXYJYTUSGIQE-UHFFFAOYSA-N,C7H7N3O3,181.15,181.0487411,0.3,101,206,0,2,4,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, TRIFLUORO-, 4-NITROPHENYL ESTER",000658-78-6,69569,"(4-nitrophenyl) 2,2,2-trifluoroacetate",C1=CC(=CC=C1[N+](=O)[O-])OC(=O)C(F)(F)F,"InChI=1S/C8H4F3NO4/c9-8(10,11)7(13)16-6-3-1-5(2-4-6)12(14)15/h1-4H",JFOIBTLTZWOAIC-UHFFFAOYSA-N,C8H4F3NO4,235.12,235.0092421,2.6,72.1,278,0,0,7,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEETHANOL, .ALPHA.-ETHYL-",000701-70-2,92833,1-phenylbutan-2-ol,CCC(CC1=CC=CC=C1)O,"InChI=1S/C10H14O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3",LYUPJHVGLFETDG-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,2.5,20.2,95,0,1,1,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, (TRIMETHOXYMETHYL)-",000707-07-3,69720,trimethoxymethylbenzene,COC(C1=CC=CC=C1)(OC)OC,"InChI=1S/C10H14O3/c1-11-10(12-2,13-3)9-7-5-4-6-8-9/h4-8H,1-3H3",IECKAVQTURBPON-UHFFFAOYSA-N,C10H14O3,182.22,182.0942943,2.3,27.7,129,0,0,3,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 3-[3-(TRIFLUOROMETHYL)PHENYL]-",000779-89-5,719451,(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid,C1=CC(=CC(=C1)C(F)(F)F)/C=C/C(=O)O,"InChI=1S/C10H7F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)/b5-4+",KSBWHDDGWSYETA-SNAWJCMRSA-N,C10H7F3O2,216.16,216.039814,3,37.3,258,0,1,5,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENAL, 2-METHYL-3-[4-(1-METHYLETHYL)PHENYL]-",000831-97-0,6436105,(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enal,CC(C)C1=CC=C(C=C1)/C=C(\C)/C=O,"InChI=1S/C13H16O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-10H,1-3H3/b11-8+",YCAMGBSPHGCQDC-DHZHZOJOSA-N,C13H16O,188.26,188.1201151,3.3,17.1,207,0,0,1,3,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEACETIC ACID, .ALPHA.-AMINO-, (R)-",000875-74-1,70134,(2R)-2-amino-2-phenylacetic acid,C1=CC=C(C=C1)[C@H](C(=O)O)N,"InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m1/s1",ZGUNAGUHMKGQNY-SSDOTTSWSA-N,C8H9NO2,151.16,151.0633285,-1.7,63.3,141,0,2,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, 4-(ACETYLOXY)-",000878-00-2,70144,(4-formylphenyl) acetate,CC(=O)OC1=CC=C(C=C1)C=O,"InChI=1S/C9H8O3/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-6H,1H3",SEVSMVUOKAMPDO-UHFFFAOYSA-N,C9H8O3,164.16,164.0473441,0.6,43.4,169,0,0,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, 4-(ACETYLOXY)-3-METHOXY-",000881-68-5,61229,(4-formyl-2-methoxyphenyl) acetate,CC(=O)OC1=C(C=C(C=C1)C=O)OC,"InChI=1S/C10H10O4/c1-7(12)14-9-4-3-8(6-11)5-10(9)13-2/h3-6H,1-2H3",PZSJOBKRSVRODF-UHFFFAOYSA-N,C10H10O4,194.18,194.0579088,0.8,52.6,214,0,0,4,4,14,,287.00 to 288.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, 2,4-DINITRO-, SODIUM SALT",000885-62-1,70168,"sodium 2,4-dinitrobenzenesulfonate",C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+],"InChI=1S/C6H4N2O7S.Na/c9-7(10)4-1-2-6(16(13,14)15)5(3-4)8(11)12;/h1-3H,(H,13,14,15);/q;+1/p-1",GSBYVRKLPCSLNV-UHFFFAOYSA-M,C6H3N2NaO7S,270.15,269.9558659,,157,375,0,0,7,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-HYDROXY-, HYDRAZIDE",000936-02-7,13637,2-hydroxybenzohydrazide,C1=CC=C(C(=C1)C(=O)NN)O,"InChI=1S/C7H8N2O2/c8-9-7(11)5-3-1-2-4-6(5)10/h1-4,10H,8H2,(H,9,11)",XSXYESVZDBAKKT-UHFFFAOYSA-N,C7H8N2O2,152.15,152.0585775,0.6,75.4,149,0,3,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(4-ETHYLPHENYL)-",000937-30-4,13642,1-(4-ethylphenyl)ethanone,CCC1=CC=C(C=C1)C(=O)C,"InChI=1S/C10H12O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-7H,3H2,1-2H3",NODGRWCMFMEGJH-UHFFFAOYSA-N,C10H12O,148.2,148.088815,2.5,17.1,132,0,0,1,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, PHENYL ESTER",000937-41-7,61242,phenyl prop-2-enoate,C=CC(=O)OC1=CC=CC=C1,"InChI=1S/C9H8O2/c1-2-9(10)11-8-6-4-3-5-7-8/h2-7H,1H2",WRAQQYDMVSCOTE-UHFFFAOYSA-N,C9H8O2,148.16,148.0524295,2.1,26.3,146,0,0,2,3,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-HEXANONE, 1-PHENYL-",000942-92-7,70337,1-phenylhexan-1-one,CCCCCC(=O)C1=CC=CC=C1,"InChI=1S/C12H16O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3",MAHPVQDVMLWUAG-UHFFFAOYSA-N,C12H16O,176.25,176.1201151,3.5,17.1,145,0,0,1,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 3-(4-NITROPHENYL)-, ETHYL ESTER",000953-26-4,95370,ethyl 3-(4-nitrophenyl)prop-2-enoate,CCOC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C11H11NO4/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)12(14)15/h3-8H,2H2,1H3",PFBQVGXIMLXCQB-UHFFFAOYSA-N,C11H11NO4,221.21,221.0688078,2.8,72.1,274,0,0,4,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEMETHANAMINIUM, N-DECYL-N,N-DIMETHYL-, CHLORIDE",000965-32-2,13762,benzyl-decyl-dimethylazanium chloride,CCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-],"InChI=1S/C19H34N.ClH/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19;/h11-13,15-16H,4-10,14,17-18H2,1-3H3;1H/q+1;/p-1",TTZLKXKJIMOHHG-UHFFFAOYSA-M,C19H34ClN,311.9,311.2379778,,0,216,0,0,1,11,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1,4-DIBROMO-2,5-DIMETHYL-",001074-24-4,66175,"1,4-dibromo-2,5-dimethylbenzene",CC1=CC(=C(C=C1Br)C)Br,"InChI=1S/C8H8Br2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3",QENIALCDPFDFHX-UHFFFAOYSA-N,C8H8Br2,263.96,263.89723,4,0,99,0,0,0,0,10,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEPROPANOIC ACID, .BETA.-(AMINOMETHYL)-",001078-21-3,14113,4-amino-3-phenylbutanoic acid,C1=CC=C(C=C1)C(CC(=O)O)CN,"InChI=1S/C10H13NO2/c11-7-9(6-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)",DAFOCGYVTAOKAJ-UHFFFAOYSA-N,C10H13NO2,179.22,179.0946287,-1.6,63.3,164,0,2,3,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1,4-DICHLORO-2,5-DIMETHYL-",001124-05-6,70755,"1,4-dichloro-2,5-dimethylbenzene",CC1=CC(=C(C=C1Cl)C)Cl,"InChI=1S/C8H8Cl2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3",UTGSRNVBAFCOEU-UHFFFAOYSA-N,C8H8Cl2,175.05,174.0003056,3.9,0,99,0,0,0,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, BUTOXY-",001126-79-0,14311,butoxybenzene,CCCCOC1=CC=CC=C1,"InChI=1S/C10H14O/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3",YFNONBGXNFCTMM-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,3.5,9.2,84,0,0,1,4,11,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-(HEXYLOXY)-",001142-39-8,70834,4-hexoxybenzoic acid,CCCCCCOC1=CC=C(C=C1)C(=O)O,"InChI=1S/C13H18O3/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9H,2-5,10H2,1H3,(H,14,15)",HBQUXMZZODHFMJ-UHFFFAOYSA-N,C13H18O3,222.28,222.1255944,3.9,46.5,195,0,1,3,7,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-ASPARTIC ACID, N-[(PHENYLMETHOXY)CARBONYL]-",001152-61-0,2723942,(2S)-2-(phenylmethoxycarbonylamino)butanedioic acid,C1=CC=C(C=C1)COC(=O)N[C@@H](CC(=O)O)C(=O)O,"InChI=1S/C12H13NO6/c14-10(15)6-9(11(16)17)13-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,14,15)(H,16,17)/t9-/m0/s1",XYXYXSKSTZAEJW-VIFPVBQESA-N,C12H13NO6,267.23,267.0742871,0.6,113,337,0,3,6,7,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANESULFONAMIDE, N-PHENYL-",001197-22-4,70970,N-phenylmethanesulfonamide,CS(=O)(=O)NC1=CC=CC=C1,"InChI=1S/C7H9NO2S/c1-11(9,10)8-7-5-3-2-4-6-7/h2-6,8H,1H3",LBTPIFQNEKOAIM-UHFFFAOYSA-N,C7H9NO2S,171.22,171.0353997,0.9,54.6,199,0,1,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEMETHANAMINIUM, AR-DODECYL-N,N,N-TRIMETHYL-, CHLORIDE",001330-85-4,102601945,(3-dodecylphenyl)methyl-trimethylazanium chloride,CCCCCCCCCCCCC1=CC(=CC=C1)C[N+](C)(C)C.[Cl-],"InChI=1S/C22H40N.ClH/c1-5-6-7-8-9-10-11-12-13-14-16-21-17-15-18-22(19-21)20-23(2,3)4;/h15,17-19H,5-14,16,20H2,1-4H3;1H/q+1;/p-1",NWUZFHOECSNOOL-UHFFFAOYSA-M,C22H40ClN,354,353.284928,,0,266,0,0,1,13,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETALDEHYDE, AR-(1-METHYLETHYL)-",001335-44-0,74010,2-(3-propan-2-ylphenyl)acetaldehyde,CC(C)C1=CC=CC(=C1)CC=O,"InChI=1S/C11H14O/c1-9(2)11-5-3-4-10(8-11)6-7-12/h3-5,7-9H,6H2,1-2H3",PLBFBQRBPDVZMR-UHFFFAOYSA-N,C11H14O,162.23,162.1044651,2.4,17.1,140,0,0,1,3,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANONE, 1-(2-HYDROXY-5-METHYLPHENYL)-",001450-72-2,15068,1-(2-hydroxy-5-methylphenyl)ethanone,CC1=CC(=C(C=C1)O)C(=O)C,"InChI=1S/C9H10O2/c1-6-3-4-9(11)8(5-6)7(2)10/h3-5,11H,1-2H3",YNPDFBFVMJNGKZ-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,2.3,37.3,154,0,1,2,1,11,,210.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPEN-1-OL, 3-(4-NITROPHENYL)-",001504-63-8,5462894,(E)-3-(4-nitrophenyl)prop-2-en-1-ol,C1=CC(=CC=C1/C=C/CO)[N+](=O)[O-],"InChI=1S/C9H9NO3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1-6,11H,7H2/b2-1+",LGXXEDSIJZHDBN-OWOJBTEDSA-N,C9H9NO3,179.17,179.0582431,1.8,66.1,190,0,1,3,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENAL, 3-(2-METHOXYPHENYL)-",001504-74-1,641298,(E)-3-(2-methoxyphenyl)prop-2-enal,COC1=CC=CC=C1/C=C/C=O,"InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+",KKVZAVRSVHUSPL-GQCTYLIASA-N,C10H10O2,162.18,162.0680796,1.7,26.3,163,0,0,2,3,12,,160.00 to 161.00 °C. @ 12.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-PENTADIENOIC ACID, 5-PHENYL-",001552-94-9,73777,"5-phenylpenta-2,4-dienoic acid",C1=CC=C(C=C1)C=CC=CC(=O)O,"InChI=1S/C11H10O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-9H,(H,12,13)",FEIQOMCWGDNMHM-UHFFFAOYSA-N,C11H10O2,174.2,174.0680796,2.8,37.3,210,0,1,2,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-BROMO-4-ETHYL-",001585-07-5,15313,1-bromo-4-ethylbenzene,CCC1=CC=C(C=C1)Br,"InChI=1S/C8H9Br/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3",URFPRAHGGBYNPW-UHFFFAOYSA-N,C8H9Br,185.06,183.98876,3.6,0,72,0,0,0,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-BENZENEDICARBOXYLIC ACID, MONOMETHYL ESTER",001679-64-7,15513,4-methoxycarbonylbenzoic acid,COC(=O)C1=CC=C(C=C1)C(=O)O,"InChI=1S/C9H8O4/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5H,1H3,(H,10,11)",REIDAMBAPLIATC-UHFFFAOYSA-N,C9H8O4,180.16,180.0422587,1.9,63.6,204,0,1,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, (4-NITROPHENOXY)-",001798-11-4,15720,2-(4-nitrophenoxy)acetic acid,C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)O,"InChI=1S/C8H7NO5/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13/h1-4H,5H2,(H,10,11)",AVDLFIONKHGQAP-UHFFFAOYSA-N,C8H7NO5,197.14,197.0324223,1.5,92.4,216,0,1,5,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-(1-METHYLETHYL)-4-NITRO-",001817-47-6,15749,1-nitro-4-propan-2-ylbenzene,CC(C)C1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C9H11NO2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3",JXMYUMNAEKRMIP-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,3.5,45.8,154,0,0,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SILANE, ETHOXYDIMETHYLPHENYL-",001825-58-7,15770,ethoxy-dimethyl-phenylsilane,CCO[Si](C)(C)C1=CC=CC=C1,"InChI=1S/C10H16OSi/c1-4-11-12(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3",FIHCECZPYHVEJO-UHFFFAOYSA-N,C10H16OSi,180.32,180.0970417,,9.2,128,0,0,1,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SILANE, (CHLOROMETHYL)DIMETHYLPHENYL-",001833-51-8,74598,chloromethyl-dimethyl-phenylsilane,C[Si](C)(CCl)C1=CC=CC=C1,"InChI=1S/C9H13ClSi/c1-11(2,8-10)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3",RJCTVFQQNCNBHG-UHFFFAOYSA-N,C9H13ClSi,184.74,184.0475046,,0,117,0,0,0,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"FORMIC ACID, 4-NITROPHENYL ESTER",001865-01-6,74628,(4-nitrophenyl) formate,C1=CC(=CC=C1[N+](=O)[O-])OC=O,InChI=1S/C7H5NO4/c9-5-12-7-3-1-6(2-4-7)8(10)11/h1-5H,IEXRKQFZXJSHOB-UHFFFAOYSA-N,C7H5NO4,167.12,167.0218576,1.8,72.1,169,0,0,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, (4-HYDROXYPHENOXY)-",001878-84-8,15881,2-(4-hydroxyphenoxy)acetic acid,C1=CC(=CC=C1O)OCC(=O)O,"InChI=1S/C8H8O4/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4,9H,5H2,(H,10,11)",PKGWLCZTTHWKIZ-UHFFFAOYSA-N,C8H8O4,168.15,168.0422587,0.7,66.8,149,0,2,4,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, (4-BROMOPHENOXY)-",001878-91-7,74657,2-(4-bromophenoxy)acetic acid,C1=CC(=CC=C1OCC(=O)O)Br,"InChI=1S/C8H7BrO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)",SZEBGAQWWSUOHT-UHFFFAOYSA-N,C8H7BrO3,231.04,229.95786,2.4,46.5,152,0,1,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-AMINO-, HYDRAZIDE",001904-58-1,94728,2-aminobenzohydrazide,C1=CC=C(C(=C1)C(=O)NN)N,"InChI=1S/C7H9N3O/c8-6-4-2-1-3-5(6)7(11)10-9/h1-4H,8-9H2,(H,10,11)",GRWMSCBKWMQPON-UHFFFAOYSA-N,C7H9N3O,151.17,151.0745619,-0.2,81.1,149,0,3,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-METHYL-3-NITRO-",001975-50-4,16096,2-methyl-3-nitrobenzoic acid,CC1=C(C=CC=C1[N+](=O)[O-])C(=O)O,"InChI=1S/C8H7NO4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3,(H,10,11)",YPQAFWHSMWWPLX-UHFFFAOYSA-N,C8H7NO4,181.15,181.0375077,1.6,83.1,223,0,1,4,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETIC ACID, 4-CHLORO-.ALPHA.-(1-METHYLETHYL)-",002012-74-0,16197,2-(4-chlorophenyl)-3-methylbutanoic acid,CC(C)C(C1=CC=C(C=C1)Cl)C(=O)O,"InChI=1S/C11H13ClO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14)",VTJMSIIXXKNIDJ-UHFFFAOYSA-N,C11H13ClO2,212.67,212.0604073,3.4,37.3,195,0,1,2,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, 3,4-DIETHOXY-",002029-94-9,74847,"3,4-diethoxybenzaldehyde",CCOC1=C(C=C(C=C1)C=O)OCC,"InChI=1S/C11H14O3/c1-3-13-10-6-5-9(8-12)7-11(10)14-4-2/h5-8H,3-4H2,1-2H3",SSTRYEXQYQGGAS-UHFFFAOYSA-N,C11H14O3,194.23,194.0942943,2.3,35.5,170,0,0,3,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, PHENOXY-, METHYL ESTER",002065-23-8,16365,methyl 2-phenoxyacetate,COC(=O)COC1=CC=CC=C1,"InChI=1S/C9H10O3/c1-11-9(10)7-12-8-5-3-2-4-6-8/h2-6H,7H2,1H3",BZCKRPHEZOHHBK-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.4,35.5,139,0,0,3,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, 2,3,4-TRIMETHOXY-",002103-57-3,75006,"2,3,4-trimethoxybenzaldehyde",COC1=C(C(=C(C=C1)C=O)OC)OC,"InChI=1S/C10H12O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-6H,1-3H3",UCTUXUGXIFRVGX-UHFFFAOYSA-N,C10H12O4,196.2,196.0735589,1.3,44.8,183,0,0,4,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(2,5-DIMETHYLPHENYL)-",002142-73-6,75061,"1-(2,5-dimethylphenyl)ethanone",CC1=CC(=C(C=C1)C)C(=O)C,"InChI=1S/C10H12O/c1-7-4-5-8(2)10(6-7)9(3)11/h4-6H,1-3H3",AWKBVLVKQQRRFQ-UHFFFAOYSA-N,C10H12O,148.2,148.088815,2.3,17.1,151,0,0,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 3,5-DIHYDROXY-, METHYL ESTER",002150-44-9,75076,"methyl 3,5-dihydroxybenzoate",COC(=O)C1=CC(=CC(=C1)O)O,"InChI=1S/C8H8O4/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4,9-10H,1H3",RNVFYQUEEMZKLR-UHFFFAOYSA-N,C8H8O4,168.15,168.0422587,1.5,66.8,158,0,2,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-HYDROXY-3,5-BIS(1-METHYLETHYL)-",002215-21-6,30543,"2-hydroxy-3,5-di(propan-2-yl)benzoic acid",CC(C)C1=CC(=C(C(=C1)C(=O)O)O)C(C)C,"InChI=1S/C13H18O3/c1-7(2)9-5-10(8(3)4)12(14)11(6-9)13(15)16/h5-8,14H,1-4H3,(H,15,16)",XUFUYOGWFZSHGE-UHFFFAOYSA-N,C13H18O3,222.28,222.1255944,5.5,57.5,248,0,2,3,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, 4-HYDROXY-3,5-DIMETHYL-",002233-18-3,75222,"4-hydroxy-3,5-dimethylbenzaldehyde",CC1=CC(=CC(=C1O)C)C=O,"InChI=1S/C9H10O2/c1-6-3-8(5-10)4-7(2)9(6)11/h3-5,11H,1-2H3",UYGBSRJODQHNLQ-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,0.8,37.3,132,0,1,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-(ACETYLOXY)-",002345-34-8,16865,4-acetyloxybenzoic acid,CC(=O)OC1=CC=C(C=C1)C(=O)O,"InChI=1S/C9H8O4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3,(H,11,12)",GDBUZIKSJGRBJP-UHFFFAOYSA-N,C9H8O4,180.16,180.0422587,0.9,63.6,204,0,1,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-LYSINE, N2-[(1,1-DIMETHYLETHOXY)CARBONYL]-N6-[(PHENYLMETHOXY)CARBONYL]-",002389-45-9,2724765,(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid,CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)O,"InChI=1S/C19H28N2O6/c1-19(2,3)27-18(25)21-15(16(22)23)11-7-8-12-20-17(24)26-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)/t15-/m0/s1",BDHUTRNYBGWPBL-HNNXBMFYSA-N,C19H28N2O6,380.4,380.1947366,2.8,114,483,0,3,6,12,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-BROMO-3-METHOXY-",002398-37-0,16971,1-bromo-3-methoxybenzene,COC1=CC(=CC=C1)Br,"InChI=1S/C7H7BrO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3",PLDWAJLZAAHOGG-UHFFFAOYSA-N,C7H7BrO,187.03,185.96803,3,9.2,85,0,0,1,1,9,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANAMIDE, N-(3-CHLOROPHENYL)-3-OXO-",002415-87-4,75487,N-(3-chlorophenyl)-3-oxobutanamide,CC(=O)CC(=O)NC1=CC(=CC=C1)Cl,"InChI=1S/C10H10ClNO2/c1-7(13)5-10(14)12-9-4-2-3-8(11)6-9/h2-4,6H,5H2,1H3,(H,12,14)",MTPKMGABYQNMMG-UHFFFAOYSA-N,C10H10ClNO2,211.64,211.0400063,2.6,46.2,230,0,1,2,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-AMINO-2-CHLORO-",002457-76-3,17154,4-amino-2-chlorobenzoic acid,C1=CC(=C(C=C1N)Cl)C(=O)O,"InChI=1S/C7H6ClNO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,9H2,(H,10,11)",MBDUKNCPOPMRJQ-UHFFFAOYSA-N,C7H6ClNO2,171.58,171.0087061,1.5,63.3,163,0,2,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, 2-HYDROXY-3,5-DINITRO-",002460-59-5,75571,"2-hydroxy-3,5-dinitrobenzaldehyde",C1=C(C=C(C(=C1C=O)O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C7H4N2O6/c10-3-4-1-5(8(12)13)2-6(7(4)11)9(14)15/h1-3,11H",FLJXIBHYDIMYRS-UHFFFAOYSA-N,C7H4N2O6,212.12,212.0069359,1.1,129,282,0,1,6,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(2,5-DICHLOROPHENYL)-",002476-37-1,75587,"1-(2,5-dichlorophenyl)ethanone",CC(=O)C1=C(C=CC(=C1)Cl)Cl,"InChI=1S/C8H6Cl2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3",CYNFEPKQDJHIMV-UHFFFAOYSA-N,C8H6Cl2O,189.04,187.9795702,2.7,17.1,158,0,0,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-(OCTYLOXY)-",002493-84-7,17231,4-octoxybenzoic acid,CCCCCCCCOC1=CC=C(C=C1)C(=O)O,"InChI=1S/C15H22O3/c1-2-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17/h8-11H,2-7,12H2,1H3,(H,16,17)",IALWCYFULVHLEC-UHFFFAOYSA-N,C15H22O3,250.33,250.1568946,5,46.5,220,0,1,3,9,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 2-METHYL-, PHENYLMETHYL ESTER",002495-37-6,17236,benzyl 2-methylprop-2-enoate,CC(=C)C(=O)OCC1=CC=CC=C1,"InChI=1S/C11H12O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3",AOJOEFVRHOZDFN-UHFFFAOYSA-N,C11H12O2,176.21,176.0837296,2.9,26.3,190,0,0,2,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"SILANE, TRIETHOXY(PHENYLMETHYL)-",002549-99-7,75690,benzyl(triethoxy)silane,CCO[Si](CC1=CC=CC=C1)(OCC)OCC,"InChI=1S/C13H22O3Si/c1-4-14-17(15-5-2,16-6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3",CPLASELWOOUNGW-UHFFFAOYSA-N,C13H22O3Si,254.4,254.1338211,,27.7,176,0,0,3,8,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-PENTANONE, 1-(4-HYDROXYPHENYL)-",002589-71-1,75766,1-(4-hydroxyphenyl)pentan-1-one,CCCCC(=O)C1=CC=C(C=C1)O,"InChI=1S/C11H14O2/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8,12H,2-4H2,1H3",ZKCJJGOOPOIZTE-UHFFFAOYSA-N,C11H14O2,178.23,178.0993797,2.6,37.3,157,0,1,2,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-OCTANONE, 1-(4-HYDROXYPHENYL)-",002589-73-3,75767,1-(4-hydroxyphenyl)octan-1-one,CCCCCCCC(=O)C1=CC=C(C=C1)O,"InChI=1S/C14H20O2/c1-2-3-4-5-6-7-14(16)12-8-10-13(15)11-9-12/h8-11,15H,2-7H2,1H3",GPDYSJOGSNWMDZ-UHFFFAOYSA-N,C14H20O2,220.31,220.1463299,4.2,37.3,193,0,1,2,7,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 2,2-DICHLORO-1-PHENYL-",002648-61-5,72870,"2,2-dichloro-1-phenylethanone",C1=CC=C(C=C1)C(=O)C(Cl)Cl,"InChI=1S/C8H6Cl2O/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,8H",CERJZAHSUZVMCH-UHFFFAOYSA-N,C8H6Cl2O,189.04,187.9795702,3,17.1,139,0,0,1,2,11,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2,3-DICHLORO-, METHYL ESTER",002905-54-6,76189,"methyl 2,3-dichlorobenzoate",COC(=O)C1=C(C(=CC=C1)Cl)Cl,"InChI=1S/C8H6Cl2O2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,1H3",RFVULUSGHFRDHJ-UHFFFAOYSA-N,C8H6Cl2O2,205.03,203.9744848,3,26.3,172,0,0,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETIC ACID, .ALPHA.-AMINO-, (S)-",002935-35-5,99291,(2S)-2-amino-2-phenylacetic acid,C1=CC=C(C=C1)[C@@H](C(=O)O)N,"InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m0/s1",ZGUNAGUHMKGQNY-ZETCQYMHSA-N,C8H9NO2,151.16,151.0633285,-1.7,63.3,141,0,2,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, 3-BROMO-4-HYDROXY-5-METHOXY-",002973-76-4,18099,3-bromo-4-hydroxy-5-methoxybenzaldehyde,COC1=C(C(=CC(=C1)C=O)Br)O,"InChI=1S/C8H7BrO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3",KLSHZDPXXKAHIJ-UHFFFAOYSA-N,C8H7BrO3,231.04,229.95786,1.7,46.5,162,0,1,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 3,5-DIBROMO-2-HYDROXY-",003147-55-5,18464,"3,5-dibromo-2-hydroxybenzoic acid",C1=C(C=C(C(=C1C(=O)O)O)Br)Br,"InChI=1S/C7H4Br2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)",BFBZHSOXKROMBG-UHFFFAOYSA-N,C7H4Br2O3,295.91,295.85067,3,57.5,185,0,2,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-(2-HYDROXYETHOXY)-, METHYL ESTER",003204-73-7,76670,methyl 4-(2-hydroxyethoxy)benzoate,COC(=O)C1=CC=C(C=C1)OCCO,"InChI=1S/C10H12O4/c1-13-10(12)8-2-4-9(5-3-8)14-7-6-11/h2-5,11H,6-7H2,1H3",VFBYWNSASHHPPA-UHFFFAOYSA-N,C10H12O4,196.2,196.0735589,1.6,55.8,173,0,1,4,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-PHENYLETHYL ESTER",003530-36-7,77066,2-phenylethyl prop-2-enoate,C=CC(=O)OCCC1=CC=CC=C1,"InChI=1S/C11H12O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h2-7H,1,8-9H2",HPSGLFKWHYAKSF-UHFFFAOYSA-N,C11H12O2,176.21,176.0837296,2.9,26.3,169,0,0,2,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-METHYL-, 2-PHENYLETHYL ESTER",003683-12-3,77260,2-phenylethyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCC1=CC=CC=C1,"InChI=1S/C12H14O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3",ILZXXGLGJZQLTR-UHFFFAOYSA-N,C12H14O2,190.24,190.0993797,3.3,26.3,202,0,0,2,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, 2-CHLORO-, OXIME",003717-28-0,6861540,(NE)-N-[(2-chlorophenyl)methylidene]hydroxylamine,C1=CC=C(C(=C1)/C=N/O)Cl,"InChI=1S/C7H6ClNO/c8-7-4-2-1-3-6(7)5-9-10/h1-5,10H/b9-5+",FZIVKDWRLLMSEJ-WEVVVXLNSA-N,C7H6ClNO,155.58,155.0137915,2.6,32.6,127,0,1,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETIC ACID, 2-NITRO-",003740-52-1,77337,2-(2-nitrophenyl)acetic acid,C1=CC=C(C(=C1)CC(=O)O)[N+](=O)[O-],"InChI=1S/C8H7NO4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)",WMUZDBZPDLHUMW-UHFFFAOYSA-N,C8H7NO4,181.15,181.0375077,1.6,83.1,211,0,1,4,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1,4-BIS(CHLOROMETHYL)-2,5-DIMETHOXY-",003752-97-4,77357,"1,4-bis(chloromethyl)-2,5-dimethoxybenzene",COC1=CC(=C(C=C1CCl)OC)CCl,"InChI=1S/C10H12Cl2O2/c1-13-9-3-8(6-12)10(14-2)4-7(9)5-11/h3-4H,5-6H2,1-2H3",GEUWDCJVDLHSNQ-UHFFFAOYSA-N,C10H12Cl2O2,235.1,234.021435,2.6,18.5,148,0,0,2,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONOTHIOIC ACID, 4-METHYL-, SODIUM SALT",003753-27-3,23682950,sodium (4-methylphenyl)-oxido-oxo-sulfanylidene-lambda6-sulfane,CC1=CC=C(C=C1)S(=O)(=S)[O-].[Na+],"InChI=1S/C7H8O2S2.Na/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+1/p-1",HRILWXJIWQHJMT-UHFFFAOYSA-M,C7H7NaO2S2,210.3,209.9785161,,80.6,228,0,0,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamidine, p-amino-",003858-83-1,1725,4-aminobenzenecarboximidamide,C1=CC(=CC=C1C(=N)N)N,"InChI=1S/C7H9N3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H3,9,10)",WPANETAWYGDRLL-UHFFFAOYSA-N,C7H9N3,135.17,135.0796473,-0.5,75.9,125,0,3,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1,3-BIS(1,1,2,2-TETRAFLUOROETHOXY)-",003914-19-0,77517,"1,3-bis(1,1,2,2-tetrafluoroethoxy)benzene",C1=CC(=CC(=C1)OC(C(F)F)(F)F)OC(C(F)F)(F)F,"InChI=1S/C10H6F8O2/c11-7(12)9(15,16)19-5-2-1-3-6(4-5)20-10(17,18)8(13)14/h1-4,7-8H",BGSNJTVHTSPYDP-UHFFFAOYSA-N,C10H6F8O2,310.14,310.0240047,5.1,18.5,282,0,0,10,6,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BENZENEDICARBOXYLIC ACID, 5-SULFO-, 1,3-DIMETHYL ESTER, SODIUM SALT",003965-55-7,45157439,,COC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OC.[Na],"InChI=1S/C10H10O7S.Na/c1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15;/h3-5H,1-2H3,(H,13,14,15);",YYYWHHMCKHITRA-UHFFFAOYSA-N,C10H10NaO7S,297.24,297.0044931,,115,398,0,1,7,5,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHENOL, 2,6-BIS(1,1-DIMETHYLETHYL)-4-ETHYL-",004130-42-1,20087,"2,6-ditert-butyl-4-ethylphenol",CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,"InChI=1S/C16H26O/c1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h9-10,17H,8H2,1-7H3",BVUXDWXKPROUDO-UHFFFAOYSA-N,C16H26O,234.38,234.1983654,5.7,20.2,219,0,1,1,3,17,,272.00 °C. @ 760.00 mm Hg,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-IODO-2,4-DIMETHYL-",004214-28-2,77885,"1-iodo-2,4-dimethylbenzene",CC1=CC(=C(C=C1)I)C,"InChI=1S/C8H9I/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H3",BUNKQJAMHYKQIM-UHFFFAOYSA-N,C8H9I,232.06,231.9749,3.3,0,90,0,0,0,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"p-Toluenesulfonamide, N-(5-amino-1-(chloroacetyl)pentyl)-, hydrochloride, L-",004272-74-6,73093,N-[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]-4-methylbenzenesulfonamide;hydrochloride,CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl.Cl,"InChI=1S/C14H21ClN2O3S.ClH/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16;/h5-8,13,17H,2-4,9-10,16H2,1H3;1H/t13-;/m0./s1",YFCUZWYIPBUQBD-ZOWNYOTGSA-N,C14H22Cl2N2O3S,369.3,368.0728191,,97.6,414,0,3,5,9,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2,6-BIS(1,1-DIMETHYLETHYL)-4-NONYL-",004306-88-1,78004,"2,6-ditert-butyl-4-nonylphenol",CCCCCCCCCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,"InChI=1S/C23H40O/c1-8-9-10-11-12-13-14-15-18-16-19(22(2,3)4)21(24)20(17-18)23(5,6)7/h16-17,24H,8-15H2,1-7H3",VQQLTEBUMLSLFJ-UHFFFAOYSA-N,C23H40O,332.6,332.3079159,9.5,20.2,309,0,1,1,10,24,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 5-(ACETYLAMINO)-2-NITRO-",004368-83-6,78076,5-acetamido-2-nitrobenzoic acid,CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O,"InChI=1S/C9H8N2O5/c1-5(12)10-6-2-3-8(11(15)16)7(4-6)9(13)14/h2-4H,1H3,(H,10,12)(H,13,14)",ZSHFMOUMOUOGKI-UHFFFAOYSA-N,C9H8N2O5,224.17,224.0433214,0.7,112,312,0,2,5,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 4-PROPOXY-",004469-80-1,78221,4-propoxyaniline,CCCOC1=CC=C(C=C1)N,"InChI=1S/C9H13NO/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6H,2,7,10H2,1H3",DWOIGSLSPPLRKO-UHFFFAOYSA-N,C9H13NO,151.21,151.099714,2,35.3,97,0,1,2,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 3-AMINO-, METHYL ESTER",004518-10-9,78274,methyl 3-aminobenzoate,COC(=O)C1=CC(=CC=C1)N,"InChI=1S/C8H9NO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,9H2,1H3",VZDNXXPBYLGWOS-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,1.5,52.3,147,0,1,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEMETHANESULFONIC ACID, .ALPHA.-HYDROXY-, MONOSODIUM SALT",004657-12-9,23665709,sodium hydroxy(phenyl)methanesulfonate,C1=CC=C(C=C1)C(O)S(=O)(=O)[O-].[Na+],"InChI=1S/C7H8O4S.Na/c8-7(12(9,10)11)6-4-2-1-3-5-6;/h1-5,7-8H,(H,9,10,11);/q;+1/p-1",ZBFCSRYSLRPAOY-UHFFFAOYSA-M,C7H7NaO4S,210.18,209.9962742,,85.8,227,0,1,4,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2-(1-METHYLETHOXY)-",004812-20-8,20949,2-propan-2-yloxyphenol,CC(C)OC1=CC=CC=C1O,"InChI=1S/C9H12O2/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7,10H,1-2H3",ZNCUUYCDKVNVJH-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,2.1,29.5,112,0,1,2,2,11,,100 - 102 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 4-AMINO-3-NITRO-, MONOSODIUM SALT",005042-33-1,165281,sodium 4-amino-3-nitrobenzenesulfonate,C1=CC(=C(C=C1S(=O)(=O)[O-])[N+](=O)[O-])N.[Na+],"InChI=1S/C6H6N2O5S.Na/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10;/h1-3H,7H2,(H,11,12,13);/q;+1/p-1",SXTOGAIYFMTUAD-UHFFFAOYSA-M,C6H5N2NaO5S,240.17,239.9816867,,137,303,0,1,6,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 3-(4-AMINOPHENYL)-, ETHYL ESTER",005048-82-8,736317,ethyl (E)-3-(4-aminophenyl)prop-2-enoate,CCOC(=O)/C=C/C1=CC=C(C=C1)N,"InChI=1S/C11H13NO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2,12H2,1H3/b8-5+",NRPMBSHHBFFYBF-VMPITWQZSA-N,C11H13NO2,191.23,191.0946287,2.3,52.3,205,0,1,3,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-HYDROXY-, 2-ETHYLHEXYL ESTER",005153-25-3,107377,2-ethylhexyl 4-hydroxybenzoate,CCCCC(CC)COC(=O)C1=CC=C(C=C1)O,"InChI=1S/C15H22O3/c1-3-5-6-12(4-2)11-18-15(17)13-7-9-14(16)10-8-13/h7-10,12,16H,3-6,11H2,1-2H3",VTIMKVIDORQQFA-UHFFFAOYSA-N,C15H22O3,250.33,250.1568946,4.5,46.5,232,0,1,3,8,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-[(3-AMINOPHENYL)SULFONYL]ETHANOL,005246-57-1,78905,2-(3-aminophenyl)sulfonylethanol,C1=CC(=CC(=C1)S(=O)(=O)CCO)N,"InChI=1S/C8H11NO3S/c9-7-2-1-3-8(6-7)13(11,12)5-4-10/h1-3,6,10H,4-5,9H2",ASASRSMRAPYLQI-UHFFFAOYSA-N,C8H11NO3S,201.25,201.0459644,-0.4,88.8,245,0,2,4,3,13,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOIC ACID, 2-AMINO-5-IODO-",005326-47-6,72911,2-amino-5-iodobenzoic acid,C1=CC(=C(C=C1I)C(=O)O)N,"InChI=1S/C7H6INO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)",GOLGILSVWFKZRQ-UHFFFAOYSA-N,C7H6INO2,263.03,262.94433,2.1,63.3,163,0,2,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENECARBOXIMIDIC ACID, ETHYL ESTER, HYDROCHLORIDE",005333-86-8,79249,ethyl benzenecarboximidate;hydrochloride,CCOC(=N)C1=CC=CC=C1.Cl,"InChI=1S/C9H11NO.ClH/c1-2-11-9(10)8-6-4-3-5-7-8;/h3-7,10H,2H2,1H3;1H",MODZVIMSNXSQIH-UHFFFAOYSA-N,C9H12ClNO,185.65,185.0607417,,33.1,128,0,2,2,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-BENZENEDICARBOXYLIC ACID, 2-AMINO-, DIMETHYL ESTER",005372-81-6,79336,"dimethyl 2-aminobenzene-1,4-dicarboxylate",COC(=O)C1=CC(=C(C=C1)C(=O)OC)N,"InChI=1S/C10H11NO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,11H2,1-2H3",DSSKDXUDARIMTR-UHFFFAOYSA-N,C10H11NO4,209.2,209.0688078,2.5,78.6,254,0,1,5,4,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BENZENEDICARBOXYLIC ACID, 4-AMINO-",005434-21-9,72912,4-aminophthalic acid,C1=CC(=C(C=C1N)C(=O)O)C(=O)O,"InChI=1S/C8H7NO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)",OXSANYRLJHSQEP-UHFFFAOYSA-N,C8H7NO4,181.15,181.0375077,0.7,101,228,0,3,5,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 3-METHYL-2-NITRO-",005437-38-7,21575,3-methyl-2-nitrobenzoic acid,CC1=C(C(=CC=C1)C(=O)O)[N+](=O)[O-],"InChI=1S/C8H7NO4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3,(H,10,11)",DGDAVTPQCQXLGU-UHFFFAOYSA-N,C8H7NO4,181.15,181.0375077,1.6,83.1,223,0,1,4,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, 4-HYDROXY-3-IODO-5-METHOXY-",005438-36-8,79499,4-hydroxy-3-iodo-5-methoxybenzaldehyde,COC1=C(C(=CC(=C1)C=O)I)O,"InChI=1S/C8H7IO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3",FBBCSYADXYILEH-UHFFFAOYSA-N,C8H7IO3,278.04,277.94399,1.7,46.5,162,0,1,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-[4-(PENTYLOXY)PHENYL]-",005467-56-1,79598,1-(4-pentoxyphenyl)ethanone,CCCCCOC1=CC=C(C=C1)C(=O)C,"InChI=1S/C13H18O2/c1-3-4-5-10-15-13-8-6-12(7-9-13)11(2)14/h6-9H,3-5,10H2,1-2H3",KJQMDQDQXJDXJR-UHFFFAOYSA-N,C13H18O2,206.28,206.1306798,3.5,26.3,181,0,0,2,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(4-BUTOXYPHENYL)-",005736-89-0,79814,1-(4-butoxyphenyl)ethanone,CCCCOC1=CC=C(C=C1)C(=O)C,"InChI=1S/C12H16O2/c1-3-4-9-14-12-7-5-11(6-8-12)10(2)13/h5-8H,3-4,9H2,1-2H3",YYLCJWIQUFHYMY-UHFFFAOYSA-N,C12H16O2,192.25,192.1150297,2.9,26.3,169,0,0,2,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2,5-BIS(1,1-DIMETHYLETHYL)-",005875-45-6,79983,"2,5-ditert-butylphenol",CC(C)(C)C1=CC(=C(C=C1)C(C)(C)C)O,"InChI=1S/C14H22O/c1-13(2,3)10-7-8-11(12(15)9-10)14(4,5)6/h7-9,15H,1-6H3",KDBZVULQVCUNNA-UHFFFAOYSA-N,C14H22O,206.32,206.1670653,4.9,20.2,206,0,1,1,2,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2,4,6-TRIS(1-METHYLPROPYL)-",005892-47-7,110728,"2,4,6-tri(butan-2-yl)phenol",CCC(C)C1=CC(=C(C(=C1)C(C)CC)O)C(C)CC,"InChI=1S/C18H30O/c1-7-12(4)15-10-16(13(5)8-2)18(19)17(11-15)14(6)9-3/h10-14,19H,7-9H2,1-6H3",LAVMWOGIDKQCDK-UHFFFAOYSA-N,C18H30O,262.4,262.2296656,6,20.2,230,0,1,1,6,19,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHENOL, 4-AMINO-2,6-DICHLORO-",005930-28-9,80037,"4-amino-2,6-dichlorophenol",C1=C(C=C(C(=C1Cl)O)Cl)N,"InChI=1S/C6H5Cl2NO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H,9H2",KGEXISHTCZHGFT-UHFFFAOYSA-N,C6H5Cl2NO,178.01,176.9748192,2.4,46.3,110,0,2,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, 3,4-DIMETHYL-",005973-71-7,22278,"3,4-dimethylbenzaldehyde",CC1=C(C=C(C=C1)C=O)C,"InChI=1S/C9H10O/c1-7-3-4-9(6-10)5-8(7)2/h3-6H,1-2H3",POQJHLBMLVTHAU-UHFFFAOYSA-N,C9H10O,134.17,134.0731649,2.7,17.1,120,0,0,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEDIAZONIUM, 4-(ETHYLAMINO)-3-METHYL-, TETRAFLUOROBORATE(1-)",006087-59-8,24213170,4-(ethylamino)-3-methylbenzenediazonium tetrafluoroborate,[B-](F)(F)(F)F.CCNC1=C(C=C(C=C1)[N+]#N)C,"InChI=1S/C9H12N3.BF4/c1-3-11-9-5-4-8(12-10)6-7(9)2;2-1(3,4)5/h4-6,11H,3H2,1-2H3;/q+1;-1",GXAWUBYDAYVYDD-UHFFFAOYSA-N,C9H12BF4N3,249.02,249.1060402,,40.2,201,0,1,7,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 2,4,6-TRIMETHYL-, SODIUM SALT",006148-75-0,23661859,"sodium 2,4,6-trimethylbenzenesulfonate",CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.[Na+],"InChI=1S/C9H12O3S.Na/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;/h4-5H,1-3H3,(H,10,11,12);/q;+1/p-1",AOJUNZYQOYSGHT-UHFFFAOYSA-M,C9H11NaO3S,222.24,222.0326597,,65.6,258,0,0,3,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 4-NITRO-, METHYL ESTER",006214-20-6,22582,methyl 4-nitrobenzenesulfonate,COS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C7H7NO5S/c1-13-14(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3",RMNJNEUWTBBZPT-UHFFFAOYSA-N,C7H7NO5S,217.2,217.0044935,1.4,97.6,293,0,0,5,2,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-BUTANONE, 3-METHYL-, PHENYLHYDRAZONE",006243-71-6,9576162,N-[(E)-3-methylbutan-2-ylideneamino]aniline,CC(C)/C(=N/NC1=CC=CC=C1)/C,"InChI=1S/C11H16N2/c1-9(2)10(3)12-13-11-7-5-4-6-8-11/h4-9,13H,1-3H3/b12-10+",FMMTYPMNEMQQSY-ZRDIBKRKSA-N,C11H16N2,176.26,176.1313485,3.1,24.4,167,0,1,2,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 4-AMINO-5-METHYL-2-(1-METHYLETHYL)-, HYDROCHLORIDE",006321-11-5,80603,4-amino-5-methyl-2-propan-2-ylphenol;hydrochloride,CC1=CC(=C(C=C1N)C(C)C)O.Cl,"InChI=1S/C10H15NO.ClH/c1-6(2)8-5-9(11)7(3)4-10(8)12;/h4-6,12H,11H2,1-3H3;1H",BBJYJPIOFSRDGI-UHFFFAOYSA-N,C10H16ClNO,201.69,201.0920418,,46.3,147,0,3,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-(2-HYDROXY-5-METHYLPHENYL)-",006375-17-3,292583,N-(2-hydroxy-5-methylphenyl)acetamide,CC1=CC(=C(C=C1)O)NC(=O)C,"InChI=1S/C9H11NO2/c1-6-3-4-9(12)8(5-6)10-7(2)11/h3-5,12H,1-2H3,(H,10,11)",DSEQJUPGRWESKP-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,1.4,49.3,170,0,2,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOIC ACID, 4-HYDROXY-, 3-METHYLBUTYL ESTER",006521-30-8,81009,3-methylbutyl 4-hydroxybenzoate,CC(C)CCOC(=O)C1=CC=C(C=C1)O,"InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-3-5-11(13)6-4-10/h3-6,9,13H,7-8H2,1-2H3",KSHVDKDQYBNSAN-UHFFFAOYSA-N,C12H16O3,208.25,208.1099444,3.8,46.5,193,0,1,3,5,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, 2-AMINO-4-CHLORO-5-METHYL-, MONOSODIUM SALT",006627-59-4,23687607,sodium 2-amino-4-chloro-5-methylbenzenesulfonate,CC1=CC(=C(C=C1Cl)N)S(=O)(=O)[O-].[Na+],"InChI=1S/C7H8ClNO3S.Na/c1-4-2-7(13(10,11)12)6(9)3-5(4)8;/h2-3H,9H2,1H3,(H,10,11,12);/q;+1/p-1",KMIGBVSYNVXBEI-UHFFFAOYSA-M,C7H7ClNNaO3S,243.64,242.9732862,,91.6,279,0,1,4,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANAMINE, N-(PHENYLMETHYLENE)-",006852-54-6,111239,N-ethyl-1-phenylmethanimine,CCN=CC1=CC=CC=C1,"InChI=1S/C9H11N/c1-2-10-8-9-6-4-3-5-7-9/h3-8H,2H2,1H3",IIVYBNBDIDWPQV-UHFFFAOYSA-N,C9H11N,133.19,133.0891494,1.9,12.4,101,0,0,1,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(2-HYDROXY-4-METHYLPHENYL)-",006921-64-8,81338,1-(2-hydroxy-4-methylphenyl)ethanone,CC1=CC(=C(C=C1)C(=O)C)O,"InChI=1S/C9H10O2/c1-6-3-4-8(7(2)10)9(11)5-6/h3-5,11H,1-2H3",LYKDOWJROLHYOT-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,2.2,37.3,154,0,1,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-SULFO-, MONOAMMONIUM SALT",006939-89-5,44630471,azanium 2-sulfobenzoate,C1=CC=C(C(=C1)C(=O)[O-])S(=O)(=O)O.[NH4+],"InChI=1S/C7H6O5S.H3N/c8-7(9)5-3-1-2-4-6(5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);1H3",PJGXSCHDOCZUNR-UHFFFAOYSA-N,C7H9NO5S,219.22,219.0201436,,104,283,0,2,5,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 4-CHLORO-5-METHYL-2-NITRO-",007147-89-9,23532,4-chloro-5-methyl-2-nitrophenol,CC1=CC(=C(C=C1Cl)[N+](=O)[O-])O,"InChI=1S/C7H6ClNO3/c1-4-2-7(10)6(9(11)12)3-5(4)8/h2-3,10H,1H3",JBMGJOKJUYGIJH-UHFFFAOYSA-N,C7H6ClNO3,187.58,187.0036207,2.9,66.1,182,0,1,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, (3,3-DIETHOXY-1-PROPENYL)-",007148-78-9,5356250,"[(E)-3,3-diethoxyprop-1-enyl]benzene",CCOC(/C=C/C1=CC=CC=C1)OCC,"InChI=1S/C13H18O2/c1-3-14-13(15-4-2)11-10-12-8-6-5-7-9-12/h5-11,13H,3-4H2,1-2H3/b11-10+",VYKDEWVAUWARRX-ZHACJKMWSA-N,C13H18O2,206.28,206.1306798,2.9,18.5,165,0,0,2,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, 2-AMINOBENZOATE",007149-26-0,23535,"3,7-dimethylocta-1,6-dien-3-yl 2-aminobenzoate",CC(=CCCC(C)(C=C)OC(=O)C1=CC=CC=C1N)C,"InChI=1S/C17H23NO2/c1-5-17(4,12-8-9-13(2)3)20-16(19)14-10-6-7-11-15(14)18/h5-7,9-11H,1,8,12,18H2,2-4H3",WHIJSULEEDNKPD-UHFFFAOYSA-N,C17H23NO2,273.37,273.172879,4.8,52.3,371,0,1,3,7,20,,370.00 to 371.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 4-(1,1-DIMETHYLETHYL)-1,2-DIMETHYL-",007397-06-0,81881,"4-tert-butyl-1,2-dimethylbenzene",CC1=C(C=C(C=C1)C(C)(C)C)C,"InChI=1S/C12H18/c1-9-6-7-11(8-10(9)2)12(3,4)5/h6-8H,1-5H3",QRPPSTNABSMSCS-UHFFFAOYSA-N,C12H18,162.27,162.1408506,4.3,0,141,0,0,0,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEXANAL, 2-(PHENYLMETHYLENE)-",007492-44-6,5385520,(2E)-2-benzylidenehexanal,CCCC/C(=C\C1=CC=CC=C1)/C=O,"InChI=1S/C13H16O/c1-2-3-7-13(11-14)10-12-8-5-4-6-9-12/h4-6,8-11H,2-3,7H2,1H3/b13-10+",GFBCBQNBXRPRQD-JLHYYAGUSA-N,C13H16O,188.26,188.1201151,3.7,17.1,187,0,0,1,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHENOL, 4-(1-METHYLETHOXY)-",007495-77-4,82001,4-propan-2-yloxyphenol,CC(C)OC1=CC=C(C=C1)O,"InChI=1S/C9H12O2/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7,10H,1-2H3",QEYQMWSESURNPP-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,2.6,29.5,104,0,1,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-METHYL-2-PROPENOIC ACID 2-PHENOXYETHYL ESTER,010595-06-9,66357,2-phenoxyethyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCOC1=CC=CC=C1,"InChI=1S/C12H14O3/c1-10(2)12(13)15-9-8-14-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3",CEXQWAAGPPNOQF-UHFFFAOYSA-N,C12H14O3,206.24,206.0942943,2.7,35.5,217,0,0,3,6,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,1,0,1
"1,2-BENZENEDICARBOXAMIDE, 4-NITRO-",013138-53-9,83167,"4-nitrobenzene-1,2-dicarboxamide",C1=CC(=C(C=C1[N+](=O)[O-])C(=O)N)C(=O)N,"InChI=1S/C8H7N3O4/c9-7(12)5-2-1-4(11(14)15)3-6(5)8(10)13/h1-3H,(H2,9,12)(H2,10,13)",XWCDSCYRIROFIO-UHFFFAOYSA-N,C8H7N3O4,209.16,209.0436557,-0.4,132,299,0,2,4,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BENZENEDICARBOXYLIC ACID, 5-NITRO-, DIMETHYL ESTER",013290-96-5,83316,"dimethyl 5-nitrobenzene-1,3-dicarboxylate",COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC,"InChI=1S/C10H9NO6/c1-16-9(12)6-3-7(10(13)17-2)5-8(4-6)11(14)15/h3-5H,1-2H3",GGTSJKFPGKFLCZ-UHFFFAOYSA-N,C10H9NO6,239.18,239.042987,1.9,98.4,299,0,0,6,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Urea, 3-(4-bromo-3-chlorophenyl)-1-methoxy-1-methyl-",013360-45-7,25912,3-(4-bromo-3-chlorophenyl)-1-methoxy-1-methylurea,CN(C(=O)NC1=CC(=C(C=C1)Br)Cl)OC,"InChI=1S/C9H10BrClN2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)",NLYNUTMZTCLNOO-UHFFFAOYSA-N,C9H10BrClN2O2,293.54,291.96142,3.1,41.6,230,0,1,2,2,15,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, [2,4-BIS(1,1-DIMETHYLPROPYL)PHENOXY]-",013402-96-5,83411,"2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetic acid",CCC(C)(C)C1=CC(=C(C=C1)OCC(=O)O)C(C)(C)CC,"InChI=1S/C18H28O3/c1-7-17(3,4)13-9-10-15(21-12-16(19)20)14(11-13)18(5,6)8-2/h9-11H,7-8,12H2,1-6H3,(H,19,20)",QXQMENSTZKYZCE-UHFFFAOYSA-N,C18H28O3,292.4,292.2038448,6.1,46.5,346,0,1,3,7,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZAMIDE, 4-BROMO-3,5-DIHYDROXY-",013429-12-4,83438,"4-bromo-3,5-dihydroxybenzamide",C1=C(C=C(C(=C1O)Br)O)C(=O)N,"InChI=1S/C7H6BrNO3/c8-6-4(10)1-3(7(9)12)2-5(6)11/h1-2,10-11H,(H2,9,12)",GCNIEGHLVCGBRA-UHFFFAOYSA-N,C7H6BrNO3,232.03,230.95311,0.8,83.6,175,0,3,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-PENTADIENAL, 5-PHENYL-",013466-40-5,114651,"5-phenylpenta-2,4-dienal",C1=CC=C(C=C1)C=CC=CC=O,InChI=1S/C11H10O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-10H,UWTZBVTWSKWXMN-UHFFFAOYSA-N,C11H10O,158.2,158.0731649,2.5,17.1,173,0,0,1,3,12,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEMETHANOL, 2-CHLORO-.ALPHA.-METHYL-",013524-04-4,26082,1-(2-chlorophenyl)ethanol,CC(C1=CC=CC=C1Cl)O,"InChI=1S/C8H9ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3",DDUBOVLGCYUYFX-UHFFFAOYSA-N,C8H9ClO,156.61,156.0341926,2.1,20.2,105,0,1,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEDIAZONIUM, 4-[ETHYL(2-HYDROXYETHYL)AMINO]-, CHLORIDE, COMPD.WITH ZINC C",013532-96-2,83556,dichlorozinc;4-[ethyl(2-hydroxyethyl)amino]benzenediazonium;chloride,CCN(CCO)C1=CC=C(C=C1)[N+]#N.[Cl-].Cl[Zn]Cl,"InChI=1S/C10H14N3O.3ClH.Zn/c1-2-13(7-8-14)10-5-3-9(12-11)4-6-10;;;;/h3-6,14H,2,7-8H2,1H3;3*1H;/q+1;;;;+2/p-3",FOZURDCUSZRTCY-UHFFFAOYSA-K,C10H14Cl3N3OZn,364,360.949387,,51.6,205,0,1,4,4,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETIC ACID, 4-HYDROXY-, METHYL ESTER",014199-15-6,518900,methyl 2-(4-hydroxyphenyl)acetate,COC(=O)CC1=CC=C(C=C1)O,"InChI=1S/C9H10O3/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5,10H,6H2,1H3",XGDZEDRBLVIUMX-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.5,46.5,148,0,1,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-(PENTYLOXY)-",015872-41-0,85153,4-pentoxybenzoic acid,CCCCCOC1=CC=C(C=C1)C(=O)O,"InChI=1S/C12H16O3/c1-2-3-4-9-15-11-7-5-10(6-8-11)12(13)14/h5-8H,2-4,9H2,1H3,(H,13,14)",OZPPUPJQRJYTNY-UHFFFAOYSA-N,C12H16O3,208.25,208.1099444,4.1,46.5,183,0,1,3,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINIUM, N,N,N-TRIMETHYL-, BROMIDE",016056-11-4,27663,trimethyl(phenyl)azanium bromide,C[N+](C)(C)C1=CC=CC=C1.[Br-],"InChI=1S/C9H14N.BrH/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1",GNMJFQWRASXXMS-UHFFFAOYSA-M,C9H14BrN,216.12,215.03096,,0,95,0,0,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BUTENEDIOIC ACID, 2-PHENYL-, (Z)-",016110-98-8,5851674,(Z)-2-phenylbut-2-enedioic acid,C1=CC=C(C=C1)/C(=C/C(=O)O)/C(=O)O,"InChI=1S/C10H8O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)/b8-6-",CQNPSIAJXGEDQS-VURMDHGXSA-N,C10H8O4,192.17,192.0422587,1.2,74.6,261,0,2,4,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-(4-NITROPHENOXY)-",016365-27-8,85381,2-(4-nitrophenoxy)ethanol,C1=CC(=CC=C1[N+](=O)[O-])OCCO,"InChI=1S/C8H9NO4/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4,10H,5-6H2",YAPAEYFBLRVUMH-UHFFFAOYSA-N,C8H9NO4,183.16,183.0531578,1.5,75.3,160,0,1,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 2-ETHOXY-4-NITRO-",016383-89-4,85386,2-ethoxy-4-nitroaniline,CCOC1=C(C=CC(=C1)[N+](=O)[O-])N,"InChI=1S/C8H10N2O3/c1-2-13-8-5-6(10(11)12)3-4-7(8)9/h3-5H,2,9H2,1H3",OWRHDQKCCXTFFE-UHFFFAOYSA-N,C8H10N2O3,182.18,182.0691422,1.8,81.1,181,0,1,4,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETIC ACID, 4-HYDROXY-, ETHYL ESTER",017138-28-2,28310,ethyl 2-(4-hydroxyphenyl)acetate,CCOC(=O)CC1=CC=C(C=C1)O,"InChI=1S/C10H12O3/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3",HYUPPKVFCGIMDB-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,1.9,46.5,160,0,1,3,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-(AZIDOSULFONYL)-",017202-49-2,86999,4-azidosulfonylbenzoic acid,C1=CC(=CC=C1C(=O)O)S(=O)(=O)N=[N+]=[N-],"InChI=1S/C7H5N3O4S/c8-9-10-15(13,14)6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)",OWULJVXJAZBQLL-UHFFFAOYSA-N,C7H5N3O4S,227.2,227.0000768,2,94.2,385,0,1,6,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZAMIDE, 3-AMINO-4-METHOXY-",017481-27-5,87135,3-amino-4-methoxybenzamide,COC1=C(C=C(C=C1)C(=O)N)N,"InChI=1S/C8H10N2O2/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,9H2,1H3,(H2,10,11)",INCJNDAQNPWMPZ-UHFFFAOYSA-N,C8H10N2O2,166.18,166.0742276,0.1,78.3,172,0,2,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 4-CHLORO-3-NITRO-, SODIUM SALT",017691-19-9,87246,sodium 4-chloro-3-nitrobenzenesulfonate,C1=CC(=C(C=C1S(=O)(=O)[O-])[N+](=O)[O-])Cl.[Na+],"InChI=1S/C6H4ClNO5S.Na/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10;/h1-3H,(H,11,12,13);/q;+1/p-1",POUGKTDTYSAMAT-UHFFFAOYSA-M,C6H3ClNNaO5S,259.6,258.9318153,,111,305,0,0,5,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-AMINO-, 1-METHYLETHYL ESTER",018189-02-1,87499,propan-2-yl 2-aminobenzoate,CC(C)OC(=O)C1=CC=CC=C1N,"InChI=1S/C10H13NO2/c1-7(2)13-10(12)8-5-3-4-6-9(8)11/h3-7H,11H2,1-2H3",XKOZHFJYXAQZJX-UHFFFAOYSA-N,C10H13NO2,179.22,179.0946287,2.7,52.3,180,0,1,3,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-AMINO-, DECYL ESTER",018189-07-6,87501,decyl 2-aminobenzoate,CCCCCCCCCCOC(=O)C1=CC=CC=C1N,"InChI=1S/C17H27NO2/c1-2-3-4-5-6-7-8-11-14-20-17(19)15-12-9-10-13-16(15)18/h9-10,12-13H,2-8,11,14,18H2,1H3",NMXZJPNAJUDMAC-UHFFFAOYSA-N,C17H27NO2,277.4,277.2041791,6.7,52.3,255,0,1,3,11,20,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENETHIOL, 3,4-DIMETHYL-",018800-53-8,87799,"3,4-dimethylbenzenethiol",CC1=C(C=C(C=C1)S)C,"InChI=1S/C8H10S/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3",IDKCKPBAFOIONK-UHFFFAOYSA-N,C8H10S,138.23,138.0503215,3.3,1,90,0,1,1,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZAMIDE, 3-AMINO-4-CHLORO-",019694-10-1,88200,3-amino-4-chlorobenzamide,C1=CC(=C(C=C1C(=O)N)N)Cl,"InChI=1S/C7H7ClN2O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H2,10,11)",QHMDKGRWJVOUFU-UHFFFAOYSA-N,C7H7ClN2O,170.59,170.0246905,1.2,69.1,163,0,2,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-(DIMETHYLAMINO)-, 3-METHYLBUTYL ESTER",021245-01-2,88836,3-methylbutyl 4-(dimethylamino)benzoate,CC(C)CCOC(=O)C1=CC=C(C=C1)N(C)C,"InChI=1S/C14H21NO2/c1-11(2)9-10-17-14(16)12-5-7-13(8-6-12)15(3)4/h5-8,11H,9-10H2,1-4H3",OFSAUHSCHWRZKM-UHFFFAOYSA-N,C14H21NO2,235.32,235.1572289,4.3,29.5,230,0,0,3,6,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 2-BROMO-1-METHOXY-4-METHYL-",022002-45-5,89143,2-bromo-1-methoxy-4-methylbenzene,CC1=CC(=C(C=C1)OC)Br,"InChI=1S/C8H9BrO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,1-2H3",DHPUIKWBNXTXOB-UHFFFAOYSA-N,C8H9BrO,201.06,199.98368,3.1,9.2,105,0,0,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEPROPANOIC ACID, 4-METHOXY-.BETA.-OXO-, METHYL ESTER",022027-50-5,2759699,methyl 3-(4-methoxyphenyl)-3-oxopropanoate,COC1=CC=C(C=C1)C(=O)CC(=O)OC,"InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-9)10(12)7-11(13)15-2/h3-6H,7H2,1-2H3",VXXOASOINNOPGR-UHFFFAOYSA-N,C11H12O4,208.21,208.0735589,1.6,52.6,229,0,0,4,5,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONAMIDE, 4-AMINO-3,5-DICHLORO-",022134-75-4,89607,"4-amino-3,5-dichlorobenzenesulfonamide",C1=C(C=C(C(=C1Cl)N)Cl)S(=O)(=O)N,"InChI=1S/C6H6Cl2N2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)",DVZMRTJKNJKEGV-UHFFFAOYSA-N,C6H6Cl2N2O2S,241.09,239.952704,1.6,94.6,265,0,2,4,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETIC ACID, .ALPHA.-METHYLENE-, ETHYL ESTER",022286-82-4,89651,ethyl 2-phenylprop-2-enoate,CCOC(=O)C(=C)C1=CC=CC=C1,"InChI=1S/C11H12O2/c1-3-13-11(12)9(2)10-7-5-4-6-8-10/h4-8H,2-3H2,1H3",BOIWYTYYWPXGAT-UHFFFAOYSA-N,C11H12O2,176.21,176.0837296,2.7,26.3,190,0,0,2,4,13,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BENZENEDICARBOXYLIC ACID, 5-SULFO-",022326-31-4,80714,"5-sulfobenzene-1,3-dicarboxylic acid",C1=C(C=C(C=C1C(=O)O)S(=O)(=O)O)C(=O)O,"InChI=1S/C8H6O7S/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h1-3H,(H,9,10)(H,11,12)(H,13,14,15)",CARJPEPCULYFFP-UHFFFAOYSA-N,C8H6O7S,246.2,245.9834237,-0.3,137,371,0,3,7,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANOIC ACID, 2-METHYL-, 3-(BENZOYLOXY)-2,2,4-TRIMETHYLPENTYL ESTER",022527-63-5,90798,"[2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] benzoate",CC(C)C(C(C)(C)COC(=O)C(C)C)OC(=O)C1=CC=CC=C1,"InChI=1S/C19H28O4/c1-13(2)16(19(5,6)12-22-17(20)14(3)4)23-18(21)15-10-8-7-9-11-15/h7-11,13-14,16H,12H2,1-6H3",FFSJSGNXYKUSCQ-UHFFFAOYSA-N,C19H28O4,320.4,320.1987594,5.3,52.6,392,0,0,4,9,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"BENZOIC ACID, 2-HYDROXY-3,5-DINITRO-, METHYL ESTER",022633-33-6,89779,"methyl 2-hydroxy-3,5-dinitrobenzoate",COC(=O)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O,"InChI=1S/C8H6N2O7/c1-17-8(12)5-2-4(9(13)14)3-6(7(5)11)10(15)16/h2-3,11H,1H3",UMELTKSLWXJXNZ-UHFFFAOYSA-N,C8H6N2O7,242.14,242.0175005,1.6,138,334,0,1,7,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETIC ACID, .ALPHA.-AMINO-4-HYDROXY-, (R)-",022818-40-2,89853,(2R)-2-amino-2-(4-hydroxyphenyl)acetic acid,C1=CC(=CC=C1[C@H](C(=O)O)N)O,"InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m1/s1",LJCWONGJFPCTTL-SSDOTTSWSA-N,C8H9NO3,167.16,167.0582431,-2.1,83.6,164,0,3,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BENZENEDICARBOXYLIC ACID, 5-NITRO-, MONOETHYL ESTER",022871-55-2,89872,3-ethoxycarbonyl-5-nitrobenzoic acid,CCOC(=O)C1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-],"InChI=1S/C10H9NO6/c1-2-17-10(14)7-3-6(9(12)13)4-8(5-7)11(15)16/h3-5H,2H2,1H3,(H,12,13)",HOYHBDFTELAGGG-UHFFFAOYSA-N,C10H9NO6,239.18,239.042987,1.9,109,323,0,1,6,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANAMIDE, N-(3-AMINOPHENYL)-",022987-10-6,89953,N-(3-aminophenyl)propanamide,CCC(=O)NC1=CC=CC(=C1)N,"InChI=1S/C9H12N2O/c1-2-9(12)11-8-5-3-4-7(10)6-8/h3-6H,2,10H2,1H3,(H,11,12)",VGDKCRMZIWPMPW-UHFFFAOYSA-N,C9H12N2O,164.2,164.094963,0.9,55.1,159,0,2,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BENZENEDICARBOXYLIC ACID, 5-CYANO-",023341-13-1,90070,"5-cyanobenzene-1,3-dicarboxylic acid",C1=C(C=C(C=C1C(=O)O)C(=O)O)C#N,"InChI=1S/C9H5NO4/c10-4-5-1-6(8(11)12)3-7(2-5)9(13)14/h1-3H,(H,11,12)(H,13,14)",YKADUTAIRWMMFI-UHFFFAOYSA-N,C9H5NO4,191.14,191.0218576,0.7,98.4,281,0,2,5,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"THIOPHANATE EHTYL [[1,2-PHENYLENEBIS(IMINOCARBONOTHIOYL)]BISCARBAMIC ACID DIET",023564-06-9,3032792,ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate,CCOC(=O)NC(=S)NC1=CC=CC=C1NC(=S)NC(=O)OCC,"InChI=1S/C14H18N4O4S2/c1-3-21-13(19)17-11(23)15-9-7-5-6-8-10(9)16-12(24)18-14(20)22-4-2/h5-8H,3-4H2,1-2H3,(H2,15,17,19,23)(H2,16,18,20,24)",YFNCATAIYKQPOO-UHFFFAOYSA-N,C14H18N4O4S2,370.5,370.0769474,3.3,165,434,0,4,6,6,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZAMIDE, 2,4-DIHYDROXY-N-(2-HYDROXYETHYL)-",024207-41-8,90408,"2,4-dihydroxy-N-(2-hydroxyethyl)benzamide",C1=CC(=C(C=C1O)O)C(=O)NCCO,"InChI=1S/C9H11NO4/c11-4-3-10-9(14)7-2-1-6(12)5-8(7)13/h1-2,5,11-13H,3-4H2,(H,10,14)",HHSJOVPBCHTADG-UHFFFAOYSA-N,C9H11NO4,197.19,197.0688078,0.7,89.8,197,0,4,4,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETALDEHYDE, .ALPHA.-2-PROPENYL-",024401-36-3,562563,2-phenylpent-4-enal,C=CCC(C=O)C1=CC=CC=C1,"InChI=1S/C11H12O/c1-2-6-11(9-12)10-7-4-3-5-8-10/h2-5,7-9,11H,1,6H2",PBWQZEMADHTUIF-UHFFFAOYSA-N,C11H12O,160.21,160.088815,2.5,17.1,145,0,0,1,4,12,,95.00 °C. @ 3.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-HYDRAZINO-, MONOHYDROCHLORIDE",024589-77-3,90547,4-hydrazinylbenzoic acid;hydrochloride,C1=CC(=CC=C1C(=O)O)NN.Cl,"InChI=1S/C7H8N2O2.ClH/c8-9-6-3-1-5(2-4-6)7(10)11;/h1-4,9H,8H2,(H,10,11);1H",XHLQMKQBCHYRLC-UHFFFAOYSA-N,C7H9ClN2O2,188.61,188.0352552,,75.4,141,0,4,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, 2-METHOXY-5-NITRO-",025016-02-8,90685,2-methoxy-5-nitrobenzaldehyde,COC1=C(C=C(C=C1)[N+](=O)[O-])C=O,"InChI=1S/C8H7NO4/c1-13-8-3-2-7(9(11)12)4-6(8)5-10/h2-5H,1H3",YWVSKFXYEWMHEO-UHFFFAOYSA-N,C8H7NO4,181.15,181.0375077,1.6,72.1,201,0,0,4,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANOIC ACID, 2-(2-CHLOROPHENOXY)-",025140-86-7,72862,2-(2-chlorophenoxy)propanoic acid,CC(C(=O)O)OC1=CC=CC=C1Cl,"InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,11,12)",ZGWNXHRVUJVMCP-UHFFFAOYSA-N,C9H9ClO3,200.62,200.0240218,2.8,46.5,184,0,1,3,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 2-BROMO-1,4-DIMETHOXY-",025245-34-5,91353,"2-bromo-1,4-dimethoxybenzene",COC1=CC(=C(C=C1)OC)Br,"InChI=1S/C8H9BrO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3",DWCGNRKFLRLWCJ-UHFFFAOYSA-N,C8H9BrO2,217.06,215.97859,2.8,18.5,119,0,0,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(2-AMINOPHENYL)-, HYDROCHLORIDE",025384-14-9,168362,1-(2-aminophenyl)ethanone;hydrochloride,CC(=O)C1=CC=CC=C1N.Cl,"InChI=1S/C8H9NO.ClH/c1-6(10)7-4-2-3-5-8(7)9;/h2-5H,9H2,1H3;1H",APTPPYQXBFFQHZ-UHFFFAOYSA-N,C8H10ClNO,171.62,171.0450916,,43.1,133,0,2,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIISODECYL PHENYL PHOSPHITE,025550-98-5,16212880,bis(8-methylnonyl) phenyl phosphite,CC(C)CCCCCCCOP(OCCCCCCCC(C)C)OC1=CC=CC=C1,"InChI=1S/C26H47O3P/c1-24(2)18-12-7-5-9-16-22-27-30(29-26-20-14-11-15-21-26)28-23-17-10-6-8-13-19-25(3)4/h11,14-15,20-21,24-25H,5-10,12-13,16-19,22-23H2,1-4H3",SXXILWLQSQDLDL-UHFFFAOYSA-N,C26H47O3P,438.6,438.3262824,10.3,27.7,332,0,0,3,20,30,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"BENZENEPENTANOL, .BETA.-METHYL-",025634-93-9,5463791,2-methyl-5-phenylpentan-1-ol,CC(CCCC1=CC=CC=C1)CO,"InChI=1S/C12H18O/c1-11(10-13)6-5-9-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3",DRTBYQJIHFSKDT-UHFFFAOYSA-N,C12H18O,178.27,178.1357652,3.2,20.2,116,0,1,1,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"UREA, (3-AMINOPHENYL)-",025711-72-2,108806,(3-aminophenyl)urea,C1=CC(=CC(=C1)NC(=O)N)N,"InChI=1S/C7H9N3O/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,8H2,(H3,9,10,11)",ZNXSFVXZQBETRJ-UHFFFAOYSA-N,C7H9N3O,151.17,151.0745619,0.7,81.1,149,0,3,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"BENZENEACETALDEHYDE, .ALPHA.-(2-METHYLPROPYLIDENE)-",026643-91-4,5363896,(Z)-4-methyl-2-phenylpent-2-enal,CC(C)/C=C(\C=O)/C1=CC=CC=C1,"InChI=1S/C12H14O/c1-10(2)8-12(9-13)11-6-4-3-5-7-11/h3-10H,1-2H3/b12-8+",ULRYRAHIBWLZKC-XYOKQWHBSA-N,C12H14O,174.24,174.1044651,2.9,17.1,185,0,0,1,3,13,,82.00 to 87.00 °C. @ 0.70 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZAMIDE, 4-HYDROXY-N-METHYL-",027642-27-9,119691,4-hydroxy-N-methylbenzamide,CNC(=O)C1=CC=C(C=C1)O,"InChI=1S/C8H9NO2/c1-9-8(11)6-2-4-7(10)5-3-6/h2-5,10H,1H3,(H,9,11)",VKDNYQKDAXLFIL-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,0.8,49.3,139,0,2,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BENZENEDICARBOXYLIC ACID, MONO[2-[(2-METHYL-1-OXO-2-PROPENYL)OXY]ETHYL] ES",027697-00-3,3709580,2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid,CC(=C)C(=O)OCCOC(=O)C1=CC=CC=C1C(=O)O,"InChI=1S/C14H14O6/c1-9(2)13(17)19-7-8-20-14(18)11-6-4-3-5-10(11)12(15)16/h3-6H,1,7-8H2,2H3,(H,15,16)",FIQBJLHOPOSODG-UHFFFAOYSA-N,C14H14O6,278.26,278.0790382,2.2,89.9,400,0,1,6,8,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHENOL, 3,5-DIPROPOXY-",028334-99-8,119929,"3,5-dipropoxyphenol",CCCOC1=CC(=CC(=C1)O)OCCC,"InChI=1S/C12H18O3/c1-3-5-14-11-7-10(13)8-12(9-11)15-6-4-2/h7-9,13H,3-6H2,1-2H3",SHZCHGMKOUMNAW-UHFFFAOYSA-N,C12H18O3,210.27,210.1255944,3.3,38.7,145,0,1,3,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONOTHIOIC ACID, 4-METHYL-, POTASSIUM SALT",028519-50-8,23662126,potassium (4-methylphenyl)-oxido-oxo-sulfanylidene-lambda6-sulfane,CC1=CC=C(C=C1)S(=O)(=S)[O-].[K+],"InChI=1S/C7H8O2S2.K/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+1/p-1",RUDNWZFWWJFUSF-UHFFFAOYSA-M,C7H7KO2S2,226.4,225.9524533,,80.6,228,0,0,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SULFONIUM, [(2-HYDROXY-5-NITROPHENYL)METHYL]DIMETHYL-, BROMIDE",028611-73-6,3035249,(2-hydroxy-5-nitrophenyl)methyl-dimethylsulfanium bromide,C[S+](C)CC1=C(C=CC(=C1)[N+](=O)[O-])O.[Br-],"InChI=1S/C9H11NO3S.BrH/c1-14(2)6-7-5-8(10(12)13)3-4-9(7)11;/h3-5H,6H2,1-2H3;1H",VEGVMTIJKACZGO-UHFFFAOYSA-N,C9H12BrNO3S,294.17,292.97213,,67.1,205,0,1,4,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BENZENEDICARBOXYLIC ACID, MONO[2-[(1-OXO-2-PROPENYL)OXY]ETHYL] ESTER",030697-40-6,121743,2-(2-prop-2-enoyloxyethoxycarbonyl)benzoic acid,C=CC(=O)OCCOC(=O)C1=CC=CC=C1C(=O)O,"InChI=1S/C13H12O6/c1-2-11(14)18-7-8-19-13(17)10-6-4-3-5-9(10)12(15)16/h2-6H,1,7-8H2,(H,15,16)",RKYJPYDJNQXILT-UHFFFAOYSA-N,C13H12O6,264.23,264.0633881,1.6,89.9,362,0,1,6,8,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"BENZENEMETHANOL, 3-CHLORO-.ALPHA.,.ALPHA.-DIMETHYL-",031002-87-6,593110,2-(3-chlorophenyl)propan-2-ol,CC(C)(C1=CC(=CC=C1)Cl)O,"InChI=1S/C9H11ClO/c1-9(2,11)7-4-3-5-8(10)6-7/h3-6,11H,1-2H3",HCPZQCJXGLSMEV-UHFFFAOYSA-N,C9H11ClO,170.63,170.0498427,2.6,20.2,134,0,1,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-METHYL-, 4-HYDROXYPHENYL ESTER",031480-93-0,93152,(4-hydroxyphenyl) 2-methylprop-2-enoate,CC(=C)C(=O)OC1=CC=C(C=C1)O,"InChI=1S/C10H10O3/c1-7(2)10(12)13-9-5-3-8(11)4-6-9/h3-6,11H,1H2,2H3",PJMXUSNWBKGQEZ-UHFFFAOYSA-N,C10H10O3,178.18,178.0629942,2.3,46.5,202,0,1,3,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, 4-(BROMOMETHYL)-, SODIUM SALT",032014-22-5,23688951,sodium 4-(bromomethyl)benzenesulfonate,C1=CC(=CC=C1CBr)S(=O)(=O)[O-].[Na+],"InChI=1S/C7H7BrO3S.Na/c8-5-6-1-3-7(4-2-6)12(9,10)11;/h1-4H,5H2,(H,9,10,11);/q;+1/p-1",VUIRTEIRZXTTPR-UHFFFAOYSA-M,C7H6BrNaO3S,273.08,271.91187,,65.6,229,0,0,3,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 3,5-DIAMINO-2,4,6-TRIMETHYL-",032432-55-6,94430,"3,5-diamino-2,4,6-trimethylbenzenesulfonic acid",CC1=C(C(=C(C(=C1N)C)S(=O)(=O)O)C)N,"InChI=1S/C9H14N2O3S/c1-4-7(10)5(2)9(15(12,13)14)6(3)8(4)11/h10-11H2,1-3H3,(H,12,13,14)",PKKGGWLTUCMSSD-UHFFFAOYSA-N,C9H14N2O3S,230.29,230.0725135,0.4,115,309,0,3,5,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, (2,2-DIETHOXYETHOXY)-",032438-31-6,96328,"2,2-diethoxyethoxybenzene",CCOC(COC1=CC=CC=C1)OCC,"InChI=1S/C12H18O3/c1-3-13-12(14-4-2)10-15-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3",IISGAJPGMKEIAZ-UHFFFAOYSA-N,C12H18O3,210.27,210.1255944,2.5,27.7,138,0,0,3,7,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 3-(3-BROMOPHENYL)-",032862-97-8,776461,(E)-3-(3-bromophenyl)prop-2-enoic acid,C1=CC(=CC(=C1)Br)/C=C/C(=O)O,"InChI=1S/C9H7BrO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4+",YEMUSDCFQUBPAL-SNAWJCMRSA-N,C9H7BrO2,227.05,225.96294,2.6,37.3,189,0,1,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 4-PENTYL-",033228-44-3,93162,4-pentylaniline,CCCCCC1=CC=C(C=C1)N,"InChI=1S/C11H17N/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5,12H2,1H3",DGFTWBUZRHAHTH-UHFFFAOYSA-N,C11H17N,163.26,163.1360995,3.4,26,104,0,1,1,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEMETHANAMINIUM, N,N-BIS(2-HYDROXYETHYL)-N-METHYL-, HYDROXIDE",033667-49-1,118526,benzyl-bis(2-hydroxyethyl)-methylazanium hydroxide,C[N+](CCO)(CCO)CC1=CC=CC=C1.[OH-],"InChI=1S/C12H20NO2.H2O/c1-13(7-9-14,8-10-15)11-12-5-3-2-4-6-12;/h2-6,14-15H,7-11H2,1H3;1H2/q+1;/p-1",ZHRRAVIVNPZSEW-UHFFFAOYSA-M,C12H21NO3,227.3,227.1521435,,41.5,161,0,3,3,6,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZALDEHYDE, 4-(1,1,2,2-TETRAFLUOROETHOXY)-",035295-36-4,118804,"4-(1,1,2,2-tetrafluoroethoxy)benzaldehyde",C1=CC(=CC=C1C=O)OC(C(F)F)(F)F,"InChI=1S/C9H6F4O2/c10-8(11)9(12,13)15-7-3-1-6(5-14)2-4-7/h1-5,8H",ZTBIQWAGWYPSHC-UHFFFAOYSA-N,C9H6F4O2,222.14,222.0303921,3,26.3,212,0,0,6,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, (1-METHYLETHYL)-, AMMONIUM SALT",037475-88-0,161945,azanium 2-propan-2-ylbenzenesulfonate,CC(C)C1=CC=CC=C1S(=O)(=O)[O-].[NH4+],"InChI=1S/C9H12O3S.H3N/c1-7(2)8-5-3-4-6-9(8)13(10,11)12;/h3-7H,1-2H3,(H,10,11,12);1H3",LUAVFCBYZUMYCE-UHFFFAOYSA-N,C9H15NO3S,217.29,217.0772645,,66.6,237,0,1,3,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-BUTENOIC ACID, 2-METHYL-, PHENYLMETHYL ESTER, (E)-",037526-88-8,250096,benzyl (E)-2-methylbut-2-enoate,C/C=C(\C)/C(=O)OCC1=CC=CC=C1,"InChI=1S/C12H14O2/c1-3-10(2)12(13)14-9-11-7-5-4-6-8-11/h3-8H,9H2,1-2H3/b10-3+",QRGSTISKDZCDHV-XCVCLJGOSA-N,C12H14O2,190.24,190.0993797,2.8,26.3,212,0,0,2,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BUTENOIC ACID, 3-METHYL-, PHENYLMETHYL ESTER",037526-89-9,162264,benzyl 3-methylbut-2-enoate,CC(=CC(=O)OCC1=CC=CC=C1)C,"InChI=1S/C12H14O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3",WRUBNJSGJHOHJF-UHFFFAOYSA-N,C12H14O2,190.24,190.0993797,3.4,26.3,208,0,0,2,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(4-HEXYLPHENYL)-",037592-72-6,123462,1-(4-hexylphenyl)ethanone,CCCCCCC1=CC=C(C=C1)C(=O)C,"InChI=1S/C14H20O/c1-3-4-5-6-7-13-8-10-14(11-9-13)12(2)15/h8-11H,3-7H2,1-2H3",WWBVHJKFJZBRSO-UHFFFAOYSA-N,C14H20O,204.31,204.1514153,4.3,17.1,178,0,0,1,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
".ALPHA.-PHENYL-.OMEGA.-HYDROXYPOLY(OXY-1,2-ETHANEDIYL), PHOSPHATE",039464-70-5,62906,2-phenoxyethanol;phosphoric acid,C1=CC=C(C=C1)OCCO.OP(=O)(O)O,"InChI=1S/C8H10O2.H3O4P/c9-6-7-10-8-4-2-1-3-5-8;1-5(2,3)4/h1-5,9H,6-7H2;(H3,1,2,3,4)",WUSMTFVMXOQYCT-UHFFFAOYSA-N,C8H13O6P,236.16,236.0449751,,107,127,0,4,6,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENAMINIUM, 4-FLUORO-N,N,N-TRIMETHYL-3-NITRO-, IODIDE",039508-27-5,170215,(4-fluoro-3-nitrophenyl)-trimethylazanium iodide,C[N+](C)(C)C1=CC(=C(C=C1)F)[N+](=O)[O-].[I-],"InChI=1S/C9H12FN2O2.HI/c1-12(2,3)7-4-5-8(10)9(6-7)11(13)14;/h4-6H,1-3H3;1H/q+1;/p-1",QVAYBTQAQYWEOZ-UHFFFAOYSA-M,C9H12FIN2O2,326.11,325.99275,,45.8,222,0,0,4,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 6-AMINO-2,4-DICHLORO-3-METHYL-, HYDROCHLORIDE",039549-31-0,170223,"6-amino-2,4-dichloro-3-methylphenol;hydrochloride",CC1=C(C=C(C(=C1Cl)O)N)Cl.Cl,"InChI=1S/C7H7Cl2NO.ClH/c1-3-4(8)2-5(10)7(11)6(3)9;/h2,11H,10H2,1H3;1H",ZOQYQHLEDJOHOK-UHFFFAOYSA-N,C7H8Cl3NO,228.5,226.967147,,46.3,144,0,3,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 3-(ACETYLAMINO)-5-AMINO-4-HYDROXY-",040306-75-0,99501,3-acetamido-5-amino-4-hydroxybenzenesulfonic acid,CC(=O)NC1=CC(=CC(=C1O)N)S(=O)(=O)O,"InChI=1S/C8H10N2O5S/c1-4(11)10-7-3-5(16(13,14)15)2-6(9)8(7)12/h2-3,12H,9H2,1H3,(H,10,11)(H,13,14,15)",SFUJTLIHMWZDTL-UHFFFAOYSA-N,C8H10N2O5S,246.24,246.0310426,-1.2,138,363,0,4,6,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 6-AMINO-2,4-DICHLORO-3-METHYL-",040677-44-9,170224,"6-amino-2,4-dichloro-3-methylphenol",CC1=C(C=C(C(=C1Cl)O)N)Cl,"InChI=1S/C7H7Cl2NO/c1-3-4(8)2-5(10)7(11)6(3)9/h2,11H,10H2,1H3",QDOGSLSGLUTSQL-UHFFFAOYSA-N,C7H7Cl2NO,192.04,190.9904692,2.5,46.3,144,0,2,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEPROPANAL, .ALPHA.,4-DIMETHYL-",041496-43-9,95594,2-methyl-3-(4-methylphenyl)propanal,CC1=CC=C(C=C1)CC(C)C=O,"InChI=1S/C11H14O/c1-9-3-5-11(6-4-9)7-10(2)8-12/h3-6,8,10H,7H2,1-2H3",SGVBCLGVIOFAFT-UHFFFAOYSA-N,C11H14O,162.23,162.1044651,2.6,17.1,134,0,0,1,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-[(3-NITROPHENYL)SULFONYL]ETHANOL,041687-30-3,170561,2-(3-nitrophenyl)sulfonylethanol,C1=CC(=CC(=C1)S(=O)(=O)CCO)[N+](=O)[O-],"InChI=1S/C8H9NO5S/c10-4-5-15(13,14)8-3-1-2-7(6-8)9(11)12/h1-3,6,10H,4-5H2",VMORQDKKMBAQPJ-UHFFFAOYSA-N,C8H9NO5S,231.23,231.0201436,-0.2,109,315,0,1,5,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-BENZENEDICARBOXYLIC ACID, MONOMETHYL ESTER, POTASSIUM SALT",042967-55-5,23683753,potassium 4-methoxycarbonylbenzoate,COC(=O)C1=CC=C(C=C1)C(=O)[O-].[K+],"InChI=1S/C9H8O4.K/c1-13-9(12)7-4-2-6(3-5-7)8(10)11;/h2-5H,1H3,(H,10,11);/q;+1/p-1",DWNDFZTVSFSFTB-UHFFFAOYSA-M,C9H7KO4,218.25,217.9981402,,66.4,209,0,0,4,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETAMIDE, N-(4-AMINOPHENYL)-, MONOHYDROCHLORIDE",043036-07-3,170722,N-(4-aminophenyl)acetamide;hydrochloride,CC(=O)NC1=CC=C(C=C1)N.Cl,"InChI=1S/C8H10N2O.ClH/c1-6(11)10-8-4-2-7(9)3-5-8;/h2-5H,9H2,1H3,(H,10,11);1H",JWCADJJPGAITCH-UHFFFAOYSA-N,C8H11ClN2O,186.64,186.0559907,,55.1,139,0,3,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-[2-[(2-METHYL-1-OXO-2-PROPENYL)OXY]ETHYL]",046917-07-1,94530,benzyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride,CC(=C)C(=O)OCC[N+](C)(C)CC1=CC=CC=C1.[Cl-],"InChI=1S/C15H22NO2.ClH/c1-13(2)15(17)18-11-10-16(3,4)12-14-8-6-5-7-9-14;/h5-9H,1,10-12H2,2-4H3;1H/q+1;/p-1",CRGOPMLUWCMMCK-UHFFFAOYSA-M,C15H22ClNO2,283.79,283.1339066,,26.3,291,0,0,3,7,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"BENZALDEHYDE, 4-(1-OXOPROPOXY)-",050262-48-1,123519,(4-formylphenyl) propanoate,CCC(=O)OC1=CC=C(C=C1)C=O,"InChI=1S/C10H10O3/c1-2-10(12)13-9-5-3-8(7-11)4-6-9/h3-7H,2H2,1H3",NKXPJXVTMWLHBC-UHFFFAOYSA-N,C10H10O3,178.18,178.0629942,1.6,43.4,181,0,0,3,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETAMIDE, N-(4-METHOXY-3-NITROPHENYL)-",050651-39-3,95043,N-(4-methoxy-3-nitrophenyl)acetamide,CC(=O)NC1=CC(=C(C=C1)OC)[N+](=O)[O-],"InChI=1S/C9H10N2O4/c1-6(12)10-7-3-4-9(15-2)8(5-7)11(13)14/h3-5H,1-2H3,(H,10,12)",MYIUWCZXTNZSMN-UHFFFAOYSA-N,C9H10N2O4,210.19,210.0640568,1,84.2,251,0,1,4,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"BUTANOIC ACID, 4-[2,4-BIS(1,1-DIMETHYLPROPYL)PHENOXY]-",050772-35-5,170898,"4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoic acid",CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)O)C(C)(C)CC,"InChI=1S/C20H32O3/c1-7-19(3,4)15-11-12-17(23-13-9-10-18(21)22)16(14-15)20(5,6)8-2/h11-12,14H,7-10,13H2,1-6H3,(H,21,22)",LZSDVFDKDUZVFK-UHFFFAOYSA-N,C20H32O3,320.5,320.2351449,6.2,46.5,373,0,1,3,9,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-BROMO-4,5-DIMETHOXY-2-NITRO-",051072-66-3,170968,"1-bromo-4,5-dimethoxy-2-nitrobenzene",COC1=C(C=C(C(=C1)[N+](=O)[O-])Br)OC,"InChI=1S/C8H8BrNO4/c1-13-7-3-5(9)6(10(11)12)4-8(7)14-2/h3-4H,1-2H3",DGUDEQARXVYDBS-UHFFFAOYSA-N,C8H8BrNO4,262.06,260.96367,2.4,64.3,208,0,0,4,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEXANOIC ACID, 2-ETHYL-, COMPD. WITH 2,4,6-TRIS[(DIMETHYLAMINO)METHYL]PHENOL",051365-70-9,92335,"2-ethylhexanoic acid;2,4,6-tris[(dimethylamino)methyl]phenol",CCCCC(CC)C(=O)O.CN(C)CC1=CC(=C(C(=C1)CN(C)C)O)CN(C)C,"InChI=1S/C15H27N3O.C8H16O2/c1-16(2)9-12-7-13(10-17(3)4)15(19)14(8-12)11-18(5)6;1-3-5-6-7(4-2)8(9)10/h7-8,19H,9-11H2,1-6H3;7H,3-6H2,1-2H3,(H,9,10)",KKQQXMRXGMYUPG-UHFFFAOYSA-N,C23H43N3O3,409.6,409.3304422,,67.3,335,0,2,6,11,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEETHANOL, 3-NITRO-",052022-77-2,104058,2-(3-nitrophenyl)ethanol,C1=CC(=CC(=C1)[N+](=O)[O-])CCO,"InChI=1S/C8H9NO3/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,6,10H,4-5H2",PWZWTSYUZQZFKE-UHFFFAOYSA-N,C8H9NO3,167.16,167.0582431,1.6,66.1,155,0,1,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, 2-[(4-METHYLPHENYL)SULFONYL]-",052345-47-8,104164,2-(4-methylphenyl)sulfonylacetamide,CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N,"InChI=1S/C9H11NO3S/c1-7-2-4-8(5-3-7)14(12,13)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)",ACGVKXZPAUDGMM-UHFFFAOYSA-N,C9H11NO3S,213.26,213.0459644,0.5,85.6,297,0,1,3,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-HYDRAZINO-, MONOHYDROCHLORIDE",052356-01-1,104169,2-hydrazinylbenzoic acid;hydrochloride,C1=CC=C(C(=C1)C(=O)O)NN.Cl,"InChI=1S/C7H8N2O2.ClH/c8-9-6-4-2-1-3-5(6)7(10)11;/h1-4,9H,8H2,(H,10,11);1H",ZGNNOFKURIXXRF-UHFFFAOYSA-N,C7H9ClN2O2,188.61,188.0352552,,75.4,149,0,4,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 2-(1-METHYLETHENYL)-",052562-19-3,96494,2-prop-1-en-2-ylaniline,CC(=C)C1=CC=CC=C1N,"InChI=1S/C9H11N/c1-7(2)8-5-3-4-6-9(8)10/h3-6H,1,10H2,2H3",HEDYZFYQYPWWCC-UHFFFAOYSA-N,C9H11N,133.19,133.0891494,2.6,26,129,0,1,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethyl alcohol, 4-amino-alpha-(tert-butylamino)-3-chloro-5-(trifluoromethyl",054240-36-7,6917754,1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;hydrochloride,CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)C(F)(F)F)O.Cl,"InChI=1S/C13H18ClF3N2O.ClH/c1-12(2,3)19-6-10(20)7-4-8(13(15,16)17)11(18)9(14)5-7;/h4-5,10,19-20H,6,18H2,1-3H3;1H",MMCDXJOMPMIKGP-UHFFFAOYSA-N,C13H19Cl2F3N2O,347.2,346.0826531,,58.3,320,0,4,6,4,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, N-ETHYL-N-(2-METHYL-2-PROPENYL)-2,6-DINITRO-4-(TRIFLUOROMETHYL)-",055283-68-6,41381,"N-ethyl-N-(2-methylprop-2-enyl)-2,6-dinitro-4-(trifluoromethyl)aniline",CCN(CC(=C)C)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],"InChI=1S/C13H14F3N3O4/c1-4-17(7-8(2)3)12-10(18(20)21)5-9(13(14,15)16)6-11(12)19(22)23/h5-6H,2,4,7H2,1,3H3",PTFJIKYUEPWBMS-UHFFFAOYSA-N,C13H14F3N3O4,333.26,333.0936404,5.1,94.9,449,0,0,8,4,23,,Decomposes at 256 °C,1,0,1,0,0,1,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"1,2-BENZENEDICARBOXYLIC ACID, 4,5-DICHLORO-",056962-08-4,92600,"4,5-dichlorophthalic acid",C1=C(C(=CC(=C1Cl)Cl)C(=O)O)C(=O)O,"InChI=1S/C8H4Cl2O4/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h1-2H,(H,11,12)(H,13,14)",FDOQKGWUMUEJLX-UHFFFAOYSA-N,C8H4Cl2O4,235.02,233.948664,2.2,74.6,230,0,2,4,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(S-(R*,S*))-N-(3-AMINO-2-HYDROXY-1-OXO-4-PHENYLBUTYL)-L-LEUCINE",058970-76-6,72172,"(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid",CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1)N)O,"InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1",VGGGPCQERPFHOB-RDBSUJKOSA-N,C16H24N2O4,308.37,308.1736073,-1,113,367,0,4,5,8,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"GLYCINE, N-(CARBOXYMETHYL)-N-[2-[(2,6-DIMETHYLPHENYL)AMINO]-2-OXOETHYL]-",059160-29-1,42963,"2-[carboxymethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]acetic acid",CC1=C(C(=CC=C1)C)NC(=O)CN(CC(=O)O)CC(=O)O,"InChI=1S/C14H18N2O5/c1-9-4-3-5-10(2)14(9)15-11(17)6-16(7-12(18)19)8-13(20)21/h3-5H,6-8H2,1-2H3,(H,15,17)(H,18,19)(H,20,21)",DJQJFMSHHYAZJD-UHFFFAOYSA-N,C14H18N2O5,294.3,294.1215717,-1.6,107,373,0,3,6,7,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"COPPER, HYDROXY(2-HYDROXYBENZOATO-O1,O2)-",062320-94-9,86278644,"copper;2,3-dihydroxybenzoic acid",C1=CC(=C(C(=C1)O)O)C(=O)O.[Cu],"InChI=1S/C7H6O4.Cu/c8-5-3-1-2-4(6(5)9)7(10)11;/h1-3,8-9H,(H,10,11);",YBGDZLOQBFOMHE-UHFFFAOYSA-N,C7H6CuO4,217.67,216.956206,,77.8,161,0,3,4,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEMETHANOL, 2,4-DIMETHYL-, ACETATE",062346-96-7,94602,"(2,4-dimethylphenyl)methyl acetate",CC1=CC(=C(C=C1)COC(=O)C)C,"InChI=1S/C11H14O2/c1-8-4-5-11(9(2)6-8)7-13-10(3)12/h4-6H,7H2,1-3H3",IRJIWPLWQGRUAY-UHFFFAOYSA-N,C11H14O2,178.23,178.0993797,2.3,26.3,177,0,0,2,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,2-BENZENEDIAMINE, 4-CHLORO-N1-ETHYL-",062476-15-7,112845,"4-chloro-1-N-ethylbenzene-1,2-diamine",CCNC1=C(C=C(C=C1)Cl)N,"InChI=1S/C8H11ClN2/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5,11H,2,10H2,1H3",BYXHQRLOVDLFCT-UHFFFAOYSA-N,C8H11ClN2,170.64,170.0610761,2.2,38.1,119,0,2,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 2,4,5-TRICHLORO-, POTASSIUM SALT",062625-17-6,23692292,"potassium 2,4,5-trichlorobenzenesulfonate",C1=C(C(=CC(=C1Cl)Cl)Cl)S(=O)(=O)[O-].[K+],"InChI=1S/C6H3Cl3O3S.K/c7-3-1-5(9)6(2-4(3)8)13(10,11)12;/h1-2H,(H,10,11,12);/q;+1/p-1",DRPLRPSXUUSFOB-UHFFFAOYSA-M,C6H2Cl3KO3S,299.6,297.84273,,65.6,279,0,0,3,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-BENZENEDIAMINE, ETHANEDIOATE (1:1)",062654-17-5,44111,"benzene-1,4-diamine;oxalic acid",C1=CC(=CC=C1N)N.C(=O)(C(=O)O)O,"InChI=1S/C6H8N2.C2H2O4/c7-5-1-2-6(8)4-3-5;3-1(4)2(5)6/h1-4H,7-8H2;(H,3,4)(H,5,6)",JBLFIYDHGYMNEJ-UHFFFAOYSA-N,C8H10N2O4,198.18,198.0640568,,127,126,0,4,6,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 4,5-DICHLORO-N-ETHYL-2-NITRO-",063059-56-3,112998,"4,5-dichloro-N-ethyl-2-nitroaniline",CCNC1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl,"InChI=1S/C8H8Cl2N2O2/c1-2-11-7-3-5(9)6(10)4-8(7)12(13)14/h3-4,11H,2H2,1H3",IYHKPJYDDKJPLJ-UHFFFAOYSA-N,C8H8Cl2N2O2,235.06,233.9962829,3.8,57.9,210,0,1,3,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HYDRAZINECARBOXALDEHYDE, 2-(4-AMINOPHENYL)-",063402-26-6,113189,N-(4-aminoanilino)formamide,C1=CC(=CC=C1N)NNC=O,"InChI=1S/C7H9N3O/c8-6-1-3-7(4-2-6)10-9-5-11/h1-5,10H,8H2,(H,9,11)",JIJNOXGGMCEUMF-UHFFFAOYSA-N,C7H9N3O,151.17,151.0745619,0.7,67.2,121,0,3,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-AMINO-, METHYL ESTER, HYDROCHLORIDE",063450-84-0,113217,methyl 4-aminobenzoate;hydrochloride,COC(=O)C1=CC=C(C=C1)N.Cl,"InChI=1S/C8H9NO2.ClH/c1-11-8(10)6-2-4-7(9)5-3-6;/h2-5H,9H2,1H3;1H",UMLFQRYMOHDCCK-UHFFFAOYSA-N,C8H10ClNO2,187.62,187.0400063,,52.3,139,0,2,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANOIC ACID, 3-[(4-NITROPHENYL)HYDRAZONO]-, ETHYL ESTER",063467-28-7,113259,ethyl 3-[(4-nitrophenyl)hydrazinylidene]butanoate,CCOC(=O)CC(=NNC1=CC=C(C=C1)[N+](=O)[O-])C,"InChI=1S/C12H15N3O4/c1-3-19-12(16)8-9(2)13-14-10-4-6-11(7-5-10)15(17)18/h4-7,14H,3,8H2,1-2H3",DNYHQQPGIDWVRQ-UHFFFAOYSA-N,C12H15N3O4,265.26,265.106256,2.3,96.5,343,0,1,6,6,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 4-(2-BROMOETHYL)-, SODIUM SALT",065036-65-9,23677320,sodium 4-(2-bromoethyl)benzenesulfonate,C1=CC(=CC=C1CCBr)S(=O)(=O)[O-].[Na+],"InChI=1S/C8H9BrO3S.Na/c9-6-5-7-1-3-8(4-2-7)13(10,11)12;/h1-4H,5-6H2,(H,10,11,12);/q;+1/p-1",ZFGDZMNLHTUEAV-UHFFFAOYSA-M,C8H8BrNaO3S,287.11,285.92752,,65.6,242,0,0,3,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,2-BENZENEDICARBOXYLIC ACID, 4-SULFO-, MONOAMMONIUM SALT",065229-11-0,103334,"azanium 3,4-dicarboxybenzenesulfonate",C1=CC(=C(C=C1S(=O)(=O)[O-])C(=O)O)C(=O)O.[NH4+],"InChI=1S/C8H6O7S.H3N/c9-7(10)5-2-1-4(16(13,14)15)3-6(5)8(11)12;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);1H3",KOLYQQQBGYNKNZ-UHFFFAOYSA-N,C8H9NO7S,263.23,263.0099728,,141,380,0,3,7,2,17,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-PHOSPHONO-.OMEGA.-(METHYLPHENOXY)-, DIPOTASS",066057-30-5,171741,dipotassium;2-(3-methylphenoxy)ethyl phosphate,CC1=CC(=CC=C1)OCCOP(=O)([O-])[O-].[K+].[K+],"InChI=1S/C9H13O5P.2K/c1-8-3-2-4-9(7-8)13-5-6-14-15(10,11)12;;/h2-4,7H,5-6H2,1H3,(H2,10,11,12);;/q;2*+1/p-2",BMDQYINOMFOOHD-UHFFFAOYSA-L,C9H11K2O5P,308.35,307.9618234,,81.7,215,0,0,5,4,17,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEPROPANAL, 2-ETHYL-.ALPHA.,.ALPHA.-DIMETHYL-",067634-14-4,105512,"3-(2-ethylphenyl)-2,2-dimethylpropanal",CCC1=CC=CC=C1CC(C)(C)C=O,"InChI=1S/C13H18O/c1-4-11-7-5-6-8-12(11)9-13(2,3)10-14/h5-8,10H,4,9H2,1-3H3",ITJHALDCYCTNNJ-UHFFFAOYSA-N,C13H18O,190.28,190.1357652,3.5,17.1,184,0,0,1,4,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHENOL, 2-METHYL-, AMMONIUM SALT",067674-51-5,105539,azane;2-methylphenol,CC1=CC=CC=C1O.N,"InChI=1S/C7H8O.H3N/c1-6-4-2-3-5-7(6)8;/h2-5,8H,1H3;1H3",DWVIDWKFWSIFIR-UHFFFAOYSA-N,C7H11NO,125.17,125.084064,,21.2,70,0,2,2,0,9,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHONIC ACID, ISODECYL PHENYL ESTER",068311-09-1,6335659,8-methylnonoxy-oxo-phenoxyphosphanium,CC(C)CCCCCCCO[P+](=O)OC1=CC=CC=C1,"InChI=1S/C16H26O3P/c1-15(2)11-7-4-3-5-10-14-18-20(17)19-16-12-8-6-9-13-16/h6,8-9,12-13,15H,3-5,7,10-11,14H2,1-2H3/q+1",UTHJXPXXTSTCSJ-UHFFFAOYSA-N,C16H26O3P+,297.35,297.1619567,5.7,35.5,250,1,0,3,11,20,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1-BROMO-4-(1,1,2,2-TETRAFLUOROETHOXY)-",068834-05-9,111643,"1-bromo-4-(1,1,2,2-tetrafluoroethoxy)benzene",C1=CC(=CC=C1OC(C(F)F)(F)F)Br,"InChI=1S/C8H5BrF4O/c9-5-1-3-6(4-2-5)14-8(12,13)7(10)11/h1-4,7H",VKJYIOCMIHTAET-UHFFFAOYSA-N,C8H5BrF4O,273.02,271.94599,4.2,9.2,180,0,0,5,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEPROPANOIC ACID, 3,4-DICHLORO-.ALPHA.-HYDROXY-",068921-93-7,111434,"3-(3,4-dichlorophenyl)-2-hydroxypropanoic acid",C1=CC(=C(C=C1CC(C(=O)O)O)Cl)Cl,"InChI=1S/C9H8Cl2O3/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,12H,4H2,(H,13,14)",QREPBOPOIRZWDG-UHFFFAOYSA-N,C9H8Cl2O3,235.06,233.9850495,2.4,57.5,210,0,2,3,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BUTENOIC ACID, PHENYLMETHYL ESTER, (E)-",071338-71-1,5356259,benzyl (E)-but-2-enoate,C/C=C/C(=O)OCC1=CC=CC=C1,"InChI=1S/C11H12O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h2-8H,9H2,1H3/b6-2+",NCPTYZLUYHXITE-QHHAFSJGSA-N,C11H12O2,176.21,176.0837296,2.8,26.3,179,0,0,2,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, 4-(ACETYLOXY)-3-ETHOXY-",072207-94-4,155708,(2-ethoxy-4-formylphenyl) acetate,CCOC1=C(C=CC(=C1)C=O)OC(=O)C,"InChI=1S/C11H12O4/c1-3-14-11-6-9(7-12)4-5-10(11)15-8(2)13/h4-7H,3H2,1-2H3",XRZFVPCFHPIMAD-UHFFFAOYSA-N,C11H12O4,208.21,208.0735589,1.5,52.6,227,0,0,4,5,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEXANOIC ACID, 6-[METHYL(PHENYLSULFONYL)AMINO]-, COMPD. WITH 2-AMINOETHANOL (1",075113-57-4,173333,2-aminoethanol;6-[benzenesulfonyl(methyl)amino]hexanoic acid,CN(CCCCCC(=O)O)S(=O)(=O)C1=CC=CC=C1.C(CO)N,"InChI=1S/C13H19NO4S.C2H7NO/c1-14(11-7-3-6-10-13(15)16)19(17,18)12-8-4-2-5-9-12;3-1-2-4/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,15,16);4H,1-3H2",DUFAUUOAXDKLGV-UHFFFAOYSA-N,C15H26N2O5S,346.4,346.1562431,,129,379,0,3,7,9,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, METHYL-, COMPD. WITH UREA (1:1)",125520-86-7,21529127,4-methylbenzenesulfonic acid;urea,CC1=CC=C(C=C1)S(=O)(=O)O.C(=O)(N)N,"InChI=1S/C7H8O3S.CH4N2O/c1-6-2-4-7(5-3-6)11(8,9)10;2-1(3)4/h2-5H,1H3,(H,8,9,10);(H4,2,3,4)",ZKZAMHIUFAHSIB-UHFFFAOYSA-N,C8H12N2O4S,232.26,232.051778,,132,235,0,3,4,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRACHLOROTEREPHTHALIC ACID,002136-79-0,16493,"2,3,5,6-tetrachloroterephthalic acid",C1(=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O,"InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)",KZCBXHSWMMIEQU-UHFFFAOYSA-N,C8H2Cl4O4,303.9,303.867769,3.7,74.6,264,0,2,4,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-BUTANONE-DNPH,000958-60-1,9562263,"N-[(E)-butan-2-ylideneamino]-2,4-dinitroaniline",CC/C(=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C,"InChI=1S/C10H12N4O4/c1-3-7(2)11-12-9-5-4-8(13(15)16)6-10(9)14(17)18/h4-6,12H,3H2,1-2H3/b11-7+",WPWSANGSIWAACK-YRNVUSSQSA-N,C10H12N4O4,252.23,252.0858549,3.5,116,347,0,1,6,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DL-HOMOPHENYLALANINE,001012-05-1,102530,2-amino-4-phenylbutanoic acid,C1=CC=C(C=C1)CCC(C(=O)O)N,"InChI=1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)",JTTHKOPSMAVJFE-UHFFFAOYSA-N,C10H13NO2,179.22,179.0946287,-1.2,63.3,164,0,2,3,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DIMETHOXY-4-IODOPHENETHYLAMINE HYDROCHLORIDE",064584-32-3,45108169,"2-(4-iodo-2,5-dimethoxyphenyl)ethanamine;hydrochloride",COC1=CC(=C(C=C1CCN)OC)I.Cl,"InChI=1S/C10H14INO2.ClH/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12;/h5-6H,3-4,12H2,1-2H3;1H",OTUXWIRPEPMONF-UHFFFAOYSA-N,C10H15ClINO2,343.59,342.9836,,44.5,168,0,2,3,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3,6-TRIFLUOROBENZOIC ACID",002358-19-4,520062,"2,3,6-trifluorobenzoic acid",C1=CC(=C(C(=C1F)C(=O)O)F)F,"InChI=1S/C7H3F3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)",MGUPHQGQNHDGNK-UHFFFAOYSA-N,C7H3F3O2,176.09,176.0085138,1.7,37.3,185,0,1,5,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-BROMO-2,6-DI-TERT-BUTYLPHENOL",001139-52-5,70829,"4-bromo-2,6-ditert-butylphenol",CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)Br,"InChI=1S/C14H21BrO/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3",SSQQUEKFNSJLKX-UHFFFAOYSA-N,C14H21BrO,285.22,284.07758,5.6,20.2,212,0,1,1,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIMETHYL(VINYLBENZYL)AMMONIUM CHLORIDE,026616-35-3,171712,(2-ethenylphenyl)methyl-trimethylazanium,C[N+](C)(C)CC1=CC=CC=C1C=C,"InChI=1S/C12H18N/c1-5-11-8-6-7-9-12(11)10-13(2,3)4/h5-9H,1,10H2,2-4H3/q+1",SVBDYAHXVSJABF-UHFFFAOYSA-N,C12H18N+,176.28,176.1439246,2.5,0,166,1,0,0,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRITON X-100,009002-93-1,5590,"2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol",CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCO,"InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3",JYCQQPHGFMYQCF-UHFFFAOYSA-N,C16H26O2,250.38,250.1932801,4.6,29.5,232,0,1,2,6,18,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-BENZENEDIOL, DIMETHYL-",001321-28-4,69100,"2,3-dimethylbenzene-1,4-diol",CC1=C(C=CC(=C1C)O)O,"InChI=1S/C8H10O2/c1-5-6(2)8(10)4-3-7(5)9/h3-4,9-10H,1-2H3",BXJGUBZTZWCMEX-UHFFFAOYSA-N,C8H10O2,138.16,138.0680796,1.2,40.5,99,0,2,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-TERT-OCTYLRESORCINOL,,220749,"4-(2,4,4-trimethylpentan-2-yl)benzene-1,3-diol",CC(C)(C)CC(C)(C)C1=C(C=C(C=C1)O)O,"InChI=1S/C14H22O2/c1-13(2,3)9-14(4,5)11-7-6-10(15)8-12(11)16/h6-8,15-16H,9H2,1-5H3",YQOJNENEFSZINP-UHFFFAOYSA-N,C14H22O2,222.32,222.1619799,4.6,40.5,227,0,2,2,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
N-BENZOYL-D-ALANINE,,91514,(2R)-2-benzamidopropanoic acid,C[C@H](C(=O)O)NC(=O)C1=CC=CC=C1,"InChI=1S/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m1/s1",UAQVHNZEONHPQG-SSDOTTSWSA-N,C10H11NO3,193.2,193.0738932,1.2,66.4,221,0,2,3,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MOLECULAR SIEVES,,73906282,"(2R,3S)-2-[[(2R)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-5-methoxy-4-methoxycarbonyl-3-methyl-5-oxopentanoic acid",C[C@H]([C@H](C(=O)O)NC(=O)[C@@H](CC1=CC(=CC=C1)F)NC(=O)C)C(C(=O)OC)C(=O)OC,"InChI=1S/C20H25FN2O8/c1-10(15(19(28)30-3)20(29)31-4)16(18(26)27)23-17(25)14(22-11(2)24)9-12-6-5-7-13(21)8-12/h5-8,10,14-16H,9H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)/t10-,14+,16+/m0/s1",FJUZEZRZKVMAMD-DRZCJDIDSA-N,C20H25FN2O8,440.4,440.1594939,1.3,148,670,0,3,9,12,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 3-METHYL-4-(METHYLTHIO)-",003120-74-9,18391,3-methyl-4-methylsulfanylphenol,CC1=C(C=CC(=C1)O)SC,"InChI=1S/C8H10OS/c1-6-5-7(9)3-4-8(6)10-2/h3-5,9H,1-2H3",VKALYYFVKBXHTF-UHFFFAOYSA-N,C8H10OS,154.23,154.0452361,2.5,45.5,105,0,1,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZYL BROMIDE,000100-39-0,7498,bromomethylbenzene,C1=CC=C(C=C1)CBr,"InChI=1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2",AGEZXYOZHKGVCM-UHFFFAOYSA-N,C7H7Br,171.03,169.97311,2.9,0,55,0,0,0,1,8,"188 °F (NTP, 1992)","388 to 390 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DICHLOROTOLUENE",000095-73-8,7254,"2,4-dichloro-1-methylbenzene",CC1=C(C=C(C=C1)Cl)Cl,"InChI=1S/C7H6Cl2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3",FUNUTBJJKQIVSY-UHFFFAOYSA-N,C7H6Cl2,161.03,159.9846556,4.2,0,92,0,0,0,0,9,93 °C,"385 to 387 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,1
"1,4-DIISOPROPYLBENZENE",000100-18-5,7486,"1,4-di(propan-2-yl)benzene",CC(C)C1=CC=C(C=C1)C(C)C,"InChI=1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3",SPPWGCYEYAMHDT-UHFFFAOYSA-N,C12H18,162.27,162.1408506,4.9,0,100,0,0,0,2,12,,210.3 °C,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,1
"BENZENE, (2-CHLOROETHYL)-",000622-24-2,231496,2-chloroethylbenzene,C1=CC=C(C=C1)CCCl,"InChI=1S/C8H9Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2",MNNZINNZIQVULG-UHFFFAOYSA-N,C8H9Cl,140.61,140.039278,3,0,65,0,0,0,2,9,,198 °C,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPANONE, (2,4-DINITROPHENYL)HYDRAZONE",001567-89-1,74069,"2,4-dinitro-N-(propan-2-ylideneamino)aniline",CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C,"InChI=1S/C9H10N4O4/c1-6(2)10-11-8-4-3-7(12(14)15)5-9(8)13(16)17/h3-5,11H,1-2H3",YGIXYAIGWMAGIB-UHFFFAOYSA-N,C9H10N4O4,238.2,238.0702048,3,116,329,0,1,6,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRANS-4-HYDROXYCINNAMIC ACID,000501-98-4,637542,(E)-3-(4-hydroxyphenyl)prop-2-enoic acid,C1=CC(=CC=C1/C=C/C(=O)O)O,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",NGSWKAQJJWESNS-ZZXKWVIFSA-N,C9H8O3,164.16,164.0473441,1.5,57.5,178,0,2,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-AMINOPHENOL HYDROCHLORIDE,000051-78-5,5828,4-aminophenol;hydrochloride,C1=CC(=CC=C1N)O.Cl,"InChI=1S/C6H7NO.ClH/c7-5-1-3-6(8)4-2-5;/h1-4,8H,7H2;1H",RVGOBWDGAVAVPJ-UHFFFAOYSA-N,C6H8ClNO,145.59,145.0294416,,46.3,66,0,3,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"2-NITRO-1,4-PHENYLENEDIAMINE",005307-14-2,4338370,"2-nitrobenzene-1,4-diamine",C1=CC(=C(C=C1N)[N+](=O)[O-])N,"InChI=1S/C6H7N3O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,7-8H2",HVHNMNGARPCGGD-UHFFFAOYSA-N,C6H7N3O2,153.14,153.0538265,0.5,97.9,156,0,2,4,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
DINONYL PHENOL,000137-99-5,8735,"2,4-di(nonyl)phenol",CCCCCCCCCC1=CC(=C(C=C1)O)CCCCCCCCC,"InChI=1S/C24H42O/c1-3-5-7-9-11-13-15-17-22-19-20-24(25)23(21-22)18-16-14-12-10-8-6-4-2/h19-21,25H,3-18H2,1-2H3",FDAJTLLBHNHECW-UHFFFAOYSA-N,C24H42O,346.6,346.323566,10.7,20.2,275,0,1,1,16,25,127 °C,224 °C at 15 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"4-STYRENESULFONIC ACID, SODIUM SALT HYDRATE",002695-37-6,3571582,sodium 4-ethenylbenzenesulfonate,C=CC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+],"InChI=1S/C8H8O3S.Na/c1-2-7-3-5-8(6-4-7)12(9,10)11;/h2-6H,1H2,(H,9,10,11);/q;+1/p-1",XFTALRAZSCGSKN-UHFFFAOYSA-M,C8H7NaO3S,206.2,206.0013595,,65.6,247,0,0,3,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
(E)-BENZALDEHYDE OXIME,000622-31-1,5324611,(NE)-N-benzylidenehydroxylamine,C1=CC=C(C=C1)/C=N/O,"InChI=1S/C7H7NO/c9-8-6-7-4-2-1-3-5-7/h1-6,9H/b8-6+",VTWKXBJHBHYJBI-SOFGYWHQSA-N,C7H7NO,121.14,121.0527638,1.9,32.6,95,0,1,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(S)-(+)-2-PHENYLGLYCINOL,020989-17-7,134797,(2S)-2-amino-2-phenylethanol,C1=CC=C(C=C1)[C@@H](CO)N,"InChI=1S/C8H11NO/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/t8-/m1/s1",IJXJGQCXFSSHNL-MRVPVSSYSA-N,C8H11NO,137.18,137.084064,0.1,46.3,89,0,2,2,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ALPHA.-METHYL-4-(1-METHYLETHYL)BENZENEPROPANAL,000103-95-7,517827,2-methyl-3-(4-propan-2-ylphenyl)propanal,CC(C)C1=CC=C(C=C1)CC(C)C=O,"InChI=1S/C13H18O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,9-11H,8H2,1-3H3",ZFNVDHOSLNRHNN-UHFFFAOYSA-N,C13H18O,190.28,190.1357652,3.3,17.1,166,0,0,1,4,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,1,0,0
2-[2-[2-[2-(4-NONYLPHENOXY)ETHOXY]ETHOXY]ETHOXY]ETHANOL,007311-27-5,81745,2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethanol,CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCO,"InChI=1S/C23H40O5/c1-2-3-4-5-6-7-8-9-22-10-12-23(13-11-22)28-21-20-27-19-18-26-17-16-25-15-14-24/h10-13,24H,2-9,14-21H2,1H3",UTXPMECBRCEYCI-UHFFFAOYSA-N,C23H40O5,396.6,396.2875744,5.4,57.2,305,0,1,5,20,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-[2-(NONYLPHENOXY)ETHOXY]ETHANOL,027176-93-8,3032832,2-[2-(2-nonylphenoxy)ethoxy]ethanol,CCCCCCCCCC1=CC=CC=C1OCCOCCO,"InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-11-18-12-9-10-13-19(18)22-17-16-21-15-14-20/h9-10,12-13,20H,2-8,11,14-17H2,1H3",RRLGETDMEIMLQU-UHFFFAOYSA-N,C19H32O3,308.5,308.2351449,5.6,38.7,233,0,1,3,14,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ISOBUTYLPHENOL (MIXED ISOMERS),031195-95-6,93144,2-(2-methylpropyl)phenol,CC(C)CC1=CC=CC=C1O,"InChI=1S/C10H14O/c1-8(2)7-9-5-3-4-6-10(9)11/h3-6,8,11H,7H2,1-2H3",NFIDBGJMFKNGGQ-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,3.3,20.2,109,0,1,1,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
BENZOIC ACID,000065-85-0,243,benzoic acid,C1=CC=C(C=C1)C(=O)O,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",WPYMKLBDIGXBTP-UHFFFAOYSA-N,C7H6O2,122.12,122.0367794,1.9,37.3,103,0,1,2,1,9,"250 °F (NTP, 1992)","480 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,0
"Phthalic acid, mono-(2-ethylhexyl) ester",004376-20-9,20393,2-(2-ethylhexoxycarbonyl)benzoic acid,CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)O,"InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)",DJDSLBVSSOQSLW-UHFFFAOYSA-N,C16H22O4,278.34,278.1518092,4,63.6,314,0,1,4,9,20,"greater than 200 °F (NTP, 1992)","greater than 572 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-(TERT-OCTYL)PHENOL,000140-66-9,8814,"4-(2,4,4-trimethylpentan-2-yl)phenol",CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O,"InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3",ISAVYTVYFVQUDY-UHFFFAOYSA-N,C14H22O,206.32,206.1670653,5,20.2,192,0,1,1,3,15,,279 °C,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"TOLUENE 2,6-DIISOCYANATE",000091-08-7,7040,"1,3-diisocyanato-2-methylbenzene",CC1=C(C=CC=C1N=C=O)N=C=O,"InChI=1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3",RUELTTOHQODFPA-UHFFFAOYSA-N,C9H6N2O2,174.16,174.0429274,3.9,58.9,239,0,0,4,2,13,"270 °F for a 80% 2,4:20% 2,6 TDI mixture (EPA, 1998)","264 to 271 °F at 18 mmHg (EPA, 1998)",0,0,1,0,0,1,1,1,0,0,0,0,0,0,1,0,1,1,0,1
"2,3,5-TRIMETHYL-1,4-BENZENEDIOL",000700-13-0,12785,"2,3,5-trimethylbenzene-1,4-diol",CC1=CC(=C(C(=C1O)C)C)O,"InChI=1S/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3",AUFZRCJENRSRLY-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,1.7,40.5,136,0,2,2,0,11,,,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
4-TOLUENESULFONIC ACID,000104-15-4,6101,4-methylbenzenesulfonic acid,CC1=CC=C(C=C1)S(=O)(=O)O,"InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)",JOXIMZWYDAKGHI-UHFFFAOYSA-N,C7H8O3S,172.2,172.0194153,1.7,62.8,206,0,1,3,1,11,363 °F (184 °C) (CLOSED CUP),140 °C @ 20 MM HG,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POLYMETHYLENEPOLYPHENYL ISOCYANATE,009016-87-9,16212386,formaldehyde;isocyanatobenzene,C=O.C1=CC=C(C=C1)N=C=O,InChI=1S/C7H5NO.CH2O/c9-6-8-7-4-2-1-3-5-7;1-2/h1-5H;1H2,JTEOXXUIKUHXLD-UHFFFAOYSA-N,C8H7NO2,149.15,149.0476785,,46.5,123,0,0,3,1,11,,,0,0,1,0,0,1,0,1,0,0,0,0,0,0,1,0,1,1,1,1
FERULIC ACID,001135-24-6,445858,(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid,COC1=C(C=CC(=C1)/C=C/C(=O)O)O,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",KSEBMYQBYZTDHS-HWKANZROSA-N,C10H10O4,194.18,194.0579088,1.5,66.8,224,0,2,4,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2-AMINO-5-NITRO-",000121-88-0,4984721,2-amino-5-nitrophenol,C1=CC(=C(C=C1[N+](=O)[O-])O)N,"InChI=1S/C6H6N2O3/c7-5-2-1-4(8(10)11)3-6(5)9/h1-3,9H,7H2",DOPJTDJKZNWLRB-UHFFFAOYSA-N,C6H6N2O3,154.12,154.0378421,1.5,92.1,156,0,2,4,0,11,,,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 5-AMINO-2-METHYL-",002835-95-2,17818,5-amino-2-methylphenol,CC1=C(C=C(C=C1)N)O,"InChI=1S/C7H9NO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,8H2,1H3",DBFYESDCPWWCHN-UHFFFAOYSA-N,C7H9NO,123.15,123.0684139,1.3,46.3,94,0,2,2,0,9,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"PHENOL, 2-AMINO-6-CHLORO-4-NITRO-",006358-09-4,4679699,2-amino-6-chloro-4-nitrophenol,C1=C(C=C(C(=C1N)O)Cl)[N+](=O)[O-],"InChI=1S/C6H5ClN2O3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H,8H2",TWLMSPNQBKSXOP-UHFFFAOYSA-N,C6H5ClN2O3,188.57,187.9988697,1.5,92.1,184,0,2,4,0,12,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
2-CHLORO-N-ETHOXYMETHYL-N-(2-ETHYL-6-METHYLPHENYL)ACETAMIDE,034256-82-1,1988,2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide,CCC1=CC=CC(=C1N(COCC)C(=O)CCl)C,"InChI=1S/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3",VTNQPKFIQCLBDU-UHFFFAOYSA-N,C14H20ClNO2,269.77,269.1182566,3.2,29.5,260,0,0,2,6,18,>93 °C (tag closed cup),BP: 172 °C at 5 mm Hg,1,0,1,0,0,1,1,0,0,0,0,0,0,1,0,0,1,1,1,1
"PHENOL, 2,6-BIS(1,1-DIMETHYLETHYL)-4-(1-METHYLPROPYL)-",017540-75-9,86583,"4-butan-2-yl-2,6-ditert-butylphenol",CCC(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,"InChI=1S/C18H30O/c1-9-12(2)13-10-14(17(3,4)5)16(19)15(11-13)18(6,7)8/h10-12,19H,9H2,1-8H3",BFZOTKYPSZSDEV-UHFFFAOYSA-N,C18H30O,262.4,262.2296656,6.6,20.2,257,0,1,1,4,19,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"3,4-DIHYDROXYCINNAMIC ACID",000331-39-5,689043,"(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid",C1=CC(=C(C=C1/C=C/C(=O)O)O)O,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",QAIPRVGONGVQAS-DUXPYHPUSA-N,C9H8O4,180.16,180.0422587,1.2,77.8,212,0,3,4,2,13,,,0,0,0,0,0,1,0,1,0,0,0,0,0,1,0,0,1,0,0,1
TEREPHTHALIC ACID,000100-21-0,7489,terephthalic acid,C1=CC(=CC=C1C(=O)O)C(=O)O,"InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)",KKEYFWRCBNTPAC-UHFFFAOYSA-N,C8H6O4,166.13,166.0266087,2,74.6,169,0,2,4,2,12,260 °C,"greater than 572 °F at 760 mmHg (sublimes without melting) (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL-P-HYDROXYBENZOATE,000099-76-3,7456,methyl 4-hydroxybenzoate,COC(=O)C1=CC=C(C=C1)O,"InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3",LXCFILQKKLGQFO-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,2,46.5,136,0,1,3,2,11,,270.5 °C (decomposes),0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ARAMITE,000140-57-8,8809,1-(4-tert-butylphenoxy)propan-2-yl 2-chloroethyl sulfite,CC(COC1=CC=C(C=C1)C(C)(C)C)OS(=O)OCCCl,"InChI=1S/C15H23ClO4S/c1-12(20-21(17)19-10-9-16)11-18-14-7-5-13(6-8-14)15(2,3)4/h5-8,12H,9-11H2,1-4H3",YKFRAOGHWKADFJ-UHFFFAOYSA-N,C15H23ClO4S,334.9,334.1005581,4.6,64,311,0,0,5,9,21,,175 °C at 0.1 mm Hg,1,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,0
P-DIBROMOBENZENE,000106-37-6,7804,"1,4-dibromobenzene",C1=CC(=CC=C1Br)Br,InChI=1S/C6H4Br2/c7-5-1-2-6(8)4-3-5/h1-4H,SWJPEBQEEAHIGZ-UHFFFAOYSA-N,C6H4Br2,235.9,235.86593,3.8,0,54,0,0,0,0,8,,220.40 °C,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHOXYLATED P-NONYLPHENOL/AGRAL 90,009016-45-9,24773,2-[2-(4-nonylphenoxy)ethoxy]ethanol,CCCCCCCCCC1=CC=C(C=C1)OCCOCCO,"InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)22-17-16-21-15-14-20/h10-13,20H,2-9,14-17H2,1H3",BLXVTZPGEOGTGG-UHFFFAOYSA-N,C19H32O3,308.5,308.2351449,5.6,38.7,225,0,1,3,14,22,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENFLURALIN (N-BUTYL-N-ETHYL-2,6-DINITRO-4-(TRIFLUOROMETHYL)BENZENAMINE)",001861-40-1,2319,"N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline",CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],"InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3",SMDHCQAYESWHAE-UHFFFAOYSA-N,C13H16F3N3O4,335.28,335.1092905,5.3,94.9,398,0,0,8,5,23,,148-149 °C at 7 mm Hg; 121-122 °C at 0.5 mm Hg,1,0,0,0,0,1,1,1,0,0,0,0,0,1,0,0,1,1,0,0
PHENYLPROPYL KETONE,000495-40-9,10315,1-phenylbutan-1-one,CCCC(=O)C1=CC=CC=C1,"InChI=1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3",FFSAXUULYPJSKH-UHFFFAOYSA-N,C10H12O,148.2,148.088815,2.5,17.1,123,0,0,1,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"2,4,6-TRINITROBENZENESULFONIC ACID SODIUM SALT",005400-70-4,517400,"sodium 2,4,6-trinitrobenzenesulfonate",C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[Na+],"InChI=1S/C6H3N3O9S.Na/c10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15;/h1-2H,(H,16,17,18);/q;+1/p-1",NCGJACBPALRHNG-UHFFFAOYSA-M,C6H2N3NaO9S,315.15,314.9409441,,203,457,0,0,9,0,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
2-HYDROXY-5-OCTANOYLBENZOIC ACID,078418-01-6,9838158,2-hydroxy-5-octanoylbenzoic acid,CCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)O,"InChI=1S/C15H20O4/c1-2-3-4-5-6-7-13(16)11-8-9-14(17)12(10-11)15(18)19/h8-10,17H,2-7H2,1H3,(H,18,19)",IXIGWKNBFPKCCD-UHFFFAOYSA-N,C15H20O4,264.32,264.1361591,5.2,74.6,301,0,2,4,8,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENESULFONIC ACID, 2-AMINO-5-CHLORO-4-ETHYL-",000088-56-2,66621,2-amino-5-chloro-4-ethylbenzenesulfonic acid,CCC1=CC(=C(C=C1Cl)S(=O)(=O)O)N,"InChI=1S/C8H10ClNO3S/c1-2-5-3-7(10)8(4-6(5)9)14(11,12)13/h3-4H,2,10H2,1H3,(H,11,12,13)",DJOIZOKQHNHZPN-UHFFFAOYSA-N,C8H10ClNO3S,235.69,235.006992,2,88.8,287,0,2,4,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENEACETALDEHYDE, 4-METHYL-",000104-09-6,61006,2-(4-methylphenyl)acetaldehyde,CC1=CC=C(C=C1)CC=O,"InChI=1S/C9H10O/c1-8-2-4-9(5-3-8)6-7-10/h2-5,7H,6H2,1H3",CIXAYNMKFFQEFU-UHFFFAOYSA-N,C9H10O,134.17,134.0731649,1.9,17.1,101,0,0,1,2,10,,221.00 to 222.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"1,3-BENZENEDIOL, 5-PENTADECYL-",003158-56-3,76617,"5-pentadecylbenzene-1,3-diol",CCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O,"InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h16-18,22-23H,2-15H2,1H3",KVVSCMOUFCNCGX-UHFFFAOYSA-N,C21H36O2,320.5,320.2715304,9,40.5,244,0,2,2,14,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Acetic acid, (((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)thio)-, 2-et",080387-97-9,93464,"2-ethylhexyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]acetate",CCCCC(CC)COC(=O)CSCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,"InChI=1S/C25H42O3S/c1-9-11-12-18(10-2)15-28-22(26)17-29-16-19-13-20(24(3,4)5)23(27)21(14-19)25(6,7)8/h13-14,18,27H,9-12,15-17H2,1-8H3",SPDKDTGZSHRXIT-UHFFFAOYSA-N,C25H42O3S,422.7,422.2854664,8.4,71.8,453,0,1,4,13,29,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,1,0,0
DIATRIZOIC ACID,000117-96-4,2140,"3,5-diacetamido-2,4,6-triiodobenzoic acid",CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I,"InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)",YVPYQUNUQOZFHG-UHFFFAOYSA-N,C11H9I3N2O4,613.91,613.7696,1.8,95.5,390,0,3,4,3,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
ANETHOLE,000104-46-1,637563,1-methoxy-4-[(E)-prop-1-enyl]benzene,C/C=C/C1=CC=C(C=C1)OC,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+",RUVINXPYWBROJD-ONEGZZNKSA-N,C10H12O,148.2,148.088815,3.3,9.2,121,0,0,1,2,11,"195 °F (NTP, 1992)","454.1 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
4-DIMETHYLAMINOBENZALDEHYDE,000100-10-7,7479,4-(dimethylamino)benzaldehyde,CN(C)C1=CC=C(C=C1)C=O,"InChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3",BGNGWHSBYQYVRX-UHFFFAOYSA-N,C9H11NO,149.19,149.084064,1.8,20.3,126,0,0,2,2,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"3-NITROBENZENESULFONIC ACID, SODIUM SALT",000127-68-4,31389,sodium 3-nitrobenzenesulfonate,C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-].[Na+],"InChI=1S/C6H5NO5S.Na/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h1-4H,(H,10,11,12);/q;+1/p-1",LJRGBERXYNQPJI-UHFFFAOYSA-M,C6H4NNaO5S,225.16,224.9707877,,111,274,0,0,5,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
BIS(4-VINYLOXYBUTYL)ISOPHTALATE,130066-57-8,86390,"bis(4-ethenoxybutyl) benzene-1,3-dicarboxylate",C=COCCCCOC(=O)C1=CC(=CC=C1)C(=O)OCCCCOC=C,"InChI=1S/C20H26O6/c1-3-23-12-5-7-14-25-19(21)17-10-9-11-18(16-17)20(22)26-15-8-6-13-24-4-2/h3-4,9-11,16H,1-2,5-8,12-15H2",KZYBDOUJLUPBEH-UHFFFAOYSA-N,C20H26O6,362.4,362.1729385,4.3,71.1,396,0,0,6,16,26,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2',4',5'-TRIHYDROXYBUTYROPHENONE",001421-63-2,15008,"1-(2,4,5-trihydroxyphenyl)butan-1-one",CCCC(=O)C1=CC(=C(C=C1O)O)O,"InChI=1S/C10H12O4/c1-2-3-7(11)6-4-9(13)10(14)5-8(6)12/h4-5,12-14H,2-3H2,1H3",SRUQARLMFOLRDN-UHFFFAOYSA-N,C10H12O4,196.2,196.0735589,1.9,77.8,204,0,3,4,3,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
2-METHOXY-4-PROPYLPHENOL,002785-87-7,17739,2-methoxy-4-propylphenol,CCCC1=CC(=C(C=C1)O)OC,"InChI=1S/C10H14O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7,11H,3-4H2,1-2H3",PXIKRTCSSLJURC-UHFFFAOYSA-N,C10H14O2,166.22,166.0993797,2.2,29.5,125,0,1,2,3,12,,125.00 to 126.00 °C. @ 14.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENECARBODITHIOIC ACID, 1-CYANO-1-METHYLETHYL ESTER",201611-85-0,9964525,2-cyanopropan-2-yl benzenecarbodithioate,CC(C)(C#N)SC(=S)C1=CC=CC=C1,"InChI=1S/C11H11NS2/c1-11(2,8-12)14-10(13)9-6-4-3-5-7-9/h3-7H,1-2H3",IDSLBLWCPSAZBL-UHFFFAOYSA-N,C11H11NS2,221.3,221.0332917,3.3,81.2,256,0,0,3,3,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
4-NITROPHENYL BUTYRATE,002635-84-9,75834,(4-nitrophenyl) butanoate,CCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C10H11NO4/c1-2-3-10(12)15-9-6-4-8(5-7-9)11(13)14/h4-7H,2-3H2,1H3",DVDUMIQZEUTAGK-UHFFFAOYSA-N,C10H11NO4,209.2,209.0688078,2.3,72.1,228,0,0,4,4,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
4-CYANO-4-(PHENYLCARBONOTHIOYLTHIO)PENTANOIC ACID,201611-92-9,9921763,4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid,CC(CCC(=O)O)(C#N)SC(=S)C1=CC=CC=C1,"InChI=1S/C13H13NO2S2/c1-13(9-14,8-7-11(15)16)18-12(17)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,15,16)",YNKQCPNHMVAWHN-UHFFFAOYSA-N,C13H13NO2S2,279.4,279.038771,2.8,118,368,0,1,5,6,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
4-NITROPHENYL PALMITATE,001492-30-4,73891,(4-nitrophenyl) hexadecanoate,CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(24)27-21-18-16-20(17-19-21)23(25)26/h16-19H,2-15H2,1H3",LVZSQWIWCANHPF-UHFFFAOYSA-N,C22H35NO4,377.5,377.2566086,8.8,72.1,386,0,0,4,16,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
CYANOMETHYL METHYL(PHENYL)CARBAMODITHIOATE,76926-16-4,11543110,cyanomethyl N-methyl-N-phenylcarbamodithioate,CN(C1=CC=CC=C1)C(=S)SCC#N,"InChI=1S/C10H10N2S2/c1-12(10(13)14-8-7-11)9-5-3-2-4-6-9/h2-6H,8H2,1H3",FYACMHCOSCVNHO-UHFFFAOYSA-N,C10H10N2S2,222.3,222.0285407,2.6,84.4,238,0,0,3,3,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
TETRACHLORO-P-PHTHALODINITRILE,001897-41-2,74694,"2,3,5,6-tetrachlorobenzene-1,4-dicarbonitrile",C(#N)C1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)Cl,InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11,TXRVDQMSXQKAPG-UHFFFAOYSA-N,C8Cl4N2,265.9,265.878609,2.9,47.6,266,0,0,2,0,14,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENESULFONIC ACID, 5-AMINO-2-CHLORO-",000088-43-7,6933,5-amino-2-chlorobenzenesulfonic acid,C1=CC(=C(C=C1N)S(=O)(=O)O)Cl,"InChI=1S/C6H6ClNO3S/c7-5-2-1-4(8)3-6(5)12(9,10)11/h1-3H,8H2,(H,9,10,11)",VPXCXBHLKDPWQV-UHFFFAOYSA-N,C6H6ClNO3S,207.64,206.9756919,0.4,88.8,248,0,2,4,1,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,2-PROPANEDIONE, 1-PHENYL-, 2-OXIME",000119-51-7,9566063,(2E)-2-hydroxyimino-1-phenylpropan-1-one,C/C(=N\O)/C(=O)C1=CC=CC=C1,"InChI=1S/C9H9NO2/c1-7(10-12)9(11)8-5-3-2-4-6-8/h2-6,12H,1H3/b10-7+",YPINLRNGSGGJJT-JXMROGBWSA-N,C9H9NO2,163.17,163.0633285,2.1,49.7,193,0,1,3,2,12,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,3-BENZENEDISULFONIC ACID, 4,6-DIAMINO-",000137-50-8,67303,"4,6-diaminobenzene-1,3-disulfonic acid",C1=C(C(=CC(=C1N)S(=O)(=O)O)S(=O)(=O)O)N,"InChI=1S/C6H8N2O6S2/c7-3-1-4(8)6(16(12,13)14)2-5(3)15(9,10)11/h1-2H,7-8H2,(H,9,10,11)(H,12,13,14)",YADSWTKOIHUSDX-UHFFFAOYSA-N,C6H8N2O6S2,268.3,267.9823783,-0.8,178,404,0,4,8,2,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"ACETAMIDE, N-[(4-AMINOPHENYL)SULFONYL]-",000144-80-9,5320,N-(4-aminophenyl)sulfonylacetamide,CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N,"InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)",SKIVFJLNDNKQPD-UHFFFAOYSA-N,C8H10N2O3S,214.24,214.0412134,-1,97.6,299,0,2,4,2,14,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1
"ACETIC ACID, 2-NITROPHENYL ESTER",000610-69-5,11890,(2-nitrophenyl) acetate,CC(=O)OC1=CC=CC=C1[N+](=O)[O-],"InChI=1S/C8H7NO4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3",MRCKRGSNLOHYRA-UHFFFAOYSA-N,C8H7NO4,181.15,181.0375077,1.6,72.1,211,0,0,4,2,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"OCTADECANAMIDE, N-PHENYL-",000637-54-7,69476,N-phenyloctadecanamide,CCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1,"InChI=1S/C24H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23/h16-18,20-21H,2-15,19,22H2,1H3,(H,25,26)",ZOLJFBQEKSZVCB-UHFFFAOYSA-N,C24H41NO,359.6,359.3188149,9.8,29.1,309,0,1,1,17,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZOIC ACID, 3,4,5-TRIHYDROXY-, DODECYL ESTER",001166-52-5,14425,"dodecyl 3,4,5-trihydroxybenzoate",CCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O,"InChI=1S/C19H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-24-19(23)15-13-16(20)18(22)17(21)14-15/h13-14,20-22H,2-12H2,1H3",RPWFJAMTCNSJKK-UHFFFAOYSA-N,C19H30O5,338.4,338.2093241,5.8,87,322,0,3,5,13,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-PROPENAL, 3-PHENYL-, MONOPENTYL DERIV.",001331-92-6,1623625,(2E)-2-benzylideneheptanal,CCCCC/C(=C\C1=CC=CC=C1)/C=O,"InChI=1S/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3/b14-11+",HMKKIXGYKWDQSV-SDNWHVSQSA-N,C14H18O,202.29,202.1357652,4.2,17.1,199,0,0,1,6,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZOIC ACID, 4-(ACETYLAMINO)-3-NITRO-",001539-06-6,73758,4-acetamido-3-nitrobenzoic acid,CC(=O)NC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-],"InChI=1S/C9H8N2O5/c1-5(12)10-7-3-2-6(9(13)14)4-8(7)11(15)16/h2-4H,1H3,(H,10,12)(H,13,14)",BRQIMWBIZLRLSV-UHFFFAOYSA-N,C9H8N2O5,224.17,224.0433214,0.7,112,312,0,2,5,2,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"DODECANOIC ACID, PHENYL ESTER",004228-00-6,77903,phenyl dodecanoate,CCCCCCCCCCCC(=O)OC1=CC=CC=C1,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-13-16-18(19)20-17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3",ZPORCTAUIXXZAI-UHFFFAOYSA-N,C18H28O2,276.4,276.2089301,6.8,26.3,232,0,0,2,12,20,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENEPROPANOL, .BETA.-METHYL-4-(1-METHYLETHYL)-",004756-19-8,107334,2-methyl-3-(4-propan-2-ylphenyl)propan-1-ol,CC(C)C1=CC=C(C=C1)CC(C)CO,"InChI=1S/C13H20O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,10-11,14H,8-9H2,1-3H3",RQRYGVZUUYYXGA-UHFFFAOYSA-N,C13H20O,192.3,192.1514153,3.4,20.2,145,0,1,1,4,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-HEXANONE, 5-METHYL-5-PHENYL-",004927-36-0,78639,5-methyl-5-phenylhexan-3-one,CCC(=O)CC(C)(C)C1=CC=CC=C1,"InChI=1S/C13H18O/c1-4-12(14)10-13(2,3)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3",VEZKFOIEZCNFBT-UHFFFAOYSA-N,C13H18O,190.28,190.1357652,3.2,17.1,187,0,0,1,4,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-PROPANONE, 1-(2-NITROPHENOXY)-",005330-66-5,79239,1-(2-nitrophenoxy)propan-2-one,CC(=O)COC1=CC=CC=C1[N+](=O)[O-],"InChI=1S/C9H9NO4/c1-7(11)6-14-9-5-3-2-4-8(9)10(12)13/h2-5H,6H2,1H3",PYVMIAYOZLGBQM-UHFFFAOYSA-N,C9H9NO4,195.17,195.0531578,1.1,72.1,223,0,0,4,3,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENEPROPANAL, 4-METHYL-",005406-12-2,64812,3-(4-methylphenyl)propanal,CC1=CC=C(C=C1)CCC=O,"InChI=1S/C10H12O/c1-9-4-6-10(7-5-9)3-2-8-11/h4-8H,2-3H2,1H3",ABGZWIFTZXUDGF-UHFFFAOYSA-N,C10H12O,148.2,148.088815,2,17.1,112,0,0,1,3,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENEPROPANAL, .ALPHA.-METHYL-4-(2-METHYLPROPYL)-",006658-48-6,110914,2-methyl-3-[4-(2-methylpropyl)phenyl]propanal,CC(C)CC1=CC=C(C=C1)CC(C)C=O,"InChI=1S/C14H20O/c1-11(2)8-13-4-6-14(7-5-13)9-12(3)10-15/h4-7,10-12H,8-9H2,1-3H3",YLIXVKUWWOQREC-UHFFFAOYSA-N,C14H20O,204.31,204.1514153,3.8,17.1,178,0,0,1,5,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0
"L-TYROSINE, HYDRAZIDE",007662-51-3,72779,(2S)-2-amino-3-(4-hydroxyphenyl)propanehydrazide,C1=CC(=CC=C1C[C@@H](C(=O)NN)N)O,"InChI=1S/C9H13N3O2/c10-8(9(14)12-11)5-6-1-3-7(13)4-2-6/h1-4,8,13H,5,10-11H2,(H,12,14)/t8-/m0/s1",MWIXENPCUPDSOS-QMMMGPOBSA-N,C9H13N3O2,195.22,195.1007767,-1,101,190,0,4,4,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENE, 1-ETHOXY-2-METHOXY-4-(1-PROPENYL)-",007784-67-0,285286,1-ethoxy-2-methoxy-4-prop-1-enylbenzene,CCOC1=C(C=C(C=C1)C=CC)OC,"InChI=1S/C12H16O2/c1-4-6-10-7-8-11(14-5-2)12(9-10)13-3/h4,6-9H,5H2,1-3H3",AOSKXPFBGRLCEG-UHFFFAOYSA-N,C12H16O2,192.25,192.1150297,3.2,18.5,177,0,0,2,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENE, 2-METHOXY-1-(PENTYLOXY)-4-(1-PROPENYL)-",010484-36-3,112122,2-methoxy-1-pentoxy-4-prop-1-enylbenzene,CCCCCOC1=C(C=C(C=C1)C=CC)OC,"InChI=1S/C15H22O2/c1-4-6-7-11-17-14-10-9-13(8-5-2)12-15(14)16-3/h5,8-10,12H,4,6-7,11H2,1-3H3",IKJFIKIKJWLIQS-UHFFFAOYSA-N,C15H22O2,234.33,234.1619799,4.6,18.5,213,0,0,2,7,17,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZONITRILE, 4-(ACETYLOXY)-",013031-41-9,83062,(4-cyanophenyl) acetate,CC(=O)OC1=CC=C(C=C1)C#N,"InChI=1S/C9H7NO2/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-5H,1H3",CJGXWABHYYJNJH-UHFFFAOYSA-N,C9H7NO2,161.16,161.0476785,0.8,50.1,208,0,0,3,2,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,5-CYCLOHEXADIENE-1,4-DIONE, 2-METHYL-, 4-OXIME",013362-33-9,81435,2-methyl-4-nitrosophenol,CC1=C(C=CC(=C1)N=O)O,"InChI=1S/C7H7NO2/c1-5-4-6(8-10)2-3-7(5)9/h2-4,9H,1H3",PMTVEXBJLIRTEJ-UHFFFAOYSA-N,C7H7NO2,137.14,137.0476785,0.7,49.7,127,0,1,3,0,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,2-BENZENEDICARBOXYLIC ACID, 3-(ACETYLAMINO)-",015371-06-9,84885,3-acetamidophthalic acid,CC(=O)NC1=CC=CC(=C1C(=O)O)C(=O)O,"InChI=1S/C10H9NO5/c1-5(12)11-7-4-2-3-6(9(13)14)8(7)10(15)16/h2-4H,1H3,(H,11,12)(H,13,14)(H,15,16)",ONSCGVISIRLDJQ-UHFFFAOYSA-N,C10H9NO5,223.18,223.0480724,1.4,104,314,0,3,5,3,16,,,0,0,0,0,0,1,1,0,0,0,1,0,0,1,0,0,0,1,0,0
"[1,2-PHENYLENEBIS (IMINOCARBONOTHIOYL)]BISCARBAMIC ACID DIMETHYL ESTER",023564-05-8,3032791,methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate,COC(=O)NC(=S)NC1=CC=CC=C1NC(=S)NC(=O)OC,"InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)",QGHREAKMXXNCOA-UHFFFAOYSA-N,C12H14N4O4S2,342.4,342.0456473,2.6,165,407,0,4,6,4,22,,,1,0,1,0,0,1,1,0,0,0,1,0,0,0,0,0,0,1,0,0
"BENZENEACETALDEHYDE, .ALPHA.-METHYL-4-(1-METHYLETHYL)-",034291-99-1,118146,2-(4-propan-2-ylphenyl)propanal,CC(C)C1=CC=C(C=C1)C(C)C=O,"InChI=1S/C12H16O/c1-9(2)11-4-6-12(7-5-11)10(3)8-13/h4-10H,1-3H3",IZQUWQPXCQLTJY-UHFFFAOYSA-N,C12H16O,176.25,176.1201151,3,17.1,155,0,0,1,3,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
(S)-(2-METHYLBUTYL)BENZENE,040560-30-3,3084792,[(2R)-2-methylbutyl]benzene,CC[C@@H](C)CC1=CC=CC=C1,"InChI=1S/C11H16/c1-3-10(2)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-/m1/s1",IFDLFCDWOFLKEB-SNVBAGLBSA-N,C11H16,148.24,148.1252005,4.1,0,90,0,0,0,3,11,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENEBUTANAL, .ALPHA.-METHYL-",040654-82-8,62911,2-methyl-4-phenylbutanal,CC(CCC1=CC=CC=C1)C=O,"InChI=1S/C11H14O/c1-10(9-12)7-8-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3",RLFLIPVJQTWXKR-UHFFFAOYSA-N,C11H14O,162.23,162.1044651,2.5,17.1,125,0,0,1,4,12,,253.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZALDEHYDE, 4-OCTYL-",049763-66-8,2734685,4-octylbenzaldehyde,CCCCCCCCC1=CC=C(C=C1)C=O,"InChI=1S/C15H22O/c1-2-3-4-5-6-7-8-14-9-11-15(13-16)12-10-14/h9-13H,2-8H2,1H3",IHKVZPVHTKOSLW-UHFFFAOYSA-N,C15H22O,218.33,218.1670653,5.2,17.1,168,0,0,1,8,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"PHENOL, 2-AMINO-6-CHLORO-4-NITRO-, MONOHYDROCHLORIDE",062625-14-3,12213213,2-amino-6-chloro-4-nitrophenol;hydrochloride,C1=C(C=C(C(=C1N)O)Cl)[N+](=O)[O-].Cl,"InChI=1S/C6H5ClN2O3.ClH/c7-4-1-3(9(11)12)2-5(8)6(4)10;/h1-2,10H,8H2;1H",HXKQPFKBBNRPEK-UHFFFAOYSA-N,C6H6Cl2N2O3,225.03,223.9755474,,92.1,184,0,3,4,0,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZOIC ACID, 2-HYDROXY-, 3-HEXENYL ESTER, (Z)-",065405-77-8,6021887,[(E)-hex-3-enyl] 2-hydroxybenzoate,CC/C=C/CCOC(=O)C1=CC=CC=C1O,"InChI=1S/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9,14H,2,7,10H2,1H3/b4-3+",IEPWIPZLLIOZLU-ONEGZZNKSA-N,C13H16O3,220.26,220.1099444,4.4,46.5,235,0,1,3,6,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,2-PROPANEDIONE, 1-PHENYL-, 2-[O-(ETHOXYCARBONYL)OXIME]",065894-76-0,9576244,ethyl [(E)-(1-oxo-1-phenylpropan-2-ylidene)amino] carbonate,CCOC(=O)O/N=C(\C)/C(=O)C1=CC=CC=C1,"InChI=1S/C12H13NO4/c1-3-16-12(15)17-13-9(2)11(14)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3/b13-9+",YDMWUMUNUXUYKT-UKTHLTGXSA-N,C12H13NO4,235.24,235.0844579,2.4,65,306,0,0,5,6,17,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENESULFONIC ACID, 4-[(1,3-DIOXOBUTYL)AMINO]-5-METHOXY-2-METHYL-, MONOAMMON",072705-22-7,175114,azanium 5-methoxy-2-methyl-4-(3-oxobutanoylamino)benzenesulfonate,CC1=CC(=C(C=C1S(=O)(=O)[O-])OC)NC(=O)CC(=O)C.[NH4+],"InChI=1S/C12H15NO6S.H3N/c1-7-4-9(13-12(15)5-8(2)14)10(19-3)6-11(7)20(16,17)18;/h4,6H,5H2,1-3H3,(H,13,15)(H,16,17,18);1H3",ZPDRZMNAFLBUOA-UHFFFAOYSA-N,C12H18N2O6S,318.35,318.0885575,,122,456,0,2,6,4,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
PENTACHLORONITROBENZENE,000082-68-8,6720,"1,2,3,4,5-pentachloro-6-nitrobenzene",C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-],InChI=1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9,LKPLKUMXSAEKID-UHFFFAOYSA-N,C6Cl5NO2,295.3,294.834217,4.2,45.8,219,0,0,2,0,14,,"622 °F at 760 mmHg (with some decomposition) (NTP, 1992)",1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
VANILLIN,000121-33-5,1183,4-hydroxy-3-methoxybenzaldehyde,COC1=C(C=CC(=C1)C=O)O,"InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3",MWOOGOJBHIARFG-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,1.2,46.5,135,0,1,3,2,11,153 °C (307 °F) - closed cup,"545 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
TRIFLURALIN,001582-09-8,5569,"2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline",CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],"InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3",ZSDSQXJSNMTJDA-UHFFFAOYSA-N,C13H16F3N3O4,335.28,335.1092905,5.3,94.9,392,0,0,8,5,23,"greater than 185 °F (NTP, 1992)","Decomposes (NTP, 1992)",1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
CINNAMALDEHYDE,000104-55-2,637511,(E)-3-phenylprop-2-enal,C1=CC=C(C=C1)/C=C/C=O,InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+,KJPRLNWUNMBNBZ-QPJJXVBHSA-N,C9H8O,132.16,132.0575149,1.9,17.1,121,0,0,1,2,10,160 °F,253 °C @ 760 MM HG (SLIGHT DECOMP),0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
4-FORMYLPHENYLBORONIC ACID,087199-17-5,591073,(4-formylphenyl)boronic acid,B(C1=CC=C(C=C1)C=O)(O)O,"InChI=1S/C7H7BO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5,10-11H",VXWBQOJISHAKKM-UHFFFAOYSA-N,C7H7BO3,149.94,150.0488242,,57.5,130,0,2,3,2,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
M-TETRAMETHYLXYLENE DIISOCYANATE,002778-42-9,17719,"1,3-bis(2-isocyanatopropan-2-yl)benzene",CC(C)(C1=CC(=CC=C1)C(C)(C)N=C=O)N=C=O,"InChI=1S/C14H16N2O2/c1-13(2,15-9-17)11-6-5-7-12(8-11)14(3,4)16-10-18/h5-8H,1-4H3",AZYRZNIYJDKRHO-UHFFFAOYSA-N,C14H16N2O2,244.29,244.1211778,4.6,58.9,353,0,0,4,4,18,,292 °C at 1013 hPa,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
METHYL 3-(4-HYDROXYPHENYL)ACRYLATE,019367-38-5,5319562,methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate,COC(=O)/C=C/C1=CC=C(C=C1)O,"InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+",NITWSHWHQAQBAW-QPJJXVBHSA-N,C10H10O3,178.18,178.0629942,2.3,46.5,190,0,1,3,3,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
2-BENZYLIDENEHEPTANAL,000122-40-7,31209,2-benzylideneheptanal,CCCCCC(=CC1=CC=CC=C1)C=O,"InChI=1S/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3",HMKKIXGYKWDQSV-UHFFFAOYSA-N,C14H18O,202.29,202.1357652,4.2,17.1,199,0,0,1,6,15,,284 °C,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-BUTEN-2-ONE, 4-(4-METHOXYPHENYL)-",000943-88-4,736889,(E)-4-(4-methoxyphenyl)but-3-en-2-one,CC(=O)/C=C/C1=CC=C(C=C1)OC,"InChI=1S/C11H12O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h3-8H,1-2H3/b4-3+",WRRZKDVBPZBNJN-ONEGZZNKSA-N,C11H12O2,176.21,176.0837296,2.1,26.3,188,0,0,2,3,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZOIC ACID, 2-HYDROXY-, HEXYL ESTER",006259-76-3,22629,hexyl 2-hydroxybenzoate,CCCCCCOC(=O)C1=CC=CC=C1O,"InChI=1S/C13H18O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h5-6,8-9,14H,2-4,7,10H2,1H3",DUKPKQFHJQGTGU-UHFFFAOYSA-N,C13H18O3,222.28,222.1255944,5.7,46.5,203,0,1,3,7,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0
"PHENOL, 4-(BUTOXYMETHYL)-2-METHOXY-",082654-98-6,5084146,4-(butoxymethyl)-2-methoxyphenol,CCCCOCC1=CC(=C(C=C1)O)OC,"InChI=1S/C12H18O3/c1-3-4-7-15-9-10-5-6-11(13)12(8-10)14-2/h5-6,8,13H,3-4,7,9H2,1-2H3",VLDFMKOUUQYFGF-UHFFFAOYSA-N,C12H18O3,210.27,210.1255944,1.8,38.7,161,0,1,3,6,15,,241.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"1,2-BENZENEDICARBOXYLIC ACID, 3,4,5,6-TETRABROMO-, BIS(2-ETHYLHEXYL) ESTER",026040-51-7,117291,"bis(2-ethylhexyl) 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate",CCCCC(CC)COC(=O)C1=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)OCC(CC)CCCC,"InChI=1S/C24H34Br4O4/c1-5-9-11-15(7-3)13-31-23(29)17-18(20(26)22(28)21(27)19(17)25)24(30)32-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3",UUEDINPOVKWVAZ-UHFFFAOYSA-N,C24H34Br4O4,706.1,705.91496,10.6,52.6,514,0,0,4,16,32,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
DIMETHYL TEREPHTHALATE,000120-61-6,8441,"dimethyl benzene-1,4-dicarboxylate",COC(=O)C1=CC=C(C=C1)C(=O)OC,"InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3",WOZVHXUHUFLZGK-UHFFFAOYSA-N,C10H10O4,194.18,194.0579088,2.2,52.6,192,0,0,4,4,14,"308 °F (NTP, 1992)","572 °F at 760 mmHg (sublimes) (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
CHLORAMPHENICOL,000056-75-7,5959,"2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide",C1=CC(=CC=C1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],"InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1",WIIZWVCIJKGZOK-RKDXNWHRSA-N,C11H12Cl2N2O5,323.13,322.0123269,1.1,115,342,0,3,5,5,20,,Sublimes in high vacuum,0,0,0,0,0,1,0,1,0,0,0,0,0,1,0,0,0,1,0,0
IRGANOX 1076,002082-79-3,16386,"octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate",CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,"InChI=1S/C35H62O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38-32(36)25-24-29-27-30(34(2,3)4)33(37)31(28-29)35(5,6)7/h27-28,37H,8-26H2,1-7H3",SSDSCDGVMJFTEQ-UHFFFAOYSA-N,C35H62O3,530.9,530.4698958,13.8,46.5,561,0,1,3,23,38,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
BENZOCAINE,000094-09-7,2337,ethyl 4-aminobenzoate,CCOC(=O)C1=CC=C(C=C1)N,"InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3",BLFLLBZGZJTVJG-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,1.9,52.3,151,0,1,3,3,12,,310 °C,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,1
ANTHRANILIC ACID,000118-92-3,227,2-aminobenzoic acid,C1=CC=C(C(=C1)C(=O)O)N,"InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)",RWZYAGGXGHYGMB-UHFFFAOYSA-N,C7H7NO2,137.14,137.0476785,1.2,63.3,136,0,2,3,1,10,"340 °F (NTP, 1992)","Sublimes (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
POTASSIUM BIPHTHALATE,000877-24-7,23676735,potassium 2-carboxybenzoate,C1=CC=C(C(=C1)C(=O)O)C(=O)[O-].[K+],"InChI=1S/C8H6O4.K/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+1/p-1",IWZKICVEHNUQTL-UHFFFAOYSA-M,C8H5KO4,204.22,203.9824901,,77.4,204,0,1,4,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
D(-)-MANDELIC ACID,000611-71-2,11914,(2R)-2-hydroxy-2-phenylacetic acid,C1=CC=C(C=C1)[C@H](C(=O)O)O,"InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m1/s1",IWYDHOAUDWTVEP-SSDOTTSWSA-N,C8H8O3,152.15,152.0473441,0.6,57.5,138,0,2,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-DIETHOXYBENZENE",002050-46-6,74904,"1,2-diethoxybenzene",CCOC1=CC=CC=C1OCC,"InChI=1S/C10H14O2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h5-8H,3-4H2,1-2H3",QZYDOKBVZJLQCK-UHFFFAOYSA-N,C10H14O2,166.22,166.0993797,2.4,18.5,100,0,0,2,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-PHENYL-1,3-PROPANEDIOL",001570-95-2,254178,"2-phenylpropane-1,3-diol",C1=CC=C(C=C1)C(CO)CO,"InChI=1S/C9H12O2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2",BPBDZXFJDMJLIB-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,0.6,40.5,93,0,2,2,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
N-ACETYL-L-TYROSINE,000537-55-3,68310,(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid,CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O,"InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m0/s1",CAHKINHBCWCHCF-JTQLQIEISA-N,C11H13NO4,223.22,223.0844579,-0.2,86.6,259,0,3,4,4,16,,530.00 to 533.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEACETIC ACID, SODIUM SALT",000114-70-5,23690424,sodium 2-phenylacetate,C1=CC=C(C=C1)CC(=O)[O-].[Na+],"InChI=1S/C8H8O2.Na/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1",HZOREEUASZHZBI-UHFFFAOYSA-M,C8H7NaO2,158.13,158.0343737,,40.1,119,0,0,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-BENZENEDISULFONIC ACID, 4-AMINO-",000137-51-9,67304,"4-aminobenzene-1,3-disulfonic acid",C1=CC(=C(C=C1S(=O)(=O)O)S(=O)(=O)O)N,"InChI=1S/C6H7NO6S2/c7-5-2-1-4(14(8,9)10)3-6(5)15(11,12)13/h1-3H,7H2,(H,8,9,10)(H,11,12,13)",IMUUNYPYNWXUBO-UHFFFAOYSA-N,C6H7NO6S2,253.3,252.9714793,-1.6,152,416,0,3,7,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ACETAMIDE, 2-AMINO-N-PHENYL-",000555-48-6,208384,2-amino-N-phenylacetamide,C1=CC=C(C=C1)NC(=O)CN,"InChI=1S/C8H10N2O/c9-6-8(11)10-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)",QRKJNCRCYBKANP-UHFFFAOYSA-N,C8H10N2O,150.18,150.0793129,0.2,55.1,130,0,2,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 3-IODO-, METHYL ESTER",000618-91-7,69258,methyl 3-iodobenzoate,COC(=O)C1=CC(=CC=C1)I,"InChI=1S/C8H7IO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3",NPXOIGSBRLCOSD-UHFFFAOYSA-N,C8H7IO2,262.04,261.94908,3.1,26.3,147,0,0,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-PROPANOL, 2-PHENOXY-",004169-04-4,20129,2-phenoxypropan-1-ol,CC(CO)OC1=CC=CC=C1,"InChI=1S/C9H12O2/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3",LOJHHQNEBFCTQK-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,1.6,29.5,97,0,1,2,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHINIC ACID, PHENYL-, SODIUM SALT",004297-95-4,6364990,sodium oxido-oxo-phenylphosphanium,C1=CC=C(C=C1)[P+](=O)[O-].[Na+],InChI=1S/C6H5O2P.Na/c7-9(8)6-4-2-1-3-5-6;/h1-5H;/q;+1,HHJJPFYGIRKQOM-UHFFFAOYSA-N,C6H5NaO2P+,163.07,162.9924857,,40.1,112,1,0,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 3-(DIETHYLAMINO)-, SODIUM SALT",005123-63-7,23669136,sodium 3-(diethylamino)benzenesulfonate,CCN(CC)C1=CC(=CC=C1)S(=O)(=O)[O-].[Na+],"InChI=1S/C10H15NO3S.Na/c1-3-11(4-2)9-6-5-7-10(8-9)15(12,13)14;/h5-8H,3-4H2,1-2H3,(H,12,13,14);/q;+1/p-1",YERLJJDMKZJPBL-UHFFFAOYSA-M,C10H14NNaO3S,251.28,251.0592088,,68.8,285,0,0,4,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 4-CHLORO-, SODIUM SALT",005138-90-9,517331,sodium 4-chlorobenzenesulfonate,C1=CC(=CC=C1S(=O)(=O)[O-])Cl.[Na+],"InChI=1S/C6H5ClO3S.Na/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,(H,8,9,10);/q;+1/p-1",XLKHCFJHGIAKFX-UHFFFAOYSA-M,C6H4ClNaO3S,214.6,213.9467371,,65.6,215,0,0,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"BENZENE, 1,2,4-TRICHLORO-5-METHYL-",006639-30-1,23128,"1,2,4-trichloro-5-methylbenzene",CC1=CC(=C(C=C1Cl)Cl)Cl,"InChI=1S/C7H5Cl3/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,1H3",ZCXHZKNWIYVQNC-UHFFFAOYSA-N,C7H5Cl3,195.5,193.945683,4.2,0,115,0,0,0,0,10,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
BENZENEOCTADECANOIC ACID,019740-00-2,88219,18-phenyloctadecanoic acid,C1=CC=C(C=C1)CCCCCCCCCCCCCCCCCC(=O)O,"InChI=1S/C24H40O2/c25-24(26)22-18-13-11-9-7-5-3-1-2-4-6-8-10-12-15-19-23-20-16-14-17-21-23/h14,16-17,20-21H,1-13,15,18-19,22H2,(H,25,26)",FVNFTAQJARARPD-UHFFFAOYSA-N,C24H40O2,360.6,360.3028305,9.5,37.3,307,0,1,2,18,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANAMIDE, N-(3-HYDROXYPHENYL)-3-OXO-",022016-03-1,89150,N-(3-hydroxyphenyl)-3-oxobutanamide,CC(=O)CC(=O)NC1=CC(=CC=C1)O,"InChI=1S/C10H11NO3/c1-7(12)5-10(14)11-8-3-2-4-9(13)6-8/h2-4,6,13H,5H2,1H3,(H,11,14)",NEHVFMRVVFBITB-UHFFFAOYSA-N,C10H11NO3,193.2,193.0738932,1.1,66.4,227,0,2,3,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANOL, 2-[(4-AMINO-2,5-DIMETHOXYPHENYL)SULFONYL]-, HYDROGEN SULFATE (ESTER)",026672-24-2,117838,"2-(4-amino-2,5-dimethoxyphenyl)sulfonylethyl hydrogen sulfate",COC1=CC(=C(C=C1N)OC)S(=O)(=O)CCOS(=O)(=O)O,"InChI=1S/C10H15NO8S2/c1-17-8-6-10(9(18-2)5-7(8)11)20(12,13)4-3-19-21(14,15)16/h5-6H,3-4,11H2,1-2H3,(H,14,15,16)",YTIYUMNTOZTPCC-UHFFFAOYSA-N,C10H15NO8S2,341.4,341.0239088,-0.6,159,520,0,2,9,7,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"BENZENESULFONIC ACID, 4-(DIETHYLAMINO)-, SODIUM SALT",070916-35-7,23673675,sodium 4-(diethylamino)benzenesulfonate,CCN(CC)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+],"InChI=1S/C10H15NO3S.Na/c1-3-11(4-2)9-5-7-10(8-6-9)15(12,13)14;/h5-8H,3-4H2,1-2H3,(H,12,13,14);/q;+1/p-1",QJBONFOEPUFXPR-UHFFFAOYSA-M,C10H14NNaO3S,251.28,251.0592088,,68.8,277,0,0,4,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanesulfonic acid, 2-(((methoxycarbonyl)amino)((2-nitro-5-(propylthio)phenyl",088255-01-0,71449,2-[[(methoxycarbonylamino)-(2-nitro-5-propylsulfanylanilino)methylidene]amino]ethanesulfonic acid,CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=NCCS(=O)(=O)O)NC(=O)OC,"InChI=1S/C14H20N4O7S2/c1-3-7-26-10-4-5-12(18(20)21)11(9-10)16-13(17-14(19)25-2)15-6-8-27(22,23)24/h4-5,9H,3,6-8H2,1-2H3,(H,22,23,24)(H2,15,16,17,19)",WCBVUETZRWGIJQ-UHFFFAOYSA-N,C14H20N4O7S2,420.5,420.0773413,1.9,197,630,0,3,9,10,27,,,0,0,1,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,1,0
DIMETHYL ISOPHTHALATE,001459-93-4,15088,"dimethyl benzene-1,3-dicarboxylate",COC(=O)C1=CC(=CC=C1)C(=O)OC,"InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3",VNGOYPQMJFJDLV-UHFFFAOYSA-N,C10H10O4,194.18,194.0579088,2.2,52.6,202,0,0,4,4,14,280 °F (138 °C) (Closed cup),282 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM BENZOATE,000532-32-1,517055,sodium benzoate,C1=CC=C(C=C1)C(=O)[O-].[Na+],"InChI=1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1",WXMKPNITSTVMEF-UHFFFAOYSA-M,C7H5NaO2,144.1,144.0187237,,40.1,108,0,0,2,1,10,>100 °C (>212 °F),">450 °C to <475 °C, decomposes with no boiling (OECD Guideline 103 (Boiling point/boiling range))",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,6-DIISOPROPYLANILINE",024544-04-5,32484,"2,6-di(propan-2-yl)aniline",CC(C)C1=C(C(=CC=C1)C(C)C)N,"InChI=1S/C12H19N/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,13H2,1-4H3",WKBALTUBRZPIPZ-UHFFFAOYSA-N,C12H19N,177.29,177.1517496,3.2,26,135,0,1,1,2,13,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
5-PHENYL-1-PENTYNE,001823-14-9,74573,pent-4-ynylbenzene,C#CCCCC1=CC=CC=C1,"InChI=1S/C11H12/c1-2-3-5-8-11-9-6-4-7-10-11/h1,4,6-7,9-10H,3,5,8H2",KOSORCNALVBYBP-UHFFFAOYSA-N,C11H12,144.21,144.0939004,3.8,0,131,0,0,0,3,11,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
P-TOLUENESULFONAMIDE,000070-55-3,6269,4-methylbenzenesulfonamide,CC1=CC=C(C=C1)S(=O)(=O)N,"InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)",LMYRWZFENFIFIT-UHFFFAOYSA-N,C7H9NO2S,171.22,171.0353997,0.8,68.5,209,0,1,3,1,11,202 °C (396 °F) Closed cup,BP: 214 °C at 10 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-DIBUTOXYBENZENE",000104-36-9,66911,"1,4-dibutoxybenzene",CCCCOC1=CC=C(C=C1)OCCCC,"InChI=1S/C14H22O2/c1-3-5-11-15-13-7-9-14(10-8-13)16-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3",ZROGCHDPRZRKTI-UHFFFAOYSA-N,C14H22O2,222.32,222.1619799,4.5,18.5,133,0,0,2,8,16,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM P-TOLYLSULFINATE,000824-79-3,2723791,sodium 4-methylbenzenesulfinate,CC1=CC=C(C=C1)S(=O)[O-].[Na+],"InChI=1S/C7H8O2S.Na/c1-6-2-4-7(5-3-6)10(8)9;/h2-5H,1H3,(H,8,9);/q;+1/p-1",KFZUDNZQQCWGKF-UHFFFAOYSA-M,C7H7NaO2S,178.19,178.0064449,,59.3,132,0,0,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
DL-B-PHENYLLACTIC ACID,000828-01-3,3848,2-hydroxy-3-phenylpropanoic acid,C1=CC=C(C=C1)CC(C(=O)O)O,"InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)",VOXXWSYKYCBWHO-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.1,57.5,150,0,2,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
1-TRIETHOXYSILYL-4-TRIFLUOROMETHYLBENZENE,188748-63-2,11858742,triethoxy-[4-(trifluoromethyl)phenyl]silane,CCO[Si](C1=CC=C(C=C1)C(F)(F)F)(OCC)OCC,"InChI=1S/C13H19F3O3Si/c1-4-17-20(18-5-2,19-6-3)12-9-7-11(8-10-12)13(14,15)16/h7-10H,4-6H2,1-3H3",PBTDWUVVCOLMFE-UHFFFAOYSA-N,C13H19F3O3Si,308.37,308.1055555,,27.7,262,0,0,6,7,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
H-GLU(OBZL)-OH,002578-33-8,6994624,(2R)-2-amino-5-oxo-5-phenylmethoxypentanoic acid,C1=CC=C(C=C1)COC(=O)CC[C@H](C(=O)O)N,"InChI=1S/C12H15NO4/c13-10(12(15)16)6-7-11(14)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,15,16)/t10-/m1/s1",BGGHCRNCRWQABU-SNVBAGLBSA-N,C12H15NO4,237.25,237.100108,-1.7,89.6,261,0,2,5,7,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"3,4-DIMETHOXYSTYRENE",006380-23-0,61400,"4-ethenyl-1,2-dimethoxybenzene",COC1=C(C=C(C=C1)C=C)OC,"InChI=1S/C10H12O2/c1-4-8-5-6-9(11-2)10(7-8)12-3/h4-7H,1H2,2-3H3",NJXYTXADXSRFTJ-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,2.3,18.5,145,0,0,2,3,12,,203.00 to 205.00 °C. @ 20.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
BENZYL ISOTHIOCYANATE,000622-78-6,2346,isothiocyanatomethylbenzene,C1=CC=C(C=C1)CN=C=S,"InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2",MDKCFLQDBWCQCV-UHFFFAOYSA-N,C8H7NS,149.21,149.0299204,3.2,44.5,132,0,0,2,2,10,,242.00 to 243.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"1,3,5-TRIETHYNYLBENZENE",007567-63-7,139048,"1,3,5-triethynylbenzene",C#CC1=CC(=CC(=C1)C#C)C#C,"InChI=1S/C12H6/c1-4-10-7-11(5-2)9-12(6-3)8-10/h1-3,7-9H",ZDRMMTYSQSIGRY-UHFFFAOYSA-N,C12H6,150.18,150.0469502,2.7,0,230,0,0,0,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"GLYCINE, 4-METHYLBENZENESULFONATE",004571-30-6,6452034,2-aminoacetic acid;4-methylbenzenesulfonic acid,CC1=CC=C(C=C1)S(=O)(=O)O.C(C(=O)O)N,"InChI=1S/C7H8O3S.C2H5NO2/c1-6-2-4-7(5-3-6)11(8,9)10;3-1-2(4)5/h2-5H,1H3,(H,8,9,10);1,3H2,(H,4,5)",REKJMSPJAIXEQJ-UHFFFAOYSA-N,C9H13NO5S,247.27,247.0514437,,126,249,0,3,6,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
FENURON,000101-42-8,7560,"1,1-dimethyl-3-phenylurea",CN(C)C(=O)NC1=CC=CC=C1,"InChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)",XXOYNJXVWVNOOJ-UHFFFAOYSA-N,C9H12N2O,164.2,164.094963,1,32.3,151,0,1,1,1,12,,,1,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,1
1-TERT-BUTYL-4-IODOBENZE,035779-04-5,142029,1-tert-butyl-4-iodobenzene,CC(C)(C)C1=CC=C(C=C1)I,"InChI=1S/C10H13I/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3",WQVIVQDHNKQWTM-UHFFFAOYSA-N,C10H13I,260.11,260.0062,5.1,0,115,0,0,0,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-PROPENOIC ACID, 3-PHENYL-, 1-ETHENYL-1,5-DIMETHYL-4-HEXENYL ESTER",000078-37-5,5355858,"3,7-dimethylocta-1,6-dien-3-yl (E)-3-phenylprop-2-enoate",CC(=CCCC(C)(C=C)OC(=O)/C=C/C1=CC=CC=C1)C,"InChI=1S/C19H24O2/c1-5-19(4,15-9-10-16(2)3)21-18(20)14-13-17-11-7-6-8-12-17/h5-8,10-14H,1,9,15H2,2-4H3/b14-13+",DPFUEXLIKDHJNB-BUHFOSPRSA-N,C19H24O2,284.4,284.17763,5.4,26.3,396,0,0,2,8,21,,353.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
2-METHYL-BENZENESULFONAMIDE,000088-19-7,6924,2-methylbenzenesulfonamide,CC1=CC=CC=C1S(=O)(=O)N,"InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)",YCMLQMDWSXFTIF-UHFFFAOYSA-N,C7H9NO2S,171.22,171.0353997,0.8,68.5,217,0,1,3,1,11,,214 °C at 10 mm Hg,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1-CHLORO-2,5-DIETHOXY-4-NITRO-",000091-43-0,66675,"1-chloro-2,5-diethoxy-4-nitrobenzene",CCOC1=CC(=C(C=C1[N+](=O)[O-])OCC)Cl,"InChI=1S/C10H12ClNO4/c1-3-15-9-6-8(12(13)14)10(16-4-2)5-7(9)11/h5-6H,3-4H2,1-2H3",HWLDAZMGMQYWGW-UHFFFAOYSA-N,C10H12ClNO4,245.66,245.0454856,3.1,64.3,233,0,0,4,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1-CHLORO-2,4-DIMETHOXY-5-NITRO-",000119-21-1,8383,"1-chloro-2,4-dimethoxy-5-nitrobenzene",COC1=CC(=C(C=C1[N+](=O)[O-])Cl)OC,"InChI=1S/C8H8ClNO4/c1-13-7-4-8(14-2)6(10(11)12)3-5(7)9/h3-4H,1-2H3",MEIDXJUMYYOXHN-UHFFFAOYSA-N,C8H8ClNO4,217.6,217.0141854,2.3,64.3,208,0,0,4,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, BENZOATE",000126-64-7,31353,"3,7-dimethylocta-1,6-dien-3-yl benzoate",CC(=CCCC(C)(C=C)OC(=O)C1=CC=CC=C1)C,"InChI=1S/C17H22O2/c1-5-17(4,13-9-10-14(2)3)19-16(18)15-11-7-6-8-12-15/h5-8,10-12H,1,9,13H2,2-4H3",BTJXBZZBBNNTOV-UHFFFAOYSA-N,C17H22O2,258.35,258.1619799,5,26.3,333,0,0,2,7,19,,263.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENETHIOL, PENTACHLORO-",000133-49-3,8620,"2,3,4,5,6-pentachlorobenzenethiol",C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)S,InChI=1S/C6HCl5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H,LLMLGZUZTFMXSA-UHFFFAOYSA-N,C6HCl5S,282.4,281.82121,5.2,1,150,0,1,1,0,12,>300 °C closed cup,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONAMIDE, 4-CHLORO-N-METHYL-3-NITRO-",000137-48-4,67301,4-chloro-N-methyl-3-nitrobenzenesulfonamide,CNS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-],"InChI=1S/C7H7ClN2O4S/c1-9-15(13,14)5-2-3-6(8)7(4-5)10(11)12/h2-4,9H,1H3",UMNGEAKUUOJPAX-UHFFFAOYSA-N,C7H7ClN2O4S,250.66,249.9815056,1.2,100,334,0,1,5,2,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
"BENZENEMETHANOL, .ALPHA.-BUTYL-",000583-03-9,3338,1-phenylpentan-1-ol,CCCCC(C1=CC=CC=C1)O,"InChI=1S/C11H16O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,2-3,9H2,1H3",OVGORFFCBUIFIA-UHFFFAOYSA-N,C11H16O,164.24,164.1201151,2.9,20.2,106,0,1,1,4,12,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
BENZENEHEXOL,000608-80-0,69102,"benzene-1,2,3,4,5,6-hexol",C1(=C(C(=C(C(=C1O)O)O)O)O)O,InChI=1S/C6H6O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-12H,VWPUAXALDFFXJW-UHFFFAOYSA-N,C6H6O6,174.11,174.0164379,-0.2,121,104,0,6,6,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZALDEHYDE, 3-METHYL-",000620-23-5,12105,3-methylbenzaldehyde,CC1=CC(=CC=C1)C=O,"InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3",OVWYEQOVUDKZNU-UHFFFAOYSA-N,C8H8O,120.15,120.0575149,2,17.1,98,0,0,1,1,9,,199 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 2-CHLORO-5-NITRO-, SODIUM SALT",000946-30-5,70350,sodium 2-chloro-5-nitrobenzenesulfonate,C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)[O-])Cl.[Na+],"InChI=1S/C6H4ClNO5S.Na/c7-5-2-1-4(8(9)10)3-6(5)14(11,12)13;/h1-3H,(H,11,12,13);/q;+1/p-1",OUERFXCJVYJQJO-UHFFFAOYSA-M,C6H3ClNNaO5S,259.6,258.9318153,,111,305,0,0,5,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEACETIC ACID, .ALPHA.-[(3-ETHOXY-1-METHYL-3-OXO-1-PROPENYL)AMINO]-, MONO",000961-69-3,23674861,potassium (2R)-2-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-2-phenylacetate,CCOC(=O)/C=C(\C)/N[C@H](C1=CC=CC=C1)C(=O)[O-].[K+],"InChI=1S/C14H17NO4.K/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11;/h4-9,13,15H,3H2,1-2H3,(H,17,18);/q;+1/p-1/b10-9+;/t13-;/m1./s1",QMWWAEFYIXXXQW-VMEHJNRZSA-M,C14H16KNO4,301.38,301.0716395,,78.5,351,0,1,5,7,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANONE, 1-(2,4,5-TRIMETHOXYPHENYL)-",001818-28-6,74560,"1-(2,4,5-trimethoxyphenyl)ethanone",CC(=O)C1=CC(=C(C=C1OC)OC)OC,"InChI=1S/C11H14O4/c1-7(12)8-5-10(14-3)11(15-4)6-9(8)13-2/h5-6H,1-4H3",GUTMBHHLVSFJIP-UHFFFAOYSA-N,C11H14O4,210.23,210.0892089,1.5,44.8,217,0,0,4,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANONE, 2,2-DICHLORO-1-(2,4-DICHLOROPHENYL)-",002274-66-0,75284,"2,2-dichloro-1-(2,4-dichlorophenyl)ethanone",C1=CC(=C(C=C1Cl)Cl)C(=O)C(Cl)Cl,"InChI=1S/C8H4Cl4O/c9-4-1-2-5(6(10)3-4)7(13)8(11)12/h1-3,8H",LRXWJPURTZCTEH-UHFFFAOYSA-N,C8H4Cl4O,257.9,257.898675,4.2,17.1,195,0,0,1,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
DIMETHYLAMINE DICAMBA,002300-66-5,16811,"3,6-dichloro-2-methoxybenzoic acid;N-methylmethanamine",CNC.COC1=C(C=CC(=C1C(=O)O)Cl)Cl,"InChI=1S/C8H6Cl2O3.C2H7N/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;1-3-2/h2-3H,1H3,(H,11,12);3H,1-2H3",JDRFUUBRGGDEIZ-UHFFFAOYSA-N,C10H13Cl2NO3,266.12,265.0272487,,58.6,201,0,2,4,2,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"THIOUREA, N-ETHYL-N-PHENYL-",003955-58-6,825369,1-ethyl-1-phenylthiourea,CCN(C1=CC=CC=C1)C(=S)N,"InChI=1S/C9H12N2S/c1-2-11(9(10)12)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,12)",XVNPNGPNQJUMSL-UHFFFAOYSA-N,C9H12N2S,180.27,180.0721196,1.7,61.4,153,0,1,1,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-BENZENEDICARBOXYLIC ACID, DIPOTASSIUM SALT",004409-98-7,78125,dipotassium;phthalate,C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].[K+].[K+],"InChI=1S/C8H6O4.2K/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;/q;2*+1/p-2",GOMCKELMLXHYHH-UHFFFAOYSA-L,C8H4K2O4,242.31,241.9383716,,80.3,166,0,0,4,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"SILANOL, DIMETHYLPHENYL-",005272-18-4,78929,hydroxy-dimethyl-phenylsilane,C[Si](C)(C1=CC=CC=C1)O,"InChI=1S/C8H12OSi/c1-10(2,9)8-6-4-3-5-7-8/h3-7,9H,1-2H3",FDTBETCIPGWBHK-UHFFFAOYSA-N,C8H12OSi,152.26,152.0657415,,20.2,106,0,1,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 5-(1,1-DIMETHYLETHYL)-2-METHYL-",005781-02-2,79845,5-tert-butyl-2-methylphenol,CC1=C(C=C(C=C1)C(C)(C)C)O,"InChI=1S/C11H16O/c1-8-5-6-9(7-10(8)12)11(2,3)4/h5-7,12H,1-4H3",FLSBACIXSFRPLT-UHFFFAOYSA-N,C11H16O,164.24,164.1201151,3.6,20.2,146,0,1,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 3-AMINO-5-CHLORO-4-HYDROXY-",005857-94-3,22133,3-amino-5-chloro-4-hydroxybenzenesulfonic acid,C1=C(C=C(C(=C1N)O)Cl)S(=O)(=O)O,"InChI=1S/C6H6ClNO4S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2,9H,8H2,(H,10,11,12)",QGTXBWMKRGHPDD-UHFFFAOYSA-N,C6H6ClNO4S,223.63,222.9706065,0.4,109,275,0,3,5,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 3-IODO-5-NITRO-",006313-17-3,80580,3-iodo-5-nitrobenzoic acid,C1=C(C=C(C=C1[N+](=O)[O-])I)C(=O)O,"InChI=1S/C7H4INO4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,(H,10,11)",GFGURBBHVJTXDU-UHFFFAOYSA-N,C7H4INO4,293.02,292.91851,1.9,83.1,227,0,1,4,1,13,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONAMIDE, 3-AMINO-N,N,4-TRIMETHYL-",006331-68-6,235528,"3-amino-N,N,4-trimethylbenzenesulfonamide",CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)N,"InChI=1S/C9H14N2O2S/c1-7-4-5-8(6-9(7)10)14(12,13)11(2)3/h4-6H,10H2,1-3H3",PNFOLOVDVLPCBX-UHFFFAOYSA-N,C9H14N2O2S,214.29,214.0775989,0,71.8,282,0,1,4,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 5-BROMO-2,4-DIHYDROXY-",007355-22-8,81814,"5-bromo-2,4-dihydroxybenzoic acid",C1=C(C(=CC(=C1Br)O)O)C(=O)O,"InChI=1S/C7H5BrO4/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2,9-10H,(H,11,12)",ZRBCISXJLHZOMS-UHFFFAOYSA-N,C7H5BrO4,233.02,231.93712,2,77.8,184,0,3,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANEDIOIC ACID, [(4-METHOXYPHENYL)METHYLENE]-, DIMETHYL ESTER",007443-25-6,100478,dimethyl 2-[(4-methoxyphenyl)methylidene]propanedioate,COC1=CC=C(C=C1)C=C(C(=O)OC)C(=O)OC,"InChI=1S/C13H14O5/c1-16-10-6-4-9(5-7-10)8-11(12(14)17-2)13(15)18-3/h4-8H,1-3H3",JMFYZMAVUHNCPW-UHFFFAOYSA-N,C13H14O5,250.25,250.0841235,2.5,61.8,308,0,0,5,6,18,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 2,4-DICHLORO-1-(TRICHLOROMETHYL)-",013014-18-1,25607,"2,4-dichloro-1-(trichloromethyl)benzene",C1=CC(=C(C=C1Cl)Cl)C(Cl)(Cl)Cl,"InChI=1S/C7H3Cl5/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H",KZSNBJMYJWDVTK-UHFFFAOYSA-N,C7H3Cl5,264.4,263.864788,5.5,0,152,0,0,0,0,12,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, 2-CHLORO-4-(METHYLSULFONYL)-",013244-35-4,25801,2-chloro-4-methylsulfonylaniline,CS(=O)(=O)C1=CC(=C(C=C1)N)Cl,"InChI=1S/C7H8ClNO2S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3",VLMRGLCBIFWPGL-UHFFFAOYSA-N,C7H8ClNO2S,205.66,204.9964274,1.5,68.5,247,0,1,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ACETONITRILE, [[(4-METHYLPHENYL)SULFONYL]OXY]-",014562-04-0,84525,cyanomethyl 4-methylbenzenesulfonate,CC1=CC=C(C=C1)S(=O)(=O)OCC#N,"InChI=1S/C9H9NO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,7H2,1H3",PFXOLUYGXYEFOR-UHFFFAOYSA-N,C9H9NO3S,211.24,211.0303143,1.4,75.5,314,0,0,4,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, (1-METHYLETHYL)-, MONOSULFO DERIV., SODIUM SALT",032073-22-6,23679813,sodium 4-propan-2-ylbenzenesulfonate,CC(C)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+],"InChI=1S/C9H12O3S.Na/c1-7(2)8-3-5-9(6-4-8)13(10,11)12;/h3-7H,1-2H3,(H,10,11,12);/q;+1/p-1",QEKATQBVVAZOAY-UHFFFAOYSA-M,C9H11NaO3S,222.24,222.0326597,,65.6,248,0,0,3,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-BENZENEDICARBOXYLIC ACID, 4-SULFO-, MONOSODIUM SALT",033562-89-9,23668509,sodium 2-carboxy-4-sulfobenzoate,C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)C(=O)[O-].[Na+],"InChI=1S/C8H6O7S.Na/c9-7(10)5-2-1-4(16(13,14)15)3-6(5)8(11)12;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);/q;+1/p-1",SKFJOGJJIJEGMQ-UHFFFAOYSA-M,C8H5NaO7S,268.18,267.965368,,140,399,0,2,7,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ACETAMIDE, N-(2,5-DICHLORO-4-NITROPHENYL)-",038411-17-5,38023,"N-(2,5-dichloro-4-nitrophenyl)acetamide",CC(=O)NC1=CC(=C(C=C1Cl)[N+](=O)[O-])Cl,"InChI=1S/C8H6Cl2N2O3/c1-4(13)11-7-2-6(10)8(12(14)15)3-5(7)9/h2-3H,1H3,(H,11,13)",YOKGZPNQGIYATO-UHFFFAOYSA-N,C8H6Cl2N2O3,249.05,247.9755474,2.6,74.9,269,0,1,3,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"UNDECANOIC ACID, PHENYL-",050696-68-9,76863,11-phenylundecanoic acid,C1=CC=C(C=C1)CCCCCCCCCCC(=O)O,"InChI=1S/C17H26O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h7,9-10,13-14H,1-6,8,11-12,15H2,(H,18,19)",AUQIXRHHSITZFM-UHFFFAOYSA-N,C17H26O2,262.4,262.1932801,5.7,37.3,219,0,1,2,11,19,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEPROPANOL, .ALPHA.,.BETA.,.BETA.-TRIMETHYL-",067682-19-3,106769,"3,3-dimethyl-4-phenylbutan-2-ol",CC(C(C)(C)CC1=CC=CC=C1)O,"InChI=1S/C12H18O/c1-10(13)12(2,3)9-11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3",IKPBBBOULQXHTE-UHFFFAOYSA-N,C12H18O,178.27,178.1357652,3.1,20.2,145,0,1,1,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ACETAMIDE, N-[2-(TETRADECYLOXY)PHENYL]-",067990-10-7,106305,N-(2-tetradecoxyphenyl)acetamide,CCCCCCCCCCCCCCOC1=CC=CC=C1NC(=O)C,"InChI=1S/C22H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-25-22-18-15-14-17-21(22)23-20(2)24/h14-15,17-18H,3-13,16,19H2,1-2H3,(H,23,24)",KRMVKLLDHVNWEK-UHFFFAOYSA-N,C22H37NO2,347.5,347.2824294,7.8,38.3,319,0,1,2,15,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 4-[2-(AMINOTHIOXOMETHYL)HYDRAZINO]-, MONOPOTASSIUM SALT",068025-19-4,23695345,potassium 4-(2-carbamothioylhydrazinyl)benzenesulfonate,C1=CC(=CC=C1NNC(=S)N)S(=O)(=O)[O-].[K+],"InChI=1S/C7H9N3O3S2.K/c8-7(14)10-9-5-1-3-6(4-2-5)15(11,12)13;/h1-4,9H,(H3,8,10,14)(H,11,12,13);/q;+1/p-1",ZSSVNCUIOBJFPJ-UHFFFAOYSA-M,C7H8KN3O3S2,285.4,284.964415,,148,322,0,3,5,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, [2-(1-METHYLETHOXY)ETHYL]-",068039-47-4,106442,2-propan-2-yloxyethylbenzene,CC(C)OCCC1=CC=CC=C1,"InChI=1S/C11H16O/c1-10(2)12-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",FMPXLXBVYDFXIC-UHFFFAOYSA-N,C11H16O,164.24,164.1201151,2.8,9.2,104,0,0,1,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONAMIDE, 4-CHLORO-N-(3-METHOXYPROPYL)-3-NITRO-",068959-43-3,111966,4-chloro-N-(3-methoxypropyl)-3-nitrobenzenesulfonamide,COCCCNS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-],"InChI=1S/C10H13ClN2O5S/c1-18-6-2-5-12-19(16,17)8-3-4-9(11)10(7-8)13(14)15/h3-4,7,12H,2,5-6H2,1H3",YAWMNZHPWVHLMW-UHFFFAOYSA-N,C10H13ClN2O5S,308.74,308.0233704,1.6,110,392,0,1,6,6,19,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
"BUTANAMIDE, N,2-DIMETHYL-N-PHENYL-",084434-18-4,163414,"N,2-dimethyl-N-phenylbutanamide",CCC(C)C(=O)N(C)C1=CC=CC=C1,"InChI=1S/C12H17NO/c1-4-10(2)12(14)13(3)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3",LNODIGSABOGNBQ-UHFFFAOYSA-N,C12H17NO,191.27,191.1310142,2.7,20.3,185,0,0,1,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"5-NITRO-1,3-BENZENEDICARBOXYLIC ACID, ZINC SALT",060580-61-2,6454008,"zinc 5-nitrobenzene-1,3-dicarboxylate",C1=C(C=C(C=C1C(=O)[O-])[N+](=O)[O-])C(=O)[O-].[Zn+2],"InChI=1S/C8H5NO6.Zn/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;/h1-3H,(H,10,11)(H,12,13);/q;+2/p-2",FJVOQPCCHVJZTR-UHFFFAOYSA-L,C8H3NO6Zn,274.5,272.925179,,126,263,0,0,6,0,16,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
D-(+)-GLUCOSE MONOHYDRATE,1108148-95-3,71312534,"5-(1,1,2,2-tetradeuteriononadecyl)benzene-1,3-diol",[2H]C([2H])(CCCCCCCCCCCCCCCCC)C([2H])([2H])C1=CC(=CC(=C1)O)O,"InChI=1S/C25H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h20-22,26-27H,2-19H2,1H3/i18D2,19D2",PUNOCEUUYUXUGR-AUZVCRNNSA-N,C25H44O2,380.6,380.3592376,11.2,40.5,295,0,2,2,18,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
SODIUM CUMENE SULFONATE,028348-53-0,23665765,sodium 2-propan-2-ylbenzenesulfonate,CC(C)C1=CC=CC=C1S(=O)(=O)[O-].[Na+],"InChI=1S/C9H12O3S.Na/c1-7(2)8-5-3-4-6-9(8)13(10,11)12;/h3-7H,1-2H3,(H,10,11,12);/q;+1/p-1",GIPRGFRQMWSHAK-UHFFFAOYSA-M,C9H11NaO3S,222.24,222.0326597,,65.6,256,0,0,3,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
ETHYL VANILLIN,000121-32-4,8467,3-ethoxy-4-hydroxybenzaldehyde,CCOC1=C(C=CC(=C1)C=O)O,"InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3",CBOQJANXLMLOSS-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.6,46.5,147,0,1,3,3,12,145 °C (293 °F) - closed cup,285 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANESULFONIC ACID, 2-[2-[2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY]ETHOX",002917-94-4,23691009,"sodium 2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethanesulfonate",CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCOCCS(=O)(=O)[O-].[Na+],"InChI=1S/C20H34O6S.Na/c1-19(2,3)16-20(4,5)17-6-8-18(9-7-17)26-13-12-24-10-11-25-14-15-27(21,22)23;/h6-9H,10-16H2,1-5H3,(H,21,22,23);/q;+1/p-1",FCZYGJBVLGLYQU-UHFFFAOYSA-M,C20H33NaO6S,424.5,424.1895542,,93.3,502,0,0,6,13,28,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-(NONYLPHENYL)-.OMEGA.-HYDROXY-, PHOSPHATE, A",068511-21-7,138401393,azane;2-(3-nonylphenoxy)ethanol;phosphoric acid,CCCCCCCCCC1=CC(=CC=C1)OCCO.N.OP(=O)(O)O,"InChI=1S/C17H28O2.H3N.H3O4P/c1-2-3-4-5-6-7-8-10-16-11-9-12-17(15-16)19-14-13-18;;1-5(2,3)4/h9,11-12,15,18H,2-8,10,13-14H2,1H3;1H3;(H3,1,2,3,4)",LESIUMNEFJXNGW-UHFFFAOYSA-N,C17H34NO6P,379.4,379.2123748,,108,243,0,5,7,11,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"CARBAMIC ACID, (5-ISOCYANATO-2-METHYLPHENYL)-, 2-ETHYLHEXYL ESTER",068938-61-4,111459,2-ethylhexyl N-(5-isocyanato-2-methylphenyl)carbamate,CCCCC(CC)COC(=O)NC1=C(C=CC(=C1)N=C=O)C,"InChI=1S/C17H24N2O3/c1-4-6-7-14(5-2)11-22-17(21)19-16-10-15(18-12-20)9-8-13(16)3/h8-10,14H,4-7,11H2,1-3H3,(H,19,21)",MWWURILGWWGBNV-UHFFFAOYSA-N,C17H24N2O3,304.4,304.1786926,5.8,67.8,380,0,1,4,9,22,,,0,0,1,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0
"[1,2-BENZENEDICARBOXYLATO(2-)]DIOXOTRILEAD",069011-06-9,90659577,tris(lead(2+));bis(oxygen(2-));phthalate,C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].[O-2].[O-2].[Pb+2].[Pb+2].[Pb+2],"InChI=1S/C8H6O4.2O.3Pb/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;;;/h1-4H,(H,9,10)(H,11,12);;;;;/q;2*-2;3*+2/p-2",LCMZLEGVLPHFGA-UHFFFAOYSA-L,C8H4O6Pb3,820,817.92856,,82.3,166,0,0,6,0,17,,,0,0,1,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"2,6-DINITRO-N1,N1-DIPROPYL-4-(TRIFLUOROMETHYL)-1,3-BENZENEDIAMINE",029091-21-2,34469,"2,4-dinitro-3-N,3-N-dipropyl-6-(trifluoromethyl)benzene-1,3-diamine",CCCN(CCC)C1=C(C=C(C(=C1[N+](=O)[O-])N)C(F)(F)F)[N+](=O)[O-],"InChI=1S/C13H17F3N4O4/c1-3-5-18(6-4-2)11-9(19(21)22)7-8(13(14,15)16)10(17)12(11)20(23)24/h7H,3-6,17H2,1-2H3",RSVPPPHXAASNOL-UHFFFAOYSA-N,C13H17F3N4O4,350.29,350.1201895,4.2,121,446,0,1,9,5,24,,,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
O-CHLOROTOLUENE,000095-49-8,7238,1-chloro-2-methylbenzene,CC1=CC=CC=C1Cl,"InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3",IBSQPLPBRSHTTG-UHFFFAOYSA-N,C7H7Cl,126.58,126.0236279,3.4,0,70,0,0,0,0,8,"126 °F (NTP, 1992)","318.15 °F at 760 mmHg (NTP, 1992)",0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
M-CHLOROTOLUENE,000108-41-8,7931,1-chloro-3-methylbenzene,CC1=CC(=CC=C1)Cl,"InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3",OSOUNOBYRMOXQQ-UHFFFAOYSA-N,C7H7Cl,126.58,126.0236279,3.3,0,70,0,0,0,0,8,"126 °F (NTP, 1992)","324 °F at 760 mmHg (NTP, 1992)",0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-METHYLSTYRENE,000611-15-4,11904,1-ethenyl-2-methylbenzene,CC1=CC=CC=C1C=C,"InChI=1S/C9H10/c1-3-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3",NVZWEEGUWXZOKI-UHFFFAOYSA-N,C9H10,118.18,118.0782503,3.2,0,94,0,0,0,1,9,58 °C (136 °F) - closed cup,170 °C,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1,4-DICHLORO-2-METHYL-",019398-61-9,29572,"1,4-dichloro-2-methylbenzene",CC1=C(C=CC(=C1)Cl)Cl,"InChI=1S/C7H6Cl2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3",KFAKZJUYBOYVKA-UHFFFAOYSA-N,C7H6Cl2,161.03,159.9846556,4.1,0,92,0,0,0,0,9,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1,2-DICHLORO-3-METHYL-",032768-54-0,34702,"1,2-dichloro-3-methylbenzene",CC1=C(C(=CC=C1)Cl)Cl,"InChI=1S/C7H6Cl2/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3",GWLKCPXYBLCEKC-UHFFFAOYSA-N,C7H6Cl2,161.03,159.9846556,3.5,0,92,0,0,0,0,9,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-NITROPHENYL PHOSPHATE DISODIUM SALT HEXAHYDRATE,333338-18-4,2723710,disodium;(4-nitrophenyl) phosphate;hexahydrate,C1=CC(=CC=C1[N+](=O)[O-])OP(=O)([O-])[O-].O.O.O.O.O.O.[Na+].[Na+],"InChI=1S/C6H6NO6P.2Na.6H2O/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;;;;;;;;/h1-4H,(H2,10,11,12);;;6*1H2/q;2*+1;;;;;;/p-2",KAKKHKRHCKCAGH-UHFFFAOYSA-L,C6H16NNa2O12P,371.14,371.0205505,,124,238,0,6,12,1,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"1,2-BENZENEDICARBOXYLIC ACID, BUTYL OCTYL ESTER",000084-78-6,66540,"1-O-butyl 2-O-octyl benzene-1,2-dicarboxylate",CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC,"InChI=1S/C20H30O4/c1-3-5-7-8-9-12-16-24-20(22)18-14-11-10-13-17(18)19(21)23-15-6-4-2/h10-11,13-14H,3-9,12,15-16H2,1-2H3",MURWRBWZIMXKGC-UHFFFAOYSA-N,C20H30O4,334.4,334.2144094,6.9,52.6,354,0,0,4,14,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1
3-METHYLMETHCATHINONE,1246816-62-5,71741532,2-(methylamino)-1-(3-methylphenyl)propan-1-one,CC1=CC(=CC=C1)C(=O)C(C)NC,"InChI=1S/C11H15NO/c1-8-5-4-6-10(7-8)11(13)9(2)12-3/h4-7,9,12H,1-3H3",QDNXSIYWHYGMCD-UHFFFAOYSA-N,C11H15NO,177.24,177.1153641,2,29.1,179,0,1,2,3,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"BENZENESULFONAMIDE, N-ETHYL-2-METHYL-",001077-56-1,14110,N-ethyl-2-methylbenzenesulfonamide,CCNS(=O)(=O)C1=CC=CC=C1C,"InChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3",NATWUQFQFMZVMT-UHFFFAOYSA-N,C9H13NO2S,199.27,199.0666998,1.6,54.6,243,0,1,3,3,13,"greater than 200 °F (NTP, 1992)",,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1
HC BLUE NO. 1,002784-94-3,17734,2-[N-(2-hydroxyethyl)-4-(methylamino)-3-nitroanilino]ethanol,CNC1=C(C=C(C=C1)N(CCO)CCO)[N+](=O)[O-],"InChI=1S/C11H17N3O4/c1-12-10-3-2-9(8-11(10)14(17)18)13(4-6-15)5-7-16/h2-3,8,12,15-16H,4-7H2,1H3",MWJSMPQOVHQYTE-UHFFFAOYSA-N,C11H17N3O4,255.27,255.121906,1,102,253,0,3,6,6,18,,,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
4-NITROANISOLE,000100-17-4,7485,1-methoxy-4-nitrobenzene,COC1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3",BNUHAJGCKIQFGE-UHFFFAOYSA-N,C7H7NO3,153.14,153.0425931,2,55.1,135,0,0,3,1,11,"greater than 230 °F (NTP, 1992)","531 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0
"2,5-DICHLORONITROBENZENE",000089-61-2,6977,"1,4-dichloro-2-nitrobenzene",C1=CC(=C(C=C1Cl)[N+](=O)[O-])Cl,InChI=1S/C6H3Cl2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,RZKKOBGFCAHLCZ-UHFFFAOYSA-N,C6H3Cl2NO2,192,190.9540837,2.9,45.8,159,0,0,2,0,11,135 °C,267 °C,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIURON,000330-54-1,3120,"3-(3,4-dichlorophenyl)-1,1-dimethylurea",CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl,"InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)",XMTQQYYKAHVGBJ-UHFFFAOYSA-N,C9H10Cl2N2O,233.09,232.0170183,2.7,32.3,211,0,1,1,1,14,,"356 to 374 °F at 760 mmHg (USCG, 1999)",1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
DIPROPYL PHTHALATE,000131-16-8,8559,"dipropyl benzene-1,2-dicarboxylate",CCCOC(=O)C1=CC=CC=C1C(=O)OCCC,"InChI=1S/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3",MQHNKCZKNAJROC-UHFFFAOYSA-N,C14H18O4,250.29,250.1205091,4,52.6,247,0,0,4,8,18,,"579 to 581 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Acetamide, 2,2-dichloro-N-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenethyl",000982-57-0,656833,"sodium 4-[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoate",C1=CC(=CC=C1[C@H]([C@@H](COC(=O)CCC(=O)[O-])NC(=O)C(Cl)Cl)O)[N+](=O)[O-].[Na+],"InChI=1S/C15H16Cl2N2O8.Na/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26;/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21);/q;+1/p-1/t10-,13-;/m1./s1",RPLOPBHEZLFENN-HTMVYDOJSA-M,C15H15Cl2N2NaO8,445.2,444.0103151,,162,541,0,2,8,9,28,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, N,N-DIMETHYL-, HYDROCHLORIDE",005882-44-0,79987,"N,N-dimethylaniline;hydrochloride",CN(C)C1=CC=CC=C1.Cl,"InChI=1S/C8H11N.ClH/c1-9(2)8-6-4-3-5-7-8;/h3-7H,1-2H3;1H",WOAZEKPXTXCPFZ-UHFFFAOYSA-N,C8H12ClN,157.64,157.0658271,,3.2,72,0,1,1,1,10,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1
"Urea, 3-(3-chloro-p-tolyl)-1,1-dimethyl-",015545-48-9,27375,"3-(3-chloro-4-methylphenyl)-1,1-dimethylurea",CC1=C(C=C(C=C1)NC(=O)N(C)C)Cl,"InChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)",JXCGFZXSOMJFOA-UHFFFAOYSA-N,C10H13ClN2O,212.67,212.0716407,2.4,32.3,208,0,1,1,1,14,,,1,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"BENZENEDIAZONIUM, 4-CHLORO-2-METHYL-",027165-08-8,93110,4-chloro-2-methylbenzenediazonium,CC1=C(C=CC(=C1)Cl)[N+]#N,"InChI=1S/C7H6ClN2/c1-5-4-6(8)2-3-7(5)10-9/h2-4H,1H3/q+1",AJGKQVJZDWHQHJ-UHFFFAOYSA-N,C7H6ClN2+,153.59,153.0219509,3.6,28.2,160,1,0,1,0,10,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CHLOROPROPHAM,000101-21-3,2728,propan-2-yl N-(3-chlorophenyl)carbamate,CC(C)OC(=O)NC1=CC(=CC=C1)Cl,"InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)",CWJSHJJYOPWUGX-UHFFFAOYSA-N,C10H12ClNO2,213.66,213.0556563,3.5,38.3,197,0,1,2,3,14,,"477 °F at 760 mmHg (decomposition) (NTP, 1992)",0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Urea, 1,1-dimethyl-3-(p-isopropylphenyl)-",034123-59-6,36679,"1,1-dimethyl-3-(4-propan-2-ylphenyl)urea",CC(C)C1=CC=C(C=C1)NC(=O)N(C)C,"InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)",PUIYMUZLKQOUOZ-UHFFFAOYSA-N,C12H18N2O,206.28,206.1419132,2.9,32.3,206,0,1,1,2,15,100 °C (212 °F) - closed cup,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"3,5-DICHLORO-N-(1,1-DIMETHYL-2-PROPYNL)BENZAMIDE",023950-58-5,32154,"3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide",CC(C)(C#C)NC(=O)C1=CC(=CC(=C1)Cl)Cl,"InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)",PHNUZKMIPFFYSO-UHFFFAOYSA-N,C12H11Cl2NO,256.12,255.0217694,3.2,29.1,308,0,1,1,3,16,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DI(2-ETHYLHEXYL) ISOPHTHALATE,000137-89-3,8733,"bis(2-ethylhexyl) benzene-1,3-dicarboxylate",CCCCC(CC)COC(=O)C1=CC(=CC=C1)C(=O)OCC(CC)CCCC,"InChI=1S/C24H38O4/c1-5-9-12-19(7-3)17-27-23(25)21-14-11-15-22(16-21)24(26)28-18-20(8-4)13-10-6-2/h11,14-16,19-20H,5-10,12-13,17-18H2,1-4H3",WXZOXVVKILCOPG-UHFFFAOYSA-N,C24H38O4,390.6,390.2770097,7.4,52.6,396,0,0,4,16,28,"greater than 200 °F (NTP, 1992)",,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
ETHYL 4-DIMETHYLAMINOBENZOATE,010287-53-3,25127,ethyl 4-(dimethylamino)benzoate,CCOC(=O)C1=CC=C(C=C1)N(C)C,"InChI=1S/C11H15NO2/c1-4-14-11(13)9-5-7-10(8-6-9)12(2)3/h5-8H,4H2,1-3H3",FZUGPQWGEGAKET-UHFFFAOYSA-N,C11H15NO2,193.24,193.1102787,2.9,29.5,184,0,0,3,4,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"DI-(HEPTYL, NONYL, UNDECYL) PHTHALATE (D711P)",068515-42-4,6423795,"1-O-heptyl 2-O-undecyl benzene-1,2-dicarboxylate",CCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC,"InChI=1S/C26H42O4/c1-3-5-7-9-10-11-12-14-18-22-30-26(28)24-20-16-15-19-23(24)25(27)29-21-17-13-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3",ILVKYQKHSCWQAW-UHFFFAOYSA-N,C26H42O4,418.6,418.3083098,10.1,52.6,435,0,0,4,20,30,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1,2-BENZENEDICARBOXYLIC ACID, MONOBUTYL ESTER",000131-70-4,8575,2-butoxycarbonylbenzoic acid,CCCCOC(=O)C1=CC=CC=C1C(=O)O,"InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)",YZBOVSFWWNVKRJ-UHFFFAOYSA-N,C12H14O4,222.24,222.0892089,3.1,63.6,249,0,1,4,6,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
O-PHTHALIC ACID,000088-99-3,1017,phthalic acid,C1=CC=C(C(=C1)C(=O)O)C(=O)O,"InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)",XNGIFLGASWRNHJ-UHFFFAOYSA-N,C8H6O4,166.13,166.0266087,0.7,74.6,177,0,2,4,2,12,"334 °F (NTP, 1992)","Decomposes (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
DIMETHOXYETHYL PHTHALATE,000117-82-8,8344,"bis(2-methoxyethyl) benzene-1,2-dicarboxylate",COCCOC(=O)C1=CC=CC=C1C(=O)OCCOC,"InChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3",HSUIVCLOAAJSRE-UHFFFAOYSA-N,C14H18O6,282.29,282.1103383,1.4,71.1,274,0,0,6,10,20,410 °F (210 °C) (Open cup),340 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"BENZENEPROPANAL, 4-(1,1-DIMETHYLETHYL)-.ALPHA.-METHYL-",000080-54-6,228987,3-(4-tert-butylphenyl)-2-methylpropanal,CC(CC1=CC=C(C=C1)C(C)(C)C)C=O,"InChI=1S/C14H20O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,10-11H,9H2,1-4H3",SDQFDHOLCGWZPU-UHFFFAOYSA-N,C14H20O,204.31,204.1514153,3.9,17.1,194,0,0,1,4,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
DICAPRYL PHTHALATE,027554-26-3,33934,"bis(6-methylheptyl) benzene-1,2-dicarboxylate",CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C,"InChI=1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3",IJFPVINAQGWBRJ-UHFFFAOYSA-N,C24H38O4,390.6,390.2770097,8.5,52.6,390,0,0,4,16,28,"450 °F (USCG, 1999)","1288 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1,2-Benzenedicarboxylic acid dipentyl ester, branched and linear",084777-06-0,3020116,"3,4-bis(3-methylbutyl)phthalate",CC(C)CCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCC(C)C,"InChI=1S/C18H26O4/c1-11(2)5-7-13-8-10-15(17(19)20)16(18(21)22)14(13)9-6-12(3)4/h8,10-12H,5-7,9H2,1-4H3,(H,19,20)(H,21,22)/p-2",YRWFRHKQYQHUTP-UHFFFAOYSA-L,C18H24O4-2,304.4,304.1674592,6.5,80.3,364,-2,0,4,6,22,,,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1,2-BENZENEDICARBOXYLIC ACID, DIHEXYL ESTER",000084-75-3,6786,"dihexyl benzene-1,2-dicarboxylate",CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC,"InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3",KCXZNSGUUQJJTR-UHFFFAOYSA-N,C20H30O4,334.4,334.2144094,6.9,52.6,320,0,0,4,14,24,"350 °F (NTP, 1992)","662 °F at 735 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Benzyl alcohol, alpha-((t-butylamino)methyl)-3,5-dihydroxy-",023031-25-6,5403,"5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol",CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O,"InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3",XWTYSIMOBUGWOL-UHFFFAOYSA-N,C12H19NO3,225.28,225.1364935,0.9,72.7,205,0,4,4,4,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Benzamide, N-(2-(diethylamino)ethyl)-2-methoxy-5-(methylsulfonyl)-, monohydroc",051012-33-0,5702214,N-[2-(diethylamino)ethyl]-2-methoxy-5-methylsulfonylbenzamide;hydrochloride,CCN(CC)CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)OC.Cl,"InChI=1S/C15H24N2O4S.ClH/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3;/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18);1H",OTFDPNXIVHBTKW-UHFFFAOYSA-N,C15H25ClN2O4S,364.9,364.1223562,,84.1,443,0,2,5,8,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
DI-N-OCTYL PHTHALATE,000117-84-0,8346,"dioctyl benzene-1,2-dicarboxylate",CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC,"InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3",MQIUGAXCHLFZKX-UHFFFAOYSA-N,C24H38O4,390.6,390.2770097,9.1,52.6,369,0,0,4,18,28,"219 °F (NTP, 1992)","428 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
N-BUTYLBENZENESULFONAMIDE,003622-84-2,19241,N-butylbenzenesulfonamide,CCCCNS(=O)(=O)C1=CC=CC=C1,"InChI=1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3",IPRJXAGUEGOFGG-UHFFFAOYSA-N,C10H15NO2S,213.3,213.0823499,2.1,54.6,237,0,1,3,5,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"PHOSPHINIC ACID, [4-(DIMETHYLAMINO)-2-METHYLPHENYL]-, SODIUM SALT",000575-75-7,23688457,sodium [4-(dimethylamino)-2-methylphenyl]-oxido-oxophosphanium,CC1=C(C=CC(=C1)N(C)C)[P+](=O)[O-].[Na+],"InChI=1S/C9H12NO2P.Na/c1-7-6-8(10(2)3)4-5-9(7)13(11)12;/h4-6H,1-3H3;/q;+1",SFEYIBBXGHFLAS-UHFFFAOYSA-N,C9H12NNaO2P+,220.16,220.0503349,,43.4,201,1,0,3,2,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
1-PHENYLHEPTANE,001078-71-3,14115,heptylbenzene,CCCCCCCC1=CC=CC=C1,"InChI=1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3",LBNXAWYDQUGHGX-UHFFFAOYSA-N,C13H20,176.3,176.1565006,6.1,0,101,0,0,0,6,13,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-TERT-BUTYLPHENYLACETYLENE,000772-38-3,2757302,1-tert-butyl-4-ethynylbenzene,CC(C)(C)C1=CC=C(C=C1)C#C,"InChI=1S/C12H14/c1-5-10-6-8-11(9-7-10)12(2,3)4/h1,6-9H,2-4H3",ZSYQVVKVKBVHIL-UHFFFAOYSA-N,C12H14,158.24,158.1095504,3.8,0,178,0,0,0,2,12,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"FORMAMIDE, N-(2,5-DICHLOROPHENYL)-",006639-55-0,81141,"N-(2,5-dichlorophenyl)formamide",C1=CC(=C(C=C1Cl)NC=O)Cl,"InChI=1S/C7H5Cl2NO/c8-5-1-2-6(9)7(3-5)10-4-11/h1-4H,(H,10,11)",JTBVPDCDRKNIFU-UHFFFAOYSA-N,C7H5Cl2NO,190.02,188.9748192,2.2,29.1,142,0,1,1,1,11,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-METHYL-4-CHLOROPHENOXYACETIC ACID, ISOOCTYL ESTER",026544-20-7,33540,6-methylheptyl 2-(4-chloro-2-methylphenoxy)acetate,CC1=C(C=CC(=C1)Cl)OCC(=O)OCCCCCC(C)C,"InChI=1S/C17H25ClO3/c1-13(2)7-5-4-6-10-20-17(19)12-21-16-9-8-15(18)11-14(16)3/h8-9,11,13H,4-7,10,12H2,1-3H3",PDIYKJRLQHHRAG-UHFFFAOYSA-N,C17H25ClO3,312.8,312.1492223,5.9,35.5,294,0,0,3,10,21,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHONIC ACID, PHENYL-, ZINC SALT (1:1)",034335-10-9,15878909,zinc dioxido-oxo-phenyl-lambda5-phosphane,C1=CC=C(C=C1)P(=O)([O-])[O-].[Zn+2],"InChI=1S/C6H7O3P.Zn/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H2,7,8,9);/q;+2/p-2",VYXPIEPOZNGSJX-UHFFFAOYSA-L,C6H5O3PZn,221.5,219.926773,,63.2,134,0,0,3,0,11,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-(2,4-DICHLOROPHENOXY)ACETIC ACID BUTOXYETHYL ESTER",053404-31-2,62037,"2-butoxyethyl 2-(2,4-dichlorophenoxy)propanoate",CCCCOCCOC(=O)C(C)OC1=C(C=C(C=C1)Cl)Cl,"InChI=1S/C15H20Cl2O4/c1-3-4-7-19-8-9-20-15(18)11(2)21-14-6-5-12(16)10-13(14)17/h5-6,10-11H,3-4,7-9H2,1-2H3",NCMJQZVNCFTQPG-UHFFFAOYSA-N,C15H20Cl2O4,335.2,334.0738645,4.9,44.8,301,0,0,4,10,21,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"COPPER, (2,4-DIHYDROXYBENZOATO-O1,O2)HYDROXY-",069868-09-3,54686126,copper;2-carboxy-5-hydroxyphenolate;hydroxide,C1=CC(=C(C=C1O)[O-])C(=O)O.[OH-].[Cu+2],"InChI=1S/C7H6O4.Cu.H2O/c8-4-1-2-5(7(10)11)6(9)3-4;;/h1-3,8-9H,(H,10,11);;1H2/q;+2;/p-2",MZCSXSKMYAZJHK-UHFFFAOYSA-L,C7H6CuO5,233.67,232.95112,,81.6,157,0,3,5,1,13,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propenoic acid, 3-(4-methoxyphenyl)-, 3-methylbutyl ester",071617-10-2,92386,3-methylbutyl 3-(4-methoxyphenyl)prop-2-enoate,CC(C)CCOC(=O)C=CC1=CC=C(C=C1)OC,"InChI=1S/C15H20O3/c1-12(2)10-11-18-15(16)9-6-13-4-7-14(17-3)8-5-13/h4-9,12H,10-11H2,1-3H3",UBNYRXMKIIGMKK-UHFFFAOYSA-N,C15H20O3,248.32,248.1412445,3.9,35.5,263,0,0,3,7,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
4-(2-METHYL-4-CHLOROPHENOXY) BUTRYIC ACID.,000094-81-5,7207,4-(4-chloro-2-methylphenoxy)butanoic acid,CC1=C(C=CC(=C1)Cl)OCCCC(=O)O,"InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)",LLWADFLAOKUBDR-UHFFFAOYSA-N,C11H13ClO3,228.67,228.055322,3.6,46.5,208,0,1,3,5,15,,>280 °C,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BUTYLATED HYDROXYTOLUENE,000128-37-0,31404,"2,6-ditert-butyl-4-methylphenol",CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,"InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3",NLZUEZXRPGMBCV-UHFFFAOYSA-N,C15H24O,220.35,220.1827154,5.3,20.2,207,0,1,1,2,16,"260 °F (NTP, 1992)","509 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
OCTACHLOROSTYRENE,029082-74-4,34466,"1,2,3,4,5-pentachloro-6-(1,2,2-trichloroethenyl)benzene",C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=C(Cl)Cl)Cl,InChI=1S/C8Cl8/c9-2-1(4(11)8(15)16)3(10)6(13)7(14)5(2)12,RUYUCCQRWINUHE-UHFFFAOYSA-N,C8Cl8,379.7,379.744921,7.4,0,270,0,0,0,1,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONAMIDE, 4-AMINO-2,5-DICHLORO-N,N-DIMETHYL-",026175-68-8,117747,"4-amino-2,5-dichloro-N,N-dimethylbenzenesulfonamide",CN(C)S(=O)(=O)C1=C(C=C(C(=C1)Cl)N)Cl,"InChI=1S/C8H10Cl2N2O2S/c1-12(2)15(13,14)8-4-5(9)7(11)3-6(8)10/h3-4H,11H2,1-2H3",RVDTXDMZBHZDCD-UHFFFAOYSA-N,C8H10Cl2N2O2S,269.15,267.9840041,1.6,71.8,315,0,1,4,2,15,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
3-NITRO-O-XYLENE,000083-41-0,6739,"1,2-dimethyl-3-nitrobenzene",CC1=C(C(=CC=C1)[N+](=O)[O-])C,"InChI=1S/C8H9NO2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3",FVHAWXWFPBPFOS-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,2.8,45.8,153,0,0,2,0,11,"225 °F (NTP, 1992)","473 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-NITRO-M-XYLENE,000081-20-9,6672,"1,3-dimethyl-2-nitrobenzene",CC1=C(C(=CC=C1)C)[N+](=O)[O-],"InChI=1S/C8H9NO2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3",HDFQKJQEWGVKCQ-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,3,45.8,143,0,0,2,0,11,"190 °F (NTP, 1992)","437 °F at 744 mmHg (NTP, 1992)",0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
1-METHYL-3-PROPYLBENZENE,001074-43-7,14092,1-methyl-3-propylbenzene,CCCC1=CC=CC(=C1)C,"InChI=1S/C10H14/c1-3-5-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3",QUEBYVKXYIKVSO-UHFFFAOYSA-N,C10H14,134.22,134.1095504,3.6,0,86,0,0,0,2,10,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"TRIMETHYL 1,2,4-BENZENETRICARBOXYLATE",002459-10-1,17159,"trimethyl benzene-1,2,4-tricarboxylate",COC(=O)C1=CC(=C(C=C1)C(=O)OC)C(=O)OC,"InChI=1S/C12H12O6/c1-16-10(13)7-4-5-8(11(14)17-2)9(6-7)12(15)18-3/h4-6H,1-3H3",MJHNUUNSCNRGJE-UHFFFAOYSA-N,C12H12O6,252.22,252.0633881,1.4,78.9,337,0,0,6,6,18,,194 °C at 12 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-BUTANOL, 3-METHYL-, BENZOATE",000094-46-2,7193,3-methylbutyl benzoate,CC(C)CCOC(=O)C1=CC=CC=C1,"InChI=1S/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",MLLAPOCBLWUFAP-UHFFFAOYSA-N,C12H16O2,192.25,192.1150297,3.8,26.3,169,0,0,2,5,14,,261.00 to 262.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 2-HYDROXY-, 1-METHYLETHYL ESTER",000607-85-2,11838,propan-2-yl 2-hydroxybenzoate,CC(C)OC(=O)C1=CC=CC=C1O,"InChI=1S/C10H12O3/c1-7(2)13-10(12)8-5-3-4-6-9(8)11/h3-7,11H,1-2H3",YEULQIJMIOWCHB-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,3.1,46.5,177,0,1,3,3,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-BUTEN-1-OL, 3-METHYL-, BENZOATE",005205-11-8,21265,3-methylbut-2-enyl benzoate,CC(=CCOC(=O)C1=CC=CC=C1)C,"InChI=1S/C12H14O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3",INVWRXWYYVMFQC-UHFFFAOYSA-N,C12H14O2,190.24,190.0993797,3.2,26.3,208,0,0,2,4,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANOIC ACID, 2-ETHYL-, 2-PHENYLETHYL ESTER",006315-04-4,80585,2-phenylethyl 2-ethylbutanoate,CCC(CC)C(=O)OCCC1=CC=CC=C1,"InChI=1S/C14H20O2/c1-3-13(4-2)14(15)16-11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3",DKEOOFKYPNZAAZ-UHFFFAOYSA-N,C14H20O2,220.31,220.1463299,4.1,26.3,191,0,0,2,7,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANOIC ACID, 1,1-DIMETHYL-2-PHENYLETHYL ESTER",010094-34-5,24915,(2-methyl-1-phenylpropan-2-yl) butanoate,CCCC(=O)OC(C)(C)CC1=CC=CC=C1,"InChI=1S/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3",SHSGYHAHMQLYRB-UHFFFAOYSA-N,C14H20O2,220.31,220.1463299,3.5,26.3,215,0,0,2,6,16,,253.00 to 255.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, [2-(3-METHYLBUTOXY)ETHYL]-",056011-02-0,91978,2-(3-methylbutoxy)ethylbenzene,CC(C)CCOCCC1=CC=CC=C1,"InChI=1S/C13H20O/c1-12(2)8-10-14-11-9-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3",BHQBQWOZHYUVTL-UHFFFAOYSA-N,C13H20O,192.3,192.1514153,3.7,9.2,125,0,0,1,6,14,,109.00 to 110.00 °C. @ 8.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXY-, HEXADECYL ESTER",067845-93-6,94623,"hexadecyl 3,5-ditert-butyl-4-hydroxybenzoate",CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C,"InChI=1S/C31H54O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-29(33)25-23-26(30(2,3)4)28(32)27(24-25)31(5,6)7/h23-24,32H,8-22H2,1-7H3",NZYMWGXNIUZYRC-UHFFFAOYSA-N,C31H54O3,474.8,474.4072956,12.5,46.5,504,0,1,3,19,34,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEPROPANAL, .BETA.-METHYL-3-(1-METHYLETHENYL)-",125109-84-4,86208,3-(3-prop-1-en-2-ylphenyl)butanal,CC(CC=O)C1=CC(=CC=C1)C(=C)C,"InChI=1S/C13H16O/c1-10(2)12-5-4-6-13(9-12)11(3)7-8-14/h4-6,8-9,11H,1,7H2,2-3H3",YYANKIXCOSAFMF-UHFFFAOYSA-N,C13H16O,188.26,188.1201151,3.3,17.1,207,0,0,1,4,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DIPROPYLENE GLYCOL MONOBENZOATE,032686-95-6,66587249,benzoic acid;2-(2-hydroxypropoxy)propan-1-ol,CC(CO)OCC(C)O.C1=CC=C(C=C1)C(=O)O,"InChI=1S/C7H6O2.C6H14O3/c8-7(9)6-4-2-1-3-5-6;1-5(8)4-9-6(2)3-7/h1-5H,(H,8,9);5-8H,3-4H2,1-2H3",VVKREWPWSWPBGC-UHFFFAOYSA-N,C13H20O5,256.29,256.1310737,,87,169,0,3,5,5,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEPROPANAL, .BETA.-METHYL-3-(1-METHYLETHYL)-",125109-85-5,86209,3-(3-propan-2-ylphenyl)butanal,CC(C)C1=CC(=CC=C1)C(C)CC=O,"InChI=1S/C13H18O/c1-10(2)12-5-4-6-13(9-12)11(3)7-8-14/h4-6,8-11H,7H2,1-3H3",OHRBQTOZYGEWCJ-UHFFFAOYSA-N,C13H18O,190.28,190.1357652,3.1,17.1,174,0,0,1,4,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CHLORONEB,002675-77-6,17581,"1,4-dichloro-2,5-dimethoxybenzene",COC1=CC(=C(C=C1Cl)OC)Cl,"InChI=1S/C8H8Cl2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3",PFIADAMVCJPXSF-UHFFFAOYSA-N,C8H8Cl2O2,207.05,205.9901349,3.1,18.5,127,0,0,2,2,12,"322 °F (NTP, 1992)","514 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZENEBUTANOL,003360-41-6,76889,4-phenylbutan-1-ol,C1=CC=C(C=C1)CCCCO,"InChI=1S/C10H14O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2",LDZLXQFDGRCELX-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,2.3,20.2,84,0,1,1,4,11,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZYL ACETOACETATE,005396-89-4,142266,benzyl 3-oxobutanoate,CC(=O)CC(=O)OCC1=CC=CC=C1,"InChI=1S/C11H12O3/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3",WOFAGNLBCJWEOE-UHFFFAOYSA-N,C11H12O3,192.21,192.0786442,1.8,43.4,205,0,0,3,5,14,,156.00 to 159.00 °C. @ 10.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-HYDROXY-1-(4-(2-HYDROXYETHOXY)PHENYL)-2-METHYL-1-PROPANONE,106797-53-9,86266,2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one,CC(C)(C(=O)C1=CC=C(C=C1)OCCO)O,"InChI=1S/C12H16O4/c1-12(2,15)11(14)9-3-5-10(6-4-9)16-8-7-13/h3-6,13,15H,7-8H2,1-2H3",GJKGAPPUXSSCFI-UHFFFAOYSA-N,C12H16O4,224.25,224.104859,0.8,66.8,229,0,2,4,5,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEETHANOL, .ALPHA.,.ALPHA.-DIMETHYL-, ACETATE",000151-05-3,9024,(2-methyl-1-phenylpropan-2-yl) acetate,CC(=O)OC(C)(C)CC1=CC=CC=C1,"InChI=1S/C12H16O2/c1-10(13)14-12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3",FLUWAIIVLCVEKF-UHFFFAOYSA-N,C12H16O2,192.25,192.1150297,2.7,26.3,190,0,0,2,4,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEMETHANOL, .ALPHA.-METHYLENE-, ACETATE",002206-94-2,75153,1-phenylethenyl acetate,CC(=O)OC(=C)C1=CC=CC=C1,"InChI=1S/C10H10O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h3-7H,1H2,2H3",HWCUCNKPBMGSSC-UHFFFAOYSA-N,C10H10O2,162.18,162.0680796,2.2,26.3,178,0,0,2,3,12,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 3,6-DICHLORO-2-HYDROXY-",003401-80-7,18844,"3,6-dichloro-2-hydroxybenzoic acid",C1=CC(=C(C(=C1Cl)C(=O)O)O)Cl,"InChI=1S/C7H4Cl2O3/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,10H,(H,11,12)",FKIKPQHMWFZFEB-UHFFFAOYSA-N,C7H4Cl2O3,207.01,205.9537494,2.4,57.5,185,0,2,3,1,12,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, [2-(1-PROPOXYETHOXY)ETHYL]-",007493-57-4,61403,2-(1-propoxyethoxy)ethylbenzene,CCCOC(C)OCCC1=CC=CC=C1,"InChI=1S/C13H20O2/c1-3-10-14-12(2)15-11-9-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3",FMYCPRQGKSONCP-UHFFFAOYSA-N,C13H20O2,208.3,208.1463299,3.3,18.5,141,0,0,2,7,15,,79.00 to 81.00 °C. @ 0.75 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-BENZENEDICARBOXYLIC ACID, 3,4,5,6-TETRABROMO-, 2-(2-HYDROXYETHOXY)ETHYL 2-",020566-35-2,89352,"1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-(2-hydroxypropyl) 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate",CC(COC(=O)C1=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)OCCOCCO)O,"InChI=1S/C15H16Br4O7/c1-7(21)6-26-15(23)9-8(10(16)12(18)13(19)11(9)17)14(22)25-5-4-24-3-2-20/h7,20-21H,2-6H2,1H3",OQHHASWHOGRCRC-UHFFFAOYSA-N,C15H16Br4O7,627.9,627.75885,3.3,102,467,0,2,7,11,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, 2-ETHYL-N-(2-METHOXY-1-METHYLETHYL)-6-METHYL-",051219-00-2,65298,2-ethyl-N-(1-methoxypropan-2-yl)-6-methylaniline,CCC1=CC=CC(=C1NC(C)COC)C,"InChI=1S/C13H21NO/c1-5-12-8-6-7-10(2)13(12)14-11(3)9-15-4/h6-8,11,14H,5,9H2,1-4H3",YXWIRQHVEQIJOV-UHFFFAOYSA-N,C13H21NO,207.31,207.1623143,3.4,21.3,172,0,1,2,5,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZYL ACETATE,000140-11-4,8785,benzyl acetate,CC(=O)OCC1=CC=CC=C1,"InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3",QUKGYYKBILRGFE-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,2,26.3,126,0,0,2,3,11,"195 °F (NFPA, 2010)","419.9 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 3,6-DICHLORO-2-METHOXY-, SODIUM SALT",001982-69-0,23680611,"sodium 3,6-dichloro-2-methoxybenzoate",COC1=C(C=CC(=C1C(=O)[O-])Cl)Cl.[Na+],"InChI=1S/C8H6Cl2O3.Na/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;/h2-3H,1H3,(H,11,12);/q;+1/p-1",HLZCHRAMVPCKDU-UHFFFAOYSA-M,C8H5Cl2NaO3,243.02,241.9513437,,49.4,203,0,0,3,2,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BUTYL PHTHALYL BUTYL GLYCOLATE,000085-70-1,6819,"2-O-(2-butoxy-2-oxoethyl) 1-O-butyl benzene-1,2-dicarboxylate",CCCCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCCCC,"InChI=1S/C18H24O6/c1-3-5-11-22-16(19)13-24-18(21)15-10-8-7-9-14(15)17(20)23-12-6-4-2/h7-10H,3-6,11-13H2,1-2H3",GOJCZVPJCKEBQV-UHFFFAOYSA-N,C18H24O6,336.4,336.1572885,4.6,78.9,406,0,0,6,13,24,390 °F (199 °C) (Open cup),345 °C,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4,6-TRI-T-BUTYLNITROSO-BENZENE",024973-59-9,90676,"1,3,5-tritert-butyl-2-nitrosobenzene",CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)N=O)C(C)(C)C,"InChI=1S/C18H29NO/c1-16(2,3)12-10-13(17(4,5)6)15(19-20)14(11-12)18(7,8)9/h10-11H,1-9H3",OSICDPWAPKXXHT-UHFFFAOYSA-N,C18H29NO,275.4,275.2249145,6.3,29.4,316,0,0,2,3,20,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"DODECANAMIDE, N-(4-HYDROXYPHENYL)-",000103-98-0,66902,N-(4-hydroxyphenyl)dodecanamide,CCCCCCCCCCCC(=O)NC1=CC=C(C=C1)O,"InChI=1S/C18H29NO2/c1-2-3-4-5-6-7-8-9-10-11-18(21)19-16-12-14-17(20)15-13-16/h12-15,20H,2-11H2,1H3,(H,19,21)",JVKWTDRHWOSRFT-UHFFFAOYSA-N,C18H29NO2,291.4,291.2198292,6.2,49.3,260,0,2,2,11,21,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, PENTABROMO(2-PROPENYLOXY)-",003555-11-1,19084,"1,2,3,4,5-pentabromo-6-prop-2-enoxybenzene",C=CCOC1=C(C(=C(C(=C1Br)Br)Br)Br)Br,"InChI=1S/C9H5Br5O/c1-2-3-15-9-7(13)5(11)4(10)6(12)8(9)14/h2H,1,3H2",VCNJVIWFSMCZPE-UHFFFAOYSA-N,C9H5Br5O,528.7,527.62163,6,9.2,209,0,0,1,3,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, OCTADECYL-",004445-07-2,78187,octadecylbenzene,CCCCCCCCCCCCCCCCCCC1=CC=CC=C1,"InChI=1S/C24H42/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24/h17,19-20,22-23H,2-16,18,21H2,1H3",WSVDSBZMYJJMSB-UHFFFAOYSA-N,C24H42,330.6,330.3286513,12,0,226,0,0,0,17,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-BENZENEDICARBOXYLIC ACID, MONO(1-METHYLHEPTYL) ESTER, (.+-.)-",068296-97-9,109265,2-octan-2-yloxycarbonylbenzoic acid,CCCCCCC(C)OC(=O)C1=CC=CC=C1C(=O)O,"InChI=1S/C16H22O4/c1-3-4-5-6-9-12(2)20-16(19)14-11-8-7-10-13(14)15(17)18/h7-8,10-12H,3-6,9H2,1-2H3,(H,17,18)",DUJBEEUYBSLMGM-UHFFFAOYSA-N,C16H22O4,278.34,278.1518092,4.2,63.6,314,0,1,4,9,20,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BUTYLOCTYL SALICYLATE,190085-41-7,18319150,2-butyloctyl 2-hydroxybenzoate,CCCCCCC(CCCC)COC(=O)C1=CC=CC=C1O,"InChI=1S/C19H30O3/c1-3-5-7-8-12-16(11-6-4-2)15-22-19(21)17-13-9-10-14-18(17)20/h9-10,13-14,16,20H,3-8,11-12,15H2,1-2H3",CZVOIAOPRGNENY-UHFFFAOYSA-N,C19H30O3,306.4,306.2194948,7.9,46.5,290,0,1,3,12,22,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-Butanediol, 2-phenyl-, 1-carbamate",50-19-1,5752,(2-hydroxy-2-phenylbutyl) carbamate,CCC(COC(=O)N)(C1=CC=CC=C1)O,"InChI=1S/C11H15NO3/c1-2-11(14,8-15-10(12)13)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3,(H2,12,13)",WAFIYOULDIWAKR-UHFFFAOYSA-N,C11H15NO3,209.24,209.1051933,1.1,72.6,214,0,2,3,5,15,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2,4,6-trichloro-",50-43-1,5764,"2,4,6-trichlorobenzoic acid",C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Cl,"InChI=1S/C7H3Cl3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)",RAFFVQBMVYYTQS-UHFFFAOYSA-N,C7H3Cl3O2,225.5,223.919862,2.9,37.3,173,0,1,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 2,3,4,5-tetrachloro-",50-74-8,5782,"2,3,4,5-tetrachlorobenzoic acid",C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)O,"InChI=1S/C7H2Cl4O2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,(H,12,13)",FUXMTEKFGUWSNC-UHFFFAOYSA-N,C7H2Cl4O2,259.9,259.87794,4,37.3,211,0,1,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"Benzoic acid, 2,4,5-trichloro-",50-82-8,5786,"2,4,5-trichlorobenzoic acid",C1=C(C(=CC(=C1Cl)Cl)Cl)C(=O)O,"InChI=1S/C7H3Cl3O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)",PTFNNDHASFGWFI-UHFFFAOYSA-N,C7H3Cl3O2,225.5,223.919862,3.4,37.3,185,0,1,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-Cresotic acid",50-85-1,5788,2-hydroxy-4-methylbenzoic acid,CC1=CC(=C(C=C1)C(=O)O)O,"InChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)",NJESAXZANHETJV-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,3,57.5,155,0,2,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Salicylic acid, 4-acetamido-",50-86-2,65509,4-acetamido-2-hydroxybenzoic acid,CC(=O)NC1=CC(=C(C=C1)C(=O)O)O,"InChI=1S/C9H9NO4/c1-5(11)10-6-2-3-7(9(13)14)8(12)4-6/h2-4,12H,1H3,(H,10,11)(H,13,14)",YBTVSGCNBZPRBD-UHFFFAOYSA-N,C9H9NO4,195.17,195.0531578,1.6,86.6,241,0,3,4,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 4-hydroxy-3,5-diiodo-, butyl ester",51-38-7,65511,"butyl 4-hydroxy-3,5-diiodobenzoate",CCCCOC(=O)C1=CC(=C(C(=C1)I)O)I,"InChI=1S/C11H12I2O3/c1-2-3-4-16-11(15)7-5-8(12)10(14)9(13)6-7/h5-6,14H,2-4H2,1H3",AKPGOBAFPMFHET-UHFFFAOYSA-N,C11H12I2O3,446.02,445.88759,4,46.5,223,0,1,3,5,16,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 4-(aminomethyl)-",56-91-7,65526,4-(aminomethyl)benzoic acid,C1=CC(=CC=C1CN)C(=O)O,"InChI=1S/C8H9NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H,10,11)",QCTBMLYLENLHLA-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,-1.6,63.3,139,0,2,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, p-amino-, 2-(diethylamino)ethyl ester",59-46-1,4914,2-(diethylamino)ethyl 4-aminobenzoate,CCN(CC)CCOC(=O)C1=CC=C(C=C1)N,"InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3",MFDFERRIHVXMIY-UHFFFAOYSA-N,C13H20N2O2,236.31,236.1524779,1.9,55.6,221,0,1,4,7,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetophenone, 3',4'-dihydroxy-2-(methylamino)-, hydrochloride",62-13-5,66136,"1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone;hydrochloride",CNCC(=O)C1=CC(=C(C=C1)O)O.Cl,"InChI=1S/C9H11NO3.ClH/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;/h2-4,10-12H,5H2,1H3;1H",CSRRBDMYOUQTCO-UHFFFAOYSA-N,C9H12ClNO3,217.65,217.0505709,,69.6,184,0,4,4,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, m-tolyl-",63-99-0,6142,(3-methylphenyl)urea,CC1=CC(=CC=C1)NC(=O)N,"InChI=1S/C8H10N2O/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)",UVQVMNIYFXZXCI-UHFFFAOYSA-N,C8H10N2O,150.18,150.0793129,1.3,55.1,147,0,2,1,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Tyrosine, 3,5-diiodo-",66-02-4,6181,"2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid",C1=C(C=C(C(=C1I)O)I)CC(C(=O)O)N,"InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)",NYPYHUZRZVSYKL-UHFFFAOYSA-N,C9H9I2NO3,432.98,432.86719,-0.5,83.6,227,0,3,4,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 3-acetamido-2,4,6-triiodo-",85-36-9,6806,"3-acetamido-2,4,6-triiodobenzoic acid",CC(=O)NC1=C(C=C(C(=C1I)C(=O)O)I)I,"InChI=1S/C9H6I3NO3/c1-3(14)13-8-5(11)2-4(10)6(7(8)12)9(15)16/h2H,1H3,(H,13,14)(H,15,16)",GNOGSFBXBWBTIG-UHFFFAOYSA-N,C9H6I3NO3,556.86,556.7482,2.6,66.4,300,0,2,3,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Salicylic acid, 3-nitro-",85-38-1,6807,2-hydroxy-3-nitrobenzoic acid,C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)O,"InChI=1S/C7H5NO5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H,(H,10,11)",WWWFHFGUOIQNJC-UHFFFAOYSA-N,C7H5NO5,183.12,183.0167723,1.4,103,223,0,2,5,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 4-amino-2-propoxy-, 2-(diethylamino)ethyl ester",86-43-1,6843,2-(diethylamino)ethyl 4-amino-2-propoxybenzoate,CCCOC1=C(C=CC(=C1)N)C(=O)OCCN(CC)CC,"InChI=1S/C16H26N2O3/c1-4-10-20-15-12-13(17)7-8-14(15)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3",CAJIGINSTLKQMM-UHFFFAOYSA-N,C16H26N2O3,294.39,294.1943427,3.1,64.8,295,0,1,5,10,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 2,6-di-tert-butyl-4-methoxymethyl-",87-97-8,6911,"2,6-ditert-butyl-4-(methoxymethyl)phenol",CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)COC,"InChI=1S/C16H26O2/c1-15(2,3)12-8-11(10-18-7)9-13(14(12)17)16(4,5)6/h8-9,17H,10H2,1-7H3",SCXYLTWTWUGEAA-UHFFFAOYSA-N,C16H26O2,250.38,250.1932801,4.6,29.5,235,0,1,2,4,18,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 2-amino-4-chloro-",89-77-0,66646,2-amino-4-chlorobenzoic acid,C1=CC(=C(C=C1Cl)N)C(=O)O,"InChI=1S/C7H6ClNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)",JYYLQSCZISREGY-UHFFFAOYSA-N,C7H6ClNO2,171.58,171.0087061,1.6,63.3,163,0,2,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 1-(bromomethyl)-2-methyl-",89-92-9,6992,1-(bromomethyl)-2-methylbenzene,CC1=CC=CC=C1CBr,"InChI=1S/C8H9Br/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3",WGVYCXYGPNNUQA-UHFFFAOYSA-N,C8H9Br,185.06,183.98876,3,0,80,0,0,0,1,9,82 °C (180  °F) - closed cup,217 °C,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Butyramide, 2-phenyl-",90-26-6,7011,2-phenylbutanamide,CCC(C1=CC=CC=C1)C(=O)N,"InChI=1S/C10H13NO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H2,11,12)",UNFGQCCHVMMMRF-UHFFFAOYSA-N,C10H13NO,163.22,163.099714,1.7,43.1,150,0,1,1,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrocinnamic acid, alpha-ethyl-3-hydroxy-2,4,6-triiodo-",96-84-4,7315,"2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid",CCC(CC1=C(C(=C(C=C1I)I)O)I)C(=O)O,"InChI=1S/C11H11I3O3/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5,15H,2-3H2,1H3,(H,16,17)",GOIQOQCNFWYSTQ-UHFFFAOYSA-N,C11H11I3O3,571.92,571.7842,4.2,57.5,275,0,2,3,4,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphorothioic acid, O-(2,4-dichlorophenyl)-O,O-diethyl ester",97-17-6,7328,"(2,4-dichlorophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane",CCOP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl,"InChI=1S/C10H13Cl2O3PS/c1-3-13-16(17,14-4-2)15-10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3",WGOWCPGHOCIHBW-UHFFFAOYSA-N,C10H13Cl2O3PS,315.15,313.9700078,5.1,59.8,270,0,0,4,6,17,,164-169 °C @ 0.1 MM HG,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenearsonic acid, p-nitro-",98-72-6,66826,(4-nitrophenyl)arsonic acid,C1=CC(=CC=C1[N+](=O)[O-])[As](=O)(O)O,"InChI=1S/C6H6AsNO5/c9-7(10,11)5-1-3-6(4-2-5)8(12)13/h1-4H,(H2,9,10,11)",FUUFQLXAIUOWML-UHFFFAOYSA-N,C6H6AsNO5,247.04,246.946192,,103,236,0,2,5,1,13,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Styrene, alpha-bromo-",98-81-7,66828,1-bromoethenylbenzene,C=C(C1=CC=CC=C1)Br,"InChI=1S/C8H7Br/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H2",SRXJYTZCORKVNA-UHFFFAOYSA-N,C8H7Br,183.04,181.97311,3.2,0,101,0,0,0,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Aniline, N,p-dinitroso-N-methyl-",99-80-9,60991,N-methyl-N-(4-nitrosophenyl)nitrous amide,CN(C1=CC=C(C=C1)N=O)N=O,"InChI=1S/C7H7N3O2/c1-10(9-12)7-4-2-6(8-11)3-5-7/h2-5H,1H3",FMGUJLASXUBMOP-UHFFFAOYSA-N,C7H7N3O2,165.15,165.0538265,1.1,62.1,166,0,0,5,1,12,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, N,alpha,alpha-trimethyl-",100-92-5,3677,"N,2-dimethyl-1-phenylpropan-2-amine",CC(C)(CC1=CC=CC=C1)NC,"InChI=1S/C11H17N/c1-11(2,12-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3",RXQCGGRTAILOIN-UHFFFAOYSA-N,C11H17N,163.26,163.1360995,2.4,12,123,0,1,1,3,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"Ethanol, 2,2'-(benzylimino)di-",101-32-6,7553,2-[benzyl(2-hydroxyethyl)amino]ethanol,C1=CC=C(C=C1)CN(CCO)CCO,"InChI=1S/C11H17NO2/c13-8-6-12(7-9-14)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2",MIZIOHLLYXVEHJ-UHFFFAOYSA-N,C11H17NO2,195.26,195.1259288,0.4,43.7,129,0,2,3,6,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"o-Phenylenediamine, 4-methoxy-",102-51-2,153404,"4-methoxybenzene-1,2-diamine",COC1=CC(=C(C=C1)N)N,"InChI=1S/C7H10N2O/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3",AGAHETWGCFCMDK-UHFFFAOYSA-N,C7H10N2O,138.17,138.0793129,0.6,61.3,108,0,2,3,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, p-(2-aminopropyl)-",103-86-6,3651,4-(2-aminopropyl)phenol,CC(CC1=CC=C(C=C1)O)N,"InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3",GIKNHHRFLCDOEU-UHFFFAOYSA-N,C9H13NO,151.21,151.099714,1.4,46.3,108,0,2,2,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzyl alcohol, alpha-(aminomethyl)-p-hydroxy-",104-14-3,4581,4-(2-amino-1-hydroxyethyl)phenol,C1=CC(=CC=C1C(CN)O)O,"InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2",QHGUCRYDKWKLMG-UHFFFAOYSA-N,C8H11NO2,153.18,153.0789786,-1.1,66.5,111,0,3,3,2,11,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-Propanediol, 3-(p-chlorophenoxy)-",104-29-0,7697,"3-(4-chlorophenoxy)propane-1,2-diol",C1=CC(=CC=C1OCC(CO)O)Cl,"InChI=1S/C9H11ClO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2",MXOAEAUPQDYUQM-UHFFFAOYSA-N,C9H11ClO3,202.63,202.0396719,1.2,49.7,135,0,2,3,4,13,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Salicylic acid, 5-iodo-",119-30-2,8388,2-hydroxy-5-iodobenzoic acid,C1=CC(=C(C=C1I)C(=O)O)O,"InChI=1S/C7H5IO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)",SWDNKOFGNPGRPI-UHFFFAOYSA-N,C7H5IO3,264.02,263.92834,3.1,57.5,160,0,2,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, 3,4-dimethoxy-alpha-methyl-",120-26-3,8423,"1-(3,4-dimethoxyphenyl)propan-2-amine",CC(CC1=CC(=C(C=C1)OC)OC)N,"InChI=1S/C11H17NO2/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7-8H,6,12H2,1-3H3",KAZPHAGSWZTKDW-UHFFFAOYSA-N,C11H17NO2,195.26,195.1259288,1.2,44.5,163,0,1,3,4,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanol, 2-(2,4-dichlorophenoxy)-",120-67-2,8444,"2-(2,4-dichlorophenoxy)ethanol",C1=CC(=C(C=C1Cl)Cl)OCCO,"InChI=1S/C8H8Cl2O2/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5,11H,3-4H2",PCCMNBRZMKANQD-UHFFFAOYSA-N,C8H8Cl2O2,207.05,205.9901349,3,29.5,132,0,1,2,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"o-Toluenesulfonyl chloride, 5-nitro-",121-02-8,8457,2-methyl-5-nitrobenzenesulfonyl chloride,CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)Cl,"InChI=1S/C7H6ClNO4S/c1-5-2-3-6(9(10)11)4-7(5)14(8,12)13/h2-4H,1H3",WPGVQDHXOUAJBW-UHFFFAOYSA-N,C7H6ClNO4S,235.65,234.9706065,2.1,88.3,318,0,0,4,1,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Acetanilide, 4'-sulfamoyl-",121-61-9,8482,N-(4-sulfamoylphenyl)acetamide,CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N,"InChI=1S/C8H10N2O3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)(H2,9,12,13)",PKOFBDHYTMYVGJ-UHFFFAOYSA-N,C8H10N2O3S,214.24,214.0412134,0,97.6,299,0,2,4,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Mercury, (2-hydroxypropanoato)phenyl-",122-64-5,16683023,2-hydroxypropanoyloxy(phenyl)mercury,CC(C(=O)O[Hg]C1=CC=CC=C1)O,"InChI=1S/C6H5.C3H6O3.Hg/c1-2-4-6-5-3-1;1-2(4)3(5)6;/h1-5H;2,4H,1H3,(H,5,6);/q;;+1/p-1",RRFGSWMKSSCUSU-UHFFFAOYSA-M,C9H10HgO3,366.77,368.033638,,46.5,166,0,1,3,4,13,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Arsanilic acid, monosodium salt",127-85-5,23670523,sodium (4-aminophenyl)-hydroxyarsinate,C1=CC(=CC=C1N)[As](=O)(O)[O-].[Na+],"InChI=1S/C6H8AsNO3.Na/c8-6-3-1-5(2-4-6)7(9,10)11;/h1-4H,8H2,(H2,9,10,11);/q;+1/p-1",OUFRIWNNMFWZTM-UHFFFAOYSA-M,C6H7AsNNaO3,239.04,238.953957,,86.4,182,0,2,4,1,12,,,1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Butenoic acid, 2-(1-methylheptyl)-4,6-dinitrophenyl ester, (2E)-",131-72-6,5284389,"(2,4-dinitro-6-octan-2-ylphenyl) (E)-but-2-enoate",CCCCCCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)/C=C/C,"InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+",NIOPZPCMRQGZCE-WEVVVXLNSA-N,C18H24N2O6,364.4,364.1634365,6,118,511,0,0,6,9,26,,,1,0,1,1,0,0,1,0,1,0,0,0,0,1,0,0,1,1,1,0
"o-Toluenesulfonic acid, 4-amino-",133-78-8,67248,4-amino-2-methylbenzenesulfonic acid,CC1=C(C=CC(=C1)N)S(=O)(=O)O,"InChI=1S/C7H9NO3S/c1-5-4-6(8)2-3-7(5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)",ZDIRCGKEOWZBIM-UHFFFAOYSA-N,C7H9NO3S,187.22,187.0303143,0.4,88.8,244,0,2,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, (2-carboxymethylthio)-",135-13-7,8660,2-(carboxymethylsulfanyl)benzoic acid,C1=CC=C(C(=C1)C(=O)O)SCC(=O)O,"InChI=1S/C9H8O4S/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)",GMBZSYUPMWCDGK-UHFFFAOYSA-N,C9H8O4S,212.22,212.0143299,1.6,99.9,229,0,2,5,4,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, (o-methoxyphenyl)-",135-92-2,98753,(2-methoxyphenyl)urea,COC1=CC=CC=C1NC(=O)N,"InChI=1S/C8H10N2O2/c1-12-7-5-3-2-4-6(7)10-8(9)11/h2-5H,1H3,(H3,9,10,11)",IABLBGQNBFMFFZ-UHFFFAOYSA-N,C8H10N2O2,166.18,166.0742276,0.5,64.4,161,0,2,2,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propionic acid, 2,2-dichloro-, 2-(2,4,5-trichlorophenoxy)ethyl ester",136-25-4,8686,"2-(2,4,5-trichlorophenoxy)ethyl 2,2-dichloropropanoate",CC(C(=O)OCCOC1=CC(=C(C=C1Cl)Cl)Cl)(Cl)Cl,"InChI=1S/C11H9Cl5O3/c1-11(15,16)10(17)19-3-2-18-9-5-7(13)6(12)4-8(9)14/h4-5H,2-3H2,1H3",KMHZPJNVPCAUMN-UHFFFAOYSA-N,C11H9Cl5O3,366.4,365.896482,5.2,35.5,313,0,0,3,6,19,,161-164 °C,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, p-(butylamino)-, 2-(dimethylamino)ethyl ester, monohydrochloride",136-47-0,8695,2-(dimethylamino)ethyl 4-(butylamino)benzoate;hydrochloride,CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C.Cl,"InChI=1S/C15H24N2O2.ClH/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3;/h6-9,16H,4-5,10-12H2,1-3H3;1H",PPWHTZKZQNXVAE-UHFFFAOYSA-N,C15H25ClN2O2,300.82,300.1604557,,41.6,249,0,2,4,9,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"p-Toluenesulfonamide, alpha-amino-, monohydrochloride",138-37-4,67313,4-(aminomethyl)benzenesulfonamide;hydrochloride,C1=CC(=CC=C1CN)S(=O)(=O)N.Cl,"InChI=1S/C7H10N2O2S.ClH/c8-5-6-1-3-7(4-2-6)12(9,10)11;/h1-4H,5,8H2,(H2,9,10,11);1H",SIACJRVYIPXFKS-UHFFFAOYSA-N,C7H11ClN2O2S,222.69,222.0229765,,94.6,224,0,3,4,2,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Tyrosine, 3-fluoro-",139-26-4,643330,(2S)-2-amino-3-(3-fluoro-4-hydroxyphenyl)propanoic acid,C1=CC(=C(C=C1C[C@@H](C(=O)O)N)F)O,"InChI=1S/C9H10FNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1",VIIAUOZUUGXERI-ZETCQYMHSA-N,C9H10FNO3,199.18,199.0644713,-2.3,83.6,212,0,3,5,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, (m-methoxyphenyl)-",139-77-5,101483,(3-methoxyphenyl)urea,COC1=CC=CC(=C1)NC(=O)N,"InChI=1S/C8H10N2O2/c1-12-7-4-2-3-6(5-7)10-8(9)11/h2-5H,1H3,(H3,9,10,11)",WDHPVLQWHRHMEY-UHFFFAOYSA-N,C8H10N2O2,166.18,166.0742276,0.7,64.4,161,0,2,2,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Arsanilic acid, N-glycoloyl-, monosodium salt",140-45-4,23670848,sodium hydroxy-[4-[(2-hydroxyacetyl)amino]phenyl]arsinate,C1=CC(=CC=C1NC(=O)CO)[As](=O)(O)[O-].[Na+],"InChI=1S/C8H10AsNO5.Na/c11-5-8(12)10-7-3-1-6(2-4-7)9(13,14)15;/h1-4,11H,5H2,(H,10,12)(H2,13,14,15);/q;+1/p-1",UBGOFPKOVIKDPL-UHFFFAOYSA-M,C8H9AsNNaO5,297.07,296.959436,,110,280,0,3,5,3,16,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, N,N'-1,4-phenylenebis-",140-50-1,67324,N-(4-acetamidophenyl)acetamide,CC(=O)NC1=CC=C(C=C1)NC(=O)C,"InChI=1S/C10H12N2O2/c1-7(13)11-9-3-5-10(6-4-9)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14)",KVEDKKLZCJBVNP-UHFFFAOYSA-N,C10H12N2O2,192.21,192.0898776,0.8,58.2,196,0,2,2,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzyl alcohol, 3,4-dihydroxy-alpha-((methylamino)methyl)-, (+)-",150-05-0,247704,"4-[(1S)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol",CNC[C@H](C1=CC(=C(C=C1)O)O)O,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m1/s1",UCTWMZQNUQWSLP-SECBINFHSA-N,C9H13NO3,183.2,183.0895433,-1.4,72.7,154,0,4,4,3,13,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, p-(methylamino)-",150-75-4,5931,4-(methylamino)phenol,CNC1=CC=C(C=C1)O,"InChI=1S/C7H9NO/c1-8-6-2-4-7(9)5-3-6/h2-5,8-9H,1H3",ZFIQGRISGKSVAG-UHFFFAOYSA-N,C7H9NO,123.15,123.0684139,1.9,32.3,77,0,2,2,1,9,,209-211 °C at 1.6 kPa,0,0,1,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0
"Benzyl alcohol, m-hydroxy-alpha-((methylamino)methyl)-, hydrochloride, (+-)-",154-86-9,6102,3-[1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride,CNCC(C1=CC(=CC=C1)O)O.Cl,"InChI=1S/C9H13NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,9-12H,6H2,1H3;1H",OCYSGIYOVXAGKQ-UHFFFAOYSA-N,C9H14ClNO2,203.66,203.0713064,,52.5,130,0,4,3,3,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Vanillamide, N,N-diethyl-",304-84-7,9363,"N,N-diethyl-4-hydroxy-3-methoxybenzamide",CCN(CC)C(=O)C1=CC(=C(C=C1)O)OC,"InChI=1S/C12H17NO3/c1-4-13(5-2)12(15)9-6-7-10(14)11(8-9)16-3/h6-8,14H,4-5H2,1-3H3",BQJODPIMMWWMFC-UHFFFAOYSA-N,C12H17NO3,223.27,223.1208434,2.1,49.8,228,0,1,3,4,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propanol, 1-(isopropylamino)-3-(m-tolyloxy)-, hydrochloride",306-11-6,120651,1-(3-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride,CC1=CC(=CC=C1)OCC(CNC(C)C)O.Cl,"InChI=1S/C13H21NO2.ClH/c1-10(2)14-8-12(15)9-16-13-6-4-5-11(3)7-13;/h4-7,10,12,14-15H,8-9H2,1-3H3;1H",UFLVPYQUIGXQNW-UHFFFAOYSA-N,C13H22ClNO2,259.77,259.1339066,,41.5,185,0,3,3,6,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pivalic acid, 2-benzylhydrazide",306-19-4,9375,"N'-benzyl-2,2-dimethylpropanehydrazide",CC(C)(C)C(=O)NNCC1=CC=CC=C1,"InChI=1S/C12H18N2O/c1-12(2,3)11(15)14-13-9-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3,(H,14,15)",FWWDFDMCZLOXQI-UHFFFAOYSA-N,C12H18N2O,206.28,206.1419132,2.2,41.1,202,0,2,2,4,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 1,3,5-trichloro-2,4,6-trifluoro-",319-88-0,67573,"1,3,5-trichloro-2,4,6-trifluorobenzene",C1(=C(C(=C(C(=C1Cl)F)Cl)F)Cl)F,InChI=1S/C6Cl3F3/c7-1-4(10)2(8)6(12)3(9)5(1)11,QPXZZPSKCVNHFW-UHFFFAOYSA-N,C6Cl3F3,235.4,233.901768,4.1,0,122,0,0,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 1,4-dichloro-2-(trifluoromethyl)-",320-50-3,35360,"1,4-dichloro-2-(trifluoromethyl)benzene",C1=CC(=C(C=C1Cl)C(F)(F)F)Cl,"InChI=1S/C7H3Cl2F3/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H",DYBYUWVMLBBEMA-UHFFFAOYSA-N,C7H3Cl2F3,215,213.95639,4.8,0,157,0,0,3,0,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Crotonic acid, 3-hydroxy-, alpha-methylbenzyl ester, dimethyl phosphate",326-12-5,5371578,1-phenylethyl (E)-3-dimethoxyphosphoryloxybut-2-enoate,CC(C1=CC=CC=C1)OC(=O)/C=C(\C)/OP(=O)(OC)OC,"InChI=1S/C14H19O6P/c1-11(20-21(16,17-3)18-4)10-14(15)19-12(2)13-8-6-5-7-9-13/h5-10,12H,1-4H3/b11-10+",XXXSILNSXNPGKG-ZHACJKMWSA-N,C14H19O6P,314.27,314.0919253,3.3,71.1,406,0,0,6,8,21,,135 °C @ 0.03 MM HG,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzyl alcohol, alpha-(aminomethyl)-3,4-dihydroxy-, hydrochloride, (-)-",329-56-6,11672905,"4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydrochloride",C1=CC(=C(C=C1[C@H](CN)O)O)O.Cl,"InChI=1S/C8H11NO3.ClH/c9-4-8(12)5-1-2-6(10)7(11)3-5;/h1-3,8,10-12H,4,9H2;1H/t8-;/m0./s1",FQTFHMSZCSUVEU-QRPNPIFTSA-N,C8H12ClNO3,205.64,205.0505709,,86.7,142,0,5,4,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetophenone, 4'-fluoro-, oxime",329-79-3,9497,N-[1-(4-fluorophenyl)ethylidene]hydroxylamine,CC(=NO)C1=CC=C(C=C1)F,"InChI=1S/C8H8FNO/c1-6(10-11)7-2-4-8(9)5-3-7/h2-5,11H,1H3",YPFOSEYKSLTSSF-UHFFFAOYSA-N,C8H8FNO,153.15,153.058992,2,32.6,150,0,1,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Phenoxysulfonyl fluoride,330-00-7,67610,fluorosulfonyloxybenzene,C1=CC=C(C=C1)OS(=O)(=O)F,"InChI=1S/C6H5FO3S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H",BDIBYQORZHGDIR-UHFFFAOYSA-N,C6H5FO3S,176.17,175.9943434,1.8,51.8,200,0,0,4,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Aniline, m-chloro-N-(2,2-difluoroethyl)-",331-54-4,9510,"3-chloro-N-(2,2-difluoroethyl)aniline",C1=CC(=CC(=C1)Cl)NCC(F)F,"InChI=1S/C8H8ClF2N/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4,8,12H,5H2",QSLIBRQKKASYQF-UHFFFAOYSA-N,C8H8ClF2N,191.6,191.0313333,3.4,12,132,0,1,3,3,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1,1-dimethyl-3-(p-fluorophenyl)-",332-33-2,9514,"3-(4-fluorophenyl)-1,1-dimethylurea",CN(C)C(=O)NC1=CC=C(C=C1)F,"InChI=1S/C9H11FN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)",GNIZUUCYAIPGKZ-UHFFFAOYSA-N,C9H11FN2O,182.19,182.0855411,1.1,32.3,176,0,1,2,1,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"o-Acetotoluidide, alpha,alpha,alpha-trifluoro-",344-62-7,67655,N-[2-(trifluoromethyl)phenyl]acetamide,CC(=O)NC1=CC=CC=C1C(F)(F)F,"InChI=1S/C9H8F3NO/c1-6(14)13-8-5-3-2-4-7(8)9(10,11)12/h2-5H,1H3,(H,13,14)",OXDTZGRSCDEKGO-UHFFFAOYSA-N,C9H8F3NO,203.16,203.0557984,1.1,29.1,215,0,1,4,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0
"Benzenesulfonyl fluoride, 4-chloro-3-nitro-",349-04-2,96713,4-chloro-3-nitrobenzenesulfonyl fluoride,C1=CC(=C(C=C1S(=O)(=O)F)[N+](=O)[O-])Cl,"InChI=1S/C6H3ClFNO4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H",AMGFGPCYAMRLHF-UHFFFAOYSA-N,C6H3ClFNO4S,239.61,238.9455346,2,88.3,322,0,0,5,1,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Benzenesulfonyl fluoride, p-chloro-",349-89-3,94992,4-chlorobenzenesulfonyl fluoride,C1=CC(=CC=C1S(=O)(=O)F)Cl,"InChI=1S/C6H4ClFO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H",PCTLRVPDZBVCMP-UHFFFAOYSA-N,C6H4ClFO2S,194.61,193.9604564,1.6,42.5,213,0,0,3,1,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Benzene, (1,1,2,2-tetrafluoroethoxy)-",350-57-2,67692,"1,1,2,2-tetrafluoroethoxybenzene",C1=CC=C(C=C1)OC(C(F)F)(F)F,"InChI=1S/C8H6F4O/c9-7(10)8(11,12)13-6-4-2-1-3-5-6/h1-5,7H",GRDIVJPQARIBNZ-UHFFFAOYSA-N,C8H6F4O,194.13,194.0354775,3.6,9.2,154,0,0,5,3,13,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Cinnamic acid, alpha-fluoro-",350-90-3,1550911,(Z)-2-fluoro-3-phenylprop-2-enoic acid,C1=CC=C(C=C1)/C=C(/C(=O)O)\F,"InChI=1S/C9H7FO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,(H,11,12)/b8-6-",QONCEXMULRJPPY-VURMDHGXSA-N,C9H7FO2,166.15,166.0430076,2.2,37.3,193,0,1,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Aniline, N-(2,2,2-trifluoroethyl)-",351-61-1,9596,"N-(2,2,2-trifluoroethyl)aniline",C1=CC=C(C=C1)NCC(F)(F)F,"InChI=1S/C8H8F3N/c9-8(10,11)6-12-7-4-2-1-3-5-7/h1-5,12H,6H2",IHCPNFMGAKAAKN-UHFFFAOYSA-N,C8H8F3N,175.15,175.0608838,2.9,12,127,0,1,4,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Aniline, 2,4-difluoro-6-nitro-",364-30-7,9697,"2,4-difluoro-6-nitroaniline",C1=C(C=C(C(=C1[N+](=O)[O-])N)F)F,"InChI=1S/C6H4F2N2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2",WPEUQAOOZXFRKZ-UHFFFAOYSA-N,C6H4F2N2O2,174.1,174.0240837,1.8,71.8,185,0,1,5,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 1,4-difluoro-2-nitro-",364-74-9,67767,"1,4-difluoro-2-nitrobenzene",C1=CC(=C(C=C1F)[N+](=O)[O-])F,InChI=1S/C6H3F2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,XNJAYQHWXYJBBD-UHFFFAOYSA-N,C6H3F2NO2,159.09,159.0131847,1.8,45.8,159,0,0,4,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"Benzenamine, 4-bromo-2-fluoro-",367-24-8,123050,4-bromo-2-fluoroaniline,C1=CC(=C(C=C1Br)F)N,"InChI=1S/C6H5BrFN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2",GZRMNMGWNKSANY-UHFFFAOYSA-N,C6H5BrFN,190.01,188.95894,2.1,26,99,0,1,2,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenesulfonyl fluoride, 3-amino-",368-50-3,67780,3-aminobenzenesulfonyl fluoride,C1=CC(=CC(=C1)S(=O)(=O)F)N,"InChI=1S/C6H6FNO2S/c7-11(9,10)6-3-1-2-5(8)4-6/h1-4H,8H2",PLSYVJDMJWGODG-UHFFFAOYSA-N,C6H6FNO2S,175.18,175.0103278,0.8,68.5,221,0,1,4,1,11,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-Benzenediamine, 5-(trifluoromethyl)-",368-53-6,67781,"5-(trifluoromethyl)benzene-1,3-diamine",C1=C(C=C(C=C1N)N)C(F)(F)F,"InChI=1S/C7H7F3N2/c8-7(9,10)4-1-5(11)3-6(12)2-4/h1-3H,11-12H2",KZSXRDLXTFEHJM-UHFFFAOYSA-N,C7H7F3N2,176.14,176.0561327,2,52,147,0,2,5,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 1,2-difluoro-4-nitro-",369-34-6,123053,"1,2-difluoro-4-nitrobenzene",C1=CC(=C(C=C1[N+](=O)[O-])F)F,InChI=1S/C6H3F2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,RUBQQRMAWLSCCJ-UHFFFAOYSA-N,C6H3F2NO2,159.09,159.0131847,2.1,45.8,159,0,0,4,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"Phenol, p-(2-(methylamino)propyl)-",370-14-9,4655,4-[2-(methylamino)propyl]phenol,CC(CC1=CC=C(C=C1)O)NC,"InChI=1S/C10H15NO/c1-8(11-2)7-9-3-5-10(12)6-4-9/h3-6,8,11-12H,7H2,1-2H3",SBUQZKJEOOQSBV-UHFFFAOYSA-N,C10H15NO,165.23,165.1153641,1.7,32.3,119,0,2,2,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, p-(2-methylaminoethyl)-",370-98-9,9727,4-[2-(methylamino)ethyl]phenol,CNCCC1=CC=C(C=C1)O,"InChI=1S/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3",AXVZFRBSCNEKPQ-UHFFFAOYSA-N,C9H13NO,151.21,151.099714,1.6,32.3,97,0,2,2,3,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, m-difluoro-",372-18-9,9741,"1,3-difluorobenzene",C1=CC(=CC(=C1)F)F,InChI=1S/C6H4F2/c7-5-2-1-3-6(8)4-5/h1-4H,UEMGWPRHOOEKTA-UHFFFAOYSA-N,C6H4F2,114.09,114.0281065,2.4,0,64,0,0,2,0,8,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"Benzenamine, 4-nitro-3-(trifluoromethyl)-",393-11-3,94955,4-nitro-3-(trifluoromethyl)aniline,C1=CC(=C(C=C1N)C(F)(F)F)[N+](=O)[O-],"InChI=1S/C7H5F3N2O2/c8-7(9,10)5-3-4(11)1-2-6(5)12(13)14/h1-3H,11H2",UTKUVRNVYFTEHF-UHFFFAOYSA-N,C7H5F3N2O2,206.12,206.0303119,2.5,71.8,226,0,1,6,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetophenone, 5'-fluoro-2'-hydroxy-",394-32-1,95992,1-(5-fluoro-2-hydroxyphenyl)ethanone,CC(=O)C1=C(C=CC(=C1)F)O,"InChI=1S/C8H7FO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3",KOFFXZYMDLWRHX-UHFFFAOYSA-N,C8H7FO2,154.14,154.0430076,1.8,37.3,158,0,1,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenesulfonamide, p-fluoro-",402-46-0,120231,4-fluorobenzenesulfonamide,C1=CC(=CC=C1F)S(=O)(=O)N,"InChI=1S/C6H6FNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)",LFLSATHZMYYIAQ-UHFFFAOYSA-N,C6H6FNO2S,175.18,175.0103278,0.8,68.5,213,0,1,4,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzeneacetaldehyde, 4-fluoro-alpha-oxo-",403-32-7,101249,2-(4-fluorophenyl)-2-oxoacetaldehyde,C1=CC(=CC=C1C(=O)C=O)F,InChI=1S/C8H5FO2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-5H,IPWSCROFORAGJW-UHFFFAOYSA-N,C8H5FO2,152.12,152.0273576,1.9,34.1,159,0,0,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Tyrosine, 3-fluoro-, DL-",403-90-7,92100,2-amino-3-(3-fluoro-4-hydroxyphenyl)propanoic acid,C1=CC(=C(C=C1CC(C(=O)O)N)F)O,"InChI=1S/C9H10FNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)",VIIAUOZUUGXERI-UHFFFAOYSA-N,C9H10FNO3,199.18,199.0644713,-2.3,83.6,212,0,3,5,3,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, 2-(4-fluorophenoxy)-",405-79-8,67882,2-(4-fluorophenoxy)acetic acid,C1=CC(=CC=C1OCC(=O)O)F,"InChI=1S/C8H7FO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)",ZBIULCVFFJJYTN-UHFFFAOYSA-N,C8H7FO3,170.14,170.0379222,1.6,46.5,152,0,1,4,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cinnamic acid, o-fluoro-",451-69-4,735833,(E)-3-(2-fluorophenyl)prop-2-enoic acid,C1=CC=C(C(=C1)/C=C/C(=O)O)F,"InChI=1S/C9H7FO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)/b6-5+",IOUDZAFBPDDAMK-AATRIKPKSA-N,C9H7FO2,166.15,166.0430076,1.9,37.3,189,0,1,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"p-Toluidine, 3-fluoro-",452-77-7,9957,3-fluoro-4-methylaniline,CC1=C(C=C(C=C1)N)F,"InChI=1S/C7H8FN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3",MGRHBBRSAFPBIN-UHFFFAOYSA-N,C7H8FN,125.14,125.0640774,0.9,26,94,0,1,2,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"p-Toluidine, 2-fluoro-",452-80-2,67984,2-fluoro-4-methylaniline,CC1=CC(=C(C=C1)N)F,"InChI=1S/C7H8FN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3",ZQEXBVHABAJPHJ-UHFFFAOYSA-N,C7H8FN,125.14,125.0640774,1.4,26,94,0,1,2,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"p-Cresol, 2-amino-alpha,alpha,alpha-trifluoro-",454-81-9,120246,2-amino-4-(trifluoromethyl)phenol,C1=CC(=C(C=C1C(F)(F)F)N)O,"InChI=1S/C7H6F3NO/c8-7(9,10)4-1-2-6(12)5(11)3-4/h1-3,12H,11H2",BHTKIYIEMXRHGL-UHFFFAOYSA-N,C7H6F3NO,177.12,177.0401483,1.7,46.3,159,0,2,5,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, p-fluoro-, hydrazide",456-06-4,9972,4-fluorobenzohydrazide,C1=CC(=CC=C1C(=O)NN)F,"InChI=1S/C7H7FN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11)",UIVXXFYJRYVRKJ-UHFFFAOYSA-N,C7H7FN2O,154.14,154.054241,0.7,55.1,143,0,2,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrocinnamic acid, alpha-fluoro-",457-45-4,9978,2-fluoro-3-phenylpropanoic acid,C1=CC=C(C=C1)CC(C(=O)O)F,"InChI=1S/C9H9FO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)",SFJKLGCBWSLDGQ-UHFFFAOYSA-N,C9H9FO2,168.16,168.0586577,2.2,37.3,153,0,1,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, p-fluoro-alpha-methyl-, hydrochloride",459-01-8,120675,1-(4-fluorophenyl)propan-2-amine;hydrochloride,CC(CC1=CC=C(C=C1)F)N.Cl,"InChI=1S/C9H12FN.ClH/c1-7(11)6-8-2-4-9(10)5-3-8;/h2-5,7H,6,11H2,1H3;1H",GKWYMWZWSCKSMT-UHFFFAOYSA-N,C9H13ClFN,189.66,189.0720553,,26,108,0,2,2,2,12,,,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,1
"Butyric acid, 2-ethyl-2-phenyl-, 2-(2-(diethylamino)ethoxy)ethyl ester",468-61-1,4619,2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate,CCC(CC)(C1=CC=CC=C1)C(=O)OCCOCCN(CC)CC,"InChI=1S/C20H33NO3/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4/h9-13H,5-8,14-17H2,1-4H3",IQADUMSPOQKAAO-UHFFFAOYSA-N,C20H33NO3,335.5,335.2460439,4,38.8,332,0,0,4,13,24,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"o-Crotonotoluidide, N-ethyl-",483-63-6,2883,N-ethyl-N-(2-methylphenyl)but-2-enamide,CCN(C1=CC=CC=C1C)C(=O)C=CC,"InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3",DNTGGZPQPQTDQF-UHFFFAOYSA-N,C13H17NO,203.28,203.1310142,2.8,20.3,235,0,0,1,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"Alanine, 3-(3-hydroxyanthraniloyl)-",484-78-6,89,2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid,C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)O)N,"InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)",VCKPUUFAIGNJHC-UHFFFAOYSA-N,C10H12N2O4,224.21,224.0797069,-2.5,127,282,0,4,6,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Crotonic acid, 3-methyl-, 2-sec-butyl-4,6-dinitrophenyl ester",485-31-4,10234,"(2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate",CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=C(C)C,"InChI=1S/C15H18N2O6/c1-5-10(4)12-7-11(16(19)20)8-13(17(21)22)15(12)23-14(18)6-9(2)3/h6-8,10H,5H2,1-4H3",ZRDUSMYWDRPZRM-UHFFFAOYSA-N,C15H18N2O6,322.31,322.1164863,4.6,118,489,0,0,6,5,23,,,1,1,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Benzene, 5-allyl-1,2,3-trimethoxy-",487-11-6,10248,"1,2,3-trimethoxy-5-prop-2-enylbenzene",COC1=CC(=CC(=C1OC)OC)CC=C,"InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3",BPLQKQKXWHCZSS-UHFFFAOYSA-N,C12H16O3,208.25,208.1099444,2.5,27.7,179,0,0,3,5,15,,152.00 to 156.00 °C. @ 17.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Pyrocatechol, 2-isopropyl-6-methyl-",490-06-2,95873,"3-methyl-6-propan-2-ylbenzene-1,2-diol",CC1=C(C(=C(C=C1)C(C)C)O)O,"InChI=1S/C10H14O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4-6,11-12H,1-3H3",LYUBXLHGANLIMX-UHFFFAOYSA-N,C10H14O2,166.22,166.0993797,2.7,40.5,145,0,2,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Benzoic acid, 2-fluoro-, sodium salt",490-97-1,2782214,sodium 2-fluorobenzoate,C1=CC=C(C(=C1)C(=O)[O-])F.[Na+],"InChI=1S/C7H5FO2.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1",AKLMJAAHRPOLKF-UHFFFAOYSA-M,C7H4FNaO2,162.09,162.0093018,,40.1,140,0,0,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 3-chloro-4-nitro-",491-11-2,10283,3-chloro-4-nitrophenol,C1=CC(=C(C=C1O)Cl)[N+](=O)[O-],"InChI=1S/C6H4ClNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H",DKTRZBWXGOPYIX-UHFFFAOYSA-N,C6H4ClNO3,173.55,172.9879707,2.1,66.1,158,0,1,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propionamide, N-benzyl-3-chloro-",501-68-8,10391,N-benzyl-3-chloropropanamide,C1=CC=C(C=C1)CNC(=O)CCCl,"InChI=1S/C10H12ClNO/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)",JPYQFYIEOUVJDU-UHFFFAOYSA-N,C10H12ClNO,197.66,197.0607417,1.7,29.1,155,0,1,1,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenesulfonic acid, ethyl ester",515-46-8,10585,ethyl benzenesulfonate,CCOS(=O)(=O)C1=CC=CC=C1,"InChI=1S/C8H10O3S/c1-2-11-12(9,10)8-6-4-3-5-7-8/h3-7H,2H2,1H3",XDRMBCMMABGNMM-UHFFFAOYSA-N,C8H10O3S,186.23,186.0350654,1.4,51.8,209,0,0,3,3,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Aniline, 2,3,4,5,6-pentachloro-",527-20-8,10693,"2,3,4,5,6-pentachloroaniline",C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)N,InChI=1S/C6H2Cl5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2,KHCZSJXTDDHLGJ-UHFFFAOYSA-N,C6H2Cl5N,265.3,264.860037,5.1,26,150,0,1,1,0,12,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Phenol, 2-amino-4,6-dichloro-",527-62-8,10699,"2-amino-4,6-dichlorophenol",C1=C(C=C(C(=C1N)O)Cl)Cl,"InChI=1S/C6H5Cl2NO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H,9H2",WASQBNCGNUTVNI-UHFFFAOYSA-N,C6H5Cl2NO,178.01,176.9748192,2.3,46.3,122,0,2,2,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Propanone, 1-(4-methoxyphenyl)-2-(methylamino)-",530-54-1,216281,1-(4-methoxyphenyl)-2-(methylamino)propan-1-one,CC(C(=O)C1=CC=C(C=C1)OC)NC,"InChI=1S/C11H15NO2/c1-8(12-2)11(13)9-4-6-10(14-3)7-5-9/h4-8,12H,1-3H3",MQUIHBQDYYAEMH-UHFFFAOYSA-N,C11H15NO2,193.24,193.1102787,1.6,38.3,186,0,1,3,4,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Benzenemethanol, 4-hydroxy-3,5-dimethoxy-",530-56-3,10741,"4-(hydroxymethyl)-2,6-dimethoxyphenol",COC1=CC(=CC(=C1O)OC)CO,"InChI=1S/C9H12O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4,10-11H,5H2,1-2H3",LUOAEJWSKPQLJD-UHFFFAOYSA-N,C9H12O4,184.19,184.0735589,0.6,58.9,137,0,2,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Butanol, 1-(dimethylamino)-2-methyl-, benzoate, hydrochloride",532-59-2,10766,[1-(dimethylamino)-2-methylbutan-2-yl] benzoate;hydrochloride,CCC(C)(CN(C)C)OC(=O)C1=CC=CC=C1.Cl,"InChI=1S/C14H21NO2.ClH/c1-5-14(2,11-15(3)4)17-13(16)12-9-7-6-8-10-12;/h6-10H,5,11H2,1-4H3;1H",YCAXNWFCHTZUMD-UHFFFAOYSA-N,C14H22ClNO2,271.78,271.1339066,,29.5,247,0,1,3,6,18,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Guanidine, ((4-oxo-2,5-cyclohexadien-1-ylidene)amino)-, thiosemicarbazone",539-21-9,1549158,[4-[2-(diaminomethylidene)hydrazinyl]phenyl]iminothiourea,C1=CC(=CC=C1NN=C(N)N)N=NC(=S)N,"InChI=1S/C8H11N7S/c9-7(10)14-12-5-1-3-6(4-2-5)13-15-8(11)16/h1-4,12H,(H2,11,16)(H4,9,10,14)",ANZIOUQAFBXNHU-UHFFFAOYSA-N,C8H11N7S,237.29,237.0796646,0.7,159,289,0,4,4,3,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hydrazine, p-tolyl-",539-44-6,10875,(4-methylphenyl)hydrazine,CC1=CC=C(C=C1)NN,"InChI=1S/C7H10N2/c1-6-2-4-7(9-8)5-3-6/h2-5,9H,8H2,1H3",XAMBIJWZVIZZOG-UHFFFAOYSA-N,C7H10N2,122.17,122.0843983,1.4,38.1,75,0,2,2,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"p-Cymene-2-carboxylic acid, 3-hydroxy-",548-51-6,11052,2-hydroxy-6-methyl-3-propan-2-ylbenzoic acid,CC1=C(C(=C(C=C1)C(C)C)O)C(=O)O,"InChI=1S/C11H14O3/c1-6(2)8-5-4-7(3)9(10(8)12)11(13)14/h4-6,12H,1-3H3,(H,13,14)",FNWNGQGTFICQJU-UHFFFAOYSA-N,C11H14O3,194.23,194.0942943,3.1,57.5,213,0,2,3,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Propanol, 3-(diethylamino)-2,2-dimethyl-, p-aminobenzoate, hydrochloride",553-63-9,120286,"[3-(diethylamino)-2,2-dimethylpropyl] 4-aminobenzoate;hydrochloride",CCN(CC)CC(C)(C)COC(=O)C1=CC=C(C=C1)N.Cl,"InChI=1S/C16H26N2O2.ClH/c1-5-18(6-2)11-16(3,4)12-20-15(19)13-7-9-14(17)10-8-13;/h7-10H,5-6,11-12,17H2,1-4H3;1H",WWTWKTDXBNHESE-UHFFFAOYSA-N,C16H27ClN2O2,314.8,314.1761058,,55.6,293,0,2,4,8,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 4-(2-aminoethyl)-2-methoxy-",554-52-9,1669,4-(2-aminoethyl)-2-methoxyphenol,COC1=C(C=CC(=C1)CCN)O,"InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3",DIVQKHQLANKJQO-UHFFFAOYSA-N,C9H13NO2,167.2,167.0946287,0.2,55.5,130,0,2,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzene, 2-bromo-1,3-dimethyl-",576-22-7,68471,"2-bromo-1,3-dimethylbenzene",CC1=C(C(=CC=C1)C)Br,"InChI=1S/C8H9Br/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3",MYMYVYZLMUEVED-UHFFFAOYSA-N,C8H9Br,185.06,183.98876,3.3,0,80,0,0,0,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"m-Toluidine, 6-nitro-",578-46-1,11356,5-methyl-2-nitroaniline,CC1=CC(=C(C=C1)[N+](=O)[O-])N,"InChI=1S/C7H8N2O2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,8H2,1H3",IGDYNWKWXUCIJB-UHFFFAOYSA-N,C7H8N2O2,152.15,152.0585775,2,71.8,155,0,1,3,0,11,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Acetanilide, N-chloro-",579-11-3,11365,N-chloro-N-phenylacetamide,CC(=O)N(C1=CC=CC=C1)Cl,"InChI=1S/C8H8ClNO/c1-7(11)10(9)8-5-3-2-4-6-8/h2-6H,1H3",QNVKMXGRFVLMBM-UHFFFAOYSA-N,C8H8ClNO,169.61,169.0294416,1.9,20.3,143,0,0,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"Phenethylamine, beta-methyl-",582-22-9,11398,2-phenylpropan-1-amine,CC(CN)C1=CC=CC=C1,"InChI=1S/C9H13N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3",AXORVIZLPOGIRG-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,2.2,26,84,0,1,1,2,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Phenol, o-(2-(methylamino)propyl)-",582-43-4,11405,2-[2-(methylamino)propyl]phenol,CC(CC1=CC=CC=C1O)NC,"InChI=1S/C10H15NO/c1-8(11-2)7-9-5-3-4-6-10(9)12/h3-6,8,11-12H,7H2,1-2H3",SAHBITMBCTXQOR-UHFFFAOYSA-N,C10H15NO,165.23,165.1153641,1.9,32.3,127,0,2,2,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"p-Cymene-2-carboxylic acid, 5-hydroxy-",584-44-1,11440,4-hydroxy-2-methyl-5-propan-2-ylbenzoic acid,CC1=CC(=C(C=C1C(=O)O)C(C)C)O,"InChI=1S/C11H14O3/c1-6(2)8-5-9(11(13)14)7(3)4-10(8)12/h4-6,12H,1-3H3,(H,13,14)",FZGYCAHIHBHTNY-UHFFFAOYSA-N,C11H14O3,194.23,194.0942943,2.8,57.5,213,0,2,3,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1-(m-chlorophenyl)-3,3-dimethyl-",587-34-8,11480,"3-(3-chlorophenyl)-1,1-dimethylurea",CN(C)C(=O)NC1=CC(=CC=C1)Cl,"InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-4-7(10)6-8/h3-6H,1-2H3,(H,11,13)",QLQDWOFJALEHSP-UHFFFAOYSA-N,C9H11ClN2O,198.65,198.0559907,2,32.3,184,0,1,1,1,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Acetanilide, 2-chloro-",587-65-5,11485,2-chloro-N-phenylacetamide,C1=CC=C(C=C1)NC(=O)CCl,"InChI=1S/C8H8ClNO/c9-6-8(11)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)",VONWPEXRCLHKRJ-UHFFFAOYSA-N,C8H8ClNO,169.61,169.0294416,1.6,29.1,132,0,1,1,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, (4-chloro-3-methylphenoxy)-",588-20-5,95696,2-(4-chloro-3-methylphenoxy)acetic acid,CC1=C(C=CC(=C1)OCC(=O)O)Cl,"InChI=1S/C9H9ClO3/c1-6-4-7(2-3-8(6)10)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)",FBGYNJKXMKWETB-UHFFFAOYSA-N,C9H9ClO3,200.62,200.0240218,2.8,46.5,184,0,1,3,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, 2-(3-chlorophenoxy)-",588-32-9,11497,2-(3-chlorophenoxy)acetic acid,C1=CC(=CC(=C1)Cl)OCC(=O)O,"InChI=1S/C8H7ClO3/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)",XSBUXVWJQVTYLC-UHFFFAOYSA-N,C8H7ClO3,186.59,186.0083718,2,46.5,160,0,1,3,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 1,3-dichloro-2-nitro-",601-88-7,11759,"1,3-dichloro-2-nitrobenzene",C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])Cl,InChI=1S/C6H3Cl2NO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H,VITSNECNFNNVQB-UHFFFAOYSA-N,C6H3Cl2NO2,192,190.9540837,3,45.8,149,0,0,2,0,11,,at 1.1kPa: 130Â °C,0,1,0,1,0,1,1,0,0,0,1,0,0,0,0,0,0,1,0,0
"Benzoic acid, 2,3-dimethyl-",603-79-2,11782,"2,3-dimethylbenzoic acid",CC1=C(C(=CC=C1)C(=O)O)C,"InChI=1S/C9H10O2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H,10,11)",RIZUCYSQUWMQLX-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,2.8,37.3,154,0,1,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phthalic acid, diisopentyl ester",605-50-5,69059,"bis(3-methylbutyl) benzene-1,2-dicarboxylate",CC(C)CCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C,"InChI=1S/C18H26O4/c1-13(2)9-11-21-17(19)15-7-5-6-8-16(15)18(20)22-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3",JANBFCARANRIKJ-UHFFFAOYSA-N,C18H26O4,306.4,306.1831093,5.6,52.6,315,0,0,4,10,22,,,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Aniline, 2,6-dinitro-",606-22-4,69070,"2,6-dinitroaniline",C1=CC(=C(C(=C1)[N+](=O)[O-])N)[N+](=O)[O-],"InChI=1S/C6H5N3O4/c7-6-4(8(10)11)2-1-3-5(6)9(12)13/h1-3H,7H2",QFUSCYRJMXLNRB-UHFFFAOYSA-N,C6H5N3O4,183.12,183.0280057,1.8,118,199,0,1,5,0,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"Benzaldehyde, 2,6-dinitro-",606-31-5,69073,"2,6-dinitrobenzaldehyde",C1=CC(=C(C(=C1)[N+](=O)[O-])C=O)[N+](=O)[O-],InChI=1S/C7H4N2O5/c10-4-5-6(8(11)12)2-1-3-7(5)9(13)14/h1-4H,WHFZQNNDIJKLIO-UHFFFAOYSA-N,C7H4N2O5,196.12,196.0120212,0.6,109,234,0,0,5,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, N-(2,4,6-trichlorophenyl)-",607-94-3,95872,"N-(2,4,6-trichlorophenyl)acetamide",CC(=O)NC1=C(C=C(C=C1Cl)Cl)Cl,"InChI=1S/C8H6Cl3NO/c1-4(13)12-8-6(10)2-5(9)3-7(8)11/h2-3H,1H3,(H,12,13)",UYAFIBWBOORJHP-UHFFFAOYSA-N,C8H6Cl3NO,238.5,236.951497,1.9,29.1,188,0,1,1,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 2,4-dichloro-6-nitro-",609-89-2,11871,"2,4-dichloro-6-nitrophenol",C1=C(C=C(C(=C1[N+](=O)[O-])O)Cl)Cl,"InChI=1S/C6H3Cl2NO3/c7-3-1-4(8)6(10)5(2-3)9(11)12/h1-2,10H",LYPMXMBQPXPNIQ-UHFFFAOYSA-N,C6H3Cl2NO3,208,206.9489983,3.5,66.1,184,0,1,3,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 5-hydroxy-2-nitro-",610-37-7,11882,5-hydroxy-2-nitrobenzoic acid,C1=CC(=C(C=C1O)C(=O)O)[N+](=O)[O-],"InChI=1S/C7H5NO5/c9-4-1-2-6(8(12)13)5(3-4)7(10)11/h1-3,9H,(H,10,11)",BUHKQTKKZAXSMH-UHFFFAOYSA-N,C7H5NO5,183.12,183.0167723,1.1,103,223,0,2,5,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 1-(chloromethyl)-2,4-dinitro-",610-57-1,69125,"1-(chloromethyl)-2,4-dinitrobenzene",C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CCl,"InChI=1S/C7H5ClN2O4/c8-4-5-1-2-6(9(11)12)3-7(5)10(13)14/h1-3H,4H2",DARDYTBLZQDXBK-UHFFFAOYSA-N,C7H5ClN2O4,216.58,215.9937843,2,91.6,237,0,0,4,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 4-amino-3-nitro-",610-81-1,3758882,4-amino-3-nitrophenol,C1=CC(=C(C=C1O)[N+](=O)[O-])N,"InChI=1S/C6H6N2O3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9H,7H2",IQXUIDYRTHQTET-UHFFFAOYSA-N,C6H6N2O3,154.12,154.0378421,0.9,92.1,156,0,2,4,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Benzoic acid, 2,4,5-trihydroxy-",610-90-2,69129,"2,4,5-trihydroxybenzoic acid",C1=C(C(=CC(=C1O)O)O)C(=O)O,"InChI=1S/C7H6O5/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,8-10H,(H,11,12)",GPDXFYPVHRESMA-UHFFFAOYSA-N,C7H6O5,170.12,170.0215233,0.9,98,181,0,4,5,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"o-Tolunitrile, alpha-chloro-",612-13-5,69152,2-(chloromethyl)benzonitrile,C1=CC=C(C(=C1)CCl)C#N,"InChI=1S/C8H6ClN/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5H2",ZSHNOXOGXHXLAV-UHFFFAOYSA-N,C8H6ClN,151.59,151.0188769,2.2,23.8,147,0,0,1,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, N-ethyl-",614-17-5,11959,N-ethylbenzamide,CCNC(=O)C1=CC=CC=C1,"InChI=1S/C9H11NO/c1-2-10-9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)",SDIDYFBTIZOPLA-UHFFFAOYSA-N,C9H11NO,149.19,149.084064,1.4,29.1,128,0,1,1,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, benzoyl-",614-22-2,69190,N-carbamoylbenzamide,C1=CC=C(C=C1)C(=O)NC(=O)N,"InChI=1S/C8H8N2O2/c9-8(12)10-7(11)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)",HRYILSDLIGTCOP-UHFFFAOYSA-N,C8H8N2O2,164.16,164.0585775,1.2,72.2,185,0,2,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 1-benzoyl-2-thio-",614-23-3,2735473,N-carbamothioylbenzamide,C1=CC=C(C=C1)C(=O)NC(=S)N,"InChI=1S/C8H8N2OS/c9-8(12)10-7(11)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)",DQMWMUMCNOJLSI-UHFFFAOYSA-N,C8H8N2OS,180.23,180.0357341,1.6,87.2,187,0,2,2,1,12,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"m-Cresol, 4-nitroso-",615-01-0,11981,3-methyl-4-nitrosophenol,CC1=C(C=CC(=C1)O)N=O,"InChI=1S/C7H7NO2/c1-5-4-6(9)2-3-7(5)8-10/h2-4,9H,1H3",XGCZABZDVJOWTL-UHFFFAOYSA-N,C7H7NO2,137.14,137.0476785,0.7,49.7,127,0,1,3,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,4-Benzenetriamine",615-71-4,69206,"benzene-1,2,4-triamine",C1=CC(=C(C=C1N)N)N,"InChI=1S/C6H9N3/c7-4-1-2-5(8)6(9)3-4/h1-3H,7-9H2",JSYBAZQQYCNZJE-UHFFFAOYSA-N,C6H9N3,123.16,123.0796473,0,78.1,94,0,3,3,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Benzoic acid, (p-phosphono)-",618-21-3,12054,4-phosphonobenzoic acid,C1=CC(=CC=C1C(=O)O)P(=O)(O)O,"InChI=1S/C7H7O5P/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4H,(H,8,9)(H2,10,11,12)",IEQICHVXWFGDAN-UHFFFAOYSA-N,C7H7O5P,202.1,202.0031103,-0.5,94.8,237,0,3,5,2,13,,,0,0,1,1,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"Benzamide, 3-chloro-",618-48-4,69254,3-chlorobenzamide,C1=CC(=CC(=C1)Cl)C(=O)N,"InChI=1S/C7H6ClNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)",MJTGQALMWUUPQM-UHFFFAOYSA-N,C7H6ClNO,155.58,155.0137915,1.5,43.1,138,0,1,1,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Benzamide, 3,4,5-trihydroxy-",618-73-5,69256,"3,4,5-trihydroxybenzamide",C1=C(C=C(C(=C1O)O)O)C(=O)N,"InChI=1S/C7H7NO4/c8-7(12)3-1-4(9)6(11)5(10)2-3/h1-2,9-11H,(H2,8,12)",RBQIPEJXQPQFJX-UHFFFAOYSA-N,C7H7NO4,169.13,169.0375077,0,104,172,0,4,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Toluene, 3,5-dinitro-",618-85-9,12067,"1-methyl-3,5-dinitrobenzene",CC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C7H6N2O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3",RUIFULUFLANOCI-UHFFFAOYSA-N,C7H6N2O4,182.13,182.0327567,1.9,91.6,198,0,0,4,0,13,404 °F,Sublimes,0,1,1,1,0,1,1,0,0,0,1,0,0,1,0,0,0,0,1,0
"Aniline, 3,5-dinitro-",618-87-1,12068,"3,5-dinitroaniline",C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N,"InChI=1S/C6H5N3O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H,7H2",MPBZUKLDHPOCLS-UHFFFAOYSA-N,C6H5N3O4,183.12,183.0280057,1.9,118,199,0,1,5,0,13,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Benzamide, 4-chloro-",619-56-7,12084,4-chlorobenzamide,C1=CC(=CC=C1C(=O)N)Cl,"InChI=1S/C7H6ClNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)",BLNVISNJTIRAHF-UHFFFAOYSA-N,C7H6ClNO,155.58,155.0137915,1.6,43.1,130,0,1,1,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, p-(dimethylamino)-",619-60-3,22174,4-(dimethylamino)phenol,CN(C)C1=CC=C(C=C1)O,"InChI=1S/C8H11NO/c1-9(2)7-3-5-8(10)6-4-7/h3-6,10H,1-2H3",JVVRCYWZTJLJSG-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,2.1,23.5,95,0,1,2,1,10,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
alpha-Toluenearsonic acid,620-27-9,94911,benzylarsonic acid,C1=CC=C(C=C1)C[As](=O)(O)O,"InChI=1S/C7H9AsO3/c9-8(10,11)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10,11)",ODQMOSYKHALMPU-UHFFFAOYSA-N,C7H9AsO3,216.07,215.976764,,57.5,157,0,2,3,2,11,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 1-ethyl-3-phenyl-",621-04-5,12115,1-ethyl-3-phenylurea,CCNC(=O)NC1=CC=CC=C1,"InChI=1S/C9H12N2O/c1-2-10-9(12)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,11,12)",XUFXDODGXLVPNJ-UHFFFAOYSA-N,C9H12N2O,164.2,164.094963,1.6,41.1,141,0,2,1,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Hexananilide,621-15-8,12118,N-phenylhexanamide,CCCCCC(=O)NC1=CC=CC=C1,"InChI=1S/C12H17NO/c1-2-3-5-10-12(14)13-11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3,(H,13,14)",JBTCHCWUNMZNEO-UHFFFAOYSA-N,C12H17NO,191.27,191.1310142,3.3,29.1,162,0,1,1,5,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, m-(ethylamino)-",621-31-8,578991,3-(ethylamino)phenol,CCNC1=CC(=CC=C1)O,"InChI=1S/C8H11NO/c1-2-9-7-4-3-5-8(10)6-7/h3-6,9-10H,2H2,1H3",TVKZDKSHNITMRZ-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,1.9,32.3,95,0,2,2,2,10,,"349 °F at 12 mmHg (NTP, 1992)",0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetanilide, 3'-bromo-",621-38-5,12123,N-(3-bromophenyl)acetamide,CC(=O)NC1=CC(=CC=C1)Br,"InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)",XXHOHJTVFUJJMT-UHFFFAOYSA-N,C8H8BrNO,214.06,212.97893,2.3,29.1,149,0,1,1,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetonitrile, (m-nitrophenyl)-",621-50-1,12125,2-(3-nitrophenyl)acetonitrile,C1=CC(=CC(=C1)[N+](=O)[O-])CC#N,"InChI=1S/C8H6N2O2/c9-5-4-7-2-1-3-8(6-7)10(11)12/h1-3,6H,4H2",WAVKEPUFQMUGBP-UHFFFAOYSA-N,C8H6N2O2,162.15,162.0429274,1.8,69.6,213,0,0,3,1,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hydrocinnamic acid, m-hydroxy-",621-54-5,91,3-(3-hydroxyphenyl)propanoic acid,C1=CC(=CC(=C1)O)CCC(=O)O,"InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12)",QVWAEZJXDYOKEH-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.4,57.5,156,0,2,3,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Imidocarbonyl chloride, phenyl-",622-44-6,12145,"1,1-dichloro-N-phenylmethanimine",C1=CC=C(C=C1)N=C(Cl)Cl,InChI=1S/C7H5Cl2N/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,TTWWZVGVBRPHLE-UHFFFAOYSA-N,C7H5Cl2N,174.02,172.9799046,3.8,12.4,124,0,0,1,1,10,,210 °C @ 760 MM HG,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isothiocyanic acid, 4-tolyl ester",622-59-3,12149,1-isothiocyanato-4-methylbenzene,CC1=CC=C(C=C1)N=C=S,"InChI=1S/C8H7NS/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3",ABQKHKWXTUVKGF-UHFFFAOYSA-N,C8H7NS,149.21,149.0299204,3.9,44.5,141,0,0,2,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"1,2-Benzenediol, diacetate",635-67-6,12479,(2-acetyloxyphenyl) acetate,CC(=O)OC1=CC=CC=C1OC(=O)C,"InChI=1S/C10H10O4/c1-7(11)13-9-5-3-4-6-10(9)14-8(2)12/h3-6H,1-2H3",FBSAITBEAPNWJG-UHFFFAOYSA-N,C10H10O4,194.18,194.0579088,1.2,52.6,200,0,0,4,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Phenethylamine, 3,4-dimethoxy-, hydrochloride",635-85-8,71555,"2-(3,4-dimethoxyphenyl)ethanamine;hydrochloride",COC1=C(C=C(C=C1)CCN)OC.Cl,"InChI=1S/C10H15NO2.ClH/c1-12-9-4-3-8(5-6-11)7-10(9)13-2;/h3-4,7H,5-6,11H2,1-2H3;1H",WIOOTMZLCZPTDW-UHFFFAOYSA-N,C10H16ClNO2,217.69,217.0869564,,44.5,141,0,2,3,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4,5-Benzenetetrol",636-32-8,69464,"benzene-1,2,4,5-tetrol",C1=C(C(=CC(=C1O)O)O)O,"InChI=1S/C6H6O4/c7-3-1-4(8)6(10)2-5(3)9/h1-2,7-10H",UYQMSQMCIYSXOW-UHFFFAOYSA-N,C6H6O4,142.11,142.0266087,0.5,80.9,90,0,4,4,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"m-Toluidine, hydrochloride",638-03-9,522105,3-methylaniline;hydrochloride,CC1=CC(=CC=C1)N.Cl,"InChI=1S/C7H9N.ClH/c1-6-3-2-4-7(8)5-6;/h2-5H,8H2,1H3;1H",VDXZPXIEEVOGLV-UHFFFAOYSA-N,C7H10ClN,143.61,143.050177,,26,70,0,2,1,0,9,,"482 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"Hydrazine, 1-ethyl-1-phenyl-",644-21-3,69517,1-ethyl-1-phenylhydrazine,CCN(C1=CC=CC=C1)N,"InChI=1S/C8H12N2/c1-2-10(9)8-6-4-3-5-7-8/h3-7H,2,9H2,1H3",NQSIARGGPGHMCG-UHFFFAOYSA-N,C8H12N2,136.19,136.1000484,2.2,29.3,87,0,1,2,2,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"p-Anisic acid, 3-hydroxy-",645-08-9,12575,3-hydroxy-4-methoxybenzoic acid,COC1=C(C=C(C=C1)C(=O)O)O,"InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)",LBKFGYZQBSGRHY-UHFFFAOYSA-N,C8H8O4,168.15,168.0422587,1.4,66.8,168,0,2,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"m-Formotoluidide, alpha,alpha,alpha-trifluoro-",657-78-3,12609,N-[3-(trifluoromethyl)phenyl]formamide,C1=CC(=CC(=C1)NC=O)C(F)(F)F,"InChI=1S/C8H6F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-5H,(H,12,13)",PPECHNDWLRNHEA-UHFFFAOYSA-N,C8H6F3NO,189.13,189.0401483,2.6,29.1,181,0,1,4,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenesulfonamide, p-(methylsulfonyl)-",667-24-3,120313,4-methylsulfonylbenzenesulfonamide,CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N,"InChI=1S/C7H9NO4S2/c1-13(9,10)6-2-4-7(5-3-6)14(8,11)12/h2-5H,1H3,(H2,8,11,12)",OXLLOGLZHQOVJQ-UHFFFAOYSA-N,C7H9NO4S2,235.3,234.9973001,-0.3,111,378,0,1,5,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, alpha-methyl-m-trifluoromethyl-, hydrochloride",673-18-7,120765,1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydrochloride,CC(CC1=CC(=CC=C1)C(F)(F)F)N.Cl,"InChI=1S/C10H12F3N.ClH/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13;/h2-4,6-7H,5,14H2,1H3;1H",PIDLOFBRTWNFAR-UHFFFAOYSA-N,C10H13ClF3N,239.66,239.0688616,,26,179,0,2,4,2,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenediazonium, p-chloro-, tetrafluoroborate(1-)",673-41-6,11085506,4-chlorobenzenediazonium tetrafluoroborate,[B-](F)(F)(F)F.C1=CC(=CC=C1[N+]#N)Cl,"InChI=1S/C6H4ClN2.BF4/c7-5-1-3-6(9-8)4-2-5;2-1(3,4)5/h1-4H;/q+1;-1",HGYBTBSOTHVJJT-UHFFFAOYSA-N,C6H4BClF4N2,226.37,226.0092186,,28.2,148,0,0,6,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, 2-amino-2-phenyl-",700-63-0,12791,2-amino-2-phenylacetamide,C1=CC=C(C=C1)C(C(=O)N)N,"InChI=1S/C8H10N2O/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H2,10,11)",KIYRSYYOVDHSPG-UHFFFAOYSA-N,C8H10N2O,150.18,150.0793129,-0.1,69.1,141,0,2,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenesulfonamide, p-bromo-",701-34-8,69696,4-bromobenzenesulfonamide,C1=CC(=CC=C1S(=O)(=O)N)Br,"InChI=1S/C6H6BrNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)",STYQHICBPYRHQK-UHFFFAOYSA-N,C6H6BrNO2S,236.09,234.93026,1.4,68.5,213,0,1,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 1-(2-nitropropenyl)-",705-60-2,1549520,[(E)-2-nitroprop-1-enyl]benzene,C/C(=C\C1=CC=CC=C1)/[N+](=O)[O-],"InChI=1S/C9H9NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3/b8-7+",WGSVFWFSJDAYBM-BQYQJAHWSA-N,C9H9NO2,163.17,163.0633285,2.5,45.8,187,0,0,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Styrene, p-fluoro-beta-nitro-",706-08-1,98399,1-fluoro-4-(2-nitroethenyl)benzene,C1=CC(=CC=C1C=C[N+](=O)[O-])F,InChI=1S/C8H6FNO2/c9-8-3-1-7(2-4-8)5-6-10(11)12/h1-6H,VRFSQVFSQAYHRU-UHFFFAOYSA-N,C8H6FNO2,167.14,167.0382566,1.9,45.8,180,0,0,3,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Propanediol, 2-amino-1-(p-nitrophenyl)-, D-threo-(-)-",716-61-0,69745,"(1R,2R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol",C1=CC(=CC=C1[C@H]([C@@H](CO)N)O)[N+](=O)[O-],"InChI=1S/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2/t8-,9-/m1/s1",OCYJXSUPZMNXEN-RKDXNWHRSA-N,C9H12N2O4,212.2,212.0797069,-0.7,112,211,0,3,5,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"o-Propionotoluidide, 2-(propylamino)-",721-50-6,4906,N-(2-methylphenyl)-2-(propylamino)propanamide,CCCNC(C)C(=O)NC1=CC=CC=C1C,"InChI=1S/C13H20N2O/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2/h5-8,11,14H,4,9H2,1-3H3,(H,15,16)",MVFGUOIZUNYYSO-UHFFFAOYSA-N,C13H20N2O,220.31,220.1575633,2.1,41.1,218,0,2,2,5,16,,159-162 °C at 1.00E-01 mm Hg,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Phenol, 2,6-di-tert-butyl-4-nitro-",728-40-5,69765,"2,6-ditert-butyl-4-nitrophenol",CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)[N+](=O)[O-],"InChI=1S/C14H21NO3/c1-13(2,3)10-7-9(15(17)18)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3",FCGKUUOTWLWJHE-UHFFFAOYSA-N,C14H21NO3,251.32,251.1521435,4.7,66.1,284,0,1,3,2,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Sulfamide, N-((dichlorofluoromethyl)thio)-N',N'-dimethyl-N-(p-tolyl)-",731-27-1,12898,N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline,CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C,"InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3",HYVWIQDYBVKITD-UHFFFAOYSA-N,C10H13Cl2FN2O2S2,347.3,345.9779536,3.9,74.3,393,0,0,6,5,19,,Decomposes on distillation,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,1,1
"Benzonitrile, m-chloro-",766-84-7,13015,3-chlorobenzonitrile,C1=CC(=CC(=C1)Cl)C#N,InChI=1S/C7H4ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H,WBUOVKBZJOIOAE-UHFFFAOYSA-N,C7H4ClN,137.56,137.0032268,1.7,23.8,135,0,0,1,0,9,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Ketone, phenyl vinyl",768-03-6,13028,1-phenylprop-2-en-1-one,C=CC(=O)C1=CC=CC=C1,"InChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h2-7H,1H2",KUIZKZHDMPERHR-UHFFFAOYSA-N,C9H8O,132.16,132.0575149,1.9,17.1,132,0,0,1,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Butene, 4-phenyl-",768-56-9,13033,but-3-enylbenzene,C=CCCC1=CC=CC=C1,"InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2,4-6,8-9H,1,3,7H2",PBGVMIDTGGTBFS-UHFFFAOYSA-N,C10H12,132.2,132.0939004,3.3,0,88,0,0,0,3,10,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"Benzoic acid, vinyl ester",769-78-8,13037,ethenyl benzoate,C=COC(=O)C1=CC=CC=C1,"InChI=1S/C9H8O2/c1-2-11-9(10)8-6-4-3-5-7-8/h2-7H,1H2",KOZCZZVUFDCZGG-UHFFFAOYSA-N,C9H8O2,148.16,148.0524295,2.3,26.3,146,0,0,2,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1-benzyl-1-nitroso-",775-11-1,96326,1-benzyl-1-nitrosourea,C1=CC=C(C=C1)CN(C(=O)N)N=O,"InChI=1S/C8H9N3O2/c9-8(12)11(10-13)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,12)",HBOGKXXMRLVGFX-UHFFFAOYSA-N,C8H9N3O2,179.18,179.0694765,0.9,75.8,190,0,1,3,2,13,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzene, 1-fluoro-4-(2-nitropropenyl)-",775-31-5,13053,1-fluoro-4-(2-nitroprop-1-enyl)benzene,CC(=CC1=CC=C(C=C1)F)[N+](=O)[O-],"InChI=1S/C9H8FNO2/c1-7(11(12)13)6-8-2-4-9(10)5-3-8/h2-6H,1H3",VOAXWARMFBBINZ-UHFFFAOYSA-N,C9H8FNO2,181.16,181.0539067,2.6,45.8,214,0,0,3,1,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propanone, 1-(3,4-dimethoxyphenyl)-",776-99-8,69896,"1-(3,4-dimethoxyphenyl)propan-2-one",CC(=O)CC1=CC(=C(C=C1)OC)OC,"InChI=1S/C11H14O3/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7H,6H2,1-3H3",UMYZWICEDUEWIM-UHFFFAOYSA-N,C11H14O3,194.23,194.0942943,1.1,35.5,191,0,0,3,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ether, 3-iodo-2-propynyl 2,4,5-trichlorophenyl",777-11-7,3561,"1,2,4-trichloro-5-(3-iodoprop-2-ynoxy)benzene",C1=C(C(=CC(=C1Cl)Cl)Cl)OCC#CI,"InChI=1S/C9H4Cl3IO/c10-6-4-8(12)9(5-7(6)11)14-3-1-2-13/h4-5H,3H2",CTETYYAZBPJBHE-UHFFFAOYSA-N,C9H4Cl3IO,361.4,359.83725,4.6,9.2,247,0,0,1,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Propionic acid, 2-((4-chloro-m-tolyl)oxy)-",777-54-8,120799,2-(4-chloro-3-methylphenoxy)propanoic acid,CC1=C(C=CC(=C1)OC(C)C(=O)O)Cl,"InChI=1S/C10H11ClO3/c1-6-5-8(3-4-9(6)11)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)",DRKJHOSTQZAYFT-UHFFFAOYSA-N,C10H11ClO3,214.64,214.0396719,3.1,46.5,208,0,1,3,3,14,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Terephthalamic acid, N-isopropyl-",779-47-5,69903,4-(propan-2-ylcarbamoyl)benzoic acid,CC(C)NC(=O)C1=CC=C(C=C1)C(=O)O,"InChI=1S/C11H13NO3/c1-7(2)12-10(13)8-3-5-9(6-4-8)11(14)15/h3-7H,1-2H3,(H,12,13)(H,14,15)",PRCGIFCKPACTDG-UHFFFAOYSA-N,C11H13NO3,207.23,207.0895433,1.5,66.4,242,0,2,3,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, 4-fluoro-",824-75-9,71572,4-fluorobenzamide,C1=CC(=CC=C1C(=O)N)F,"InChI=1S/C7H6FNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)",VNDHYTGVCGVETQ-UHFFFAOYSA-N,C7H6FNO,139.13,139.043342,0.9,43.1,130,0,1,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetonitrile, (dimethylamino)phenyl-",827-36-1,13227,2-(dimethylamino)-2-phenylacetonitrile,CN(C)C(C#N)C1=CC=CC=C1,"InChI=1S/C10H12N2/c1-12(2)10(8-11)9-6-4-3-5-7-9/h3-7,10H,1-2H3",PAGHXXKYFBGJEH-UHFFFAOYSA-N,C10H12N2,160.22,160.1000484,1.7,27,172,0,0,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butyric acid, 2-methyl-2-phenyl-",828-41-1,13234,2-methyl-2-phenylbutanoic acid,CCC(C)(C1=CC=CC=C1)C(=O)O,"InChI=1S/C11H14O2/c1-3-11(2,10(12)13)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,12,13)",IDZLDUPVMGWZLD-UHFFFAOYSA-N,C11H14O2,178.23,178.0993797,2.7,37.3,183,0,1,2,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenesulfonamide, p-(trifluoromethyl)-",830-43-3,70018,4-(trifluoromethyl)benzenesulfonamide,C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)N,"InChI=1S/C7H6F3NO2S/c8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h1-4H,(H2,11,12,13)",TVHXQQJDMHKGGK-UHFFFAOYSA-N,C7H6F3NO2S,225.19,225.0071341,1.3,68.5,285,0,1,6,1,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, 3,4,5-trimethoxy-, hydrochloride",832-92-8,71580,"2-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride",COC1=CC(=CC(=C1OC)OC)CCN.Cl,"InChI=1S/C11H17NO3.ClH/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3;/h6-7H,4-5,12H2,1-3H3;1H",FVZVSNDNKMOYKF-UHFFFAOYSA-N,C11H18ClNO3,247.72,247.0975211,,53.7,163,0,2,4,5,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Biguanide, 1-phenethyl-, monohydrochloride",834-28-6,13266,1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydrochloride,C1=CC=C(C=C1)CCN=C(N)N=C(N)N.Cl,"InChI=1S/C10H15N5.ClH/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H6,11,12,13,14,15);1H",YSUCWSWKRIOILX-UHFFFAOYSA-N,C10H16ClN5,241.72,241.1094232,,103,236,0,4,1,4,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hydroxylamine, O-(p-methoxybenzyl)-, hydrochloride",876-33-5,120425,O-[(4-methoxyphenyl)methyl]hydroxylamine;hydrochloride,COC1=CC=C(C=C1)CON.Cl,"InChI=1S/C8H11NO2.ClH/c1-10-8-4-2-7(3-5-8)6-11-9;/h2-5H,6,9H2,1H3;1H",DHEZQYZJFCIQQA-UHFFFAOYSA-N,C8H12ClNO2,189.64,189.0556563,,44.5,100,0,2,3,3,12,,,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,0
"Benzene, pentachloromethyl-",877-11-2,13412,"1,2,3,4,5-pentachloro-6-methylbenzene",CC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,InChI=1S/C7H3Cl5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3,AVSIMRGRHWKCAY-UHFFFAOYSA-N,C7H3Cl5,264.4,263.864788,5.4,0,146,0,0,0,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 1,2,3,4-tetrachloro-5-nitro-",879-39-0,13428,"1,2,3,4-tetrachloro-5-nitrobenzene",C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)[N+](=O)[O-],InChI=1S/C6HCl4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H,MTBYTWZDRVOMBR-UHFFFAOYSA-N,C6HCl4NO2,260.9,260.873189,4.9,45.8,209,0,0,2,0,13,,66 °C,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenemethanol, 4-hydroxy-3-methoxy-alpha-((methylamino)methyl)-, hydrochloride, (+-)-",881-95-8,102502,4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol;hydrochloride,CNCC(C1=CC(=C(C=C1)O)OC)O.Cl,"InChI=1S/C10H15NO3.ClH/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2;/h3-5,9,11-13H,6H2,1-2H3;1H",HRIQFVCFOPJYEQ-UHFFFAOYSA-N,C10H16ClNO3,233.69,233.0818711,,61.7,165,0,4,4,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"m-Xylene, alpha,alpha,alpha,alpha',alpha',alpha'-hexachloro-",881-99-2,13434,"1,3-bis(trichloromethyl)benzene",C1=CC(=CC(=C1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,"InChI=1S/C8H4Cl6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-4H",GGZIUXGYCNYNNV-UHFFFAOYSA-N,C8H4Cl6,312.8,311.841466,5.3,0,171,0,0,0,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propionic acid, 2-(p-chlorophenoxy)-2-methyl-",882-09-7,2797,2-(4-chlorophenoxy)-2-methylpropanoic acid,CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl,"InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)",TXCGAZHTZHNUAI-UHFFFAOYSA-N,C10H11ClO3,214.64,214.0396719,2.6,46.5,207,0,1,3,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenamine, 4-chloro-N-methyl-",932-96-7,70272,4-chloro-N-methylaniline,CNC1=CC=C(C=C1)Cl,"InChI=1S/C7H8ClN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3",XCEYKKJMLOFDSS-UHFFFAOYSA-N,C7H8ClN,141.6,141.034527,2.8,12,77,0,1,1,1,9,,,0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"Propiolonitrile, phenyl-",935-02-4,96382,3-phenylprop-2-ynenitrile,C1=CC=C(C=C1)C#CC#N,"InChI=1S/C9H5N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H",IYXVSRXFGYDNEV-UHFFFAOYSA-N,C9H5N,127.14,127.0421992,2.2,23.8,201,0,0,1,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Aniline, N-(2-chloroethyl)-",935-06-8,13631,N-(2-chloroethyl)aniline,C1=CC=C(C=C1)NCCCl,"InChI=1S/C8H10ClN/c9-6-7-10-8-4-2-1-3-5-8/h1-5,10H,6-7H2",KTDILAZSFSAPMD-UHFFFAOYSA-N,C8H10ClN,155.62,155.050177,2.1,12,79,0,1,1,3,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Aniline, p-bromo-N-methyl-N-nitroso-",937-23-5,13640,N-(4-bromophenyl)-N-methylnitrous amide,CN(C1=CC=C(C=C1)Br)N=O,"InChI=1S/C7H7BrN2O/c1-10(9-11)7-4-2-6(8)3-5-7/h2-5H,1H3",ALPCWHBDOURDHG-UHFFFAOYSA-N,C7H7BrN2O,215.05,213.97418,2.4,32.7,134,0,0,3,1,11,,,0,1,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Aniline, p-fluoro-N-methyl-N-nitroso-",937-25-7,13641,N-(4-fluorophenyl)-N-methylnitrous amide,CN(C1=CC=C(C=C1)F)N=O,"InChI=1S/C7H7FN2O/c1-10(9-11)7-4-2-6(8)3-5-7/h2-5H,1H3",GFIXPWIVPHYTAJ-UHFFFAOYSA-N,C7H7FN2O,154.14,154.054241,1.8,32.7,134,0,0,4,1,11,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propiophenone, 2',5'-dihydroxy-",938-46-5,70312,"1-(2,5-dihydroxyphenyl)propan-1-one",CCC(=O)C1=C(C=CC(=C1)O)O,"InChI=1S/C9H10O3/c1-2-8(11)7-5-6(10)3-4-9(7)12/h3-5,10,12H,2H2,1H3",CFQYIIXIHXUPQT-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,2.2,57.5,167,0,2,3,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"p-Anisidine, N-methyl-N-nitroso-",940-11-4,13657,N-(4-methoxyphenyl)-N-methylnitrous amide,CN(C1=CC=C(C=C1)OC)N=O,"InChI=1S/C8H10N2O2/c1-10(9-11)7-3-5-8(12-2)6-4-7/h3-6H,1-2H3",KGZKEAKAKSKGAA-UHFFFAOYSA-N,C8H10N2O2,166.18,166.0742276,1.7,41.9,144,0,0,4,2,12,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, 2-(4-methylphenoxy)-",940-64-7,70329,2-(4-methylphenoxy)acetic acid,CC1=CC=C(C=C1)OCC(=O)O,"InChI=1S/C9H10O3/c1-7-2-4-8(5-3-7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)",SFTDDFBJWUWKMN-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.9,46.5,148,0,1,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzyl alcohol, alpha-((ethylamino)methyl)-m-hydroxy-, hydrochloride",943-17-9,164652,3-[2-(ethylamino)-1-hydroxyethyl]phenol;hydrochloride,CCNCC(C1=CC(=CC=C1)O)O.Cl,"InChI=1S/C10H15NO2.ClH/c1-2-11-7-10(13)8-4-3-5-9(12)6-8;/h3-6,10-13H,2,7H2,1H3;1H",KTNROWWHOBZQGK-UHFFFAOYSA-N,C10H16ClNO2,217.69,217.0869564,,52.5,141,0,4,3,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Propionic acid, 2-methyl-2-phenoxy-",943-45-3,70343,2-methyl-2-phenoxypropanoic acid,CC(C)(C(=O)O)OC1=CC=CC=C1,"InChI=1S/C10H12O3/c1-10(2,9(11)12)13-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,12)",ILPUOPPYSQEBNJ-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,1.9,46.5,181,0,1,3,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 2-chloro-4,6-dinitro-",946-31-6,13681,"2-chloro-4,6-dinitrophenol",C1=C(C=C(C(=C1[N+](=O)[O-])O)Cl)[N+](=O)[O-],"InChI=1S/C6H3ClN2O5/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14/h1-2,10H",PCBCIXWBAPIVDV-UHFFFAOYSA-N,C6H3ClN2O5,218.55,217.9730489,1.7,112,250,0,1,5,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Alanine, 3-(p-nitrophenyl)-, L-",949-99-5,13706,(2S)-2-amino-3-(4-nitrophenyl)propanoic acid,C1=CC(=CC=C1C[C@@H](C(=O)O)N)[N+](=O)[O-],"InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1",GTVVZTAFGPQSPC-QMMMGPOBSA-N,C9H10N2O4,210.19,210.0640568,-1.2,109,243,0,2,5,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Phosphorodithioic acid, S-(((p-chlorophenyl)thio)methyl) O,O-dimethyl ester",953-17-3,13721,(4-chlorophenyl)sulfanylmethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane,COP(=S)(OC)SCSC1=CC=C(C=C1)Cl,"InChI=1S/C9H12ClO2PS3/c1-11-13(14,12-2)16-7-15-9-5-3-8(10)4-6-9/h3-6H,7H2,1-2H3",OUCCVXVYGFBXSV-UHFFFAOYSA-N,C9H12ClO2PS3,314.8,313.9425578,4.8,101,239,0,0,5,6,16,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbonic acid, 2-sec-butyl-4,6-dinitrophenyl isopropyl ester",973-21-7,13783,"(2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate",CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)OC(C)C,"InChI=1S/C14H18N2O7/c1-5-9(4)11-6-10(15(18)19)7-12(16(20)21)13(11)23-14(17)22-8(2)3/h6-9H,5H2,1-4H3",HDWLUGYOLUHEMN-UHFFFAOYSA-N,C14H18N2O7,326.3,326.1114009,4.3,127,443,0,0,7,6,23,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 1-methyl-3-phenyl-",1007-36-9,13880,1-methyl-3-phenylurea,CNC(=O)NC1=CC=CC=C1,"InChI=1S/C8H10N2O/c1-9-8(11)10-7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,10,11)",SQBHGDSDVWCPHN-UHFFFAOYSA-N,C8H10N2O,150.18,150.0793129,1.1,41.1,130,0,2,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Hydrocinnamic acid, beta,beta-dimethyl-",1010-48-6,13890,3-methyl-3-phenylbutanoic acid,CC(C)(CC(=O)O)C1=CC=CC=C1,"InChI=1S/C11H14O2/c1-11(2,8-10(12)13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,13)",JTZZMXVIHNHASS-UHFFFAOYSA-N,C11H14O2,178.23,178.0993797,2.6,37.3,179,0,1,2,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cinnamic acid, alpha-cyano-",1011-92-3,643159,(E)-2-cyano-3-phenylprop-2-enoic acid,C1=CC=C(C=C1)/C=C(\C#N)/C(=O)O,"InChI=1S/C10H7NO2/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-6H,(H,12,13)/b9-6+",CDUQMGQIHYISOP-RMKNXTFCSA-N,C10H7NO2,173.17,173.0476785,2.2,61.1,266,0,1,3,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrazine, benzyl-, hydrochloride",1073-62-7,14084,benzylhydrazine;hydrochloride,C1=CC=C(C=C1)CNN.Cl,"InChI=1S/C7H10N2.ClH/c8-9-6-7-4-2-1-3-5-7;/h1-5,9H,6,8H2;1H",PRBLRLQZOKOQCQ-UHFFFAOYSA-N,C7H11ClN2,158.63,158.0610761,,38.1,67,0,3,2,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Glyoxal, phenyl-",1074-12-0,14090,2-oxo-2-phenylacetaldehyde,C1=CC=C(C=C1)C(=O)C=O,InChI=1S/C8H6O2/c9-6-8(10)7-4-2-1-3-5-7/h1-6H,OJUGVDODNPJEEC-UHFFFAOYSA-N,C8H6O2,134.13,134.0367794,1.7,34.1,134,0,0,2,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, p-hydroxy-, hexyl ester",1083-27-8,14127,hexyl 4-hydroxybenzoate,CCCCCCOC(=O)C1=CC=C(C=C1)O,"InChI=1S/C13H18O3/c1-2-3-4-5-10-16-13(15)11-6-8-12(14)9-7-11/h6-9,14H,2-5,10H2,1H3",ULULAZKOCFNOIM-UHFFFAOYSA-N,C13H18O3,222.28,222.1255944,4.3,46.5,195,0,1,3,7,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Gallic acid, butyl ester",1083-41-6,14128,"butyl 3,4,5-trihydroxybenzoate",CCCCOC(=O)C1=CC(=C(C(=C1)O)O)O,"InChI=1S/C11H14O5/c1-2-3-4-16-11(15)7-5-8(12)10(14)9(13)6-7/h5-6,12-14H,2-4H2,1H3",XOPOEBVTQYAOSV-UHFFFAOYSA-N,C11H14O5,226.23,226.0841235,2.4,87,218,0,3,5,5,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Glycine, N-(2,4-dinitrophenyl)-",1084-76-0,14135,"2-(2,4-dinitroanilino)acetic acid",C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCC(=O)O,"InChI=1S/C8H7N3O6/c12-8(13)4-9-6-2-1-5(10(14)15)3-7(6)11(16)17/h1-3,9H,4H2,(H,12,13)",RQPREKYEHBAOAR-UHFFFAOYSA-N,C8H7N3O6,241.16,241.033485,1.8,141,322,0,2,7,3,17,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"Sulfamide, N-((dichlorofluoromethyl)thio)-N',N'-dimethyl-N-phenyl-",1085-98-9,14145,N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline,CN(C)S(=O)(=O)N(C1=CC=CC=C1)SC(F)(Cl)Cl,"InChI=1S/C9H11Cl2FN2O2S2/c1-13(2)18(15,16)14(17-9(10,11)12)8-6-4-3-5-7-8/h3-7H,1-2H3",WURGXGVFSMYFCG-UHFFFAOYSA-N,C9H11Cl2FN2O2S2,333.2,331.9623035,3.6,74.3,367,0,0,6,5,18,,,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"1,2-Benzenediol, 4-(2-propenyl)-",1126-61-0,70775,"4-prop-2-enylbenzene-1,2-diol",C=CCC1=CC(=C(C=C1)O)O,"InChI=1S/C9H10O2/c1-2-3-7-4-5-8(10)9(11)6-7/h2,4-6,10-11H,1,3H2",FHEHIXJLCWUPCZ-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,0.8,40.5,134,0,2,2,2,11,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Phenol, o-(3-methyl-2-butenyl)-",1128-92-3,70787,2-(3-methylbut-2-enyl)phenol,CC(=CCC1=CC=CC=C1O)C,"InChI=1S/C11H14O/c1-9(2)7-8-10-5-3-4-6-11(10)12/h3-7,12H,8H2,1-2H3",GLOBOHBQKQLVIS-UHFFFAOYSA-N,C11H14O,162.23,162.1044651,3.6,20.2,156,0,1,1,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"Benzenesulfonamide, 4-methoxy-",1129-26-6,70789,4-methoxybenzenesulfonamide,COC1=CC=C(C=C1)S(=O)(=O)N,"InChI=1S/C7H9NO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)",MSFQEZBRFPAFEX-UHFFFAOYSA-N,C7H9NO3S,187.22,187.0303143,0.5,77.8,224,0,1,4,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzaldehyde, p-nitro-, oxime",1129-37-9,5374046,(NE)-N-[(4-nitrophenyl)methylidene]hydroxylamine,C1=CC(=CC=C1/C=N/O)[N+](=O)[O-],"InChI=1S/C7H6N2O3/c10-8-5-6-1-3-7(4-2-6)9(11)12/h1-5,10H/b8-5+",WTLPAVBACRIHHC-VMPITWQZSA-N,C7H6N2O3,166.13,166.0378421,2,78.4,180,0,1,4,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrocinnamic acid, beta-(aminomethyl)-p-chloro-",1134-47-0,2284,4-amino-3-(4-chlorophenyl)butanoic acid,C1=CC(=CC=C1C(CC(=O)O)CN)Cl,"InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)",KPYSYYIEGFHWSV-UHFFFAOYSA-N,C10H12ClNO2,213.66,213.0556563,-1,63.3,191,0,2,3,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,1,0,1,1,0,1
"Mercury, bromophenyl-",1192-89-8,14509,bromo(phenyl)mercury,C1=CC=C(C=C1)[Hg]Br,InChI=1S/C6H5.BrH.Hg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q;;+1/p-1,PUPHNPSAIJQNEE-UHFFFAOYSA-M,C6H5BrHg,357.6,357.92811,,0,59,0,0,0,0,8,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"m-Cresol, 6-methoxy-",1195-09-1,14519,2-methoxy-5-methylphenol,CC1=CC(=C(C=C1)OC)O,"InChI=1S/C8H10O2/c1-6-3-4-8(10-2)7(9)5-6/h3-5,9H,1-2H3",IFNDEOYXGHGERA-UHFFFAOYSA-N,C8H10O2,138.16,138.0680796,2.1,29.5,103,0,1,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propenoic acid, 3-(4-bromophenyl)-",1200-07-3,737158,(E)-3-(4-bromophenyl)prop-2-enoic acid,C1=CC(=CC=C1/C=C/C(=O)O)Br,"InChI=1S/C9H7BrO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+",CPDDDTNAMBSPRN-ZZXKWVIFSA-N,C9H7BrO2,227.05,225.96294,2.5,37.3,181,0,1,2,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, p-(3-methyl-2-butenyl)-",1200-09-5,14543,4-(3-methylbut-2-enyl)phenol,CC(=CCC1=CC=C(C=C1)O)C,"InChI=1S/C11H14O/c1-9(2)3-4-10-5-7-11(12)8-6-10/h3,5-8,12H,4H2,1-2H3",CBUZIDRVPSPPOE-UHFFFAOYSA-N,C11H14O,162.23,162.1044651,3.7,20.2,148,0,1,1,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-Propenoic acid, 3-(3,4-dichlorophenyl)-",1202-39-7,688027,"(E)-3-(3,4-dichlorophenyl)prop-2-enoic acid",C1=CC(=C(C=C1/C=C/C(=O)O)Cl)Cl,"InChI=1S/C9H6Cl2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+",RRLUFPHCTSFKNR-DUXPYHPUSA-N,C9H6Cl2O2,217.05,215.9744848,3.1,37.3,216,0,1,2,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, p-(dimethylsulfamoyl)-",1206-37-7,14572,4-(dimethylsulfamoyl)benzoic acid,CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)O,"InChI=1S/C9H11NO4S/c1-10(2)15(13,14)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12)",DGVPSAQTQGLBAM-UHFFFAOYSA-N,C9H11NO4S,229.26,229.040879,0.6,83.1,323,0,1,5,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, p-(diethylsulfamoyl)-",1213-06-5,14604,4-(diethylsulfamoyl)benzoic acid,CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O,"InChI=1S/C11H15NO4S/c1-3-12(4-2)17(15,16)10-7-5-9(6-8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14)",UACOQEQOBAQRDQ-UHFFFAOYSA-N,C11H15NO4S,257.31,257.0721791,2.2,83.1,348,0,1,5,5,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneethanol, 4-chloro-alpha-(2-(dimethylamino)-1-methylethyl)-alpha-methyl-,hydrochloride",1215-83-4,92876,"1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol;hydrochloride",CC(CN(C)C)C(C)(CC1=CC=C(C=C1)Cl)O.Cl,"InChI=1S/C14H22ClNO.ClH/c1-11(10-16(3)4)14(2,17)9-12-5-7-13(15)8-6-12;/h5-8,11,17H,9-10H2,1-4H3;1H",ZMROYCGIWPNZNJ-UHFFFAOYSA-N,C14H23Cl2NO,292.2,291.1156697,,23.5,226,0,2,2,5,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, p-hydroxy-, octyl ester",1219-38-1,14642,octyl 4-hydroxybenzoate,CCCCCCCCOC(=O)C1=CC=C(C=C1)O,"InChI=1S/C15H22O3/c1-2-3-4-5-6-7-12-18-15(17)13-8-10-14(16)11-9-13/h8-11,16H,2-7,12H2,1H3",RIKCMEDSBFQFAL-UHFFFAOYSA-N,C15H22O3,250.33,250.1568946,5.4,46.5,220,0,1,3,9,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Acetamide, N-(2-(diethylamino)ethyl)-2-(p-methoxyphenoxy)-",1227-61-8,4045,N-[2-(diethylamino)ethyl]-2-(4-methoxyphenoxy)acetamide,CCN(CC)CCNC(=O)COC1=CC=C(C=C1)OC,"InChI=1S/C15H24N2O3/c1-4-17(5-2)11-10-16-15(18)12-20-14-8-6-13(19-3)7-9-14/h6-9H,4-5,10-12H2,1-3H3,(H,16,18)",HUNIPYLVUPMFCZ-UHFFFAOYSA-N,C15H24N2O3,280.36,280.1786926,2,50.8,262,0,1,4,9,20,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"m-Cresol, 6-pentyl-",1300-94-3,14759,5-methyl-2-pentylphenol,CCCCCC1=C(C=C(C=C1)C)O,"InChI=1S/C12H18O/c1-3-4-5-6-11-8-7-10(2)9-12(11)13/h7-9,13H,3-6H2,1-2H3",CKGWFZQGEQJZIL-UHFFFAOYSA-N,C12H18O,178.27,178.1357652,4.4,20.2,133,0,1,1,4,13,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0
"Ethanol, ((alpha-methylbenzyl)amino)-",1331-41-5,14909,2-(1-phenylethylamino)ethanol,CC(C1=CC=CC=C1)NCCO,"InChI=1S/C10H15NO/c1-9(11-7-8-12)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3",GXIWMXAAPLZOBY-UHFFFAOYSA-N,C10H15NO,165.23,165.1153641,1,32.3,110,0,2,2,4,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propenenitrile, 3-(phenylsulfonyl)-",1424-51-7,1711930,(E)-3-(benzenesulfonyl)prop-2-enenitrile,C1=CC=C(C=C1)S(=O)(=O)/C=C/C#N,"InChI=1S/C9H7NO2S/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h1-6,8H/b8-4+",VYULCLGNLSTLFX-XBXARRHUSA-N,C9H7NO2S,193.22,193.0197496,1,66.3,322,0,0,3,2,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 4-chloro-3-((methylamino)sulfonyl)-",1429-44-3,851354,4-chloro-3-(methylsulfamoyl)benzoic acid,CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl,"InChI=1S/C8H8ClNO4S/c1-10-15(13,14)7-4-5(8(11)12)2-3-6(7)9/h2-4,10H,1H3,(H,11,12)",VFIQUWGBANQKJT-UHFFFAOYSA-N,C8H8ClNO4S,249.67,248.9862566,1,91.9,337,0,2,5,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, pentachloro-, acetate",1441-02-7,15041,"(2,3,4,5,6-pentachlorophenyl) acetate",CC(=O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,InChI=1S/C8H3Cl5O2/c1-2(14)15-8-6(12)4(10)3(9)5(11)7(8)13/h1H3,RRYATXLRCBOQTJ-UHFFFAOYSA-N,C8H3Cl5O2,308.4,307.854618,4.8,26.3,233,0,0,2,2,15,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphoramidic acid, phenyl-, diethyl ester",1445-38-1,15049,N-diethoxyphosphorylaniline,CCOP(=O)(NC1=CC=CC=C1)OCC,"InChI=1S/C10H16NO3P/c1-3-13-15(12,14-4-2)11-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,11,12)",GESBKELMKMNZLZ-UHFFFAOYSA-N,C10H16NO3P,229.21,229.0867804,2.1,47.6,207,0,1,4,6,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenethylamine, p-bromo-alpha,alpha-dimethyl-, hydrochloride",1463-08-7,73838,1-(4-bromophenyl)-2-methylpropan-2-amine;hydrochloride,CC(C)(CC1=CC=C(C=C1)Br)N.Cl,"InChI=1S/C10H14BrN.ClH/c1-10(2,12)7-8-3-5-9(11)6-4-8;/h3-6H,7,12H2,1-2H3;1H",SYMDPXUKBNWPQG-UHFFFAOYSA-N,C10H15BrClN,264.59,263.00764,,26,137,0,2,1,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1-(o-ethoxyphenyl)-2-thio-",1516-38-7,2758773,(2-ethoxyphenyl)thiourea,CCOC1=CC=CC=C1NC(=S)N,"InChI=1S/C9H12N2OS/c1-2-12-8-6-4-3-5-7(8)11-9(10)13/h3-6H,2H2,1H3,(H3,10,11,13)",VUWYZMBGSSVKLN-UHFFFAOYSA-N,C9H12N2OS,196.27,196.0670342,1.5,79.4,175,0,2,2,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1,1'-p-phenylenebis(2-thio-",1519-70-6,684351,[4-(carbamothioylamino)phenyl]thiourea,C1=CC(=CC=C1NC(=S)N)NC(=S)N,"InChI=1S/C8H10N4S2/c9-7(13)11-5-1-2-6(4-3-5)12-8(10)14/h1-4H,(H3,9,11,13)(H3,10,12,14)",AMNPXXIGUOKIPP-UHFFFAOYSA-N,C8H10N4S2,226.3,226.0346887,0.3,140,199,0,4,2,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 1-(p-hydroxyphenyl)-2-thio-",1520-27-0,2759331,(4-hydroxyphenyl)thiourea,C1=CC(=CC=C1NC(=S)N)O,"InChI=1S/C7H8N2OS/c8-7(11)9-5-1-3-6(10)4-2-5/h1-4,10H,(H3,8,9,11)",QICKOOCQSYZYQB-UHFFFAOYSA-N,C7H8N2OS,168.22,168.0357341,0.4,90.4,143,0,3,2,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, (p-methoxyphenyl)-",1566-42-3,74066,(4-methoxyphenyl)urea,COC1=CC=C(C=C1)NC(=O)N,"InChI=1S/C8H10N2O2/c1-12-7-4-2-6(3-5-7)10-8(9)11/h2-5H,1H3,(H3,9,10,11)",PGUKYDVWVXRPKK-UHFFFAOYSA-N,C8H10N2O2,166.18,166.0742276,0.5,64.4,153,0,2,2,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Thiocyanic acid, 2,4-dinitrophenyl ester",1594-56-5,15325,"(2,4-dinitrophenyl) thiocyanate",C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC#N,InChI=1S/C7H3N3O4S/c8-4-15-7-2-1-5(9(11)12)3-6(7)10(13)14/h1-3H,XQDQRCRASHAZBA-UHFFFAOYSA-N,C7H3N3O4S,225.18,224.9844268,2,141,314,0,0,6,1,15,,,0,0,0,0,0,0,0,1,0,1,1,0,0,0,0,0,1,0,0,1
"Benzaldehyde, 3,5-di-tert-butyl-4-hydroxy-",1620-98-0,73219,"3,5-ditert-butyl-4-hydroxybenzaldehyde",CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=O,"InChI=1S/C15H22O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-9,17H,1-6H3",DOZRDZLFLOODMB-UHFFFAOYSA-N,C15H22O2,234.33,234.1619799,4.4,37.3,246,0,1,2,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, alpha-methyl-p-trifluoromethyl-",1626-74-0,121502,1-[4-(trifluoromethyl)phenyl]propan-2-amine,CC(CC1=CC=C(C=C1)C(F)(F)F)N,"InChI=1S/C10H12F3N/c1-7(14)6-8-2-4-9(5-3-8)10(11,12)13/h2-5,7H,6,14H2,1H3",SUUROQOAYQTBFV-UHFFFAOYSA-N,C10H12F3N,203.2,203.0921839,2.6,26,171,0,1,4,2,14,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, (3-methylphenoxy)-",1643-15-8,74235,2-(3-methylphenoxy)acetic acid,CC1=CC(=CC=C1)OCC(=O)O,"InChI=1S/C9H10O3/c1-7-3-2-4-8(5-7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)",VZECTCSEONQIPP-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.8,46.5,156,0,1,3,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, 2-(4-(1-methylethyl)phenoxy)-",1643-16-9,137131,2-(4-propan-2-ylphenoxy)acetic acid,CC(C)C1=CC=C(C=C1)OCC(=O)O,"InChI=1S/C11H14O3/c1-8(2)9-3-5-10(6-4-9)14-7-11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)",FPVCSFOUVDLTDG-UHFFFAOYSA-N,C11H14O3,194.23,194.0942943,2.7,46.5,181,0,1,3,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzonitrile, 3,5-diiodo-4-hydroxy-",1689-83-4,15530,"4-hydroxy-3,5-diiodobenzonitrile",C1=C(C=C(C(=C1I)O)I)C#N,"InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H",NRXQIUSYPAHGNM-UHFFFAOYSA-N,C7H3I2NO,370.91,370.83041,2,44,176,0,1,2,0,11,,Sublimes at circa 140 °C/0.1 mm Hg,1,1,1,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,1,0
"Benzonitrile, 4-hydroxy-3-iodo-5-nitro-",1689-89-0,15532,4-hydroxy-3-iodo-5-nitrobenzonitrile,C1=C(C=C(C(=C1[N+](=O)[O-])O)I)C#N,"InChI=1S/C7H3IN2O3/c8-5-1-4(3-9)2-6(7(5)11)10(12)13/h1-2,11H",SGKGVABHDAQAJO-UHFFFAOYSA-N,C7H3IN2O3,290.01,289.91884,2.3,89.8,256,0,1,4,0,13,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Benzenesulfonamide, 4-amino-N,N-diethyl-",1709-39-3,95067,"4-amino-N,N-diethylbenzenesulfonamide",CCN(CC)S(=O)(=O)C1=CC=C(C=C1)N,"InChI=1S/C10H16N2O2S/c1-3-12(4-2)15(13,14)10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3",LTFVELCIFWEGGA-UHFFFAOYSA-N,C10H16N2O2S,228.31,228.0932489,1.1,71.8,272,0,1,4,4,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 3-acetamido-5-amino-2,4,6-triiodo-",1713-07-1,15576,"3-acetamido-5-amino-2,4,6-triiodobenzoic acid",CC(=O)NC1=C(C(=C(C(=C1I)N)I)C(=O)O)I,"InChI=1S/C9H7I3N2O3/c1-2(15)14-8-5(11)3(9(16)17)4(10)7(13)6(8)12/h13H2,1H3,(H,14,15)(H,16,17)",XCNHOBHCZBIGJP-UHFFFAOYSA-N,C9H7I3N2O3,571.88,571.7591,1.9,92.4,329,0,3,4,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, (2,4-dichlorophenoxy)-, isobutyl ester",1713-15-1,15580,"2-methylpropyl 2-(2,4-dichlorophenoxy)acetate",CC(C)COC(=O)COC1=C(C=C(C=C1)Cl)Cl,"InChI=1S/C12H14Cl2O3/c1-8(2)6-17-12(15)7-16-11-4-3-9(13)5-10(11)14/h3-5,8H,6-7H2,1-2H3",GPSGZZSRFJXXBA-UHFFFAOYSA-N,C12H14Cl2O3,277.14,276.0319997,4.5,35.5,246,0,0,3,6,17,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Benzenebutanoic acid, sodium salt",1716-12-7,5258,sodium 4-phenylbutanoate,C1=CC=C(C=C1)CCCC(=O)[O-].[Na+],"InChI=1S/C10H12O2.Na/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8H2,(H,11,12);/q;+1/p-1",VPZRWNZGLKXFOE-UHFFFAOYSA-M,C10H11NaO2,186.18,186.0656739,,40.1,142,0,0,2,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Sulfuric acid, monophenyl ester, potassium salt",1733-88-6,23678854,potassium phenyl sulfate,C1=CC=C(C=C1)OS(=O)(=O)[O-].[K+],"InChI=1S/C6H6O4S.K/c7-11(8,9)10-6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1/p-1",NOUFXYHWAWIDNT-UHFFFAOYSA-M,C6H5KO4S,212.27,211.9545613,,74.8,202,0,0,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-Benzenedicarboxamide",1740-57-4,74445,"benzene-1,3-dicarboxamide",C1=CC(=CC(=C1)C(=O)N)C(=O)N,"InChI=1S/C8H8N2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H,(H2,9,11)(H2,10,12)",QZUPTXGVPYNUIT-UHFFFAOYSA-N,C8H8N2O2,164.16,164.0585775,-0.2,86.2,183,0,2,2,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonic acid, phenyl-, diethyl ester",1754-49-0,15642,diethoxyphosphorylbenzene,CCOP(=O)(C1=CC=CC=C1)OCC,"InChI=1S/C10H15O3P/c1-3-12-14(11,13-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3",VZEGPPPCKHRYGO-UHFFFAOYSA-N,C10H15O3P,214.2,214.0758813,1.8,35.5,190,0,0,3,5,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphorothioic acid, O-(2-chloro-1-(2,5-dichlorophenyl)vinyl) O,O-diethyl ester",1757-18-2,15649,"[2-chloro-1-(2,5-dichlorophenyl)ethenoxy]-diethoxy-sulfanylidene-lambda5-phosphane",CCOP(=S)(OCC)OC(=CCl)C1=C(C=CC(=C1)Cl)Cl,"InChI=1S/C12H14Cl3O3PS/c1-3-16-19(20,17-4-2)18-12(8-13)10-7-9(14)5-6-11(10)15/h5-8H,3-4H2,1-2H3",QCKIOHMRUZJYQZ-UHFFFAOYSA-N,C12H14Cl3O3PS,375.6,373.946686,4.8,59.8,371,0,0,4,7,20,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethylamine, 2-phenoxy-",1758-46-9,15651,2-phenoxyethanamine,C1=CC=C(C=C1)OCCN,"InChI=1S/C8H11NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7,9H2",IMLAIXAZMVDRGA-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,0.9,35.3,79,0,1,2,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzyl alcohol, 2,4-dichloro-",1777-82-8,15684,"(2,4-dichlorophenyl)methanol",C1=CC(=C(C=C1Cl)Cl)CO,"InChI=1S/C7H6Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2",DBHODFSFBXJZNY-UHFFFAOYSA-N,C7H6Cl2O,177.02,175.9795702,2.5,20.2,108,0,1,1,1,10,,,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Salicylamide, N,N-dimethyl-",1778-08-1,74500,"2-hydroxy-N,N-dimethylbenzamide",CN(C)C(=O)C1=CC=CC=C1O,"InChI=1S/C9H11NO2/c1-10(2)9(12)7-5-3-4-6-8(7)11/h3-6,11H,1-2H3",UBAYZMJYXBTDBB-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,0.4,40.5,168,0,1,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Formamidine, N,N-dimethyl-N'-phenyl-",1783-25-1,15692,"N,N-dimethyl-N'-phenylmethanimidamide",CN(C)C=NC1=CC=CC=C1,"InChI=1S/C9H12N2/c1-11(2)8-10-9-6-4-3-5-7-9/h3-8H,1-2H3",SRPCLECGIYMIMN-UHFFFAOYSA-N,C9H12N2,148.2,148.1000484,1.6,15.6,124,0,0,1,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"o-Propionotoluidide, 2-(propylamino)-, monohydrochloride",1786-81-8,92163,N-(2-methylphenyl)-2-(propylamino)propanamide;hydrochloride,CCCNC(C)C(=O)NC1=CC=CC=C1C.Cl,"InChI=1S/C13H20N2O.ClH/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2;/h5-8,11,14H,4,9H2,1-3H3,(H,15,16);1H",BJPJNTKRKALCPP-UHFFFAOYSA-N,C13H21ClN2O,256.77,256.134241,,41.1,218,0,3,2,5,17,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Acetic acid, 2-(4-(1,1-dimethylethyl)phenoxy)-",1798-04-5,15718,2-(4-tert-butylphenoxy)acetic acid,CC(C)(C)C1=CC=C(C=C1)OCC(=O)O,"InChI=1S/C12H16O3/c1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)",FBIGAJNVRFKBJL-UHFFFAOYSA-N,C12H16O3,208.25,208.1099444,3.2,46.5,209,0,1,3,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, (m-methoxyphenyl)-",1798-09-0,15719,2-(3-methoxyphenyl)acetic acid,COC1=CC=CC(=C1)CC(=O)O,"InChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)",LEGPZHPSIPPYIO-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.5,46.5,156,0,1,3,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Butyn-2-one, 4-phenyl-",1817-57-8,74555,4-phenylbut-3-yn-2-one,CC(=O)C#CC1=CC=CC=C1,"InChI=1S/C10H8O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,1H3",UPEUQDJSUFHFQP-UHFFFAOYSA-N,C10H8O,144.17,144.0575149,2.2,17.1,197,0,0,1,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Aniline, 2-propyl-",1821-39-2,15759,2-propylaniline,CCCC1=CC=CC=C1N,"InChI=1S/C9H13N/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5,10H2,1H3",WKURVXXDGMYSDP-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,2.3,26,90,0,1,1,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Propanone, 1-(3,4-dimethoxyphenyl)-",1835-04-7,15781,"1-(3,4-dimethoxyphenyl)propan-1-one",CCC(=O)C1=CC(=C(C=C1)OC)OC,"InChI=1S/C11H14O3/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h5-7H,4H2,1-3H3",SBMSBQOMJGZBRY-UHFFFAOYSA-N,C11H14O3,194.23,194.0942943,2.2,35.5,191,0,0,3,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, N-ethyl-alpha-methyl-, hydrochloride",1858-47-5,197941,N-ethyl-1-phenylpropan-2-amine;hydrochloride,CCNC(C)CC1=CC=CC=C1.Cl,"InChI=1S/C11H17N.ClH/c1-3-12-10(2)9-11-7-5-4-6-8-11;/h4-8,10,12H,3,9H2,1-2H3;1H",HFBTZBOJTFIRAS-UHFFFAOYSA-N,C11H18ClN,199.72,199.1127773,,12,106,0,2,1,4,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Salicylamide, N-methyl-",1862-88-0,74624,2-hydroxy-N-methylbenzamide,CNC(=O)C1=CC=CC=C1O,"InChI=1S/C8H9NO2/c1-9-8(11)6-4-2-3-5-7(6)10/h2-5,10H,1H3,(H,9,11)",BCKXMQIYWWTZDP-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,1.3,49.3,147,0,2,2,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Malononitrile, (p-chlorobenzylidene)-",1867-38-5,15847,2-[(4-chlorophenyl)methylidene]propanedinitrile,C1=CC(=CC=C1C=C(C#N)C#N)Cl,InChI=1S/C10H5ClN2/c11-10-3-1-8(2-4-10)5-9(6-12)7-13/h1-5H,FQSXBLOWLYPURG-UHFFFAOYSA-N,C10H5ClN2,188.61,188.0141259,2.8,47.6,275,0,0,2,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, 2-(4-acetylphenoxy)-",1878-81-5,74655,2-(4-acetylphenoxy)acetic acid,CC(=O)C1=CC=C(C=C1)OCC(=O)O,"InChI=1S/C10H10O4/c1-7(11)8-2-4-9(5-3-8)14-6-10(12)13/h2-5H,6H2,1H3,(H,12,13)",KMXZEXUYXUMHEQ-UHFFFAOYSA-N,C10H10O4,194.18,194.0579088,0.9,63.6,216,0,1,4,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, 2-(4-iodophenoxy)-",1878-94-0,74658,2-(4-iodophenoxy)acetic acid,C1=CC(=CC=C1OCC(=O)O)I,"InChI=1S/C8H7IO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)",RKORKXFKXYYHAQ-UHFFFAOYSA-N,C8H7IO3,278.04,277.94399,2.7,46.5,152,0,1,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 1-chloro-4-isocyano-",1885-81-0,74670,1-chloro-4-isocyanobenzene,[C-]#[N+]C1=CC=C(C=C1)Cl,InChI=1S/C7H4ClN/c1-9-7-4-2-6(8)3-5-7/h2-5H,QPPCIPBFKQOIMT-UHFFFAOYSA-N,C7H4ClN,137.56,137.0032268,2.6,4.4,127,0,0,1,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Buten-2-one, 4-phenyl-, (E)-",1896-62-4,637759,(E)-4-phenylbut-3-en-2-one,CC(=O)/C=C/C1=CC=CC=C1,"InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+",BWHOZHOGCMHOBV-BQYQJAHWSA-N,C10H10O,146.19,146.0731649,2.1,17.1,152,0,0,1,2,11,,262.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"1,4-Benzenedicarbonitrile, 2,5-difluoro-",1897-49-0,121193,"2,5-difluorobenzene-1,4-dicarbonitrile",C1=C(C(=CC(=C1F)C#N)F)C#N,InChI=1S/C8H2F2N2/c9-7-1-5(3-11)8(10)2-6(7)4-12/h1-2H,XYFQWMPHYSQURI-UHFFFAOYSA-N,C8H2F2N2,164.11,164.0186044,1.6,47.6,231,0,0,4,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-Benzenedicarbonitrile, 2-fluoro-",1897-53-6,121194,"2-fluorobenzene-1,4-dicarbonitrile",C1=CC(=C(C=C1C#N)F)C#N,InChI=1S/C8H3FN2/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3H,DULBJBXBNLVFBI-UHFFFAOYSA-N,C8H3FN2,146.12,146.0280263,1.5,47.6,231,0,0,3,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbanilic acid, 3,4-dichloro-, methyl ester",1918-18-9,15969,"methyl N-(3,4-dichlorophenyl)carbamate",COC(=O)NC1=CC(=C(C=C1)Cl)Cl,"InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12)",WOZQBERUBLYCEG-UHFFFAOYSA-N,C8H7Cl2NO2,220.05,218.9853839,3.5,38.3,189,0,1,2,2,13,,BP: 110-113 °C /Technical/,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propenoic acid, 3-(4-methoxyphenyl)-, ethyl ester",1929-30-2,5281783,ethyl (E)-3-(4-methoxyphenyl)prop-2-enoate,CCOC(=O)/C=C/C1=CC=C(C=C1)OC,"InChI=1S/C12H14O3/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-9H,3H2,1-2H3/b9-6+",DHNGCHLFKUPGPX-RMKNXTFCSA-N,C12H14O3,206.24,206.0942943,3,35.5,215,0,0,3,5,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzonitrile, 4-chloro-3,5-dinitro-",1930-72-9,16008,"4-chloro-3,5-dinitrobenzonitrile",C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C#N,InChI=1S/C7H2ClN3O4/c8-7-5(10(12)13)1-4(3-9)2-6(7)11(14)15/h1-2H,SCGDEDHSPCXGEC-UHFFFAOYSA-N,C7H2ClN3O4,227.56,226.9733832,2.7,115,303,0,0,5,0,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbamic acid, methyl-, phenyl ester",1943-79-9,16034,phenyl N-methylcarbamate,CNC(=O)OC1=CC=CC=C1,"InChI=1S/C8H9NO2/c1-9-8(10)11-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)",SCWKRWCUMCMVPW-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,1.2,38.3,130,0,1,2,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butyric acid, 2-methyl-4-phenyl-",1949-41-3,16046,2-methyl-4-phenylbutanoic acid,CC(CCC1=CC=CC=C1)C(=O)O,"InChI=1S/C11H14O2/c1-9(11(12)13)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)",OCKZHEXBLOOGOC-UHFFFAOYSA-N,C11H14O2,178.23,178.0993797,2.5,37.3,159,0,1,2,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 3-acetamido-2,4,6-triiodo-5-(N-methylacetamido)-",1949-45-7,2528,"3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid",CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)N(C)C(=O)C)I,"InChI=1S/C12H11I3N2O4/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19/h1-3H3,(H,16,18)(H,20,21)",GGGDNPWHMNJRFN-UHFFFAOYSA-N,C12H11I3N2O4,627.94,627.7853,1.9,86.7,448,0,2,4,3,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 3-amino-2,5-dichloro-, monosodium salt",1954-81-0,23669615,"sodium 3-amino-2,5-dichlorobenzoate",C1=C(C=C(C(=C1C(=O)[O-])Cl)N)Cl.[Na+],"InChI=1S/C7H5Cl2NO2.Na/c8-3-1-4(7(11)12)6(9)5(10)2-3;/h1-2H,10H2,(H,11,12);/q;+1/p-1",WMWBBXKLYSGKDY-UHFFFAOYSA-M,C7H4Cl2NNaO2,228,226.951678,,66.2,193,0,1,3,1,13,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbanilic acid, m-chloro-, 1-methyl-2-propynyl ester",1967-16-4,16073,but-3-yn-2-yl N-(3-chlorophenyl)carbamate,CC(C#C)OC(=O)NC1=CC(=CC=C1)Cl,"InChI=1S/C11H10ClNO2/c1-3-8(2)15-11(14)13-10-6-4-5-9(12)7-10/h1,4-8H,2H3,(H,13,14)",ULBXWWGWDPVHAO-UHFFFAOYSA-N,C11H10ClNO2,223.65,223.0400063,3.1,38.3,271,0,1,2,3,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 4-isocyano-, ethyl ester",1983-99-9,121252,ethyl 4-isocyanobenzoate,CCOC(=O)C1=CC=C(C=C1)[N+]#[C-],"InChI=1S/C10H9NO2/c1-3-13-10(12)8-4-6-9(11-2)7-5-8/h4-7H,3H2,1H3",AUCNDAZBLKMEEM-UHFFFAOYSA-N,C10H9NO2,175.18,175.0633285,2.5,30.7,220,0,0,3,3,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzene, 1-isocyano-4-nitro-",1984-23-2,74802,1-isocyano-4-nitrobenzene,[C-]#[N+]C1=CC=C(C=C1)[N+](=O)[O-],InChI=1S/C7H4N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5H,WQFPYEBGLBCQOY-UHFFFAOYSA-N,C7H4N2O2,148.12,148.0272774,1.2,50.2,192,0,0,3,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzenesulfonamide, p-bromo-N-isopropyl-",1984-27-6,121253,4-bromo-N-propan-2-ylbenzenesulfonamide,CC(C)NS(=O)(=O)C1=CC=C(C=C1)Br,"InChI=1S/C9H12BrNO2S/c1-7(2)11-14(12,13)9-5-3-8(10)4-6-9/h3-7,11H,1-2H3",WQHMEBIEXOFZHD-UHFFFAOYSA-N,C9H12BrNO2S,278.17,276.97721,2.4,54.6,263,0,1,3,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Guanidine, phenyl-",2002-16-6,16157,2-phenylguanidine,C1=CC=C(C=C1)N=C(N)N,"InChI=1S/C7H9N3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H4,8,9,10)",QRJZGVVKGFIGLI-UHFFFAOYSA-N,C7H9N3,135.17,135.0796473,0.5,64.4,121,0,2,1,1,10,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Hydrazine, p-methoxybenzyl-, hydrochloride",2011-48-5,45789374,(4-methoxyphenyl)methylhydrazine;hydrochloride,COC1=CC=C(C=C1)CNN.Cl,"InChI=1S/C8H12N2O.ClH/c1-11-8-4-2-7(3-5-8)6-10-9;/h2-5,10H,6,9H2,1H3;1H",NWIAETGHZKYGAD-UHFFFAOYSA-N,C8H13ClN2O,188.65,188.0716407,,47.3,100,0,3,3,3,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 2,4-diiodo-",2012-29-5,72858,"2,4-diiodophenol",C1=CC(=C(C=C1I)I)O,"InChI=1S/C6H4I2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H",DAHRRUMUNVQEOB-UHFFFAOYSA-N,C6H4I2O,345.9,345.83516,2.9,20.2,97,0,1,1,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbamic acid, methyl-, 4-dimethylamino-m-tolyl ester",2032-59-9,16247,[4-(dimethylamino)-3-methylphenyl] N-methylcarbamate,CC1=C(C=CC(=C1)OC(=O)NC)N(C)C,"InChI=1S/C11H16N2O2/c1-8-7-9(15-11(14)12-2)5-6-10(8)13(3)4/h5-7H,1-4H3,(H,12,14)",IMIDOCRTMDIQIJ-UHFFFAOYSA-N,C11H16N2O2,208.26,208.1211778,1.9,41.6,219,0,1,3,3,15,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propylamine, 3-phenyl-",2038-57-5,16259,3-phenylpropan-1-amine,C1=CC=C(C=C1)CCCN,"InChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2",LYUQWQRTDLVQGA-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,1.8,26,74,0,1,1,3,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Phenethylamine, m-methoxy-",2039-67-0,74866,2-(3-methoxyphenyl)ethanamine,COC1=CC=CC(=C1)CCN,"InChI=1S/C9H13NO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5-6,10H2,1H3",WJBMRZAHTUFBGE-UHFFFAOYSA-N,C9H13NO,151.21,151.099714,1.6,35.3,106,0,1,2,3,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Phenethylamine, N,alpha-dimethyl-N-2-propynyl-, hydrochloride",2079-54-1,92913,N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine;hydrochloride,CC(CC1=CC=CC=C1)N(C)CC#C.Cl,"InChI=1S/C13H17N.ClH/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13;/h1,5-9,12H,10-11H2,2-3H3;1H",IYETZZCWLLUHIJ-UHFFFAOYSA-N,C13H18ClN,223.74,223.1127773,,3.2,195,0,1,1,4,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, 2-(3-methoxyphenoxy)-",2088-24-6,74969,2-(3-methoxyphenoxy)acetic acid,COC1=CC(=CC=C1)OCC(=O)O,"InChI=1S/C9H10O4/c1-12-7-3-2-4-8(5-7)13-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)",AHDPQRIYMMZJTF-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,1.4,55.8,169,0,1,4,4,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Biguanide, 1-(m-chlorophenyl)-, monohydrochloride",5/5/13,2730228,2-(3-chlorophenyl)-1-(diaminomethylidene)guanidine;hydrochloride,C1=CC(=CC(=C1)Cl)N=C(N)N=C(N)N.Cl,"InChI=1S/C8H10ClN5.ClH/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11;/h1-4H,(H6,10,11,12,13,14);1H",FOWAIJYHRWFTHR-UHFFFAOYSA-N,C8H11Cl2N5,248.11,247.0391508,,103,246,0,4,1,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 4-amino-3,5-diiodo-",2122-61-4,16460,"4-amino-3,5-diiodobenzoic acid",C1=C(C=C(C(=C1I)N)I)C(=O)O,"InChI=1S/C7H5I2NO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,10H2,(H,11,12)",WXTVPMWCUMEVSZ-UHFFFAOYSA-N,C7H5I2NO2,388.93,388.84097,2.1,63.3,176,0,2,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 4-amino-3-iodo-",2122-63-6,16461,4-amino-3-iodobenzoic acid,C1=CC(=C(C=C1C(=O)O)I)N,"InChI=1S/C7H6INO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,9H2,(H,10,11)",FPLDDZRJTOXFCB-UHFFFAOYSA-N,C7H6INO2,263.03,262.94433,1.4,63.3,163,0,2,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isothiocyanic acid, p-chlorophenyl ester",2131-55-7,16480,1-chloro-4-isothiocyanatobenzene,C1=CC(=CC=C1N=C=S)Cl,InChI=1S/C7H4ClNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H,MZZVFXMTZTVUFO-UHFFFAOYSA-N,C7H4ClNS,169.63,168.975298,3.9,44.5,146,0,0,2,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"Isothiocyanic acid, m-bromophenyl ester",2131-59-1,16481,1-bromo-3-isothiocyanatobenzene,C1=CC(=CC(=C1)Br)N=C=S,InChI=1S/C7H4BrNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H,ZMGMGHNOACSMQN-UHFFFAOYSA-N,C7H4BrNS,214.08,212.92478,4.1,44.5,154,0,0,2,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"Isothiocyanic acid, p-dimethylaminophenyl ester",2131-64-8,75047,"4-isothiocyanato-N,N-dimethylaniline",CN(C)C1=CC=C(C=C1)N=C=S,"InChI=1S/C9H10N2S/c1-11(2)9-5-3-8(4-6-9)10-7-12/h3-6H,1-2H3",HRDJPEMAGYHSJR-UHFFFAOYSA-N,C9H10N2S,178.26,178.0564695,4,47.7,177,0,0,3,2,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"Pyrocatechol, 4-chloro-",2138-22-9,16496,"4-chlorobenzene-1,2-diol",C1=CC(=C(C=C1Cl)O)O,"InChI=1S/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H",WWOBYPKUYODHDG-UHFFFAOYSA-N,C6H5ClO2,144.55,143.9978071,2.3,40.5,97,0,2,2,0,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Pyrocatechol, 4-isopropyl-",2138-43-4,16497,"4-propan-2-ylbenzene-1,2-diol",CC(C)C1=CC(=C(C=C1)O)O,"InChI=1S/C9H12O2/c1-6(2)7-3-4-8(10)9(11)5-7/h3-6,10-11H,1-2H3",WYVMDJWLFVQZAL-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,2.1,40.5,123,0,2,2,1,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, phenethyl-",4/5/58,75089,2-phenylethylurea,C1=CC=C(C=C1)CCNC(=O)N,"InChI=1S/C9H12N2O/c10-9(12)11-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,10,11,12)",ZMTSMVZAFDWQRM-UHFFFAOYSA-N,C9H12N2O,164.2,164.094963,0.9,55.1,141,0,2,1,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"m-Arsanilic acid, 4-hydroxy-",2163-77-1,16555,(3-amino-4-hydroxyphenyl)arsonic acid,C1=CC(=C(C=C1[As](=O)(O)O)N)O,"InChI=1S/C6H8AsNO4/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3,9H,8H2,(H2,10,11,12)",UAKCHCFOPKOOLI-UHFFFAOYSA-N,C6H8AsNO4,233.05,232.966927,,104,204,0,4,5,1,12,,,1,0,1,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0
"Carbamic acid, methyl-, 4-(methylsulfonyl)-3,5-xylyl ester",2179-25-1,16589,"(3,5-dimethyl-4-methylsulfonylphenyl) N-methylcarbamate",CC1=CC(=CC(=C1S(=O)(=O)C)C)OC(=O)NC,"InChI=1S/C11H15NO4S/c1-7-5-9(16-11(13)12-3)6-8(2)10(7)17(4,14)15/h5-6H,1-4H3,(H,12,13)",RJBJMKAMQIOAML-UHFFFAOYSA-N,C11H15NO4S,257.31,257.0721791,1.6,80.9,361,0,1,4,3,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propenamide, N-phenyl-",2210-24-4,221792,N-phenylprop-2-enamide,C=CC(=O)NC1=CC=CC=C1,"InChI=1S/C9H9NO/c1-2-9(11)10-8-6-4-3-5-7-8/h2-7H,1H2,(H,10,11)",BPCNEKWROYSOLT-UHFFFAOYSA-N,C9H9NO,147.17,147.0684139,1.8,29.1,148,0,1,1,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydantoic acid, 1-phenyl-alpha-thio-",2215-20-5,3000722,2-(phenylcarbamothioylamino)acetic acid,C1=CC=C(C=C1)NC(=S)NCC(=O)O,"InChI=1S/C9H10N2O2S/c12-8(13)6-10-9(14)11-7-4-2-1-3-5-7/h1-5H,6H2,(H,12,13)(H2,10,11,14)",UWTLARNSDZXILM-UHFFFAOYSA-N,C9H10N2O2S,210.26,210.0462987,1.1,93.5,215,0,3,3,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Styrene, 2,4-dimethyl-",2234-20-0,16694,"1-ethenyl-2,4-dimethylbenzene",CC1=CC(=C(C=C1)C=C)C,"InChI=1S/C10H12/c1-4-10-6-5-8(2)7-9(10)3/h4-7H,1H2,2-3H3",OEVVKKAVYQFQNV-UHFFFAOYSA-N,C10H12,132.2,132.0939004,3.4,0,115,0,0,0,1,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Phosphoric acid, dimethyl 4-nitro-m-tolyl ester",2255-17-6,16738,dimethyl (3-methyl-4-nitrophenyl) phosphate,CC1=C(C=CC(=C1)OP(=O)(OC)OC)[N+](=O)[O-],"InChI=1S/C9H12NO6P/c1-7-6-8(4-5-9(7)10(11)12)16-17(13,14-2)15-3/h4-6H,1-3H3",MJNAIAPNXYJWCT-UHFFFAOYSA-N,C9H12NO6P,261.17,261.0402241,1.7,90.6,309,0,0,6,4,17,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 2,4,6-trifluoro-",2268-17-9,519974,"2,4,6-trifluorophenol",C1=C(C=C(C(=C1F)O)F)F,"InChI=1S/C6H3F3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H",QQFWMPUXPLBWTG-UHFFFAOYSA-N,C6H3F3O,148.08,148.0135992,1.9,20.2,108,0,1,4,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphoric acid, 2-chloro-1-(2,4-dichlorophenyl)vinyl dimethyl ester",2274-67-1,16769,"[2-chloro-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate",COP(=O)(OC)OC(=CCl)C1=C(C=C(C=C1)Cl)Cl,"InChI=1S/C10H10Cl3O4P/c1-15-18(14,16-2)17-10(6-11)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3",QSGNQELHULIMSJ-UHFFFAOYSA-N,C10H10Cl3O4P,331.5,329.938229,2.4,44.8,342,0,0,4,5,18,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphorodithioic acid, S-(((2,5-dichlorophenyl)thio)methyl) O,O-diethyl ester",2275-14-1,16773,"(2,5-dichlorophenyl)sulfanylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane",CCOP(=S)(OCC)SCSC1=C(C=CC(=C1)Cl)Cl,"InChI=1S/C11H15Cl2O2PS3/c1-3-14-16(17,15-4-2)19-8-18-11-7-9(12)5-6-10(11)13/h5-7H,3-4,8H2,1-2H3",GGNLTHFTYNDYNK-UHFFFAOYSA-N,C11H15Cl2O2PS3,377.3,375.9348856,6,101,300,0,0,5,8,19,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamic acid, sulfanilyl-, methyl ester, monosodium salt",2302-17-2,13389335,sodium (4-aminophenyl)sulfonyl-methoxycarbonylazanide,COC(=O)[N-]S(=O)(=O)C1=CC=C(C=C1)N.[Na+],"InChI=1S/C8H10N2O4S.Na/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7;/h2-5H,9H2,1H3,(H,10,11);/q;+1/p-1",PEXLHWBDBQUUOG-UHFFFAOYSA-M,C8H9N2NaO4S,252.23,252.0180722,,95.8,319,0,1,6,3,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Semicarbazide, 1-(alpha-methylbenzylidene)-3-thio-",2302-93-4,5776548,[(E)-1-phenylethylideneamino]thiourea,C/C(=N\NC(=S)N)/C1=CC=CC=C1,"InChI=1S/C9H11N3S/c1-7(11-12-9(10)13)8-5-3-2-4-6-8/h2-6H,1H3,(H3,10,12,13)/b11-7+",JMULZUQMMLAALR-YRNVUSSQSA-N,C9H11N3S,193.27,193.0673685,1.4,82.5,207,0,2,2,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phthalic acid, monoethyl ester",2306-33-4,75318,2-ethoxycarbonylbenzoic acid,CCOC(=O)C1=CC=CC=C1C(=O)O,"InChI=1S/C10H10O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12)",YWWHKOHZGJFMIE-UHFFFAOYSA-N,C10H10O4,194.18,194.0579088,1.8,63.6,224,0,1,4,4,14,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"o-Anisic acid, 3,5,6-trichloro-",2307-49-5,16824,"2,3,5-trichloro-6-methoxybenzoic acid",COC1=C(C(=C(C=C1Cl)Cl)Cl)C(=O)O,"InChI=1S/C8H5Cl3O3/c1-14-7-4(10)2-3(9)6(11)5(7)8(12)13/h2H,1H3,(H,12,13)",WCLDITPGPXSPGV-UHFFFAOYSA-N,C8H5Cl3O3,255.5,253.930427,2.8,46.5,224,0,1,3,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenesulfonic acid, 4-methyl-, 1-methylethyl ester",2307-69-9,598985,propan-2-yl 4-methylbenzenesulfonate,CC1=CC=C(C=C1)S(=O)(=O)OC(C)C,"InChI=1S/C10H14O3S/c1-8(2)13-14(11,12)10-6-4-9(3)5-7-10/h4-8H,1-3H3",SDQCGKJCBWXRMK-UHFFFAOYSA-N,C10H14O3S,214.28,214.0663655,2.4,51.8,256,0,0,3,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cinnamic acid, 4-hydroxy-3-methoxy-, methyl ester",7/1/09,5357283,methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate,COC1=C(C=CC(=C1)/C=C/C(=O)OC)O,"InChI=1S/C11H12O4/c1-14-10-7-8(3-5-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4+",AUJXJFHANFIVKH-GQCTYLIASA-N,C11H12O4,208.21,208.0735589,1.8,55.8,237,0,1,4,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzaldehyde, 3,5-dichloro-4-hydroxy-",2314-36-5,16839,"3,5-dichloro-4-hydroxybenzaldehyde",C1=C(C=C(C(=C1Cl)O)Cl)C=O,"InChI=1S/C7H4Cl2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H",LIYGCLJYTHRBQV-UHFFFAOYSA-N,C7H4Cl2O2,191.01,189.9588348,2.5,37.3,139,0,1,2,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propenoic acid, 3-(4-aminophenyl)-",2393-18-2,1549514,(E)-3-(4-aminophenyl)prop-2-enoic acid,C1=CC(=CC=C1/C=C/C(=O)O)N,"InChI=1S/C9H9NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,10H2,(H,11,12)/b6-3+",JOLPMPPNHIACPD-ZZXKWVIFSA-N,C9H9NO2,163.17,163.0633285,1.1,63.3,181,0,2,3,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, N,N-diethyl-2-phenyl-",2431-96-1,17076,"N,N-diethyl-2-phenylacetamide",CCN(CC)C(=O)CC1=CC=CC=C1,"InChI=1S/C12H17NO/c1-3-13(4-2)12(14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3",UXDAWVUDZLBBAM-UHFFFAOYSA-N,C12H17NO,191.27,191.1310142,2.1,20.3,169,0,0,1,4,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Resorcinol, 2,4,6-tribromo-",2437-49-2,17094,"2,4,6-tribromobenzene-1,3-diol",C1=C(C(=C(C(=C1Br)O)Br)O)Br,"InChI=1S/C6H3Br3O2/c7-2-1-3(8)6(11)4(9)5(2)10/h1,10-11H",YADZSMVDNYXOOB-UHFFFAOYSA-N,C6H3Br3O2,346.8,345.76627,4.4,40.5,130,0,2,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, o-methoxy-",2439-77-2,75540,2-methoxybenzamide,COC1=CC=CC=C1C(=O)N,"InChI=1S/C8H9NO2/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H2,9,10)",MNWSGMTUGXNYHJ-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,0.8,52.3,147,0,1,2,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzyl alcohol, m-amino-alpha-methyl-",2454-37-7,222461,1-(3-aminophenyl)ethanol,CC(C1=CC(=CC=C1)N)O,"InChI=1S/C8H11NO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,9H2,1H3",QPKNDHZQPGMLCJ-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,0.6,46.3,105,0,2,2,1,10,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphorothioic acid, O-(2-chloro-4-nitrophenyl) O,O-dimethyl ester",2463-84-5,17168,(2-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane,COP(=S)(OC)OC1=C(C=C(C=C1)[N+](=O)[O-])Cl,"InChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-8-4-3-6(10(11)12)5-7(8)9/h3-5H,1-2H3",OTKXWJHPGBRXCR-UHFFFAOYSA-N,C8H9ClNO5PS,297.65,296.9627583,3.6,106,318,0,0,6,4,17,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Glycine, N-(4-hydroxybenzoyl)-",2482-25-9,151012,2-[(4-hydroxybenzoyl)amino]acetic acid,C1=CC(=CC=C1C(=O)NCC(=O)O)O,"InChI=1S/C9H9NO4/c11-7-3-1-6(2-4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)",ZMHLUFWWWPBTIU-UHFFFAOYSA-N,C9H9NO4,195.17,195.0531578,-0.6,86.6,221,0,3,4,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanone, 2-bromo-1-(2-hydroxyphenyl)-",2491-36-3,200671,2-bromo-1-(2-hydroxyphenyl)ethanone,C1=CC=C(C(=C1)C(=O)CBr)O,"InChI=1S/C8H7BrO2/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4,10H,5H2",SGPKEYSZPHMVNI-UHFFFAOYSA-N,C8H7BrO2,215.04,213.96294,2.9,37.3,147,0,1,2,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Acetamide, N-(2-(3,4-dihydroxyphenyl)ethyl)-",12/4/94,100526,"N-[2-(3,4-dihydroxyphenyl)ethyl]acetamide",CC(=O)NCCC1=CC(=C(C=C1)O)O,"InChI=1S/C10H13NO3/c1-7(12)11-5-4-8-2-3-9(13)10(14)6-8/h2-3,6,13-14H,4-5H2,1H3,(H,11,12)",OFSAJYZMIPNPHE-UHFFFAOYSA-N,C10H13NO3,195.21,195.0895433,-0.7,69.6,196,0,3,3,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 2-chloro-3,5-dinitro-",2497-91-8,17247,"2-chloro-3,5-dinitrobenzoic acid",C1=C(C=C(C(=C1C(=O)O)Cl)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C7H3ClN2O6/c8-6-4(7(11)12)1-3(9(13)14)2-5(6)10(15)16/h1-2H,(H,11,12)",ADTKEYLCJYYHHH-UHFFFAOYSA-N,C7H3ClN2O6,246.56,245.9679635,2.5,129,324,0,1,6,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Aniline, N-acetyl-3-methylthio-",2524-78-9,17308,N-[3-(sulfanylmethyl)phenyl]acetamide,CC(=O)NC1=CC=CC(=C1)CS,"InChI=1S/C9H11NOS/c1-7(11)10-9-4-2-3-8(5-9)6-12/h2-5,12H,6H2,1H3,(H,10,11)",XKSHGBQHPUBJLB-UHFFFAOYSA-N,C9H11NOS,181.26,181.0561352,1.4,30.1,161,0,2,2,2,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Phenol, 2-methoxy-3,4,5,6-tetrachloro-",2539-17-5,17343,"2,3,4,5-tetrachloro-6-methoxyphenol",COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)O,"InChI=1S/C7H4Cl4O2/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h12H,1H3",YZZVKLJKDFFSFL-UHFFFAOYSA-N,C7H4Cl4O2,261.9,261.89359,4.4,29.5,180,0,1,2,1,13,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Acetanilide, 4'-bromo-2-chloro-",2/5/64,17374,N-(4-bromophenyl)-2-chloroacetamide,C1=CC(=CC=C1NC(=O)CCl)Br,"InChI=1S/C8H7BrClNO/c9-6-1-3-7(4-2-6)11-8(12)5-10/h1-4H,5H2,(H,11,12)",FRZKCMCCQAJIBN-UHFFFAOYSA-N,C8H7BrClNO,248.5,246.93995,2.3,29.1,157,0,1,1,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, (2,4-dichlorophenoxy)-, triethanolamine salt",1/9/69,13624934,"2-[bis(2-hydroxyethyl)amino]ethanol;2-(2,4-dichlorophenoxy)acetic acid",C1=CC(=C(C=C1Cl)Cl)OCC(=O)O.C(CO)N(CCO)CCO,"InChI=1S/C8H6Cl2O3.C6H15NO3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;8-4-1-7(2-5-9)3-6-10/h1-3H,4H2,(H,11,12);8-10H,1-6H2",OLHMQEQGSVBLTJ-UHFFFAOYSA-N,C14H21Cl2NO6,370.2,369.0745928,,110,242,0,4,7,9,23,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"Carbamic acid, methyl-, 4-chloro-m-tolyl ester",2589-65-3,75765,(4-chloro-3-methylphenyl) N-methylcarbamate,CC1=C(C=CC(=C1)OC(=O)NC)Cl,"InChI=1S/C9H10ClNO2/c1-6-5-7(3-4-8(6)10)13-9(12)11-2/h3-5H,1-2H3,(H,11,12)",CWOGPWIJFSPUMU-UHFFFAOYSA-N,C9H10ClNO2,199.63,199.0400063,2.6,38.3,186,0,1,2,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Urea, 1,1'-m-phenylenebis(2-thio-",1/7/91,2760373,[3-(carbamothioylamino)phenyl]thiourea,C1=CC(=CC(=C1)NC(=S)N)NC(=S)N,"InChI=1S/C8H10N4S2/c9-7(13)11-5-2-1-3-6(4-5)12-8(10)14/h1-4H,(H3,9,11,13)(H3,10,12,14)",PZMVHTFOYWAHTK-UHFFFAOYSA-N,C8H10N4S2,226.3,226.0346887,-0.1,140,209,0,4,2,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 2,3,5,6-tetramethyl-",2604-45-7,17452,"2,3,5,6-tetramethylbenzoic acid",CC1=CC(=C(C(=C1C)C(=O)O)C)C,"InChI=1S/C11H14O2/c1-6-5-7(2)9(4)10(8(6)3)11(12)13/h5H,1-4H3,(H,12,13)",STIDRZRESMTQBD-UHFFFAOYSA-N,C11H14O2,178.23,178.0993797,2.9,37.3,186,0,1,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Formanilide, 4'-bromo-",2617-78-9,17474,N-(4-bromophenyl)formamide,C1=CC(=CC=C1NC=O)Br,"InChI=1S/C7H6BrNO/c8-6-1-3-7(4-2-6)9-5-10/h1-5H,(H,9,10)",PYHXNHQAVPSOKT-UHFFFAOYSA-N,C7H6BrNO,200.03,198.96328,2.1,29.1,110,0,1,1,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Carbamic acid, methyl-, 4-(methylsulfinyl)-3,5-xylyl ester",10/1/35,17521,"(3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate",CC1=CC(=CC(=C1S(=O)C)C)OC(=O)NC,"InChI=1S/C11H15NO3S/c1-7-5-9(15-11(13)12-3)6-8(2)10(7)16(4)14/h5-6H,1-4H3,(H,12,13)",FNCMBMZOZQAWJA-UHFFFAOYSA-N,C11H15NO3S,241.31,241.0772645,1.5,74.6,270,0,1,4,3,16,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 1-(p-bromophenyl)-2-thio-",2646-30-2,2735620,(4-bromophenyl)thiourea,C1=CC(=CC=C1NC(=S)N)Br,"InChI=1S/C7H7BrN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)",MRVQULNOKCOGHC-UHFFFAOYSA-N,C7H7BrN2S,231.12,229.95133,2.6,70.1,143,0,2,1,1,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"m-Toluidine, alpha,alpha,alpha-trifluoro-, hydrochloride",2646-97-1,200755,3-(trifluoromethyl)aniline;hydrochloride,C1=CC(=CC(=C1)N)C(F)(F)F.Cl,"InChI=1S/C7H6F3N.ClH/c8-7(9,10)5-2-1-3-6(11)4-5;/h1-4H,11H2;1H",RGHFRKJSEQEKCV-UHFFFAOYSA-N,C7H7ClF3N,197.58,197.0219114,,26,132,0,2,4,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, p-hydroxy-, dodecyl ester",2664-60-0,17569,dodecyl 4-hydroxybenzoate,CCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)O,"InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-16-22-19(21)17-12-14-18(20)15-13-17/h12-15,20H,2-11,16H2,1H3",BAYSQTBAJQRACX-UHFFFAOYSA-N,C19H30O3,306.4,306.2194948,7.5,46.5,270,0,1,3,13,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Phenol, 4-(1,1-dimethyl-4-penten-2-ynyl)-",2696-33-5,134549,4-(2-methylhex-5-en-3-yn-2-yl)phenol,CC(C)(C#CC=C)C1=CC=C(C=C1)O,"InChI=1S/C13H14O/c1-4-5-10-13(2,3)11-6-8-12(14)9-7-11/h4,6-9,14H,1H2,2-3H3",QRCZSLMYYOGMQQ-UHFFFAOYSA-N,C13H14O,186.25,186.1044651,4,20.2,255,0,1,1,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, alpha-methyl-, hydrochloride, (+-)-",2706-50-5,92939,1-phenylpropan-2-amine;hydrochloride,CC(CC1=CC=CC=C1)N.Cl,"InChI=1S/C9H13N.ClH/c1-8(10)7-9-5-3-2-4-6-9;/h2-6,8H,7,10H2,1H3;1H",SEVKYLYIYIKRSW-UHFFFAOYSA-N,C9H14ClN,171.67,171.0814771,,26,84,0,2,1,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 1-methyl-3-phenyl-2-thio-",2724-69-8,698294,1-methyl-3-phenylthiourea,CNC(=S)NC1=CC=CC=C1,"InChI=1S/C8H10N2S/c1-9-8(11)10-7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,10,11)",IGEQFPWPMCIYDF-UHFFFAOYSA-N,C8H10N2S,166.25,166.0564695,1.7,56.2,130,0,2,1,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2,4-dichloro-5-sulfamoyl-",2736-23-4,17655,"2,4-dichloro-5-sulfamoylbenzoic acid",C1=C(C(=CC(=C1S(=O)(=O)N)Cl)Cl)C(=O)O,"InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)",ZSHHRBYVHTVRFK-UHFFFAOYSA-N,C7H5Cl2NO4S,270.09,268.9316342,1.3,106,352,0,2,5,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, N-butyl-",2782-40-3,76024,N-butylbenzamide,CCCCNC(=O)C1=CC=CC=C1,"InChI=1S/C11H15NO/c1-2-3-9-12-11(13)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13)",BAULSHLTGVOYKM-UHFFFAOYSA-N,C11H15NO,177.24,177.1153641,2.1,29.1,150,0,1,1,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Anthranilic acid, 3,5-dichloro-",2789-92-6,76036,"2-amino-3,5-dichlorobenzoic acid",C1=C(C=C(C(=C1C(=O)O)N)Cl)Cl,"InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)",KTHTXLUIEAIGCD-UHFFFAOYSA-N,C7H5Cl2NO2,206.02,204.9697338,2.6,63.3,188,0,2,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Malononitrile, (m-nitrobenzylidene)-",2826-32-6,17797,2-[(3-nitrophenyl)methylidene]propanedinitrile,C1=CC(=CC(=C1)[N+](=O)[O-])C=C(C#N)C#N,InChI=1S/C10H5N3O2/c11-6-9(7-12)4-8-2-1-3-10(5-8)13(14)15/h1-5H,UQMJZLGIKHAOQZ-UHFFFAOYSA-N,C10H5N3O2,199.17,199.0381764,1.6,93.4,358,0,0,4,1,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"p-Acetotoluidide, 2,2-dichloro-",11/7/42,17825,"2,2-dichloro-N-(4-methylphenyl)acetamide",CC1=CC=C(C=C1)NC(=O)C(Cl)Cl,"InChI=1S/C9H9Cl2NO/c1-6-2-4-7(5-3-6)12-9(13)8(10)11/h2-5,8H,1H3,(H,12,13)",RPIGRQVPOZXDDV-UHFFFAOYSA-N,C9H9Cl2NO,218.08,217.0061193,3,29.1,176,0,1,1,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Stannane, ((p-acetamidobenzoyl)oxy)tributyl-",3/6/57,16684361,tributylstannyl 4-acetamidobenzoate,CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=C(C=C1)NC(=O)C,"InChI=1S/C9H9NO3.3C4H9.Sn/c1-6(11)10-8-4-2-7(3-5-8)9(12)13;3*1-3-4-2;/h2-5H,1H3,(H,10,11)(H,12,13);3*1,3-4H2,2H3;/q;;;;+1/p-1",UBRZUYJGFBYTDE-UHFFFAOYSA-M,C21H35NO3Sn,468.2,469.163897,,55.4,398,0,1,3,13,26,,,1,1,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,0
"Benzenesulfonyl chloride, 2-chloro-",2905-23-9,76187,2-chlorobenzenesulfonyl chloride,C1=CC=C(C(=C1)S(=O)(=O)Cl)Cl,"InChI=1S/C6H4Cl2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H",KMVZDSQHLDGKGV-UHFFFAOYSA-N,C6H4Cl2O2S,211.06,209.9309059,2.2,42.5,219,0,0,2,1,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"Benzaldehyde, 4-fluoro-2-nitro-",2923-96-8,76226,4-fluoro-2-nitrobenzaldehyde,C1=CC(=C(C=C1F)[N+](=O)[O-])C=O,InChI=1S/C7H4FNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-4H,ORCGMGUNVGVHDN-UHFFFAOYSA-N,C7H4FNO3,169.11,169.0175212,1.4,62.9,192,0,0,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanol, 2-(o-anisidino)-",2933-75-7,76238,2-(2-methoxyanilino)ethanol,COC1=CC=CC=C1NCCO,"InChI=1S/C9H13NO2/c1-12-9-5-3-2-4-8(9)10-6-7-11/h2-5,10-11H,6-7H2,1H3",CWDMDQXDGXFQFX-UHFFFAOYSA-N,C9H13NO2,167.2,167.0946287,1.5,41.5,119,0,2,3,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetanilide, 2,2,2-trifluoro-3'-(trifluoromethyl)-",2946-73-8,101316,"2,2,2-trifluoro-N-[3-(trifluoromethyl)phenyl]acetamide",C1=CC(=CC(=C1)NC(=O)C(F)(F)F)C(F)(F)F,"InChI=1S/C9H5F6NO/c10-8(11,12)5-2-1-3-6(4-5)16-7(17)9(13,14)15/h1-4H,(H,16,17)",YSZXBKBYXXJXMS-UHFFFAOYSA-N,C9H5F6NO,257.13,257.0275328,3.7,29.1,284,0,1,7,1,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Choline, chloride, benzoate",9/2/64,76298,2-benzoyloxyethyl(trimethyl)azanium chloride,C[N+](C)(C)CCOC(=O)C1=CC=CC=C1.[Cl-],"InChI=1S/C12H18NO2.ClH/c1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3;1H/q+1;/p-1",QVFHQENRNSAHEK-UHFFFAOYSA-M,C12H18ClNO2,243.73,243.1026065,,26.3,202,0,0,3,5,16,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 2-(chloromethyl)-4-nitro-",2973-19-5,76305,2-(chloromethyl)-4-nitrophenol,C1=CC(=C(C=C1[N+](=O)[O-])CCl)O,"InChI=1S/C7H6ClNO3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,10H,4H2",PJNPZIYGODMAQE-UHFFFAOYSA-N,C7H6ClNO3,187.58,187.0036207,1.6,66.1,171,0,1,3,1,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Benzaldehyde, 2-bromo-3-hydroxy-4-methoxy-",2973-58-2,224011,2-bromo-3-hydroxy-4-methoxybenzaldehyde,COC1=C(C(=C(C=C1)C=O)Br)O,"InChI=1S/C8H7BrO3/c1-12-6-3-2-5(4-10)7(9)8(6)11/h2-4,11H,1H3",QPDFBPIHEDAUKK-UHFFFAOYSA-N,C8H7BrO3,231.04,229.95786,1.5,46.5,162,0,1,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzaldehyde, 3,5-dibromo-4-hydroxy-",2973-77-5,18100,"3,5-dibromo-4-hydroxybenzaldehyde",C1=C(C=C(C(=C1Br)O)Br)C=O,"InChI=1S/C7H4Br2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H",SXRHGLQCOLNZPT-UHFFFAOYSA-N,C7H4Br2O2,279.91,279.85576,3.2,37.3,139,0,1,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiocyanic acid, p-aminophenyl ester",2987-46-4,76336,(4-aminophenyl) thiocyanate,C1=CC(=CC=C1N)SC#N,"InChI=1S/C7H6N2S/c8-5-10-7-3-1-6(9)2-4-7/h1-4H,9H2",NJYFRQQXXXRJHK-UHFFFAOYSA-N,C7H6N2S,150.2,150.0251694,1.8,75.1,141,0,1,3,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetonitrile, phenylamino-",3009-97-0,76372,2-anilinoacetonitrile,C1=CC=C(C=C1)NCC#N,"InChI=1S/C8H8N2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,10H,7H2",KAXCEFLQAYFJKV-UHFFFAOYSA-N,C8H8N2,132.16,132.0687483,1.7,35.8,127,0,1,2,2,10,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanesulfonic acid, 2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)-, sodium salt",3013-94-3,23678864,"sodium 2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanesulfonate",CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCS(=O)(=O)[O-].[Na+],"InChI=1S/C18H30O5S.Na/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)23-11-10-22-12-13-24(19,20)21;/h6-9H,10-14H2,1-5H3,(H,19,20,21);/q;+1/p-1",XBMBHKZYEXQONC-UHFFFAOYSA-M,C18H29NaO5S,380.5,380.1633395,,84,457,0,0,5,10,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Salicylaldehyde, semicarbazone",3030-97-5,135466838,[(E)-(2-hydroxyphenyl)methylideneamino]urea,C1=CC=C(C(=C1)/C=N/NC(=O)N)O,"InChI=1S/C8H9N3O2/c9-8(13)11-10-5-6-3-1-2-4-7(6)12/h1-5,12H,(H3,9,11,13)/b10-5+",IZXDQSKCOWSUOG-BJMVGYQFSA-N,C8H9N3O2,179.18,179.0694765,0.2,87.7,206,0,3,3,2,13,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrazine, (o-nitrophenyl)-",3034-19-3,3314739,(2-nitrophenyl)hydrazine,C1=CC=C(C(=C1)NN)[N+](=O)[O-],"InChI=1S/C6H7N3O2/c7-8-5-3-1-2-4-6(5)9(10)11/h1-4,8H,7H2",FRBUNLLUASHNDJ-UHFFFAOYSA-N,C6H7N3O2,153.14,153.0538265,1.4,83.9,145,0,2,4,1,11,,,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"Benzamide, 4-cyano-",3034-34-2,76427,4-cyanobenzamide,C1=CC(=CC=C1C#N)C(=O)N,"InChI=1S/C8H6N2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H2,10,11)",FUKWTMJZHKZKFA-UHFFFAOYSA-N,C8H6N2O,146.15,146.0480128,0.5,66.9,195,0,1,2,1,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonium, triethylphenyl-, iodide",3040-69-5,102363,triethyl(phenyl)phosphanium iodide,CC[P+](CC)(CC)C1=CC=CC=C1.[I-],"InChI=1S/C12H20P.HI/c1-4-13(5-2,6-3)12-10-8-7-9-11-12;/h7-11H,4-6H2,1-3H3;1H/q+1;/p-1",RJPPYCZKYVZXFJ-UHFFFAOYSA-M,C12H20IP,322.16,322.03474,,0,124,0,0,1,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, p-(N-methylsulfamoyl)-",3077-61-0,76502,4-hydroxy-N-methylbenzenesulfonamide,CNS(=O)(=O)C1=CC=C(C=C1)O,"InChI=1S/C7H9NO3S/c1-8-12(10,11)7-4-2-6(9)3-5-7/h2-5,8-9H,1H3",RHPDIBUPEZIAAU-UHFFFAOYSA-N,C7H9NO3S,187.22,187.0303143,0.9,74.8,224,0,2,4,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"p-Phenylenediamine, N,N'-bis(1,4-dimethylpentyl)-",3081-14-9,18320,"1-N,4-N-bis(5-methylhexan-2-yl)benzene-1,4-diamine",CC(C)CCC(C)NC1=CC=C(C=C1)NC(C)CCC(C)C,"InChI=1S/C20H36N2/c1-15(2)7-9-17(5)21-19-11-13-20(14-12-19)22-18(6)10-8-16(3)4/h11-18,21-22H,7-10H2,1-6H3",ZJNLYGOUHDJHMG-UHFFFAOYSA-N,C20H36N2,304.5,304.2878492,6.8,24.1,239,0,2,2,10,22,"greater than 200 °F (NTP, 1992)","459 °F at 13.5 mmHg (NTP, 1992)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Sulfone, methyl phenyl",3112-85-4,18369,methylsulfonylbenzene,CS(=O)(=O)C1=CC=CC=C1,"InChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3",JCDWETOKTFWTHA-UHFFFAOYSA-N,C7H8O2S,156.2,156.0245007,0.5,42.5,182,0,0,2,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Sulfone, allyl p-tolyl",3112-87-6,96276,1-methyl-4-prop-2-enylsulfonylbenzene,CC1=CC=C(C=C1)S(=O)(=O)CC=C,"InChI=1S/C10H12O2S/c1-3-8-13(11,12)10-6-4-9(2)5-7-10/h3-7H,1,8H2,2H3",QTTZZUJXQPUOTF-UHFFFAOYSA-N,C10H12O2S,196.27,196.0558008,2.2,42.5,253,0,0,2,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenesulfonamide, p-cyano-",2/6/19,76566,4-cyanobenzenesulfonamide,C1=CC(=CC=C1C#N)S(=O)(=O)N,"InChI=1S/C7H6N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,(H2,9,10,11)",UZECCNDOASGYNH-UHFFFAOYSA-N,C7H6N2O2S,182.2,182.0149986,0.2,92.3,287,0,1,4,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 3-amino-2,4,6-triiodo-",3119-15-1,18387,"3-amino-2,4,6-triiodobenzoic acid",C1=C(C(=C(C(=C1I)N)I)C(=O)O)I,"InChI=1S/C7H4I3NO2/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1H,11H2,(H,12,13)",QMQFFHSJUJDRPG-UHFFFAOYSA-N,C7H4I3NO2,514.83,514.7376,2.7,63.3,214,0,2,3,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Methanol, (phenylphosphinidene)di-",3127-08-0,201037,[hydroxymethyl(phenyl)phosphanyl]methanol,C1=CC=C(C=C1)P(CO)CO,"InChI=1S/C8H11O2P/c9-6-11(7-10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2",LJDGKIUMGVMSGI-UHFFFAOYSA-N,C8H11O2P,170.15,170.0496666,0.3,40.5,98,0,2,2,3,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydroperoxide, (1,4-phenylenebis(1-methylethylidene))bis-",3159-98-6,201059,"1,4-bis(2-hydroperoxypropan-2-yl)benzene",CC(C)(C1=CC=C(C=C1)C(C)(C)OO)OO,"InChI=1S/C12H18O4/c1-11(2,15-13)9-5-7-10(8-6-9)12(3,4)16-14/h5-8,13-14H,1-4H3",REGMWDPZVFOJLY-UHFFFAOYSA-N,C12H18O4,226.27,226.1205091,1.4,58.9,193,0,2,4,4,16,,,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1,1,0,0,0
"Phenol, o-t-butyl-4,6-dinitro-, acetate (ester)",3204-27-1,76666,"(2-tert-butyl-4,6-dinitrophenyl) acetate",CC(=O)OC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(C)(C)C,"InChI=1S/C12H14N2O6/c1-7(15)20-11-9(12(2,3)4)5-8(13(16)17)6-10(11)14(18)19/h5-6H,1-4H3",BMJYKXALMDAIEG-UHFFFAOYSA-N,C12H14N2O6,282.25,282.0851862,3,118,406,0,0,6,3,20,,,1,1,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-, monohydrochloride, L-",7/2/23,9927978,(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid;hydrochloride,C1=CC(=CC=C1C[C@@H](C(=O)O)N)N(CCCl)CCCl.Cl,"InChI=1S/C13H18Cl2N2O2.ClH/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19;/h1-4,12H,5-9,16H2,(H,18,19);1H/t12-;/m0./s1",OUUYBRCCFUEMLH-YDALLXLXSA-N,C13H19Cl3N2O2,341.7,340.051211,,66.6,265,0,3,4,8,20,,,0,1,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,1,1,0
"Thiocyanic acid, 4-chlorophenyl ester",3226-37-7,76699,(4-chlorophenyl) thiocyanate,C1=CC(=CC=C1SC#N)Cl,InChI=1S/C7H4ClNS/c8-6-1-3-7(4-2-6)10-5-9/h1-4H,AUQXBIOKBXZSPG-UHFFFAOYSA-N,C7H4ClNS,169.63,168.975298,3.1,49.1,143,0,0,2,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
o-Cymen-5-ol,2/2/28,18597,3-methyl-4-propan-2-ylphenol,CC1=C(C=CC(=C1)O)C(C)C,"InChI=1S/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3",IJALWSVNUBBQRA-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,3,20.2,120,0,1,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 2-isopropyl-6-methyl-",4/4/28,18598,2-methyl-6-propan-2-ylphenol,CC1=C(C(=CC=C1)C(C)C)O,"InChI=1S/C10H14O/c1-7(2)9-6-4-5-8(3)10(9)11/h4-7,11H,1-3H3",KFETUQFRWIVAMU-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,3,20.2,120,0,1,1,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzeneethanamine, 4-methyl-",3261-62-9,76751,2-(4-methylphenyl)ethanamine,CC1=CC=C(C=C1)CCN,"InChI=1S/C9H13N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6-7,10H2,1H3",VKJXAQYPOTYDLO-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,1.6,26,82,0,1,1,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"p-Anisic acid, hydrazide",3290-99-1,76792,4-methoxybenzohydrazide,COC1=CC=C(C=C1)C(=O)NN,"InChI=1S/C8H10N2O2/c1-12-7-4-2-6(3-5-7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)",REKQLYUAUXYJSZ-UHFFFAOYSA-N,C8H10N2O2,166.18,166.0742276,0.2,64.4,153,0,2,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenesulfonamide, o-amino-",3306-62-5,72894,2-aminobenzenesulfonamide,C1=CC=C(C(=C1)N)S(=O)(=O)N,"InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)",YAZSBRQTAHVVGE-UHFFFAOYSA-N,C6H8N2O2S,172.21,172.0306487,0.2,94.6,219,0,2,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzene, 1-methoxy-2-(2-nitroethenyl)-",3316-24-3,710669,1-methoxy-2-[(E)-2-nitroethenyl]benzene,COC1=CC=CC=C1/C=C/[N+](=O)[O-],"InChI=1S/C9H9NO3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3/b7-6+",FVKSRNVYJXQCLK-VOTSOKGWSA-N,C9H9NO3,179.17,179.0582431,2.1,55.1,198,0,0,3,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, 4-methoxy-",3424-93-9,76959,4-methoxybenzamide,COC1=CC=C(C=C1)C(=O)N,"InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)",GUCPYIYFQVTFSI-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,0.9,52.3,139,0,1,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrocatechol, 4,5-dichloro-",3428-24-8,18909,"4,5-dichlorobenzene-1,2-diol",C1=C(C(=CC(=C1Cl)Cl)O)O,"InChI=1S/C6H4Cl2O2/c7-3-1-5(9)6(10)2-4(3)8/h1-2,9-10H",ACCHWUWBKYGKNM-UHFFFAOYSA-N,C6H4Cl2O2,179,177.9588348,2.7,40.5,106,0,2,2,0,10,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"beta-Alanine, N-benzoyl-",3440-28-6,71651,3-benzamidopropanoic acid,C1=CC=C(C=C1)C(=O)NCCC(=O)O,"InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)",CWXYHOHYCJXYFQ-UHFFFAOYSA-N,C10H11NO3,193.2,193.0738932,0.5,66.4,209,0,2,3,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, 3-cyano-",1/8/41,76974,3-cyanobenzamide,C1=CC(=CC(=C1)C(=O)N)C#N,"InChI=1S/C8H6N2O/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H2,10,11)",PAQVSWFCADWSLB-UHFFFAOYSA-N,C8H6N2O,146.15,146.0480128,0.5,66.9,203,0,1,2,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Aniline, 2,5-dimethyl-4-nitro-",3460-29-5,18963,"2,5-dimethyl-4-nitroaniline",CC1=CC(=C(C=C1[N+](=O)[O-])C)N,"InChI=1S/C8H10N2O2/c1-5-4-8(10(11)12)6(2)3-7(5)9/h3-4H,9H2,1-2H3",PJAGNJQUIUEGKP-UHFFFAOYSA-N,C8H10N2O2,166.18,166.0742276,1.8,71.8,178,0,1,3,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propiophenone, 3-(dimethylamino)-",3506-36-3,77042,3-(dimethylamino)-1-phenylpropan-1-one,CN(C)CCC(=O)C1=CC=CC=C1,"InChI=1S/C11H15NO/c1-12(2)9-8-11(13)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3",QMNXJNURJISYMS-UHFFFAOYSA-N,C11H15NO,177.24,177.1153641,1.6,20.3,159,0,0,2,4,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Cinnamaldehyde, o-hydroxy-",3541-42-2,5318169,(E)-3-(2-hydroxyphenyl)prop-2-enal,C1=CC=C(C(=C1)/C=C/C=O)O,"InChI=1S/C9H8O2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-7,11H/b5-3+",BSDNZCQPDVTDET-HWKANZROSA-N,C9H8O2,148.16,148.0524295,1.5,37.3,152,0,1,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzyl alcohol, alpha-ethynyl-, carbamate",3567-38-2,19111,1-phenylprop-2-ynyl carbamate,C#CC(C1=CC=CC=C1)OC(=O)N,"InChI=1S/C10H9NO2/c1-2-9(13-10(11)12)8-6-4-3-5-7-8/h1,3-7,9H,(H2,11,12)",MTTYXGPMZKRTCI-UHFFFAOYSA-N,C10H9NO2,175.18,175.0633285,1.6,52.3,222,0,1,2,3,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"Urea, N-(3,4-dichlorophenyl)-N'-methyl-",3567-62-2,19113,"1-(3,4-dichlorophenyl)-3-methylurea",CNC(=O)NC1=CC(=C(C=C1)Cl)Cl,"InChI=1S/C8H8Cl2N2O/c1-11-8(13)12-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H2,11,12,13)",IDQHRQQSSQDLTR-UHFFFAOYSA-N,C8H8Cl2N2O,219.06,218.0013683,2.9,41.1,189,0,2,1,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"o-Toluamide, 3-amino-5-nitro-",3572-44-9,19141,3-amino-2-methyl-5-nitrobenzamide,CC1=C(C=C(C=C1N)[N+](=O)[O-])C(=O)N,"InChI=1S/C8H9N3O3/c1-4-6(8(10)12)2-5(11(13)14)3-7(4)9/h2-3H,9H2,1H3,(H2,10,12)",RBLRQBGOUCRKRT-UHFFFAOYSA-N,C8H9N3O3,195.18,195.0643912,0.3,115,251,0,2,4,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Methanesulfonanilide, 4'-hydroxy-N-methyl-",3572-85-8,198964,N-(4-hydroxyphenyl)-N-methylmethanesulfonamide,CN(C1=CC=C(C=C1)O)S(=O)(=O)C,"InChI=1S/C8H11NO3S/c1-9(13(2,11)12)7-3-5-8(10)6-4-7/h3-6,10H,1-2H3",UTJCBWGFCODDEI-UHFFFAOYSA-N,C8H11NO3S,201.25,201.0459644,0.7,66,249,0,1,4,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, (p-chlorophenoxy)-, 2-dimethylaminoethyl ester, hydrochloride",3685-84-5,19379,2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate;hydrochloride,CN(C)CCOC(=O)COC1=CC=C(C=C1)Cl.Cl,"InChI=1S/C12H16ClNO3.ClH/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11;/h3-6H,7-9H2,1-2H3;1H",FIVHOHCAXWQPGC-UHFFFAOYSA-N,C12H17Cl2NO3,294.17,293.0585488,,38.8,228,0,1,4,7,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, 4-chloro-N-methyl-3-(methylsulfamoyl)-",3688-85-5,19394,4-chloro-N-methyl-3-(methylsulfamoyl)benzamide,CNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC,"InChI=1S/C9H11ClN2O3S/c1-11-9(13)6-3-4-7(10)8(5-6)16(14,15)12-2/h3-5,12H,1-2H3,(H,11,13)",REQFWARMBJWJAQ-UHFFFAOYSA-N,C9H11ClN2O3S,262.71,262.0178911,0.8,83.7,352,0,2,4,3,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Propanediol, 2-amino-1-(4-nitrophenyl)-, (R*,R*)-rel-",3689-55-2,92743,"2-amino-1-(4-nitrophenyl)propane-1,3-diol",C1=CC(=CC=C1C(C(CO)N)O)[N+](=O)[O-],"InChI=1S/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2",OCYJXSUPZMNXEN-UHFFFAOYSA-N,C9H12N2O4,212.2,212.0797069,-0.7,112,211,0,3,5,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Isothiocyanic acid, p-chlorobenzyl ester",3694-45-9,19408,1-chloro-4-(isothiocyanatomethyl)benzene,C1=CC(=CC=C1CN=C=S)Cl,"InChI=1S/C8H6ClNS/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2",DEHXIHUIYSXZNH-UHFFFAOYSA-N,C8H6ClNS,183.66,182.9909481,3.8,44.5,157,0,0,2,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isothiocyanic acid, m-chlorobenzyl ester",3694-58-4,19412,1-chloro-3-(isothiocyanatomethyl)benzene,C1=CC(=CC(=C1)Cl)CN=C=S,"InChI=1S/C8H6ClNS/c9-8-3-1-2-7(4-8)5-10-6-11/h1-4H,5H2",GGNLZOLEJMSOKU-UHFFFAOYSA-N,C8H6ClNS,183.66,182.9909481,4.2,44.5,165,0,0,2,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1-(p-chlorophenyl)-2-thio-",3696-23-9,735843,(4-chlorophenyl)thiourea,C1=CC(=CC=C1NC(=S)N)Cl,"InChI=1S/C7H7ClN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)",XVEFWRUIYOXUGG-UHFFFAOYSA-N,C7H7ClN2S,186.66,186.0018471,2.4,70.1,143,0,2,1,1,11,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, p-chloro-alpha-methyl-, hydrochloride, (+-)-",3706-38-5,107161,1-(4-chlorophenyl)propan-2-amine;hydrochloride,CC(CC1=CC=C(C=C1)Cl)N.Cl,"InChI=1S/C9H12ClN.ClH/c1-7(11)6-8-2-4-9(10)5-3-8;/h2-5,7H,6,11H2,1H3;1H",DZAANUYJOGCNLL-UHFFFAOYSA-N,C9H13Cl2N,206.11,205.0425048,,26,108,0,2,1,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propanedinitrile, ((3,4-dichlorophenyl)hydrazono)-",3720-55-6,77308,"2-[(3,4-dichlorophenyl)hydrazinylidene]propanedinitrile",C1=CC(=C(C=C1NN=C(C#N)C#N)Cl)Cl,"InChI=1S/C9H4Cl2N4/c10-8-2-1-6(3-9(8)11)14-15-7(4-12)5-13/h1-3,14H",GTVGGHQLKNCAMB-UHFFFAOYSA-N,C9H4Cl2N4,239.06,237.9813015,4.8,72,330,0,1,4,2,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, o-(methylthio)-",10/5/24,19498,2-methylsulfanylbenzoic acid,CSC1=CC=CC=C1C(=O)O,"InChI=1S/C8H8O2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)",LWJQGKJCZOGGPJ-UHFFFAOYSA-N,C8H8O2S,168.21,168.0245007,2,62.6,147,0,1,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Propanone, 1-(4-nitrophenyl)-",3758-70-1,94726,1-(4-nitrophenyl)propan-1-one,CCC(=O)C1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C9H9NO3/c1-2-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3",QHTSEJJUUBOESF-UHFFFAOYSA-N,C9H9NO3,179.17,179.0582431,2.2,62.9,201,0,0,3,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Acetic acid, 2,4-dichlorophenoxy-, lithium salt",3766-27-6,3507855,"lithium 2-(2,4-dichlorophenoxy)acetate",[Li+].C1=CC(=C(C=C1Cl)Cl)OCC(=O)[O-],"InChI=1S/C8H6Cl2O3.Li/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;/h1-3H,4H2,(H,11,12);/q;+1/p-1",WBGFKUKWGNKHTN-UHFFFAOYSA-M,C8H5Cl2LiO3,227,225.9775778,,49.4,191,0,0,3,3,14,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"Benzenethiol, 2,4,5-trichloro-",3773-14-6,19597,"2,4,5-trichlorobenzenethiol",C1=C(C(=CC(=C1Cl)Cl)Cl)S,"InChI=1S/C6H3Cl3S/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H",JARIALSGFXECCH-UHFFFAOYSA-N,C6H3Cl3S,213.5,211.902104,4,1,120,0,1,1,0,10,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cinnamamide, alpha-cyano-p-(dimethylamino)-",3785-87-3,5702492,(E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enamide,CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)N,"InChI=1S/C12H13N3O/c1-15(2)11-5-3-9(4-6-11)7-10(8-13)12(14)16/h3-7H,1-2H3,(H2,14,16)/b10-7+",TVPUSDGUXXMGMH-JXMROGBWSA-N,C12H13N3O,215.25,215.105862,1.7,70.1,329,0,1,3,3,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Malononitrile, (p-hydroxybenzylidene)-",3785-90-8,92970,2-[(4-hydroxyphenyl)methylidene]propanedinitrile,C1=CC(=CC=C1C=C(C#N)C#N)O,"InChI=1S/C10H6N2O/c11-6-9(7-12)5-8-1-3-10(13)4-2-8/h1-5,13H",FNCOVSWSZZVFBQ-UHFFFAOYSA-N,C10H6N2O,170.17,170.0480128,1.8,67.8,275,0,1,3,1,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, methyl ester, (2E)-",3843-74-1,689075,"methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate",COC(=O)/C=C/C1=CC(=C(C=C1)O)O,"InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+",OCNYGKNIVPVPPX-HWKANZROSA-N,C10H10O4,194.18,194.0579088,1.5,66.8,224,0,2,4,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzoic acid, 4-amino-2-chloro-, 2-(diethylamino)ethyl ester, hydrochloride",3858-89-7,441348,2-(diethylamino)ethyl 4-amino-2-chlorobenzoate;hydrochloride,CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)Cl.Cl,"InChI=1S/C13H19ClN2O2.ClH/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14;/h5-6,9H,3-4,7-8,15H2,1-2H3;1H",SZKQYDBPUCZLRX-UHFFFAOYSA-N,C13H20Cl2N2O2,307.21,306.0901833,,55.6,259,0,2,4,7,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butanoic acid, 2,6-dibromo-4-cyanophenyl ester",3861-41-4,62526,"(2,6-dibromo-4-cyanophenyl) butanoate",CCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br,"InChI=1S/C11H9Br2NO2/c1-2-3-10(15)16-11-8(12)4-7(6-14)5-9(11)13/h4-5H,2-3H2,1H3",PGMZYNZXIYOOHJ-UHFFFAOYSA-N,C11H9Br2NO2,347,346.89795,3.6,50.1,288,0,0,3,4,16,,,1,1,1,1,0,0,1,1,0,0,0,0,0,1,0,0,1,1,0,1
"Octanoic acid, (4-cyano-2,6-diiodo)phenyl ester",3861-47-0,19730,"(4-cyano-2,6-diiodophenyl) octanoate",CCCCCCCC(=O)OC1=C(C=C(C=C1I)C#N)I,"InChI=1S/C15H17I2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3",QBEXFUOWUYCXNI-UHFFFAOYSA-N,C15H17I2NO2,497.11,496.93487,5.7,50.1,341,0,0,3,8,20,,,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,1,0,0
"Benzenamine, 3,4-difluoro-",11/4/63,77469,"3,4-difluoroaniline",C1=CC(=C(C=C1N)F)F,"InChI=1S/C6H5F2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2",AXNUZKSSQHTNPZ-UHFFFAOYSA-N,C6H5F2N,129.11,129.0390055,1.6,26,97,0,1,3,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"Methanesulfonanilide, 4'-(1-hydroxy-2-(isopropylamino)ethyl)-",3930-20-9,5253,N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide,CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O,"InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3",ZBMZVLHSJCTVON-UHFFFAOYSA-N,C12H20N2O3S,272.37,272.1194637,0.2,86.8,330,0,3,5,6,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,0
"Benzamide, 2-iodo-",3930-83-4,77529,2-iodobenzamide,C1=CC=C(C(=C1)C(=O)N)I,"InChI=1S/C7H6INO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)",YEOYYWCXWUDVCX-UHFFFAOYSA-N,C7H6INO,247.03,246.94941,0.9,43.1,138,0,1,1,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 2,5-dihydroxy-, ethyl ester",3943-91-7,77548,"ethyl 2,5-dihydroxybenzoate",CCOC(=O)C1=C(C=CC(=C1)O)O,"InChI=1S/C9H10O4/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5,10-11H,2H2,1H3",GCUPAENRSCPHBM-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,2.6,66.8,180,0,2,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, 4-iodo-",7/8/56,77561,4-iodobenzamide,C1=CC(=CC=C1C(=O)N)I,"InChI=1S/C7H6INO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)",XRNBLQCAFWFFPM-UHFFFAOYSA-N,C7H6INO,247.03,246.94941,2,43.1,130,0,1,1,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
p-Toluenearsonic acid,3969-54-8,77588,(4-methylphenyl)arsonic acid,CC1=CC=C(C=C1)[As](=O)(O)O,"InChI=1S/C7H9AsO3/c1-6-2-4-7(5-3-6)8(9,10)11/h2-5H,1H3,(H2,9,10,11)",GODGOGGXLHQPBK-UHFFFAOYSA-N,C7H9AsO3,216.07,215.976764,,57.5,167,0,2,3,1,11,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 2-(1-methylbutyl)-4,6-dinitro-",4097-36-3,20041,"2,4-dinitro-6-pentan-2-ylphenol",CCCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O,"InChI=1S/C11H14N2O5/c1-3-4-7(2)9-5-8(12(15)16)6-10(11(9)14)13(17)18/h5-7,14H,3-4H2,1-2H3",PSOZMUMWCXLRKX-UHFFFAOYSA-N,C11H14N2O5,254.24,254.0902716,4.1,112,312,0,1,5,3,18,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenethylamine, N-methyl-, hydrochloride",4104-43-2,77742,N-methyl-2-phenylethanamine;hydrochloride,CNCCC1=CC=CC=C1.Cl,"InChI=1S/C9H13N.ClH/c1-10-8-7-9-5-3-2-4-6-9;/h2-6,10H,7-8H2,1H3;1H",WIBADEXUNPVVIP-UHFFFAOYSA-N,C9H14ClN,171.67,171.0814771,,12,74,0,2,1,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzonitrile, 3,5-dinitro-",4110-35-4,20062,"3,5-dinitrobenzonitrile",C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C#N,InChI=1S/C7H3N3O4/c8-4-5-1-6(9(11)12)3-7(2-5)10(13)14/h1-3H,SSDNULNTQAUNFQ-UHFFFAOYSA-N,C7H3N3O4,193.12,193.0123556,2.4,115,274,0,0,5,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Salicylic acid, amino-, methyl ester",4136-97-4,77787,methyl 4-amino-2-hydroxybenzoate,COC(=O)C1=C(C=C(C=C1)N)O,"InChI=1S/C8H9NO3/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,10H,9H2,1H3",QQOXBFUTRLDXDP-UHFFFAOYSA-N,C8H9NO3,167.16,167.0582431,1.6,72.6,172,0,2,4,2,12,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzyl alcohol, alpha-(isopropylaminomethyl)-",4164-21-0,20119,1-phenyl-2-(propan-2-ylamino)ethanol,CC(C)NCC(C1=CC=CC=C1)O,"InChI=1S/C11H17NO/c1-9(2)12-8-11(13)10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3",YANYGOBZUASRHR-UHFFFAOYSA-N,C11H17NO,179.26,179.1310142,1.4,32.3,130,0,2,2,4,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Aniline, m-chloro-N-methyl-N-nitroso-",4243-20-3,20236,N-(3-chlorophenyl)-N-methylnitrous amide,CN(C1=CC(=CC=C1)Cl)N=O,"InChI=1S/C7H7ClN2O/c1-10(9-11)7-4-2-3-6(8)5-7/h2-5H,1H3",JHXGWNFJNRHELO-UHFFFAOYSA-N,C7H7ClN2O,170.59,170.0246905,2.4,32.7,142,0,0,3,1,11,,,0,1,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propanol, 1-(o-tolyloxy)-",4317-61-7,107264,1-(2-methylphenoxy)propan-2-ol,CC1=CC=CC=C1OCC(C)O,"InChI=1S/C10H14O2/c1-8-5-3-4-6-10(8)12-7-9(2)11/h3-6,9,11H,7H2,1-2H3",ISIQEWJJVXFCDP-UHFFFAOYSA-N,C10H14O2,166.22,166.0993797,2.5,29.5,125,0,1,2,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"Salicylic acid, 4-(2-iodoacetamido)-",4323-00-6,78017,2-hydroxy-4-[(2-iodoacetyl)amino]benzoic acid,C1=CC(=C(C=C1NC(=O)CI)O)C(=O)O,"InChI=1S/C9H8INO4/c10-4-8(13)11-5-1-2-6(9(14)15)7(12)3-5/h1-3,12H,4H2,(H,11,13)(H,14,15)",QEQAPQHGLVGWMO-UHFFFAOYSA-N,C9H8INO4,321.07,320.94981,2.3,86.6,258,0,3,4,3,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butanoic acid, phenyl ester",4346-18-3,20354,phenyl butanoate,CCCC(=O)OC1=CC=CC=C1,"InChI=1S/C10H12O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3",IGVPBCZDHMIOJH-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,2.7,26.3,137,0,0,2,4,12,,225.00 to 226.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pseudourea, 2-(p-nitrobenzyl)-2-thio-, hydrochloride",4357-96-4,78062,(4-nitrophenyl)methyl carbamimidothioate;hydrochloride,C1=CC(=CC=C1CSC(=N)N)[N+](=O)[O-].Cl,"InChI=1S/C8H9N3O2S.ClH/c9-8(10)14-5-6-1-3-7(4-2-6)11(12)13;/h1-4H,5H2,(H3,9,10);1H",XLXMUFLBCRDKMJ-UHFFFAOYSA-N,C8H10ClN3O2S,247.7,247.0182254,,121,221,0,3,4,3,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"p-Cymene-3-carboxylic acid, 2-hydroxy-",4389-53-1,20413,2-hydroxy-3-methyl-6-propan-2-ylbenzoic acid,CC1=C(C(=C(C=C1)C(C)C)C(=O)O)O,"InChI=1S/C11H14O3/c1-6(2)8-5-4-7(3)10(12)9(8)11(13)14/h4-6,12H,1-3H3,(H,13,14)",ZHLQYPNVDAMSFD-UHFFFAOYSA-N,C11H14O3,194.23,194.0942943,3.1,57.5,213,0,2,3,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Isobutyranilide,4406-41-1,20436,2-methyl-N-phenylpropanamide,CC(C)C(=O)NC1=CC=CC=C1,"InChI=1S/C10H13NO/c1-8(2)10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)",WDRCPKDLZOQCFU-UHFFFAOYSA-N,C10H13NO,163.22,163.099714,1.9,29.1,148,0,1,1,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"Isothiocyanic acid, (alpha-methylbenzyl) ester",4478-92-6,20559,1-isothiocyanatoethylbenzene,CC(C1=CC=CC=C1)N=C=S,"InChI=1S/C9H9NS/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3",QQCJPTVZIZVKEZ-UHFFFAOYSA-N,C9H9NS,163.24,163.0455705,3.5,44.5,155,0,0,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Acetophenone, 2'-amino-3'-hydroxy-",10/7/02,20591,1-(2-amino-3-hydroxyphenyl)ethanone,CC(=O)C1=C(C(=CC=C1)O)N,"InChI=1S/C8H9NO2/c1-5(10)6-3-2-4-7(11)8(6)9/h2-4,11H,9H2,1H3",DIIASMSSGMRMQF-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,1.1,63.3,158,0,2,3,1,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, (p-butoxyphenyl)-",4547-57-3,78304,2-(4-butoxyphenyl)acetic acid,CCCCOC1=CC=C(C=C1)CC(=O)O,"InChI=1S/C12H16O3/c1-2-3-8-15-11-6-4-10(5-7-11)9-12(13)14/h4-7H,2-3,8-9H2,1H3,(H,13,14)",KLJMYYFCWBVKEE-UHFFFAOYSA-N,C12H16O3,208.25,208.1099444,2.8,46.5,183,0,1,3,6,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzeneacetaldehyde, alpha-(hydroxyimino)-, oxime",4589-97-3,135413853,(NZ)-N-[(2E)-2-hydroxyimino-1-phenylethylidene]hydroxylamine,C1=CC=C(C=C1)/C(=N/O)/C=N/O,"InChI=1S/C8H8N2O2/c11-9-6-8(10-12)7-4-2-1-3-5-7/h1-6,11-12H/b9-6+,10-8+",MLXJSLOEWNSWKU-OAMUUVBCSA-N,C8H8N2O2,164.16,164.0585775,1.8,65.2,183,0,2,4,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Salicylamide, N-ethyl-",4611-42-1,78354,N-ethyl-2-hydroxybenzamide,CCNC(=O)C1=CC=CC=C1O,"InChI=1S/C9H11NO2/c1-2-10-9(12)7-5-3-4-6-8(7)11/h3-6,11H,2H2,1H3,(H,10,12)",UHDKXFCUGVGVDP-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,1.7,49.3,159,0,2,2,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzaldehyde, 2,3,6-trichloro-",4659-47-6,20781,"2,3,6-trichlorobenzaldehyde",C1=CC(=C(C(=C1Cl)C=O)Cl)Cl,InChI=1S/C7H3Cl3O/c8-5-1-2-6(9)7(10)4(5)3-11/h1-3H,AURSMWWOMOVHBM-UHFFFAOYSA-N,C7H3Cl3O,209.5,207.924948,3.5,17.1,151,0,0,1,1,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Benzamide, p-aminothio-",4714-67-4,2756559,4-aminobenzenecarbothioamide,C1=CC(=CC=C1C(=S)N)N,"InChI=1S/C7H8N2S/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10)",LZJVSPPXXGXGQL-UHFFFAOYSA-N,C7H8N2S,152.22,152.0408194,1.1,84.1,128,0,2,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Benzoic acid, 5-(aminosulfonyl)-2-chloro-4-fluoro-",4793-24-2,4241546,2-chloro-4-fluoro-5-sulfamoylbenzoic acid,C1=C(C(=CC(=C1S(=O)(=O)N)F)Cl)C(=O)O,"InChI=1S/C7H5ClFNO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)",DDGOQDDPEWYVRD-UHFFFAOYSA-N,C7H5ClFNO4S,253.64,252.9611847,0.7,106,354,0,2,6,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphorothioic acid, O-(4-bromo-2,5-dichlorophenyl) O,O-diethyl ester",4824-78-6,20965,"(4-bromo-2,5-dichlorophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane",CCOP(=S)(OCC)OC1=CC(=C(C=C1Cl)Br)Cl,"InChI=1S/C10H12BrCl2O3PS/c1-3-14-17(18,15-4-2)16-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3",KWGUFOITWDSNQY-UHFFFAOYSA-N,C10H12BrCl2O3PS,394,391.88052,6.1,59.8,301,0,0,4,6,18,,122-133 °C at 0.001 mm Hg,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Biguanide, 1-(p-methoxyphenyl)-, hydrochloride",4838-56-6,11276587,1-(diaminomethylidene)-2-(4-methoxyphenyl)guanidine;hydrochloride,COC1=CC=C(C=C1)N=C(N)N=C(N)N.Cl,"InChI=1S/C9H13N5O.ClH/c1-15-7-4-2-6(3-5-7)13-9(12)14-8(10)11;/h2-5H,1H3,(H6,10,11,12,13,14);1H",GSHFIBZGCAWOEW-UHFFFAOYSA-N,C9H14ClN5O,243.69,243.0886878,,112,251,0,4,2,3,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isothiocyanic acid, 4-methyl-m-phenylene ester",4891-66-1,21008,"2,4-diisothiocyanato-1-methylbenzene",CC1=C(C=C(C=C1)N=C=S)N=C=S,"InChI=1S/C9H6N2S2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3",NNMVCFPMIBOZCL-UHFFFAOYSA-N,C9H6N2S2,206.3,205.9972406,5.1,88.9,265,0,0,4,2,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"Benzoic acid, o-mercapto-, methyl ester",2/8/92,21009,methyl 2-sulfanylbenzoate,COC(=O)C1=CC=CC=C1S,"InChI=1S/C8H8O2S/c1-10-8(9)6-4-2-3-5-7(6)11/h2-5,11H,1H3",BAQGCWNPCFABAY-UHFFFAOYSA-N,C8H8O2S,168.21,168.0245007,1.9,27.3,147,0,1,3,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Anisole, 2-chloro-4-nitro-",4920-79-0,21027,2-chloro-1-methoxy-4-nitrobenzene,COC1=C(C=C(C=C1)[N+](=O)[O-])Cl,"InChI=1S/C7H6ClNO3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,1H3",DLJPNXLHWMRQIQ-UHFFFAOYSA-N,C7H6ClNO3,187.58,187.0036207,2.5,55.1,171,0,0,3,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenethiol, p-(dimethylamino)-",4946-22-9,21061,4-(dimethylamino)benzenethiol,CN(C)C1=CC=C(C=C1)S,"InChI=1S/C8H11NS/c1-9(2)7-3-5-8(10)6-4-7/h3-6,10H,1-2H3",PQSBRHXGVPVYFJ-UHFFFAOYSA-N,C8H11NS,153.25,153.0612205,2.6,4.2,95,0,1,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 1-(m-chlorophenyl)-2-thio-",4947-89-1,2734794,(3-chlorophenyl)thiourea,C1=CC(=CC(=C1)Cl)NC(=S)N,"InChI=1S/C7H7ClN2S/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11)",LSYZRUOXXOTVAV-UHFFFAOYSA-N,C7H7ClN2S,186.66,186.0018471,2.4,70.1,151,0,2,1,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Benzoic acid, p-hydroxy-, methyl ester, sodium deriv.",5026-62-0,23663626,sodium 4-methoxycarbonylphenolate,COC(=O)C1=CC=C(C=C1)[O-].[Na+],"InChI=1S/C8H8O3.Na/c1-11-8(10)6-2-4-7(9)5-3-6;/h2-5,9H,1H3;/q;+1/p-1",PESXGULMKCKJCC-UHFFFAOYSA-M,C8H7NaO3,174.13,174.0292884,,49.4,141,0,0,3,2,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Hydrazinecarboximidamide, 2-((2,6-dichlorophenyl)methylene)-",5051-62-7,5702063,"2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine",C1=CC(=C(C(=C1)Cl)/C=N/N=C(N)N)Cl,"InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+",WDZVGELJXXEGPV-YIXHJXPBSA-N,C8H8Cl2N4,231.08,230.0126017,1.7,76.8,227,0,2,2,2,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Benzylamine, m-methoxy-",5071-96-5,21156,(3-methoxyphenyl)methanamine,COC1=CC=CC(=C1)CN,"InChI=1S/C8H11NO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6,9H2,1H3",GRRIMVWABNHKBX-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,0.9,35.3,95,0,1,2,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, 5-chloro-2-(2-(diethylamino)ethoxy)-",5092-73-9,21166,5-chloro-2-[2-(diethylamino)ethoxy]benzamide,CCN(CC)CCOC1=C(C=C(C=C1)Cl)C(=O)N,"InChI=1S/C13H19ClN2O2/c1-3-16(4-2)7-8-18-12-6-5-10(14)9-11(12)13(15)17/h5-6,9H,3-4,7-8H2,1-2H3,(H2,15,17)",CEXYMSRONVJQSF-UHFFFAOYSA-N,C13H19ClN2O2,270.75,270.1135055,2.7,55.6,259,0,1,3,7,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Acetanilide, 2',4',6'-trimethyl-",5096-21-9,21170,"N-(2,4,6-trimethylphenyl)acetamide",CC1=CC(=C(C(=C1)C)NC(=O)C)C,"InChI=1S/C11H15NO/c1-7-5-8(2)11(9(3)6-7)12-10(4)13/h5-6H,1-4H3,(H,12,13)",LQWWZVZGPVVZOB-UHFFFAOYSA-N,C11H15NO,177.24,177.1153641,1.4,29.1,179,0,1,1,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Butyric acid, 4-(carboxyamino)-, N-benzyl ester",5105-78-2,21184,4-(phenylmethoxycarbonylamino)butanoic acid,C1=CC=C(C=C1)COC(=O)NCCCC(=O)O,"InChI=1S/C12H15NO4/c14-11(15)7-4-8-13-12(16)17-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,16)(H,14,15)",STQMDRQJSNKUAW-UHFFFAOYSA-N,C12H15NO4,237.25,237.100108,1.3,75.6,249,0,2,4,7,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Styrene, p-fluoro-beta-nitro-, (E)-",5153-69-5,5381680,1-fluoro-4-[(E)-2-nitroethenyl]benzene,C1=CC(=CC=C1/C=C/[N+](=O)[O-])F,InChI=1S/C8H6FNO2/c9-8-3-1-7(2-4-8)5-6-10(11)12/h1-6H/b6-5+,VRFSQVFSQAYHRU-AATRIKPKSA-N,C8H6FNO2,167.14,167.0382566,1.9,45.8,180,0,0,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"p-Toluic acid, 3-chloro-",5162-82-3,78840,3-chloro-4-methylbenzoic acid,CC1=C(C=C(C=C1)C(=O)O)Cl,"InChI=1S/C8H7ClO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)",SDKUOEOJAXGCLU-UHFFFAOYSA-N,C8H7ClO2,170.59,170.0134572,3.1,37.3,158,0,1,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetonitrile, (phenylthio)-",5219-61-4,78891,2-phenylsulfanylacetonitrile,C1=CC=C(C=C1)SCC#N,"InChI=1S/C8H7NS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,7H2",QMJWPWCKRKHUNY-UHFFFAOYSA-N,C8H7NS,149.21,149.0299204,2.7,49.1,129,0,0,2,2,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propionic acid, 2-methyl-2-(phenylthio)-",5219-64-7,199886,2-methyl-2-phenylsulfanylpropanoic acid,CC(C)(C(=O)O)SC1=CC=CC=C1,"InChI=1S/C10H12O2S/c1-10(2,9(11)12)13-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,12)",UYGHXQNQIUVOES-UHFFFAOYSA-N,C10H12O2S,196.27,196.0558008,2.6,62.6,183,0,1,3,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-Propanediamine, 2-phenyl-",5257-35-2,199923,"2-phenylpropane-1,2-diamine",CC(CN)(C1=CC=CC=C1)N,"InChI=1S/C9H14N2/c1-9(11,7-10)8-5-3-2-4-6-8/h2-6H,7,10-11H2,1H3",QWTBDURSHGHHTA-UHFFFAOYSA-N,C9H14N2,150.22,150.1156985,0.1,52,119,0,2,2,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 1,2,4-trimethoxy-5-propenyl-, (Z)-",5273-86-9,5281758,"1,2,4-trimethoxy-5-[(Z)-prop-1-enyl]benzene",C/C=C\C1=CC(=C(C=C1OC)OC)OC,"InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5-",RKFAZBXYICVSKP-WAYWQWQTSA-N,C12H16O3,208.25,208.1099444,3,27.7,203,0,0,3,4,15,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Thiocyanic acid, phenyl ester",5285-87-0,21357,phenyl thiocyanate,C1=CC=C(C=C1)SC#N,InChI=1S/C7H5NS/c8-6-9-7-4-2-1-3-5-7/h1-5H,YXCDJKQYFBEAOU-UHFFFAOYSA-N,C7H5NS,135.19,135.0142703,2.5,49.1,118,0,0,2,1,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2-bromo-3-nitro-, methyl ester",9/7/37,79263,methyl 2-bromo-3-nitrobenzoate,COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])Br,"InChI=1S/C8H6BrNO4/c1-14-8(11)5-3-2-4-6(7(5)9)10(12)13/h2-4H,1H3",YUWPKYJCYRFBJT-UHFFFAOYSA-N,C8H6BrNO4,260.04,258.94802,2.4,72.1,240,0,0,4,2,14,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Propanone, 1-(4-methylphenyl)-",5337-93-9,21429,1-(4-methylphenyl)propan-1-one,CCC(=O)C1=CC=C(C=C1)C,"InChI=1S/C10H12O/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3",PATYHUUYADUHQS-UHFFFAOYSA-N,C10H12O,148.2,148.088815,2.6,17.1,132,0,0,1,2,11,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"Propionitrile, phenacylidynetri-",5342-96-1,94805,4-benzoyl-4-(2-cyanoethyl)heptanedinitrile,C1=CC=C(C=C1)C(=O)C(CCC#N)(CCC#N)CCC#N,"InChI=1S/C17H17N3O/c18-12-4-9-17(10-5-13-19,11-6-14-20)16(21)15-7-2-1-3-8-15/h1-3,7-8H,4-6,9-11H2",CJSOIFOTLJQHEY-UHFFFAOYSA-N,C17H17N3O,279.34,279.1371622,1.5,88.4,440,0,0,4,8,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propenoic acid, 3-(2,6-dichlorophenyl)-",5345-89-1,731762,"(E)-3-(2,6-dichlorophenyl)prop-2-enoic acid",C1=CC(=C(C(=C1)Cl)/C=C/C(=O)O)Cl,"InChI=1S/C9H6Cl2O2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,(H,12,13)/b5-4+",OIPVGRCXMFBNAN-SNAWJCMRSA-N,C9H6Cl2O2,217.05,215.9744848,3.1,37.3,206,0,1,2,2,13,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, p-amino-, hydrazide",5351-17-7,21450,4-aminobenzohydrazide,C1=CC(=CC=C1C(=O)NN)N,"InChI=1S/C7H9N3O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,8-9H2,(H,10,11)",WPBZMCGPFHZRHJ-UHFFFAOYSA-N,C7H9N3O,151.17,151.0745619,-0.7,81.1,141,0,3,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Toluene, 5-chloro-2-nitro-",5367-28-2,79329,4-chloro-2-methyl-1-nitrobenzene,CC1=C(C=CC(=C1)Cl)[N+](=O)[O-],"InChI=1S/C7H6ClNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3",NSMZCUAVEOTJDS-UHFFFAOYSA-N,C7H6ClNO2,171.58,171.0087061,3.5,45.8,157,0,0,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-Propanone, 3-(dimethylamino)-2-methyl-1-phenyl-, hydrochloride",5400-92-0,199992,3-(dimethylamino)-2-methyl-1-phenylpropan-1-one;hydrochloride,CC(CN(C)C)C(=O)C1=CC=CC=C1.Cl,"InChI=1S/C12H17NO.ClH/c1-10(9-13(2)3)12(14)11-7-5-4-6-8-11;/h4-8,10H,9H2,1-3H3;1H",GYSQNNVBFRLOQW-UHFFFAOYSA-N,C12H18ClNO,227.73,227.1076919,,20.3,183,0,1,2,4,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenethyl alcohol, p-(tert-butyl)-",5406-86-0,79410,2-(4-tert-butylphenyl)ethanol,CC(C)(C)C1=CC=C(C=C1)CCO,"InChI=1S/C12H18O/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7,13H,8-9H2,1-3H3",NZGMMENPUKHODD-UHFFFAOYSA-N,C12H18O,178.27,178.1357652,3.2,20.2,138,0,1,1,3,13,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,0,0,1,0
m-Toluenearsonic acid,5410-37-7,79425,(3-methylphenyl)arsonic acid,CC1=CC(=CC=C1)[As](=O)(O)O,"InChI=1S/C7H9AsO3/c1-6-3-2-4-7(5-6)8(9,10)11/h2-5H,1H3,(H2,9,10,11)",JEMCDGFTCLWRHL-UHFFFAOYSA-N,C7H9AsO3,216.07,215.976764,,57.5,175,0,2,3,1,11,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneacetic acid, alpha-hydroxy-3-methylbutyl ester",4/5/21,95396,3-methylbutyl 2-hydroxy-2-phenylacetate,CC(C)CCOC(=O)C(C1=CC=CC=C1)O,"InChI=1S/C13H18O3/c1-10(2)8-9-16-13(15)12(14)11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3",KQQXUARABJGCMS-UHFFFAOYSA-N,C13H18O3,222.28,222.1255944,2.9,46.5,207,0,1,3,6,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Arsonic acid, (4-((chloroacetyl)amino)phenyl)-",5425-62-7,21548,[4-[(2-chloroacetyl)amino]phenyl]arsonic acid,C1=CC(=CC=C1NC(=O)CCl)[As](=O)(O)O,"InChI=1S/C8H9AsClNO4/c10-5-8(12)11-7-3-1-6(2-4-7)9(13,14)15/h1-4H,5H2,(H,11,12)(H2,13,14,15)",BWPMHDNLIGQVLN-UHFFFAOYSA-N,C8H9AsClNO4,293.53,292.943605,,86.6,272,0,3,4,3,15,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cinnamaldehyde, alpha-bromo-",5443-49-2,21585,2-bromo-3-phenylprop-2-enal,C1=CC=C(C=C1)C=C(C=O)Br,InChI=1S/C9H7BrO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H,WQRWNOKNRHCLHV-UHFFFAOYSA-N,C9H7BrO,211.05,209.96803,2.7,17.1,157,0,0,1,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetophenone, 2-amino-4'-chloro-, hydrochloride",5467-71-0,2798211,2-amino-1-(4-chlorophenyl)ethanone;hydrochloride,C1=CC(=CC=C1C(=O)CN)Cl.Cl,"InChI=1S/C8H8ClNO.ClH/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-4H,5,10H2;1H",OVKMQHKVUWBLSV-UHFFFAOYSA-N,C8H9Cl2NO,206.07,205.0061193,,43.1,141,0,2,2,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"o-Veratraldehyde, oxime",5470-95-1,95281,"N-[(2,3-dimethoxyphenyl)methylidene]hydroxylamine",COC1=CC=CC(=C1OC)C=NO,"InChI=1S/C9H11NO3/c1-12-8-5-3-4-7(6-10-11)9(8)13-2/h3-6,11H,1-2H3",GKAIQNACVNFHCU-UHFFFAOYSA-N,C9H11NO3,181.19,181.0738932,1.6,51.1,172,0,1,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 3,5-diamino-2,4,6-triiodo-",5505-16-8,21680,"3,5-diamino-2,4,6-triiodobenzoic acid",C1(=C(C(=C(C(=C1I)N)I)N)I)C(=O)O,"InChI=1S/C7H5I3N2O2/c8-2-1(7(13)14)3(9)6(12)4(10)5(2)11/h11-12H2,(H,13,14)",GOQCZMZLABPEME-UHFFFAOYSA-N,C7H5I3N2O2,529.84,529.7485,2,89.3,225,0,3,4,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Propanol, 3-dimethylamino-1-phenyl-",5554-64-3,110665,3-(dimethylamino)-1-phenylpropan-1-ol,CN(C)CCC(C1=CC=CC=C1)O,"InChI=1S/C11H17NO/c1-12(2)9-8-11(13)10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3",VELGOYBSKBKQFF-UHFFFAOYSA-N,C11H17NO,179.26,179.1310142,1.5,23.5,130,0,1,2,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 1-methylpropyl ester",5556-97-8,95570,butan-2-yl benzoate,CCC(C)OC(=O)C1=CC=CC=C1,"InChI=1S/C11H14O2/c1-3-9(2)13-11(12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3",LSLWNAOQPPLHSW-UHFFFAOYSA-N,C11H14O2,178.23,178.0993797,3.7,26.3,159,0,0,2,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenepropanamide, beta-ethyl-beta-hydroxy-",3/3/79,64814,3-hydroxy-3-phenylpentanamide,CCC(CC(=O)N)(C1=CC=CC=C1)O,"InChI=1S/C11H15NO2/c1-2-11(14,8-10(12)13)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3,(H2,12,13)",MOHYRCCDARWQRM-UHFFFAOYSA-N,C11H15NO2,193.24,193.1102787,0.6,63.3,199,0,2,2,4,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"o-Anisamide, 4-amino-5-chloro-N-(2-(diethylamino)ethyl)-, dihydrochloride, monohydrate",5581-45-3,656838,4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;hydrate;dihydrochloride,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl.O.Cl.Cl,"InChI=1S/C14H22ClN3O2.2ClH.H2O/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3;;;/h8-9H,4-7,16H2,1-3H3,(H,17,19);2*1H;1H2",IRQVJPHZDYMXNW-UHFFFAOYSA-N,C14H26Cl3N3O3,390.7,389.103975,,68.6,300,0,5,5,7,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hydrocinnamic acid, 3-(((dimethylamino)methylene)amino)-2,4,6-triiodo-",5587-89-3,5241,"3-[3-(dimethylaminomethylideneamino)-2,4,6-triiodophenyl]propanoic acid",CN(C)C=NC1=C(C=C(C(=C1I)CCC(=O)O)I)I,"InChI=1S/C12H13I3N2O2/c1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19/h5-6H,3-4H2,1-2H3,(H,18,19)",YQNFBOJPTAXAKV-UHFFFAOYSA-N,C12H13I3N2O2,597.96,597.8111,3.3,52.9,339,0,1,3,5,19,,579.8ºC at 760 mmHg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzonitrile, 2,3-dimethoxy-",5653-62-3,21862,"2,3-dimethoxybenzonitrile",COC1=CC=CC(=C1OC)C#N,"InChI=1S/C9H9NO2/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-5H,1-2H3",LBXGBNHUNHWYRM-UHFFFAOYSA-N,C9H9NO2,163.17,163.0633285,1.3,42.3,184,0,0,3,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzeneacetamide, 3,4-dimethoxy-",5663-56-9,79746,"2-(3,4-dimethoxyphenyl)acetamide",COC1=C(C=C(C=C1)CC(=O)N)OC,"InChI=1S/C10H13NO3/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H2,11,12)",CUWOZWFDSYIYHL-UHFFFAOYSA-N,C10H13NO3,195.21,195.0895433,0.3,61.6,196,0,1,3,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Salicylamide, O-acetyl-",5663-71-8,79747,(2-carbamoylphenyl) acetate,CC(=O)OC1=CC=CC=C1C(=O)N,"InChI=1S/C9H9NO3/c1-6(11)13-8-5-3-2-4-7(8)9(10)12/h2-5H,1H3,(H2,10,12)",KGHXFBVYXDFJGG-UHFFFAOYSA-N,C9H9NO3,179.17,179.0582431,0.5,69.4,215,0,1,3,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Hydrocinnamic acid, alpha-ethyl-",5669-16-9,21881,2-benzylbutanoic acid,CCC(CC1=CC=CC=C1)C(=O)O,"InChI=1S/C11H14O2/c1-2-10(11(12)13)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,12,13)",CYVVFWBKWGJMNQ-UHFFFAOYSA-N,C11H14O2,178.23,178.0993797,2.6,37.3,159,0,1,2,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrocinnamic acid, beta-ethyl-",5669-17-0,21882,3-phenylpentanoic acid,CCC(CC(=O)O)C1=CC=CC=C1,"InChI=1S/C11H14O2/c1-2-9(8-11(12)13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,12,13)",NJEKDDOCPZKREE-UHFFFAOYSA-N,C11H14O2,178.23,178.0993797,2.7,37.3,159,0,1,2,4,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 4-((carboxymethyl)amino)-",5698-54-4,225483,4-(carboxymethylamino)benzoic acid,C1=CC(=CC=C1C(=O)O)NCC(=O)O,"InChI=1S/C9H9NO4/c11-8(12)5-10-7-3-1-6(2-4-7)9(13)14/h1-4,10H,5H2,(H,11,12)(H,13,14)",YJEYSNOXMPDLJC-UHFFFAOYSA-N,C9H9NO4,195.17,195.0531578,0.1,86.6,221,0,3,5,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzaldehyde, o-chloro-, 3-thiosemicarbazone",5706-78-5,6864754,[(E)-(2-chlorophenyl)methylideneamino]thiourea,C1=CC=C(C(=C1)/C=N/NC(=S)N)Cl,"InChI=1S/C8H8ClN3S/c9-7-4-2-1-3-6(7)5-11-12-8(10)13/h1-5H,(H3,10,12,13)/b11-5+",ZGPJVXICCFYSRT-VZUCSPMQSA-N,C8H8ClN3S,213.69,213.0127461,1.8,82.5,208,0,2,2,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzonitrile, 2,3-dimethyl-",5724-56-1,79802,"2,3-dimethylbenzonitrile",CC1=C(C(=CC=C1)C#N)C,"InChI=1S/C9H9N/c1-7-4-3-5-9(6-10)8(7)2/h3-5H,1-2H3",ZEDPQIJYJCPIRM-UHFFFAOYSA-N,C9H9N,131.17,131.0734993,2.4,23.8,153,0,0,1,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Acetonitrile, bromophenyl-",5798-79-8,22044,2-bromo-2-phenylacetonitrile,C1=CC=C(C=C1)C(C#N)Br,"InChI=1S/C8H6BrN/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8H",XUHFBOUSHUEAQZ-UHFFFAOYSA-N,C8H6BrN,196.04,194.96836,2.5,23.8,141,0,0,1,1,10,,242 °C @ 760 MM HG,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propiophenone, 2',5'-dimethoxy-",5803-30-5,79865,"1-(2,5-dimethoxyphenyl)propan-1-one",CCC(=O)C1=C(C=CC(=C1)OC)OC,"InChI=1S/C11H14O3/c1-4-10(12)9-7-8(13-2)5-6-11(9)14-3/h5-7H,4H2,1-3H3",DKVCHMQHUMLKPO-UHFFFAOYSA-N,C11H14O3,194.23,194.0942943,2,35.5,191,0,0,3,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzylamine, N-(3-chloropropyl)-N-methyl-, hydrochloride",5814-44-8,24189321,N-benzyl-3-chloro-N-methylpropan-1-amine;hydrochloride,CN(CCCCl)CC1=CC=CC=C1.Cl,"InChI=1S/C11H16ClN.ClH/c1-13(9-5-8-12)10-11-6-3-2-4-7-11;/h2-4,6-7H,5,8-10H2,1H3;1H",SIJFFXGHQCYMPP-UHFFFAOYSA-N,C11H17Cl2N,234.16,233.0738049,,3.2,121,0,1,1,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanol, 2-((4-chloro-3,5-xylyl)oxy)-",5825-79-6,79900,"2-(4-chloro-3,5-dimethylphenoxy)ethanol",CC1=CC(=CC(=C1Cl)C)OCCO,"InChI=1S/C10H13ClO2/c1-7-5-9(13-4-3-12)6-8(2)10(7)11/h5-6,12H,3-4H2,1-2H3",UZXFXOSXXYLVMI-UHFFFAOYSA-N,C10H13ClO2,200.66,200.0604073,2.6,29.5,140,0,1,2,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphorothioic acid, O-(4-chloro-3-nitrophenyl) O,O-dimethyl ester",5826-76-6,201362,(4-chloro-3-nitrophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane,COP(=S)(OC)OC1=CC(=C(C=C1)Cl)[N+](=O)[O-],"InChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-6-3-4-7(9)8(5-6)10(11)12/h3-5H,1-2H3",UFNIXJPHHIPRFX-UHFFFAOYSA-N,C8H9ClNO5PS,297.65,296.9627583,3.5,106,318,0,0,6,4,17,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Mesitol, alpha(sup 2),alpha(sup 6)-dichloro-",5862-32-8,22146,"2,6-bis(chloromethyl)-4-methylphenol",CC1=CC(=C(C(=C1)CCl)O)CCl,"InChI=1S/C9H10Cl2O/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-3,12H,4-5H2,1H3",NUSAOAJCGJSAIU-UHFFFAOYSA-N,C9H10Cl2O,205.08,204.0108703,2.7,20.2,126,0,1,1,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 3-amino-4-propoxy-, 2-(diethylamino)ethyl ester, hydrochloride",6/9/75,517321,2-(diethylamino)ethyl 3-amino-4-propoxybenzoate;hydrochloride,CCCOC1=C(C=C(C=C1)C(=O)OCCN(CC)CC)N.Cl,"InChI=1S/C16H26N2O3.ClH/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3;/h7-8,12H,4-6,9-11,17H2,1-3H3;1H",BFUUJUGQJUTPAF-UHFFFAOYSA-N,C16H27ClN2O3,330.8,330.1710204,,64.8,295,0,2,5,10,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Glycine, N-(2-(diethylamino)ethyl)-2-phenyl-, isopentyl ester, dihydrochloride",5892-41-1,23724817,3-methylbutyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate;dihydrochloride,CCN(CC)CCNC(C1=CC=CC=C1)C(=O)OCCC(C)C.Cl.Cl,"InChI=1S/C19H32N2O2.2ClH/c1-5-21(6-2)14-13-20-18(17-10-8-7-9-11-17)19(22)23-15-12-16(3)4;;/h7-11,16,18,20H,5-6,12-15H2,1-4H3;2*1H",ZHRVNCCPAKIGRH-UHFFFAOYSA-N,C19H34Cl2N2O2,393.4,392.1997337,,41.6,310,0,3,4,12,25,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 2-methoxy-4-propenyl-, (Z)-",5912-86-7,1549041,2-methoxy-4-[(Z)-prop-1-enyl]phenol,C/C=C\C1=CC(=C(C=C1)O)OC,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3-",BJIOGJUNALELMI-ARJAWSKDSA-N,C10H12O2,164.2,164.0837296,2.6,29.5,154,0,1,2,2,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Benzoic acid, p-bromo-, hydrazide",5933-32-4,22219,4-bromobenzohydrazide,C1=CC(=CC=C1C(=O)NN)Br,"InChI=1S/C7H7BrN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11)",UYIMBYKIIMYFPS-UHFFFAOYSA-N,C7H7BrN2O,215.05,213.97418,1.3,55.1,143,0,2,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, 3,4,5-trimethoxy-, sulfate",5967-42-0,71609,"sulfuric acid;2-(3,4,5-trimethoxyphenyl)ethanamine",COC1=CC(=CC(=C1OC)OC)CCN.OS(=O)(=O)O,"InChI=1S/C11H17NO3.H2O4S/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3;1-5(2,3)4/h6-7H,4-5,12H2,1-3H3;(H2,1,2,3,4)",AEEOQROQKAFCJB-UHFFFAOYSA-N,C11H19NO7S,309.34,309.0882231,,137,245,0,3,8,5,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzyl alcohol, p-hydroxy-alpha-((methylamino)methyl)-, hydrochloride",5985-28-4,42609626,4-[1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride,CNCC(C1=CC=C(C=C1)O)O.Cl,"InChI=1S/C9H13NO2.ClH/c1-10-6-9(12)7-2-4-8(11)5-3-7;/h2-5,9-12H,6H2,1H3;1H",COTCEGYSNTWJQV-UHFFFAOYSA-N,C9H14ClNO2,203.66,203.0713064,,52.5,122,0,4,3,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cinnamic acid, 2,4-dichloro-alpha-cyano-",5/4/13,5715261,"(E)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enoic acid",C1=CC(=C(C=C1Cl)Cl)/C=C(\C#N)/C(=O)O,"InChI=1S/C10H5Cl2NO2/c11-8-2-1-6(9(12)4-8)3-7(5-13)10(14)15/h1-4H,(H,14,15)/b7-3+",KVTSTCHYBUYVBA-XVNBXDOJSA-N,C10H5Cl2NO2,242.05,240.9697338,2.3,61.1,332,0,1,3,2,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Malononitrile, (phenylazo)-",6017-21-6,22347,2-phenyldiazenylpropanedinitrile,C1=CC=C(C=C1)N=NC(C#N)C#N,"InChI=1S/C9H6N4/c10-6-9(7-11)13-12-8-4-2-1-3-5-8/h1-5,9H",KLMBASWITNCMTF-UHFFFAOYSA-N,C9H6N4,170.17,170.0592462,2.7,72.3,254,0,0,4,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, p-(2-(dimethylamino)ethyl)-, hydrochloride",6027-23-2,165396,4-[2-(dimethylamino)ethyl]phenol;hydrochloride,CN(C)CCC1=CC=C(C=C1)O.Cl,"InChI=1S/C10H15NO.ClH/c1-11(2)8-7-9-3-5-10(12)6-4-9;/h3-6,12H,7-8H2,1-2H3;1H",KIZRJFIRFPIRFS-UHFFFAOYSA-N,C10H16ClNO,201.69,201.0920418,,23.5,117,0,2,2,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Salicylic acid, dihydrogen phosphate",6064-83-1,3418,2-phosphonooxybenzoic acid,C1=CC=C(C(=C1)C(=O)O)OP(=O)(O)O,"InChI=1S/C7H7O6P/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h1-4H,(H,8,9)(H2,10,11,12)",FFKUDWZICMJVPA-UHFFFAOYSA-N,C7H7O6P,218.1,217.9980249,0,104,259,0,3,6,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenesulfonic acid, 1-methylethyl ester",6214-18-2,12441430,propan-2-yl benzenesulfonate,CC(C)OS(=O)(=O)C1=CC=CC=C1,"InChI=1S/C9H12O3S/c1-8(2)12-13(10,11)9-6-4-3-5-7-9/h3-8H,1-2H3",YQZZXXKFKTWDPY-UHFFFAOYSA-N,C9H12O3S,200.26,200.0507154,2,51.8,232,0,0,3,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbanilic acid, 1,1-dimethyl-2-propynyl ester",6289-19-6,22717,2-methylbut-3-yn-2-yl N-phenylcarbamate,CC(C)(C#C)OC(=O)NC1=CC=CC=C1,"InChI=1S/C12H13NO2/c1-4-12(2,3)15-11(14)13-10-8-6-5-7-9-10/h1,5-9H,2-3H3,(H,13,14)",ULBSSUIJJSCNPA-UHFFFAOYSA-N,C12H13NO2,203.24,203.0946287,2.2,38.3,269,0,1,2,4,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Salicylic acid, 5-amino-, hydrochloride",6291-36-7,201587,5-amino-2-hydroxybenzoic acid;hydrochloride,C1=CC(=C(C=C1N)C(=O)O)O.Cl,"InChI=1S/C7H7NO3.ClH/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3,9H,8H2,(H,10,11);1H",KKRSNTURHSOKTM-UHFFFAOYSA-N,C7H8ClNO3,189.59,189.0192708,,83.6,160,0,4,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenesulfonamide, 2,5-dimethyl-",6292-58-6,222871,"2,5-dimethylbenzenesulfonamide",CC1=CC(=C(C=C1)C)S(=O)(=O)N,"InChI=1S/C8H11NO2S/c1-6-3-4-7(2)8(5-6)12(9,10)11/h3-5H,1-2H3,(H2,9,10,11)",STZQAGJQPZCAED-UHFFFAOYSA-N,C8H11NO2S,185.25,185.0510498,1.2,68.5,242,0,1,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrazine, (o-nitrophenyl)-, hydrochloride",6293-87-4,5743520,(2-nitrophenyl)hydrazine;hydrochloride,C1=CC=C(C(=C1)NN)[N+](=O)[O-].Cl,"InChI=1S/C6H7N3O2.ClH/c7-8-5-3-1-2-4-6(5)9(10)11;/h1-4,8H,7H2;1H",XCUBVSAYUSFHNN-UHFFFAOYSA-N,C6H8ClN3O2,189.6,189.0305042,,83.9,145,0,3,4,1,12,,,0,1,1,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"Phenol, p-chloro-m-trifluoromethyl-",6294-93-5,80520,4-chloro-3-(trifluoromethyl)phenol,C1=CC(=C(C=C1O)C(F)(F)F)Cl,"InChI=1S/C7H4ClF3O/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3,12H",ZLFPIEUWXNRPNM-UHFFFAOYSA-N,C7H4ClF3O,196.55,195.9902769,3.8,20.2,159,0,1,4,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanone, 2-chloro-1-(4-hydroxyphenyl)-",6305-04-0,80557,2-chloro-1-(4-hydroxyphenyl)ethanone,C1=CC(=CC=C1C(=O)CCl)O,"InChI=1S/C8H7ClO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2",PPPIAEPDQPCIIM-UHFFFAOYSA-N,C8H7ClO2,170.59,170.0134572,2.2,37.3,139,0,1,2,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Benzoic acid, 2-chloro-5-nitro-, methyl ester",6307-82-0,22754,methyl 2-chloro-5-nitrobenzoate,COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl,"InChI=1S/C8H6ClNO4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/h2-4H,1H3",VCYWZLGOWNCJNJ-UHFFFAOYSA-N,C8H6ClNO4,215.59,214.9985354,2.4,72.1,240,0,0,4,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Salicylamide, bromo-",6329-74-4,72876,5-bromo-2-hydroxybenzamide,C1=CC(=C(C=C1Br)C(=O)N)O,"InChI=1S/C7H6BrNO2/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3,10H,(H2,9,11)",MRMOPHYFXXZTFN-UHFFFAOYSA-N,C7H6BrNO2,216.03,214.95819,2.6,63.3,163,0,2,2,1,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Acetic acid, 2-(2-methoxy-4-(2-propenyl)phenoxy)-",6331-61-9,235909,2-(2-methoxy-4-prop-2-enylphenoxy)acetic acid,COC1=C(C=CC(=C1)CC=C)OCC(=O)O,"InChI=1S/C12H14O4/c1-3-4-9-5-6-10(11(7-9)15-2)16-8-12(13)14/h3,5-7H,1,4,8H2,2H3,(H,13,14)",FQBPCNCFOCPCJP-UHFFFAOYSA-N,C12H14O4,222.24,222.0892089,2.1,55.8,239,0,1,4,6,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Urea, 1-butyl-3-phenyl-2-thio-",1/2/36,3034183,1-butyl-3-phenylthiourea,CCCCNC(=S)NC1=CC=CC=C1,"InChI=1S/C11H16N2S/c1-2-3-9-12-11(14)13-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,12,13,14)",MXLMUGKRDLWVJZ-UHFFFAOYSA-N,C11H16N2S,208.33,208.1034197,2.3,56.2,165,0,2,1,4,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 2-propenyl-",6380-21-8,93029,2-prop-1-enylphenol,CC=CC1=CC=CC=C1O,"InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-7,10H,1H3",WHGXZPQWZJUGEP-UHFFFAOYSA-N,C9H10O,134.17,134.0731649,2.6,20.2,118,0,1,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Sulfanilic acid, N-(amidinoamidino)-",6405-80-7,80819,4-[[amino-(diaminomethylideneamino)methylidene]amino]benzenesulfonic acid,C1=CC(=CC=C1N=C(N)N=C(N)N)S(=O)(=O)O,"InChI=1S/C8H11N5O3S/c9-7(10)13-8(11)12-5-1-3-6(4-2-5)17(14,15)16/h1-4H,(H,14,15,16)(H6,9,10,11,12,13)",MURZSIQUBHOHPQ-UHFFFAOYSA-N,C8H11N5O3S,257.27,257.0582604,-1.4,166,413,0,4,4,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propanol, 1-(2-allyloxyphenoxy)-3-(isopropylamino)-",6452-71-7,4631,1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol,CC(C)NCC(COC1=CC=CC=C1OCC=C)O,"InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3",CEMAWMOMDPGJMB-UHFFFAOYSA-N,C15H23NO3,265.35,265.1677936,2.1,50.7,246,0,2,4,9,19,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Sulfone, 2-chloroethyl p-nitrophenyl",6461-63-8,80935,1-(2-chloroethylsulfonyl)-4-nitrobenzene,C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)CCCl,"InChI=1S/C8H8ClNO4S/c9-5-6-15(13,14)8-3-1-7(2-4-8)10(11)12/h1-4H,5-6H2",XJTIHTHZQXELBZ-UHFFFAOYSA-N,C8H8ClNO4S,249.67,248.9862566,1.9,88.3,311,0,0,4,3,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Benzyl alcohol, o-butoxy-",6513-49-1,23014,(2-butoxyphenyl)methanol,CCCCOC1=CC=CC=C1CO,"InChI=1S/C11H16O2/c1-2-3-8-13-11-7-5-4-6-10(11)9-12/h4-7,12H,2-3,8-9H2,1H3",XHMKGDUAGDFSHL-UHFFFAOYSA-N,C11H16O2,180.24,180.1150297,2.4,29.5,125,0,1,2,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, p-hydroxy-, pentyl ester",6521-29-5,23019,pentyl 4-hydroxybenzoate,CCCCCOC(=O)C1=CC=C(C=C1)O,"InChI=1S/C12H16O3/c1-2-3-4-9-15-12(14)10-5-7-11(13)8-6-10/h5-8,13H,2-4,9H2,1H3",ZNSSPLQZSUWFJT-UHFFFAOYSA-N,C12H16O3,208.25,208.1099444,3.8,46.5,183,0,1,3,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Phosphoric acid, dimethyl 4-(methylthio)-m-tolyl ester",12/1/52,23046,dimethyl (3-methyl-4-methylsulfanylphenyl) phosphate,CC1=C(C=CC(=C1)OP(=O)(OC)OC)SC,"InChI=1S/C10H15O4PS/c1-8-7-9(5-6-10(8)16-4)14-15(11,12-2)13-3/h5-7H,1-4H3",ZNRZGJAHNMGWQN-UHFFFAOYSA-N,C10H15O4PS,262.26,262.0428671,2.4,70.1,253,0,0,5,5,16,,,1,1,1,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,1,0
"p-Cresol, 2-bromo-",6627-55-0,23109,2-bromo-4-methylphenol,CC1=CC(=C(C=C1)O)Br,"InChI=1S/C7H7BrO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3",MTIDYGLTAOZOGU-UHFFFAOYSA-N,C7H7BrO,187.03,185.96803,2.4,20.2,94,0,1,1,0,9,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 2-(cyanomethyl)-",6627-91-4,81114,2-(cyanomethyl)benzoic acid,C1=CC=C(C(=C1)CC#N)C(=O)O,"InChI=1S/C9H7NO2/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4H,5H2,(H,11,12)",AGXBHBJDSLZGAP-UHFFFAOYSA-N,C9H7NO2,161.16,161.0476785,1.8,61.1,216,0,1,3,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetanilide, 4'-(2-hydroxy-3-(isopropylamino)propoxy)-",6673-35-4,4883,N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide,CC(C)NCC(COC1=CC=C(C=C1)NC(=O)C)O,"InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)",DURULFYMVIFBIR-UHFFFAOYSA-N,C14H22N2O3,266.34,266.1630426,0.8,70.6,263,0,3,4,7,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1,0,1,0
"o-Toluamide, N-(carbamoylmethyl)-",6754-94-5,201757,N-(2-amino-2-oxoethyl)-2-methylbenzamide,CC1=CC=CC=C1C(=O)NCC(=O)N,"InChI=1S/C10H12N2O2/c1-7-4-2-3-5-8(7)10(14)12-6-9(11)13/h2-5H,6H2,1H3,(H2,11,13)(H,12,14)",FYGDRFCJOTYIQM-UHFFFAOYSA-N,C10H12N2O2,192.21,192.0898776,0,72.2,228,0,2,2,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,6-Cresotic acid, 3-tert-butyl-",3/8/34,23361,3-tert-butyl-2-hydroxy-6-methylbenzoic acid,CC1=C(C(=C(C=C1)C(C)(C)C)O)C(=O)O,"InChI=1S/C12H16O3/c1-7-5-6-8(12(2,3)4)10(13)9(7)11(14)15/h5-6,13H,1-4H3,(H,14,15)",JXQCUCDXLSGQNZ-UHFFFAOYSA-N,C12H16O3,208.25,208.1099444,3.7,57.5,242,0,2,3,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzonitrile, m-bromo-",6952-59-6,23381,3-bromobenzonitrile,C1=CC(=CC(=C1)Br)C#N,InChI=1S/C7H4BrN/c8-7-3-1-2-6(4-7)5-9/h1-4H,STXAVEHFKAXGOX-UHFFFAOYSA-N,C7H4BrN,182.02,180.95271,1.8,23.8,135,0,0,1,0,9,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzaldehyde, p-amino thiosemicarbazone",6957-91-1,3001280,[(4-aminophenyl)methylideneamino]thiourea,C1=CC(=CC=C1C=NNC(=S)N)N,"InChI=1S/C8H10N4S/c9-7-3-1-6(2-4-7)5-11-12-8(10)13/h1-5H,9H2,(H3,10,12,13)",MYWZDHHBMWNLCN-UHFFFAOYSA-N,C8H10N4S,194.26,194.0626175,1.4,109,196,0,3,3,2,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Cinnamamide, N-(2-hydroxyethyl)-",6961-46-2,1550874,(E)-N-(2-hydroxyethyl)-3-phenylprop-2-enamide,C1=CC=C(C=C1)/C=C/C(=O)NCCO,"InChI=1S/C11H13NO2/c13-9-8-12-11(14)7-6-10-4-2-1-3-5-10/h1-7,13H,8-9H2,(H,12,14)/b7-6+",OSCTXCOERRNGLW-VOTSOKGWSA-N,C11H13NO2,191.23,191.0946287,0.9,49.3,195,0,2,2,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propionic acid, 2-(2,5-dichlorophenoxy)-",6965-71-5,97971,"2-(2,5-dichlorophenoxy)propanoic acid",CC(C(=O)O)OC1=C(C=CC(=C1)Cl)Cl,"InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-4-6(10)2-3-7(8)11/h2-5H,1H3,(H,12,13)",LDRYOEIGQCIMEK-UHFFFAOYSA-N,C9H8Cl2O3,235.06,233.9850495,3.4,46.5,210,0,1,3,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propenoic acid, 3-(2,4-dimethoxyphenyl)-",6972-61-8,734009,"(E)-3-(2,4-dimethoxyphenyl)prop-2-enoic acid",COC1=CC(=C(C=C1)/C=C/C(=O)O)OC,"InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)10(7-9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+",YIKHDPHTFYWYJV-GQCTYLIASA-N,C11H12O4,208.21,208.0735589,1.8,55.8,237,0,1,4,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzene, 1-chloro-3,5-dimethoxy-",7051-16-3,81502,"1-chloro-3,5-dimethoxybenzene",COC1=CC(=CC(=C1)Cl)OC,"InChI=1S/C8H9ClO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3",WQHNWJBSROXROL-UHFFFAOYSA-N,C8H9ClO2,172.61,172.0291072,3.1,18.5,107,0,0,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Salicylamide, thio-",7133-90-6,2759342,2-hydroxybenzenecarbothioamide,C1=CC=C(C(=C1)C(=S)N)O,"InChI=1S/C7H7NOS/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)",JFYIBFCXQUDFQE-UHFFFAOYSA-N,C7H7NOS,153.2,153.024835,1.9,78.3,138,0,2,2,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-Propanediol, 3-(6-chloro-o-tolyloxy)-",7149-83-9,98050,"3-(2-chloro-6-methylphenoxy)propane-1,2-diol",CC1=C(C(=CC=C1)Cl)OCC(CO)O,"InChI=1S/C10H13ClO3/c1-7-3-2-4-9(11)10(7)14-6-8(13)5-12/h2-4,8,12-13H,5-6H2,1H3",MEVXADNQQUNQKB-UHFFFAOYSA-N,C10H13ClO3,216.66,216.055322,1.6,49.7,165,0,2,3,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Aniline, N,N-dimethyl-p-thiocyanato-",7152-80-9,23540,[4-(dimethylamino)phenyl] thiocyanate,CN(C)C1=CC=C(C=C1)SC#N,"InChI=1S/C9H10N2S/c1-11(2)8-3-5-9(6-4-8)12-7-10/h3-6H,1-2H3",WCCIEZDFRJREQJ-UHFFFAOYSA-N,C9H10N2S,178.26,178.0564695,2.6,52.3,174,0,0,3,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Triazene, 3,3-dimethyl-1-(p-methylphenyl)-",7203-89-6,81618,N-methyl-N-[(4-methylphenyl)diazenyl]methanamine,CC1=CC=C(C=C1)N=NN(C)C,"InChI=1S/C9H13N3/c1-8-4-6-9(7-5-8)10-11-12(2)3/h4-7H,1-3H3",PSNZDNVJMNLFKA-UHFFFAOYSA-N,C9H13N3,163.22,163.1109474,3.5,28,146,0,0,3,2,12,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propanediamide, 2-ethyl-2-phenyl-",7206-76-0,23611,2-ethyl-2-phenylpropanediamide,CCC(C1=CC=CC=C1)(C(=O)N)C(=O)N,"InChI=1S/C11H14N2O2/c1-2-11(9(12)14,10(13)15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,14)(H2,13,15)",JFZHPFOXAAIUMB-UHFFFAOYSA-N,C11H14N2O2,206.24,206.1055277,0.1,86.2,243,0,2,2,4,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"o-Anisamide, 4-amino-5-chloro-N-(2-(diethylamino)ethyl)-, monohydrochloride",7232-21-5,441347,4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;hydrate;hydrochloride,CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl.O.Cl,"InChI=1S/C14H22ClN3O2.ClH.H2O/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3;;/h8-9H,4-7,16H2,1-3H3,(H,17,19);1H;1H2",KJBLQGHJOCAOJP-UHFFFAOYSA-N,C14H25Cl2N3O3,354.3,353.1272971,,68.6,300,0,4,5,7,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"D-Glucitol, 1-deoxy-1-(methylamino)-, 3-acetamido-5-(N-methylacetamido)-2,4,6-triiodobenzoate (salt)",11/4/41,10056264,"3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol",CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)N(C)C(=O)C)I.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,"InChI=1S/C12H11I3N2O4.C7H17NO5/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-3H3,(H,16,18)(H,20,21);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1",TXKOGNLDVKUFSI-WZTVWXICSA-N,C19H28I3N3O9,823.2,822.896,,200,582,0,8,10,9,34,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1-Propanol, 3-(m-methoxyphenyl)-",7252-82-6,96130,3-(3-methoxyphenyl)propan-1-ol,COC1=CC=CC(=C1)CCCO,"InChI=1S/C10H14O2/c1-12-10-6-2-4-9(8-10)5-3-7-11/h2,4,6,8,11H,3,5,7H2,1H3",XOBQNLCSYCFLQG-UHFFFAOYSA-N,C10H14O2,166.22,166.0993797,2.2,29.5,114,0,1,2,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Valeranilide, 4'-chloro-2,2-dimethyl-",7287-36-7,23715,"N-(4-chlorophenyl)-2,2-dimethylpentanamide",CCCC(C)(C)C(=O)NC1=CC=C(C=C1)Cl,"InChI=1S/C13H18ClNO/c1-4-9-13(2,3)12(16)15-11-7-5-10(14)6-8-11/h5-8H,4,9H2,1-3H3,(H,15,16)",KXGYBSNVFXBPNO-UHFFFAOYSA-N,C13H18ClNO,239.74,239.1076919,3.8,29.1,232,0,1,1,4,16,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Toluene, alpha-chloro-3,4-dimethoxy-",7306-46-9,81740,"4-(chloromethyl)-1,2-dimethoxybenzene",COC1=C(C=C(C=C1)CCl)OC,"InChI=1S/C9H11ClO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6H2,1-2H3",WWHJLVMBXXXUFO-UHFFFAOYSA-N,C9H11ClO2,186.63,186.0447573,1.9,18.5,130,0,0,2,3,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,1
"Propionic acid, 2-(o-methoxyphenoxy)-",7309-51-5,202020,2-(2-methoxyphenoxy)propanoic acid,CC(C(=O)O)OC1=CC=CC=C1OC,"InChI=1S/C10H12O4/c1-7(10(11)12)14-9-6-4-3-5-8(9)13-2/h3-7H,1-2H3,(H,11,12)",OPYAFQUFAKCNPN-UHFFFAOYSA-N,C10H12O4,196.2,196.0735589,1.9,55.8,193,0,1,4,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1-allyl-3-phenyl-2-thio-",7341-63-1,1549745,1-phenyl-3-prop-2-enylthiourea,C=CCNC(=S)NC1=CC=CC=C1,"InChI=1S/C10H12N2S/c1-2-8-11-10(13)12-9-6-4-3-5-7-9/h2-7H,1,8H2,(H2,11,12,13)",RJTICPGQFMYYEG-UHFFFAOYSA-N,C10H12N2S,192.28,192.0721196,2.2,56.2,174,0,2,1,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, (2,5-dimethylphenoxy)-",7356-41-4,81817,"2-(2,5-dimethylphenoxy)acetic acid",CC1=CC(=C(C=C1)C)OCC(=O)O,"InChI=1S/C10H12O3/c1-7-3-4-8(2)9(5-7)13-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)",RSJMMLSDGNQOEO-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,2.3,46.5,179,0,1,3,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzene, 3-(chloromethyl)-1,2,4,5-tetramethyl-",7435-83-8,81939,"3-(chloromethyl)-1,2,4,5-tetramethylbenzene",CC1=CC(=C(C(=C1C)CCl)C)C,"InChI=1S/C11H15Cl/c1-7-5-8(2)10(4)11(6-12)9(7)3/h5H,6H2,1-4H3",UGAPPXGBBWAIGT-UHFFFAOYSA-N,C11H15Cl,182.69,182.0862282,4.6,0,130,0,0,0,1,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"Propiophenone, 3',4'-dihydroxy-",7451-98-1,96267,"1-(3,4-dihydroxyphenyl)propan-1-one",CCC(=O)C1=CC(=C(C=C1)O)O,"InChI=1S/C9H10O3/c1-2-7(10)6-3-4-8(11)9(12)5-6/h3-5,11-12H,2H2,1H3",HNWIHBDMOYWCGX-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,2,57.5,167,0,2,3,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"o-Anisic acid, hydrazide",7466-54-8,24051,2-methoxybenzohydrazide,COC1=CC=CC=C1C(=O)NN,"InChI=1S/C8H10N2O2/c1-12-7-5-3-2-4-6(7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)",QMGXWNSSMGAHCA-UHFFFAOYSA-N,C8H10N2O2,166.18,166.0742276,0.2,64.4,161,0,2,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonic acid, (o-aminophenyl)-",7472-16-4,101237,(2-aminophenyl)phosphonic acid,C1=CC=C(C(=C1)N)P(=O)(O)O,"InChI=1S/C6H8NO3P/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)",BMYBKYQDGKGCSU-UHFFFAOYSA-N,C6H8NO3P,173.11,173.0241801,-0.2,83.6,179,0,3,4,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"o-Toluic acid, 3-chloro-",8/3/99,82010,3-chloro-2-methylbenzoic acid,CC1=C(C=CC=C1Cl)C(=O)O,"InChI=1S/C8H7ClO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11)",HXGHMCLCSPQMOR-UHFFFAOYSA-N,C8H7ClO2,170.59,170.0134572,2.4,37.3,158,0,1,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, o-(methylamino)-",7505-81-9,101222,2-(methylamino)benzamide,CNC1=CC=CC=C1C(=O)N,"InChI=1S/C8H10N2O/c1-10-7-5-3-2-4-6(7)8(9)11/h2-5,10H,1H3,(H2,9,11)",KTDNXQLRLSPQOK-UHFFFAOYSA-N,C8H10N2O,150.18,150.0793129,1.3,55.1,147,0,2,2,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Mandelic acid, 2,4-dichloro-",7554-78-1,24198,"2-(2,4-dichlorophenyl)-2-hydroxyacetic acid",C1=CC(=C(C=C1Cl)Cl)C(C(=O)O)O,"InChI=1S/C8H6Cl2O3/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3,7,11H,(H,12,13)",YBOCBYSVZOREGT-UHFFFAOYSA-N,C8H6Cl2O3,221.03,219.9693994,2.1,57.5,198,0,2,3,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2',6'-Acetoxylidide, 2-(ethylamino)-",7728-40-7,24415,"N-(2,6-dimethylphenyl)-2-(ethylamino)acetamide",CCNCC(=O)NC1=C(C=CC=C1C)C,"InChI=1S/C12H18N2O/c1-4-13-8-11(15)14-12-9(2)6-5-7-10(12)3/h5-7,13H,4,8H2,1-3H3,(H,14,15)",WRMRXPASUROZGT-UHFFFAOYSA-N,C12H18N2O,206.28,206.1419132,1.3,41.1,196,0,2,2,4,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetophenone, 4'-methoxy-3'-methyl-",10024-90-5,24806,1-(4-methoxy-3-methylphenyl)ethanone,CC1=C(C=CC(=C1)C(=O)C)OC,"InChI=1S/C10H12O2/c1-7-6-9(8(2)11)4-5-10(7)12-3/h4-6H,1-3H3",SRPCRBVBOIYYHS-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,2.5,26.3,165,0,0,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 4-allyl-2-methoxy-, formate (ester)",10031-96-6,24835,(2-methoxy-4-prop-2-enylphenyl) formate,COC1=C(C=CC(=C1)CC=C)OC=O,"InChI=1S/C11H12O3/c1-3-4-9-5-6-10(14-8-12)11(7-9)13-2/h3,5-8H,1,4H2,2H3",JUTKIGGQRLHTJN-UHFFFAOYSA-N,C11H12O3,192.21,192.0786442,2.3,35.5,191,0,0,3,5,14,,270 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, 2-(2,4-dibromophenoxy)-",10129-78-9,82382,"2-(2,4-dibromophenoxy)acetic acid",C1=CC(=C(C=C1Br)Br)OCC(=O)O,"InChI=1S/C8H6Br2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)",LIIAWXHMVYLFGT-UHFFFAOYSA-N,C8H6Br2O3,309.94,309.86632,2.7,46.5,186,0,1,3,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Glycine, N-(m-nitrophenyl)-",10242-06-5,25089,2-(3-nitroanilino)acetic acid,C1=CC(=CC(=C1)[N+](=O)[O-])NCC(=O)O,"InChI=1S/C8H8N2O4/c11-8(12)5-9-6-2-1-3-7(4-6)10(13)14/h1-4,9H,5H2,(H,11,12)",YWWRLAPJIGCYRN-UHFFFAOYSA-N,C8H8N2O4,196.16,196.0484067,0.4,95.2,226,0,2,5,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzyl alcohol, alpha-((tert-butylamino)methyl)-3,4-dihydroxy-, acetate (salt), (+-)-",10255-14-8,117065306,"acetic acid;4-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diol",CC(=O)O.CC(C)(C)NCC(C1=CC(=C(C=C1)O)O)O,"InChI=1S/C12H19NO3.C2H4O2/c1-12(2,3)13-7-11(16)8-4-5-9(14)10(15)6-8;1-2(3)4/h4-6,11,13-16H,7H2,1-3H3;1H3,(H,3,4)",SVYBIDRTCKRNFA-UHFFFAOYSA-N,C14H23NO5,285.34,285.1576228,,110,246,0,5,6,4,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Anisole, 4-chloro-3-nitro-",10298-80-3,25140,1-chloro-4-methoxy-2-nitrobenzene,COC1=CC(=C(C=C1)Cl)[N+](=O)[O-],"InChI=1S/C7H6ClNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3",HISHUMDTGXICEZ-UHFFFAOYSA-N,C7H6ClNO3,187.58,187.0036207,2.2,55.1,171,0,0,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 4-(3-ethenyl-3,7-dimethyl-1,6-octadienyl)-, (S-(E))-",10309-37-2,5468522,"4-[(1E,3S)-3-ethenyl-3,7-dimethylocta-1,6-dienyl]phenol",CC(=CCC[C@@](C)(C=C)/C=C/C1=CC=C(C=C1)O)C,"InChI=1S/C18H24O/c1-5-18(4,13-6-7-15(2)3)14-12-16-8-10-17(19)11-9-16/h5,7-12,14,19H,1,6,13H2,2-4H3/b14-12+/t18-/m1/s1",LFYJSSARVMHQJB-QIXNEVBVSA-N,C18H24O,256.4,256.1827154,6.1,20.2,328,0,1,1,6,19,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, 3-iodo-",10388-19-9,202425,3-iodobenzamide,C1=CC(=CC(=C1)I)C(=O)N,"InChI=1S/C7H6INO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)",HEMYUAPEXJWFCP-UHFFFAOYSA-N,C7H6INO,247.03,246.94941,2.5,43.1,138,0,1,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzenemethanol, 4-chloro-alpha-(1-methylethyl)-",10400-18-7,202426,1-(4-chlorophenyl)-2-methylpropan-1-ol,CC(C)C(C1=CC=C(C=C1)Cl)O,"InChI=1S/C10H13ClO/c1-7(2)10(12)8-3-5-9(11)6-4-8/h3-7,10,12H,1-2H3",IUDYYMMLSPXXSL-UHFFFAOYSA-N,C10H13ClO,184.66,184.0654927,3,20.2,128,0,1,1,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzaldehyde, p-nitro-, dimethylhydrazone",10424-92-7,202444,N-methyl-N-[(4-nitrophenyl)methylideneamino]methanamine,CN(C)N=CC1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C9H11N3O2/c1-11(2)10-7-8-3-5-9(6-4-8)12(13)14/h3-7H,1-2H3",IPBHNKLEYSNEBU-UHFFFAOYSA-N,C9H11N3O2,193.2,193.0851266,2.4,61.4,215,0,0,4,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Malononitrile, 3,5-di-tert-butyl-4-hydroxybenzylidene-",10537-47-0,5614,"2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile",CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C#N,"InChI=1S/C18H22N2O/c1-17(2,3)14-8-12(7-13(10-19)11-20)9-15(16(14)21)18(4,5)6/h7-9,21H,1-6H3",MZOPWQKISXCCTP-UHFFFAOYSA-N,C18H22N2O,282.4,282.1732133,5,67.8,459,0,1,3,3,21,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, N-propyl-",10546-70-0,25354,N-propylbenzamide,CCCNC(=O)C1=CC=CC=C1,"InChI=1S/C10H13NO/c1-2-8-11-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)",DYZWXBMTHNHXML-UHFFFAOYSA-N,C10H13NO,163.22,163.099714,1.7,29.1,139,0,1,1,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Aniline, N-methyl-p-nitroso-",10595-51-4,25417,N-methyl-4-nitrosoaniline,CNC1=CC=C(C=C1)N=O,"InChI=1S/C7H8N2O/c1-8-6-2-4-7(9-10)5-3-6/h2-5,8H,1H3",ZPHCTSKOFFWBHL-UHFFFAOYSA-N,C7H8N2O,136.15,136.0636629,1.6,41.5,108,0,1,3,1,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-Benzenediol, 4-(2-hydroxyethyl)-",10597-60-1,82755,"4-(2-hydroxyethyl)benzene-1,2-diol",C1=CC(=C(C=C1CCO)O)O,"InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2",JUUBCHWRXWPFFH-UHFFFAOYSA-N,C8H10O3,154.16,154.0629942,-0.7,60.7,116,0,3,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Chromium, (benzene)tricarbonyl-",12082-08-5,10954891,benzene;carbon monoxide;chromium,[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=CC=C1.[Cr],InChI=1S/C6H6.3CO.Cr/c1-2-4-6-5-3-1;3*1-2;/h1-6H;;;;,WVSBQYMJNMJHIM-UHFFFAOYSA-N,C9H6CrO3,214.14,213.972199,,3,25,0,0,3,0,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Chromium, tricarbonyl(toluene)-",12083-24-8,11986147,carbon monoxide;chromium(6+);toluene,CC1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr+6],"InChI=1S/C7H8.3CO.Cr/c1-7-5-3-2-4-6-7;3*1-2;/h2-6H,1H3;;;;/q;;;;+6",GPTYFZASYPXJIX-UHFFFAOYSA-N,C10H8CrO3+6,228.16,227.987849,,3,236,6,0,3,0,14,,,0,1,1,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"Benzyl alcohol, alpha-(1-aminoethyl)-p-hydroxy-, hydrochloride",13062-82-3,518687,4-(2-amino-1-hydroxypropyl)phenol;hydrochloride,CC(C(C1=CC=C(C=C1)O)O)N.Cl,"InChI=1S/C9H13NO2.ClH/c1-6(10)9(12)7-2-4-8(11)5-3-7;/h2-6,9,11-12H,10H2,1H3;1H",AYEOOGDUDIHXQE-UHFFFAOYSA-N,C9H14ClNO2,203.66,203.0713064,,66.5,132,0,4,3,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, 3,4-dimethoxy-N-methyl-, hydrochloride",13078-76-7,197910,"2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride",CNCCC1=CC(=C(C=C1)OC)OC.Cl,"InChI=1S/C11H17NO2.ClH/c1-12-7-6-9-4-5-10(13-2)11(8-9)14-3;/h4-5,8,12H,6-7H2,1-3H3;1H",BGEONUMCBIQUTQ-UHFFFAOYSA-N,C11H18ClNO2,231.72,231.1026065,,30.5,152,0,2,3,5,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isophthalamic acid, 5-acetamido-2,4,6-triiodo-N-methyl-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)",13087-53-1,656642,"3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol",CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NC)I.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,"InChI=1S/C11H9I3N2O4.C7H17NO5/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2H3,(H,15,18)(H,16,17)(H,19,20);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1",VLHUSFYMPUDOEL-WZTVWXICSA-N,C18H26I3N3O9,809.1,808.8803,,209,555,0,9,10,9,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Phosphoric acid, 2-bromo-1-(2,4-dichlorophenyl)vinyl dimethyl ester",13104-21-7,25704,"[2-bromo-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate",COP(=O)(OC)OC(=CBr)C1=C(C=C(C=C1)Cl)Cl,"InChI=1S/C10H10BrCl2O4P/c1-15-18(14,16-2)17-10(6-11)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3",LOOAGTDYKNUDBZ-UHFFFAOYSA-N,C10H10BrCl2O4P,375.96,373.88771,2.4,44.8,345,0,0,4,5,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propionamide, 2-chloro-N-phenethyl-",13156-97-3,202720,2-chloro-N-(2-phenylethyl)propanamide,CC(C(=O)NCCC1=CC=CC=C1)Cl,"InChI=1S/C11H14ClNO/c1-9(12)11(14)13-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)",YMKVLIVAWASLAU-UHFFFAOYSA-N,C11H14ClNO,211.69,211.0763918,2.5,29.1,178,0,1,1,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, N-methyl-N-nitroso-",13256-11-6,83271,N-methyl-N-(2-phenylethyl)nitrous amide,CN(CCC1=CC=CC=C1)N=O,"InChI=1S/C9H12N2O/c1-11(10-12)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3",AVESHLVLHJKUKQ-UHFFFAOYSA-N,C9H12N2O,164.2,164.094963,2.1,32.7,132,0,0,3,3,12,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Thiocyanic acid, (p-nitrobenzyl) ester",13287-49-5,83306,(4-nitrophenyl)methyl thiocyanate,C1=CC(=CC=C1CSC#N)[N+](=O)[O-],"InChI=1S/C8H6N2O2S/c9-6-13-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5H2",NUMYTLIHYKESKM-UHFFFAOYSA-N,C8H6N2O2S,194.21,194.0149986,2.6,94.9,222,0,0,4,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-Propenamide, N-(phenylmethyl)-",13304-62-6,139428,N-benzylprop-2-enamide,C=CC(=O)NCC1=CC=CC=C1,"InChI=1S/C10H11NO/c1-2-10(12)11-8-9-6-4-3-5-7-9/h2-7H,1,8H2,(H,11,12)",OHLHOLGYGRKZMU-UHFFFAOYSA-N,C10H11NO,161.2,161.084064,1.5,29.1,159,0,1,1,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetonitrile, (3,4,5-trimethoxyphenyl)-",13338-63-1,25887,"2-(3,4,5-trimethoxyphenyl)acetonitrile",COC1=CC(=CC(=C1OC)OC)CC#N,"InChI=1S/C11H13NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4H2,1-3H3",ACFJNTXCEQCDBX-UHFFFAOYSA-N,C11H13NO3,207.23,207.0895433,1.1,51.5,221,0,0,4,4,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propen-1-one, 3-hydroxy-1-phenyl-, sodium salt",13567-16-3,6374392,sodium (E)-3-oxo-3-phenylprop-1-en-1-olate,C1=CC=C(C=C1)C(=O)/C=C/[O-].[Na+],"InChI=1S/C9H8O2.Na/c10-7-6-9(11)8-4-2-1-3-5-8;/h1-7,10H;/q;+1/p-1/b7-6+;",PEVYPQDPWKPGJN-UHDJGPCESA-M,C9H7NaO2,170.14,170.0343737,,40.1,160,0,0,2,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydroxylamine, O-(alpha-methylbenzyl)-, hydrochloride",13571-10-3,202941,O-(1-phenylethyl)hydroxylamine;hydrochloride,CC(C1=CC=CC=C1)ON.Cl,"InChI=1S/C8H11NO.ClH/c1-7(10-9)8-5-3-2-4-6-8;/h2-7H,9H2,1H3;1H",MFJWCIKWSBBOOV-UHFFFAOYSA-N,C8H12ClNO,173.64,173.0607417,,35.3,89,0,2,2,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propanol, 1-(o-allylphenoxy)-3-(isopropylamino)-, hydrochloride",13707-88-5,66368,1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol;hydrochloride,CC(C)NCC(COC1=CC=CC=C1CC=C)O.Cl,"InChI=1S/C15H23NO2.ClH/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3;/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3;1H",RRCPAXJDDNWJBI-UHFFFAOYSA-N,C15H24ClNO2,285.81,285.1495567,,41.5,231,0,3,3,8,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzonitrile, 2,5-dimethyl-",13730-09-1,83688,"2,5-dimethylbenzonitrile",CC1=CC(=C(C=C1)C)C#N,"InChI=1S/C9H9N/c1-7-3-4-8(2)9(5-7)6-10/h3-5H,1-2H3",OZOQTENKIVKILK-UHFFFAOYSA-N,C9H9N,131.17,131.0734993,2.4,23.8,153,0,0,1,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butyric acid, 2-phenoxy-",13794-14-4,57987,2-phenoxybutanoic acid,CCC(C(=O)O)OC1=CC=CC=C1,"InChI=1S/C10H12O3/c1-2-9(10(11)12)13-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)",TVSPPYGAFOVROT-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,2.4,46.5,162,0,1,3,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Propanediol, 2-(o-methoxyphenoxy)-",14007-09-1,84154,"2-(2-methoxyphenoxy)propane-1,3-diol",COC1=CC=CC=C1OC(CO)CO,"InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-8(6-11)7-12/h2-5,8,11-12H,6-7H2,1H3",DTADPBLDQSWASV-UHFFFAOYSA-N,C10H14O4,198.22,198.0892089,0.3,58.9,147,0,2,4,5,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Cinnamaldehyde, beta,p-dichloro-",14063-77-5,5706406,(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enal,C1=CC(=CC=C1/C(=C/C=O)/Cl)Cl,InChI=1S/C9H6Cl2O/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-6H/b9-5-,IWQMAUVMLFGNGU-UITAMQMPSA-N,C9H6Cl2O,201.05,199.9795702,2.9,17.1,181,0,0,1,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 3-methyl-4-(methylsulfonyl)-",14270-40-7,167048,3-methyl-4-methylsulfonylphenol,CC1=C(C=CC(=C1)O)S(=O)(=O)C,"InChI=1S/C8H10O3S/c1-6-5-7(9)3-4-8(6)12(2,10)11/h3-5,9H,1-2H3",KGPGKOSHODHUSR-UHFFFAOYSA-N,C8H10O3S,186.23,186.0350654,0.6,62.8,240,0,1,3,1,12,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, 2-chloro-N-(3,4-dimethoxyphenethyl)-",14301-31-6,26622,"2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide",COC1=C(C=C(C=C1)CCNC(=O)CCl)OC,"InChI=1S/C12H16ClNO3/c1-16-10-4-3-9(7-11(10)17-2)5-6-14-12(15)8-13/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)",WWBJEBQJHYKQHM-UHFFFAOYSA-N,C12H16ClNO3,257.71,257.0818711,1.6,47.6,238,0,1,3,6,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, N-(alpha-methylphenethyl)-",14383-60-9,26660,N-(1-phenylpropan-2-yl)acetamide,CC(CC1=CC=CC=C1)NC(=O)C,"InChI=1S/C11H15NO/c1-9(12-10(2)13)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,12,13)",YPKBVWZHVTZSPU-UHFFFAOYSA-N,C11H15NO,177.24,177.1153641,1.9,29.1,161,0,1,1,3,13,,,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,1
"Propionic acid, 2-chloro-3-(4-chlorophenyl)-, methyl ester",14437-17-3,26693,methyl 2-chloro-3-(4-chlorophenyl)propanoate,COC(=O)C(CC1=CC=C(C=C1)Cl)Cl,"InChI=1S/C10H10Cl2O2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3",YJKIALIXRCSISK-UHFFFAOYSA-N,C10H10Cl2O2,233.09,232.0057849,3.4,26.3,189,0,0,2,4,14,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, (4-chloro-2-formylphenoxy)-",14440-47-2,26696,2-(4-chloro-2-formylphenoxy)acetic acid,C1=CC(=C(C=C1Cl)C=O)OCC(=O)O,"InChI=1S/C9H7ClO4/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13/h1-4H,5H2,(H,12,13)",VXVIICNFYDEOJG-UHFFFAOYSA-N,C9H7ClO4,214.6,214.0032864,1.6,63.6,219,0,1,4,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, 2-allyloxy-",14520-53-7,84488,2-prop-2-enoxybenzamide,C=CCOC1=CC=CC=C1C(=O)N,"InChI=1S/C10H11NO2/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h2-6H,1,7H2,(H2,11,12)",FZEIWORKISALCO-UHFFFAOYSA-N,C10H11NO2,177.2,177.0789786,1.5,52.3,191,0,1,2,4,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butyrophenone, 2-(2-(diisopropylamino)ethoxy)-, hydrochloride",14549-32-7,26733,2-(1-oxo-1-phenylbutan-2-yl)oxyethyl-di(propan-2-yl)azanium chloride,CCC(C(=O)C1=CC=CC=C1)OCC[NH+](C(C)C)C(C)C.[Cl-],"InChI=1S/C18H29NO2.ClH/c1-6-17(18(20)16-10-8-7-9-11-16)21-13-12-19(14(2)3)15(4)5;/h7-11,14-15,17H,6,12-13H2,1-5H3;1H",PDTNJULAMCAUDW-UHFFFAOYSA-N,C18H30ClNO2,327.9,327.1965069,,30.7,288,0,1,3,9,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"1-Propanol, 3-amino-3-phenyl-",14593-04-5,203500,3-amino-3-phenylpropan-1-ol,C1=CC=C(C=C1)C(CCO)N,"InChI=1S/C9H13NO/c10-9(6-7-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2",SEQXIQNPMQTBGN-UHFFFAOYSA-N,C9H13NO,151.21,151.099714,0.5,46.3,99,0,2,2,3,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzyl alcohol, 3,4-dihydroxy-alpha-((isopropylamino)methyl)-, (+)-, (+)-tartrate (1:1) (salt)",14638-70-1,2724018,"(2R,3R)-2,3-dihydroxybutanedioic acid;4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol",CC(C)NC[C@H](C1=CC(=C(C=C1)O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C11H17NO3.C4H6O6/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;5-1(3(7)8)2(6)4(9)10/h3-5,7,11-15H,6H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-;1-,2-/m11/s1",LBOPECYONBDFEM-VUAFVNRWSA-N,C15H23NO9,361.34,361.1372813,,188,320,0,8,10,7,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cinnamic acid, o-methoxy-, (Z)-",14737-91-8,1622530,(Z)-3-(2-methoxyphenyl)prop-2-enoic acid,COC1=CC=CC=C1/C=C\C(=O)O,"InChI=1S/C10H10O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6-",FEGVSPGUHMGGBO-SREVYHEPSA-N,C10H10O3,178.18,178.0629942,1.8,46.5,198,0,1,3,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetonitrile, 2-(2-chlorophenyl)-2-(diethoxyphosphinothioyloxyimino)-",14816-20-7,26928,2-chloro-N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide,CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1Cl,"InChI=1S/C12H14ClN2O3PS/c1-3-16-19(20,17-4-2)18-15-12(9-14)10-7-5-6-8-11(10)13/h5-8H,3-4H2,1-2H3",GQKRUMZWUHSLJF-UHFFFAOYSA-N,C12H14ClN2O3PS,332.74,332.0151282,5,95.9,428,0,0,6,7,20,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Bismuth, oxo(salicylato)-",14882-18-9,53629521,bismuth;2-oxidobenzoate;hydroxide,C1=CC=C(C(=C1)C(=O)[O-])[O-].[OH-].[Bi+3],"InChI=1S/C7H6O3.Bi.H2O/c8-6-4-2-1-3-5(6)7(9)10;;/h1-4,8H,(H,9,10);;1H2/q;+3;/p-3",ZREIPSZUJIFJNP-UHFFFAOYSA-K,C7H5BiO4,362.09,361.99918,,64.2,127,0,1,4,0,12,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Thymol, 6-bromo-",15062-34-7,203726,4-bromo-5-methyl-2-propan-2-ylphenol,CC1=CC(=C(C=C1Br)C(C)C)O,"InChI=1S/C10H13BrO/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,12H,1-3H3",ZSIQWWYOUYOECH-UHFFFAOYSA-N,C10H13BrO,229.11,228.01498,4,20.2,147,0,1,1,1,12,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 1-(2-chloroethyl)-3-(m-tolyl)-",15145-36-5,97216,1-(2-chloroethyl)-3-(3-methylphenyl)urea,CC1=CC(=CC=C1)NC(=O)NCCCl,"InChI=1S/C10H13ClN2O/c1-8-3-2-4-9(7-8)13-10(14)12-6-5-11/h2-4,7H,5-6H2,1H3,(H2,12,13,14)",YFJQMNIZVXYKSD-UHFFFAOYSA-N,C10H13ClN2O,212.67,212.0716407,2.1,41.1,187,0,2,1,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hydroxylamine, O-(m-(trifluoromethyl)benzyl)-, hydrochloride",15256-07-2,203812,O-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride,C1=CC(=CC(=C1)C(F)(F)F)CON.Cl,"InChI=1S/C8H8F3NO.ClH/c9-8(10,11)7-3-1-2-6(4-7)5-13-12;/h1-4H,5,12H2;1H",DXEDFEUKJRKFOV-UHFFFAOYSA-N,C8H9ClF3NO,227.61,227.0324761,,35.3,160,0,2,5,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzyl alcohol, 2,6-dichloro-",15258-73-8,27156,"(2,6-dichlorophenyl)methanol",C1=CC(=C(C(=C1)Cl)CO)Cl,"InChI=1S/C7H6Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2",WKKHCCZLKYKUDN-UHFFFAOYSA-N,C7H6Cl2O,177.02,175.9795702,2.3,20.2,97,0,1,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propiophenone, 2-(dimethylamino)-",15351-09-4,71872,2-(dimethylamino)-1-phenylpropan-1-one,CC(C(=O)C1=CC=CC=C1)N(C)C,"InChI=1S/C11H15NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9H,1-3H3",KBHMHROOFHVLBA-UHFFFAOYSA-N,C11H15NO,177.24,177.1153641,2.1,20.3,171,0,0,2,3,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenethylamine, 2,5-dimethoxy-alpha,4-dimethyl-, hydrochloride",15589-00-1,85874,"1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine;hydrochloride",CC1=CC(=C(C=C1OC)CC(C)N)OC.Cl,"InChI=1S/C12H19NO2.ClH/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3;/h5,7,9H,6,13H2,1-4H3;1H",IPIMRNFGYPQKAM-UHFFFAOYSA-N,C12H20ClNO2,245.74,245.1182566,,44.5,186,0,2,3,4,16,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"Benzamidine, p-nitro-, monohydrochloride",15723-90-7,170625,4-nitrobenzenecarboximidamide;hydrochloride,C1=CC(=CC=C1C(=N)N)[N+](=O)[O-].Cl,"InChI=1S/C7H7N3O2.ClH/c8-7(9)5-1-3-6(4-2-5)10(11)12;/h1-4H,(H3,8,9);1H",CJXJAUKCHHAJQN-UHFFFAOYSA-N,C7H8ClN3O2,201.61,201.0305042,,95.7,191,0,3,3,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acrylophenone, 3-chloro-, (E)-",15724-86-4,6380917,(E)-3-chloro-1-phenylprop-2-en-1-one,C1=CC=C(C=C1)C(=O)/C=C/Cl,InChI=1S/C9H7ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-7H/b7-6+,MHZUGELJKUYWQA-VOTSOKGWSA-N,C9H7ClO,166.6,166.0185425,2.6,17.1,157,0,0,1,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Miramistin,15809-19-5,72949,benzyl-dimethyl-[3-(tetradecanoylamino)propyl]azanium chloride,CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-],"InChI=1S/C26H46N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-21-26(29)27-22-18-23-28(2,3)24-25-19-15-14-16-20-25;/h14-16,19-20H,4-13,17-18,21-24H2,1-3H3;1H",JQQZCIIDNVIQKO-UHFFFAOYSA-N,C26H47ClN2O,439.1,438.3376918,,29.1,388,0,1,2,18,30,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Biguanide, 1-(p-fluorophenyl)-, monohydrochloride",16018-83-0,11424753,1-(diaminomethylidene)-2-(4-fluorophenyl)guanidine;hydrochloride,C1=CC(=CC=C1N=C(N)N=C(N)N)F.Cl,"InChI=1S/C8H10FN5.ClH/c9-5-1-3-6(4-2-5)13-8(12)14-7(10)11;/h1-4H,(H6,10,11,12,13,14);1H",HBYJTLZNKNUTCP-UHFFFAOYSA-N,C8H11ClFN5,231.66,231.0687012,,103,238,0,4,2,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propionic acid, 3-(acetyl-(3-amino-2,4,6-triiodophenyl)amino)-2-methyl-",16034-77-8,27648,"3-(N-acetyl-3-amino-2,4,6-triiodoanilino)-2-methylpropanoic acid",CC(CN(C1=C(C=C(C(=C1I)N)I)I)C(=O)C)C(=O)O,"InChI=1S/C12H13I3N2O3/c1-5(12(19)20)4-17(6(2)18)11-8(14)3-7(13)10(16)9(11)15/h3,5H,4,16H2,1-2H3,(H,19,20)",GSVQIUGOUKJHRC-UHFFFAOYSA-N,C12H13I3N2O3,613.96,613.806,2.6,83.6,383,0,2,4,4,20,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbanilic acid, (1-ethylcarbamoyl)ethyl ester, D-(-)-",16118-49-3,152031,[(2R)-1-(ethylamino)-1-oxopropan-2-yl] N-phenylcarbamate,CCNC(=O)[C@@H](C)OC(=O)NC1=CC=CC=C1,"InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)/t9-/m1/s1",AMRQXHFXNZFDCH-SECBINFHSA-N,C12H16N2O3,236.27,236.1160924,1.6,67.4,262,0,2,3,5,17,,,0,0,0,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
Lead phthalate,16183-12-3,57467572,,C1=CC=C(C(=C1)C(=O)O)C(=O)O.[Pb],"InChI=1S/C8H6O4.Pb/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);",RKWWGGAKUREYOE-UHFFFAOYSA-N,C8H6O4Pb,373,374.00326,,74.6,177,0,2,4,2,13,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Acetonitrile, (2,5-xylyl)-",16213-85-7,27753,"2-(2,5-dimethylphenyl)acetonitrile",CC1=CC(=C(C=C1)C)CC#N,"InChI=1S/C10H11N/c1-8-3-4-9(2)10(7-8)5-6-11/h3-4,7H,5H2,1-2H3",HCELORQTHSKCQL-UHFFFAOYSA-N,C10H11N,145.2,145.0891494,2.3,23.8,165,0,0,1,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Stearic acid, alpha-ester with D-threo-(-)-2,2-dichloro-N-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenethyl)acetamide",16255-48-4,83945,"[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] octadecanoate",CCCCCCCCCCCCCCCCCC(=O)OC[C@H]([C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,"InChI=1S/C29H46Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(34)39-22-25(32-29(36)28(30)31)27(35)23-18-20-24(21-19-23)33(37)38/h18-21,25,27-28,35H,2-17,22H2,1H3,(H,32,36)/t25-,27-/m1/s1",IDWDXHQLOMJDRU-XNMGPUDCSA-N,C29H46Cl2N2O6,589.6,588.2732926,10.1,121,669,0,2,6,23,39,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, 2-amino-5-nitro-",16313-65-8,97665,2-amino-5-nitrobenzamide,C1=CC(=C(C=C1[N+](=O)[O-])C(=O)N)N,"InChI=1S/C7H7N3O3/c8-6-2-1-4(10(12)13)3-5(6)7(9)11/h1-3H,8H2,(H2,9,11)",SOBQOVZAFJDEJI-UHFFFAOYSA-N,C7H7N3O3,181.15,181.0487411,1.3,115,226,0,2,4,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"1,3,5-Pentanetricarbonitrile, 3-phenyl-",16320-20-0,96634,"3-phenylpentane-1,3,5-tricarbonitrile",C1=CC=C(C=C1)C(CCC#N)(CCC#N)C#N,"InChI=1S/C14H13N3/c15-10-4-8-14(12-17,9-5-11-16)13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-9H2",KVDYEBISIZWSRT-UHFFFAOYSA-N,C14H13N3,223.27,223.1109474,1.5,71.4,357,0,0,3,5,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Valeric acid, 4-phenyl-",16433-43-5,27877,4-phenylpentanoic acid,CC(CCC(=O)O)C1=CC=CC=C1,"InChI=1S/C11H14O2/c1-9(7-8-11(12)13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)",UIIMQLPOAXFKFW-UHFFFAOYSA-N,C11H14O2,178.23,178.0993797,2.4,37.3,159,0,1,2,4,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Benzenamine, 3-methoxy-4-methyl-",16452-01-0,27882,3-methoxy-4-methylaniline,CC1=C(C=C(C=C1)N)OC,"InChI=1S/C8H11NO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,9H2,1-2H3",ONADZNBSLRAJFW-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,2.1,35.3,105,0,1,2,1,10,"greater than 235 °F (NTP, 1992)","482 to 486 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"1,3-Benzenediol, 4,6-diamino-, hydrochloride (1:2)",16523-31-2,2733648,"4,6-diaminobenzene-1,3-diol;dihydrochloride",C1=C(C(=CC(=C1N)O)O)N.Cl.Cl,"InChI=1S/C6H8N2O2.2ClH/c7-3-1-4(8)6(10)2-5(3)9;;/h1-2,9-10H,7-8H2;2*1H",KUMOYHHELWKOCB-UHFFFAOYSA-N,C6H10Cl2N2O2,213.06,212.011933,,92.5,108,0,6,4,0,12,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"Benzonitrile, 2-chloro-5-nitro-",16588-02-6,85504,2-chloro-5-nitrobenzonitrile,C1=CC(=C(C=C1[N+](=O)[O-])C#N)Cl,InChI=1S/C7H3ClN2O2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3H,ZGILLTVEEBNDOB-UHFFFAOYSA-N,C7H3ClN2O2,182.56,181.988305,2.2,69.6,229,0,0,3,0,12,,,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propiophenone, 2-amino-, hydrochloride",16735-19-6,204630,2-amino-1-phenylpropan-1-one;hydrochloride,CC(C(=O)C1=CC=CC=C1)N.Cl,"InChI=1S/C9H11NO.ClH/c1-7(10)9(11)8-5-3-2-4-6-8;/h2-7H,10H2,1H3;1H",HPZCAKYHISJOIK-UHFFFAOYSA-N,C9H12ClNO,185.65,185.0607417,,43.1,138,0,2,2,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 2-thio-1-(2,5-xylyl)-",16738-19-5,819791,"(2,5-dimethylphenyl)thiourea",CC1=CC(=C(C=C1)C)NC(=S)N,"InChI=1S/C9H12N2S/c1-6-3-4-7(2)8(5-6)11-9(10)12/h3-5H,1-2H3,(H3,10,11,12)",VSUIANYSDDKYJI-UHFFFAOYSA-N,C9H12N2S,180.27,180.0721196,1.5,70.1,170,0,2,1,1,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Carvacrol, 4-(beta-dimethylaminoethoxy)-, hydrochloride",16809-53-3,28092,2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium chloride,CC1=CC(=C(C=C1O)C(C)C)OCC[NH+](C)C.[Cl-],"InChI=1S/C14H23NO2.ClH/c1-10(2)12-9-13(16)11(3)8-14(12)17-7-6-15(4)5;/h8-10,16H,6-7H2,1-5H3;1H",AIDBABSBOSQTRQ-UHFFFAOYSA-N,C14H24ClNO2,273.8,273.1495567,,33.9,218,0,2,3,5,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonic acid, (p-bromophenyl)-",16839-13-7,95011,(4-bromophenyl)phosphonic acid,C1=CC(=CC=C1P(=O)(O)O)Br,"InChI=1S/C6H6BrO3P/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)",XDGIQCFWQNHSMV-UHFFFAOYSA-N,C6H6BrO3P,236.99,235.92379,1.2,57.5,171,0,2,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Acetophenone, 3',4'-dihydroxy-2-(isopropylamino)-, hydrochloride",16899-81-3,2830496,"1-(3,4-dihydroxyphenyl)-2-(propan-2-ylamino)ethanone;hydrochloride",CC(C)NCC(=O)C1=CC(=C(C=C1)O)O.Cl,"InChI=1S/C11H15NO3.ClH/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;/h3-5,7,12-14H,6H2,1-2H3;1H",IUNGEEAXDFWWSQ-UHFFFAOYSA-N,C11H16ClNO3,245.7,245.0818711,,69.6,218,0,4,4,4,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetophenone, 3',4'-dihydroxy-2-(dimethylamino)-, hydrochloride",16899-83-5,54599386,"1-(3,4-dihydroxyphenyl)-2-(dimethylamino)ethanone;hydrochloride",CN(C)CC(=O)C1=CC(=C(C=C1)O)O.Cl,"InChI=1S/C10H13NO3.ClH/c1-11(2)6-10(14)7-3-4-8(12)9(13)5-7;/h3-5,12-13H,6H2,1-2H3;1H",LVRPQCAWIVYJTP-UHFFFAOYSA-N,C10H14ClNO3,231.67,231.066221,,60.8,206,0,3,4,3,15,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrazine, phenethyl-, dihydrochloride",16904-30-6,28134,2-phenylethylhydrazine;dihydrochloride,C1=CC=C(C=C1)CCNN.Cl.Cl,"InChI=1S/C8H12N2.2ClH/c9-10-7-6-8-4-2-1-3-5-8;;/h1-5,10H,6-7,9H2;2*1H",QSHKVNHUVGFHAA-UHFFFAOYSA-N,C8H14Cl2N2,209.11,208.0534038,,38.1,77,0,4,2,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzonitrile, 2,6-dimethoxy-",16932-49-3,85648,"2,6-dimethoxybenzonitrile",COC1=C(C(=CC=C1)OC)C#N,"InChI=1S/C9H9NO2/c1-11-8-4-3-5-9(12-2)7(8)6-10/h3-5H,1-2H3",XHAHKSSLDJIEDH-UHFFFAOYSA-N,C9H9NO2,163.17,163.0633285,1.2,42.3,172,0,0,3,2,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzene, m-dibutyl-",17171-74-3,204985,"1,3-dibutylbenzene",CCCCC1=CC(=CC=C1)CCCC,"InChI=1S/C14H22/c1-3-5-8-13-10-7-11-14(12-13)9-6-4-2/h7,10-12H,3-6,8-9H2,1-2H3",BLZIWBDUMUJHOE-UHFFFAOYSA-N,C14H22,190.32,190.1721507,6.3,0,114,0,0,0,6,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, 2-(p-hydroxyphenyl)-",17194-82-0,86986,2-(4-hydroxyphenyl)acetamide,C1=CC(=CC=C1CC(=O)N)O,"InChI=1S/C8H9NO2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4,10H,5H2,(H2,9,11)",YBPAYPRLUDCSEY-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,0.1,63.3,139,0,2,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2',4'-Acetoxylidide, 2-(diethylamino)-",17289-53-1,28447,"2-(diethylamino)-N-(2,4-dimethylphenyl)acetamide",CCN(CC)CC(=O)NC1=C(C=C(C=C1)C)C,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-14(17)15-13-8-7-11(3)9-12(13)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)",NCOAXMSOFNEVJI-UHFFFAOYSA-N,C14H22N2O,234.34,234.1732133,2.3,32.3,238,0,1,2,5,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Acetanilide, 2-(diethylamino)-2',4'-dimethyl-, hydrochloride",17289-54-2,13781345,"2-(diethylamino)-N-(2,4-dimethylphenyl)acetamide;hydrochloride",CCN(CC)CC(=O)NC1=C(C=C(C=C1)C)C.Cl,"InChI=1S/C14H22N2O.ClH/c1-5-16(6-2)10-14(17)15-13-8-7-11(3)9-12(13)4;/h7-9H,5-6,10H2,1-4H3,(H,15,17);1H",ZLAAATDLPBWPOO-UHFFFAOYSA-N,C14H23ClN2O,270.8,270.1498911,,32.3,238,0,2,2,5,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 3,5-dichloro-4-hydroxy-, ethyl ester",17302-82-8,28460,"ethyl 3,5-dichloro-4-hydroxybenzoate",CCOC(=O)C1=CC(=C(C(=C1)Cl)O)Cl,"InChI=1S/C9H8Cl2O3/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,12H,2H2,1H3",WMKNGSJJEMFQOT-UHFFFAOYSA-N,C9H8Cl2O3,235.06,233.9850495,3.3,46.5,198,0,1,3,3,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Aniline, m-bromo-N-methyl-N-nitroso-",17405-06-0,28522,N-(3-bromophenyl)-N-methylnitrous amide,CN(C1=CC(=CC=C1)Br)N=O,"InChI=1S/C7H7BrN2O/c1-10(9-11)7-4-2-3-6(8)5-7/h2-5H,1H3",MMJTUBIBPCYLJO-UHFFFAOYSA-N,C7H7BrN2O,215.05,213.97418,2.4,32.7,142,0,0,3,1,11,,,0,1,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propionic acid, 2-(m-chlorophenoxy)-2-methyl-",17413-73-9,28529,2-(3-chlorophenoxy)-2-methylpropanoic acid,CC(C)(C(=O)O)OC1=CC(=CC=C1)Cl,"InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-4-7(11)6-8/h3-6H,1-2H3,(H,12,13)",PZBIVIXQLIVFHJ-UHFFFAOYSA-N,C10H11ClO3,214.64,214.0396719,2.6,46.5,215,0,1,3,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propionic acid, 2-(o-chlorophenoxy)-2-methyl-",17413-79-5,205111,2-(2-chlorophenoxy)-2-methylpropanoic acid,CC(C)(C(=O)O)OC1=CC=CC=C1Cl,"InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-6-4-3-5-7(8)11/h3-6H,1-2H3,(H,12,13)",ZEQSWIRBIUYYFA-UHFFFAOYSA-N,C10H11ClO3,214.64,214.0396719,2.7,46.5,215,0,1,3,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"m-Toluidine, N-methyl-N-nitroso-",17485-25-5,146404,N-methyl-N-(3-methylphenyl)nitrous amide,CC1=CC(=CC=C1)N(C)N=O,"InChI=1S/C8H10N2O/c1-7-4-3-5-8(6-7)10(2)9-11/h3-6H,1-2H3",SOFOVDUKRLCVKZ-UHFFFAOYSA-N,C8H10N2O,150.18,150.0793129,2.5,32.7,138,0,0,3,1,11,,,0,1,1,1,0,1,0,1,0,0,1,0,0,0,1,0,0,1,0,0
"Benzyl alcohol, alpha-(1-(N-methyl-N-nitrosoamino)ethyl)-",17608-59-2,28638,N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnitrous amide,CC(C(C1=CC=CC=C1)O)N(C)N=O,"InChI=1S/C10H14N2O2/c1-8(12(2)11-14)10(13)9-6-4-3-5-7-9/h3-8,10,13H,1-2H3",ZVTOLKAVCZXHFM-UHFFFAOYSA-N,C10H14N2O2,194.23,194.1055277,1.5,52.9,181,0,1,4,3,14,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"m-Acetanisidide, 2-chloro-",17641-08-6,28667,2-chloro-N-(3-methoxyphenyl)acetamide,COC1=CC=CC(=C1)NC(=O)CCl,"InChI=1S/C9H10ClNO2/c1-13-8-4-2-3-7(5-8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)",JJNAIBJFYFWTIA-UHFFFAOYSA-N,C9H10ClNO2,199.63,199.0400063,1.9,38.3,175,0,1,2,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzene, 4-nitro-1,2,3-trichloro-",17700-09-3,28697,"1,2,3-trichloro-4-nitrobenzene",C1=CC(=C(C(=C1[N+](=O)[O-])Cl)Cl)Cl,InChI=1S/C6H2Cl3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H,BGKIECJVXXHLDP-UHFFFAOYSA-N,C6H2Cl3NO2,226.4,224.915111,3.6,45.8,184,0,0,2,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propylamine, 3-(2,4-dichlorophenoxy)-N-methyl-N-propargyl-, hydrochloride",17780-75-5,28767,"3-(2,4-dichlorophenoxy)-N-methyl-N-prop-2-ynylpropan-1-amine;hydrochloride",CN(CCCOC1=C(C=C(C=C1)Cl)Cl)CC#C.Cl,"InChI=1S/C13H15Cl2NO.ClH/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15;/h1,5-6,10H,4,7-9H2,2H3;1H",BBAZDLONIUABKI-UHFFFAOYSA-N,C13H16Cl3NO,308.6,307.029747,,12.5,263,0,1,2,6,18,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Anthranilic acid, N-butyl-",17781-86-1,205327,2-(butylamino)benzoic acid,CCCCNC1=CC=CC=C1C(=O)O,"InChI=1S/C11H15NO2/c1-2-3-8-12-10-7-5-4-6-9(10)11(13)14/h4-7,12H,2-3,8H2,1H3,(H,13,14)",DHBHUGJZAZYELM-UHFFFAOYSA-N,C11H15NO2,193.24,193.1102787,3,49.3,182,0,2,3,5,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Boronic acid, (3-methylphenyl)-",17933-03-8,2733950,(3-methylphenyl)boronic acid,B(C1=CC(=CC=C1)C)(O)O,"InChI=1S/C7H9BO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5,9-10H,1H3",BJQCPCFFYBKRLM-UHFFFAOYSA-N,C7H9BO2,135.96,136.0695597,,40.5,106,0,2,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DL-Aspartic acid, N-benzoyl-",17966-68-6,95664,2-benzamidobutanedioic acid,C1=CC=C(C=C1)C(=O)NC(CC(=O)O)C(=O)O,"InChI=1S/C11H11NO5/c13-9(14)6-8(11(16)17)12-10(15)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,15)(H,13,14)(H,16,17)",DJLTZJGULPLVOA-UHFFFAOYSA-N,C11H11NO5,237.21,237.0637225,0.3,104,309,0,3,5,5,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, 2,6-difluoro-",18063-03-1,87439,"2,6-difluorobenzamide",C1=CC(=C(C(=C1)F)C(=O)N)F,"InChI=1S/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)",AVRQBXVUUXHRMY-UHFFFAOYSA-N,C7H5F2NO,157.12,157.0339201,0.3,43.1,153,0,1,3,1,11,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonic acid, (aminophenylmethyl)-",18108-22-0,98449,[amino(phenyl)methyl]phosphonic acid,C1=CC=C(C=C1)C(N)P(=O)(O)O,"InChI=1S/C7H10NO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,7H,8H2,(H2,9,10,11)",ZKFNOUUKULVDOB-UHFFFAOYSA-N,C7H10NO3P,187.13,187.0398302,-3.2,83.6,185,0,3,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Alanine, 3-(3,4-dihydroxyphenyl)-2-methyl-, methyl ester, L-",18181-08-3,28934,"methyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate",C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)OC)N,"InChI=1S/C11H15NO4/c1-11(12,10(15)16-2)6-7-3-4-8(13)9(14)5-7/h3-5,13-14H,6,12H2,1-2H3/t11-/m0/s1",MKFJJXIMFTXSEM-NSHDSACASA-N,C11H15NO4,225.24,225.100108,0.7,92.8,258,0,3,5,4,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Phosphorothioic acid, O-(2,5-dichloro-4-iodophenyl) O,O-dimethyl ester",18181-70-9,28935,"(2,5-dichloro-4-iodophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane",COP(=S)(OC)OC1=CC(=C(C=C1Cl)I)Cl,"InChI=1S/C8H8Cl2IO3PS/c1-12-15(16,13-2)14-8-4-5(9)7(11)3-6(8)10/h3-4H,1-2H3",LFVLUOAHQIVABZ-UHFFFAOYSA-N,C8H8Cl2IO3PS,413,411.83536,5.5,59.8,276,0,0,4,4,16,,,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzyl alcohol, p-iodo-",18282-51-4,29012,(4-iodophenyl)methanol,C1=CC(=CC=C1CO)I,"InChI=1S/C7H7IO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2",CNQRHSZYVFYOIE-UHFFFAOYSA-N,C7H7IO,234.03,233.95416,1.9,20.2,77,0,1,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 2-chloro-3,5,6-trimethyl-",18354-26-2,29038,"2-chloro-3,5,6-trimethylbenzoic acid",CC1=CC(=C(C(=C1C)C(=O)O)Cl)C,"InChI=1S/C10H11ClO2/c1-5-4-6(2)9(11)8(7(5)3)10(12)13/h4H,1-3H3,(H,12,13)",UUXKFHFNMBOTDU-UHFFFAOYSA-N,C10H11ClO2,198.64,198.0447573,3.2,37.3,205,0,1,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cinnamaldehyde, alpha-chloro-",18365-42-9,5899053,(Z)-2-chloro-3-phenylprop-2-enal,C1=CC=C(C=C1)/C=C(/C=O)\Cl,InChI=1S/C9H7ClO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H/b9-6-,SARRRAKOHPKFBW-TWGQIWQCSA-N,C9H7ClO,166.6,166.0185425,2.6,17.1,157,0,0,1,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Terephthalic acid, diisobutyl ester",18699-48-4,29218,"bis(2-methylpropyl) benzene-1,4-dicarboxylate",CC(C)COC(=O)C1=CC=C(C=C1)C(=O)OCC(C)C,"InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-5-7-14(8-6-13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3",LQKWPGAPADIOSS-UHFFFAOYSA-N,C16H22O4,278.34,278.1518092,5.7,52.6,282,0,0,4,8,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Propanone, 1-(4-chlorophenyl)-2-methyl-",18713-58-1,72865,1-(4-chlorophenyl)-2-methylpropan-1-one,CC(C)C(=O)C1=CC=C(C=C1)Cl,"InChI=1S/C10H11ClO/c1-7(2)10(12)8-3-5-9(11)6-4-8/h3-7H,1-2H3",OITFSBRKAUAGND-UHFFFAOYSA-N,C10H11ClO,182.64,182.0498427,3.4,17.1,157,0,0,1,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isothiocyanic acid, (3,4-dichlorobenzyl) ester",18967-42-5,29350,"1,2-dichloro-4-(isothiocyanatomethyl)benzene",C1=CC(=C(C=C1CN=C=S)Cl)Cl,"InChI=1S/C8H5Cl2NS/c9-7-2-1-6(3-8(7)10)4-11-5-12/h1-3H,4H2",DPSSHXWTNIGVMQ-UHFFFAOYSA-N,C8H5Cl2NS,218.1,216.9519757,4.9,44.5,191,0,0,2,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isothiocyanic acid, o-chlorobenzyl ester",18967-44-7,29351,1-chloro-2-(isothiocyanatomethyl)benzene,C1=CC=C(C(=C1)CN=C=S)Cl,"InChI=1S/C8H6ClNS/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4H,5H2",RMVDNJDSLXQPAV-UHFFFAOYSA-N,C8H6ClNS,183.66,182.9909481,3.9,44.5,165,0,0,2,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Resorcinol, 4-butyl-",18979-61-8,205912,"4-butylbenzene-1,3-diol",CCCCC1=C(C=C(C=C1)O)O,"InChI=1S/C10H14O2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h5-7,11-12H,2-4H2,1H3",CSHZYWUPJWVTMQ-UHFFFAOYSA-N,C10H14O2,166.22,166.0993797,2.4,40.5,125,0,2,2,3,12,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Phenol, 4-chloro-2-ethyl-",18979-90-3,29357,4-chloro-2-ethylphenol,CCC1=C(C=CC(=C1)Cl)O,"InChI=1S/C8H9ClO/c1-2-6-5-7(9)3-4-8(6)10/h3-5,10H,2H2,1H3",QCEDDUSMBLCRNH-UHFFFAOYSA-N,C8H9ClO,156.61,156.0341926,2.8,20.2,105,0,1,1,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 3,5-diiodo-",19094-48-5,98577,"3,5-diiodobenzoic acid",C1=C(C=C(C=C1I)I)C(=O)O,"InChI=1S/C7H4I2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)",FHTJRJBWLBXVPO-UHFFFAOYSA-N,C7H4I2O2,373.91,373.83007,2.7,37.3,151,0,1,2,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, 2-amino-5-chloro-N-methyl-",19178-37-1,209072,2-amino-5-chloro-N-methylbenzamide,CNC(=O)C1=C(C=CC(=C1)Cl)N,"InChI=1S/C8H9ClN2O/c1-11-8(12)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3,(H,11,12)",SHOFEQJWALLTLQ-UHFFFAOYSA-N,C8H9ClN2O,184.62,184.0403406,1.3,55.1,174,0,2,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
p-Toluamidoxime,19227-13-5,5493168,N'-hydroxy-4-methylbenzenecarboximidamide,CC1=CC=C(C=C1)/C(=N/O)/N,"InChI=1S/C8H10N2O/c1-6-2-4-7(5-3-6)8(9)10-11/h2-5,11H,1H3,(H2,9,10)",NKJXMLIWSJATEE-UHFFFAOYSA-N,C8H10N2O,150.18,150.0793129,1.4,58.6,148,0,2,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isothiocyanic acid, 5-chloro-o-tolyl ester",19241-36-2,29519,4-chloro-2-isothiocyanato-1-methylbenzene,CC1=C(C=C(C=C1)Cl)N=C=S,"InChI=1S/C8H6ClNS/c1-6-2-3-7(9)4-8(6)10-5-11/h2-4H,1H3",VDBDGAPNWNWUSA-UHFFFAOYSA-N,C8H6ClNS,183.66,182.9909481,4.3,44.5,177,0,0,2,1,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Styrene, 4-chloro-beta,beta-dimethyl-",19366-15-5,209164,1-chloro-4-(2-methylprop-1-enyl)benzene,CC(=CC1=CC=C(C=C1)Cl)C,"InChI=1S/C10H11Cl/c1-8(2)7-9-3-5-10(11)6-4-9/h3-7H,1-2H3",WRALWKVPQMAMTI-UHFFFAOYSA-N,C10H11Cl,166.65,166.054928,4.6,0,137,0,0,0,1,11,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Resorcinol, 2,4,6-triiodo-",19403-92-0,152256,"2,4,6-triiodobenzene-1,3-diol",C1=C(C(=C(C(=C1I)O)I)O)I,"InChI=1S/C6H3I3O2/c7-2-1-3(8)6(11)4(9)5(2)10/h1,10-11H",XKFZYVWWXHCHIX-UHFFFAOYSA-N,C6H3I3O2,487.8,487.7267,3.2,40.5,130,0,2,2,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propenenitrile, 3-((4-methylphenyl)sulfonyl)-, (2E)-",19542-67-7,5353431,(E)-3-(4-methylphenyl)sulfonylprop-2-enenitrile,CC1=CC=C(C=C1)S(=O)(=O)/C=C/C#N,"InChI=1S/C10H9NO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h2-6,8H,1H3/b8-2+",DOEWDSDBFRHVAP-KRXBUXKQSA-N,C10H9NO2S,207.25,207.0353997,1.4,66.3,347,0,0,3,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Biguanide, 1-(o-chlorophenyl)-, monohydrochloride",19579-44-3,2730222,2-(2-chlorophenyl)-1-(diaminomethylidene)guanidine;hydrochloride,C1=CC=C(C(=C1)N=C(N)N=C(N)N)Cl.Cl,"InChI=1S/C8H10ClN5.ClH/c9-5-3-1-2-4-6(5)13-8(12)14-7(10)11;/h1-4H,(H6,10,11,12,13,14);1H",KWAQGQJGFPOSRH-UHFFFAOYSA-N,C8H11Cl2N5,248.11,247.0391508,,103,246,0,4,1,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Biguanide, 1-(p-ethoxyphenyl)-, hydrochloride",19579-46-5,519672,1-(diaminomethylidene)-2-(4-ethoxyphenyl)guanidine;hydrochloride,CCOC1=CC=C(C=C1)N=C(N)N=C(N)N.Cl,"InChI=1S/C10H15N5O.ClH/c1-2-16-8-5-3-7(4-6-8)14-10(13)15-9(11)12;/h3-6H,2H2,1H3,(H6,11,12,13,14,15);1H",OZULDQPWBHRTBR-UHFFFAOYSA-N,C10H16ClN5O,257.72,257.1043378,,112,264,0,4,2,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrocinnamic acid, alpha,beta-dimethyl-",19731-91-0,29759,2-methyl-3-phenylbutanoic acid,CC(C1=CC=CC=C1)C(C)C(=O)O,"InChI=1S/C11H14O2/c1-8(9(2)11(12)13)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,12,13)",NRYIIIVJCVRSSH-UHFFFAOYSA-N,C11H14O2,178.23,178.0993797,2.6,37.3,171,0,1,2,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Formamidine, N'-(4-chloro-o-tolyl)-N,N-dimethyl-, hydrochloride",19750-95-9,12336279,"N'-(4-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide;hydrochloride",CC1=C(C=CC(=C1)Cl)N=CN(C)C.Cl,"InChI=1S/C10H13ClN2.ClH/c1-8-6-9(11)4-5-10(8)12-7-13(2)3;/h4-7H,1-3H3;1H",WZFNZVJGDCKNME-UHFFFAOYSA-N,C10H14Cl2N2,233.13,232.0534038,,15.6,180,0,1,1,2,14,,,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"p-Phenetidine, 3-methoxy-",19782-77-5,209360,4-ethoxy-3-methoxyaniline,CCOC1=C(C=C(C=C1)N)OC,"InChI=1S/C9H13NO2/c1-3-12-8-5-4-7(10)6-9(8)11-2/h4-6H,3,10H2,1-2H3",PQXMYSBFKDQWQN-UHFFFAOYSA-N,C9H13NO2,167.2,167.0946287,1.8,44.5,130,0,1,3,3,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Salicylaldehyde, 5-chloro-, 3-thiosemicarbazone",20234-13-3,135445342,[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]thiourea,C1=CC(=C(C=C1Cl)/C=N/NC(=S)N)O,"InChI=1S/C8H8ClN3OS/c9-6-1-2-7(13)5(3-6)4-11-12-8(10)14/h1-4,13H,(H3,10,12,14)/b11-4+",RZCVFQXLRNTPQD-NYYWCZLTSA-N,C8H8ClN3OS,229.69,229.0076608,1.5,103,237,0,3,3,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2-hydroxy-6-tridecyl-",20261-38-5,161306,2-hydroxy-6-tridecylbenzoic acid,CCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O,"InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18(21)19(17)20(22)23/h13,15-16,21H,2-12,14H2,1H3,(H,22,23)",VEPUCZUJLKAVNM-UHFFFAOYSA-N,C20H32O3,320.5,320.2351449,8.4,57.5,303,0,2,3,13,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, methyl ester, (2E)-",20329-96-8,735846,"methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate",COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)OC,"InChI=1S/C13H16O5/c1-15-10-7-9(5-6-12(14)17-3)8-11(16-2)13(10)18-4/h5-8H,1-4H3/b6-5+",KLXHCGFNNUQTEY-AATRIKPKSA-N,C13H16O5,252.26,252.0997736,2.1,54,275,0,0,5,6,18,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzaldehyde, 5-bromo-2-nitro-",20357-20-4,97233,5-bromo-2-nitrobenzaldehyde,C1=CC(=C(C=C1Br)C=O)[N+](=O)[O-],InChI=1S/C7H4BrNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-4H,UFRVBZVJVRHSNR-UHFFFAOYSA-N,C7H4BrNO3,230.02,228.93746,2.4,62.9,192,0,0,3,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Toluene, alpha-bromo-2,6-dichloro-",20443-98-5,30159,"2-(bromomethyl)-1,3-dichlorobenzene",C1=CC(=C(C(=C1)Cl)CBr)Cl,"InChI=1S/C7H5BrCl2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2",PDFGFQUSSYSWNI-UHFFFAOYSA-N,C7H5BrCl2,239.92,237.89517,3.7,0,97,0,0,0,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrazine, benzyl-, dihydrochloride",20570-96-1,146540,benzylhydrazine;dihydrochloride,C1=CC=C(C=C1)CNN.Cl.Cl,"InChI=1S/C7H10N2.2ClH/c8-9-6-7-4-2-1-3-5-7;;/h1-5,9H,6,8H2;2*1H",MSJHOJKVMMEMNX-UHFFFAOYSA-N,C7H12Cl2N2,195.09,194.0377538,,38.1,67,0,4,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanol, 2-(phenylsulfonyl)-",20611-21-6,30202,2-(benzenesulfonyl)ethanol,C1=CC=C(C=C1)S(=O)(=O)CCO,"InChI=1S/C8H10O3S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5,9H,6-7H2",PQVYYVANSPZIKE-UHFFFAOYSA-N,C8H10O3S,186.23,186.0350654,0.6,62.8,209,0,1,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 1-(dimethoxymethyl)-2-nitro-",20627-73-0,140718,1-(dimethoxymethyl)-2-nitrobenzene,COC(C1=CC=CC=C1[N+](=O)[O-])OC,"InChI=1S/C9H11NO4/c1-13-9(14-2)7-5-3-4-6-8(7)10(11)12/h3-6,9H,1-2H3",OAPZTGKQZKPVPF-UHFFFAOYSA-N,C9H11NO4,197.19,197.0688078,1.4,64.3,188,0,0,4,3,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Urea, 1-(p-bromophenyl)-3-methyl-",20680-07-3,152311,1-(4-bromophenyl)-3-methylurea,CNC(=O)NC1=CC=C(C=C1)Br,"InChI=1S/C8H9BrN2O/c1-10-8(12)11-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12)",OKUKWIIEAXKUDI-UHFFFAOYSA-N,C8H9BrN2O,229.07,227.98983,1.8,41.1,155,0,2,1,1,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzylamine, N-ethyl-N-nitroso-",20689-96-7,30228,N-benzyl-N-ethylnitrous amide,CCN(CC1=CC=CC=C1)N=O,"InChI=1S/C9H12N2O/c1-2-11(10-12)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",FEMRUGMGKZBXOL-UHFFFAOYSA-N,C9H12N2O,164.2,164.094963,2.1,32.7,132,0,0,3,3,12,,,0,0,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Urea, 1-ethyl-1-(o-tolyl)-",20722-63-8,88670,1-ethyl-1-(2-methylphenyl)urea,CCN(C1=CC=CC=C1C)C(=O)N,"InChI=1S/C10H14N2O/c1-3-12(10(11)13)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H2,11,13)",DVVVPMHPSRJZQX-UHFFFAOYSA-N,C10H14N2O,178.23,178.1106131,1.4,46.3,182,0,1,1,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propionic acid, 2-phenylhydrazide",20730-02-3,88671,N'-phenylpropanehydrazide,CCC(=O)NNC1=CC=CC=C1,"InChI=1S/C9H12N2O/c1-2-9(12)11-10-8-6-4-3-5-7-8/h3-7,10H,2H2,1H3,(H,11,12)",HXAKXFPOKDRNCQ-UHFFFAOYSA-N,C9H12N2O,164.2,164.094963,1.2,41.1,141,0,2,2,3,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 2,6-diisopropyl-4-methyl-",20766-99-8,96626,"4-methyl-2,6-di(propan-2-yl)phenol",CC1=CC(=C(C(=C1)C(C)C)O)C(C)C,"InChI=1S/C13H20O/c1-8(2)11-6-10(5)7-12(9(3)4)13(11)14/h6-9,14H,1-5H3",PNTYWMCFKKJDAA-UHFFFAOYSA-N,C13H20O,192.3,192.1514153,4.2,20.2,156,0,1,1,2,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Aniline, 2,4,5-trimethyl, hydrochloride",21436-97-5,5284470,"2,4,5-trimethylaniline;hydrochloride",CC1=CC(=C(C=C1C)N)C.Cl,"InChI=1S/C9H13N.ClH/c1-6-4-8(3)9(10)5-7(6)2;/h4-5H,10H2,1-3H3;1H",HPSNPQBFMPYUOD-UHFFFAOYSA-N,C9H14ClN,171.67,171.0814771,,26,111,0,2,1,0,11,,,0,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,6-Xylidine, hydrochloride",21436-98-6,88899,"2,6-dimethylaniline;hydrochloride",CC1=C(C(=CC=C1)C)N.Cl,"InChI=1S/C8H11N.ClH/c1-6-4-3-5-7(2)8(6)9;/h3-5H,9H2,1-2H3;1H",QNWMFJDRMZWZNN-UHFFFAOYSA-N,C8H12ClN,157.64,157.0658271,,26,80,0,2,1,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Formamide, N-(4-chloro-2-methylphenyl)-",21787-81-5,30815,N-(4-chloro-2-methylphenyl)formamide,CC1=C(C=CC(=C1)Cl)NC=O,"InChI=1S/C8H8ClNO/c1-6-4-7(9)2-3-8(6)10-5-11/h2-5H,1H3,(H,10,11)",JOGQXVYBVVOYGI-UHFFFAOYSA-N,C8H8ClNO,169.61,169.0294416,2.1,29.1,140,0,1,1,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Benzoic acid, 3-amino-5-chloro-",21961-30-8,10986726,3-amino-5-chlorobenzoic acid,C1=C(C=C(C=C1N)Cl)C(=O)O,"InChI=1S/C7H6ClNO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,9H2,(H,10,11)",ATFAXWNNFCBZNY-UHFFFAOYSA-N,C7H6ClNO2,171.58,171.0087061,1.5,63.3,163,0,2,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetanilide, 2-chloro-2',5'-dimethoxy-",22158-78-7,30961,"2-chloro-N-(2,5-dimethoxyphenyl)acetamide",COC1=CC(=C(C=C1)OC)NC(=O)CCl,"InChI=1S/C10H12ClNO3/c1-14-7-3-4-9(15-2)8(5-7)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)",BDDQUHPZDJEQRL-UHFFFAOYSA-N,C10H12ClNO3,229.66,229.0505709,1.9,47.6,213,0,1,3,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenesulfonamide, 4-amino-3-chloro-N-methyl-",22185-74-6,211073,4-amino-3-chloro-N-methylbenzenesulfonamide,CNS(=O)(=O)C1=CC(=C(C=C1)N)Cl,"InChI=1S/C7H9ClN2O2S/c1-10-13(11,12)5-2-3-7(9)6(8)4-5/h2-4,10H,9H2,1H3",FZMFXPJCENUTLS-UHFFFAOYSA-N,C7H9ClN2O2S,220.68,220.0073264,1.2,80.6,262,0,2,4,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetanilide, 2,2',4',6'-tetrachloro-",22303-34-0,31122,"2-chloro-N-(2,4,6-trichlorophenyl)acetamide",C1=C(C=C(C(=C1Cl)NC(=O)CCl)Cl)Cl,"InChI=1S/C8H5Cl4NO/c9-3-7(14)13-8-5(11)1-4(10)2-6(8)12/h1-2H,3H2,(H,13,14)",PXPBIOJVDMLMKK-UHFFFAOYSA-N,C8H5Cl4NO,272.9,272.909574,3.6,29.1,202,0,1,1,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Acetonitrile, o-tolyl-",22364-68-7,31155,2-(2-methylphenyl)acetonitrile,CC1=CC=CC=C1CC#N,"InChI=1S/C9H9N/c1-8-4-2-3-5-9(8)6-7-10/h2-5H,6H2,1H3",WMGVPDQNPUQRND-UHFFFAOYSA-N,C9H9N,131.17,131.0734993,2.1,23.8,142,0,0,1,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propylamine, alpha-methyl-gamma-phenyl-",22374-89-6,31160,4-phenylbutan-2-amine,CC(CCC1=CC=CC=C1)N,"InChI=1S/C10H15N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3",WECUIGDEWBNQJJ-UHFFFAOYSA-N,C10H15N,149.23,149.1204495,2,26,95,0,1,1,3,11,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"Acetamide, N-(3-acetyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-, (+-)-",22568-64-5,50894,N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide,CC(C)NCC(COC1=C(C=C(C=C1)NC(=O)C)C(=O)C)O,"InChI=1S/C16H24N2O4/c1-10(2)17-8-14(21)9-22-16-6-5-13(18-12(4)20)7-15(16)11(3)19/h5-7,10,14,17,21H,8-9H2,1-4H3,(H,18,20)",AWOGXJOBNAWQSF-UHFFFAOYSA-N,C16H24N2O4,308.37,308.1736073,0.9,87.7,373,0,3,5,8,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethylamine, 2-(benzylthio)-, hydrochloride",22572-33-4,13166188,2-benzylsulfanylethanamine;hydrochloride,C1=CC=C(C=C1)CSCCN.Cl,"InChI=1S/C9H13NS.ClH/c10-6-7-11-8-9-4-2-1-3-5-9;/h1-5H,6-8,10H2;1H",XZXIWQYIVDFDSP-UHFFFAOYSA-N,C9H14ClNS,203.73,203.0535483,,51.3,89,0,2,2,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propanol, 1-(4-hydroxy-2,3,5-trimethylphenoxy)-3-(isopropylamino)-, 4-acetate",22664-55-7,31477,"[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenyl] acetate",CC1=CC(=C(C(=C1OC(=O)C)C)C)OCC(CNC(C)C)O,"InChI=1S/C17H27NO4/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4/h7,10,15,18,20H,8-9H2,1-6H3",BQIPXWYNLPYNHW-UHFFFAOYSA-N,C17H27NO4,309.4,309.1940083,2.7,67.8,348,0,2,5,8,22,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-nitro-",22892-96-2,89893,4-chloro-3-nitro-5-sulfamoylbenzoic acid,C1=C(C=C(C(=C1[N+](=O)[O-])Cl)S(=O)(=O)N)C(=O)O,"InChI=1S/C7H5ClN2O6S/c8-6-4(10(13)14)1-3(7(11)12)2-5(6)17(9,15)16/h1-2H,(H,11,12)(H2,9,15,16)",ACYLUAGCBGTEJF-UHFFFAOYSA-N,C7H5ClN2O6S,280.64,279.9556848,0.5,152,427,0,2,7,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 2-hydroxy-6-(8Z)-8-pentadecenyl-",22910-60-7,5281858,2-hydroxy-6-[(Z)-pentadec-8-enyl]benzoic acid,CCCCCC/C=C\CCCCCCCC1=C(C(=CC=C1)O)C(=O)O,"InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25)/b8-7-",YXHVCZZLWZYHSA-FPLPWBNLSA-N,C22H34O3,346.5,346.2507949,8.5,57.5,364,0,2,3,14,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propiophenone, 2-amino-4'-chloro-, hydrochloride",23184-97-6,211463,2-amino-1-(4-chlorophenyl)propan-1-one;hydrochloride,CC(C(=O)C1=CC=C(C=C1)Cl)N.Cl,"InChI=1S/C9H10ClNO.ClH/c1-6(11)9(12)7-2-4-8(10)5-3-7;/h2-6H,11H2,1H3;1H",XAAMOOOAKCTFIG-UHFFFAOYSA-N,C9H11Cl2NO,220.09,219.0217694,,43.1,164,0,2,2,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 4-amino-, ethyl ester, hydrochloride",23239-88-5,10214462,ethyl 4-aminobenzoate;hydrochloride,CCOC(=O)C1=CC=C(C=C1)N.Cl,"InChI=1S/C9H11NO2.ClH/c1-2-12-9(11)7-3-5-8(10)6-4-7;/h3-6H,2,10H2,1H3;1H",JAADDQHUJDUAKW-UHFFFAOYSA-N,C9H12ClNO2,201.65,201.0556563,,52.3,151,0,2,3,3,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Mercury, acetato(p-(dimethylamino)phenyl)-",23332-31-2,16683026,acetyloxy-[4-(dimethylamino)phenyl]mercury,CC(=O)O[Hg]C1=CC=C(C=C1)N(C)C,"InChI=1S/C8H10N.C2H4O2.Hg/c1-9(2)8-6-4-3-5-7-8;1-2(3)4;/h4-7H,1-2H3;1H3,(H,3,4);/q;;+1/p-1",JUHSGDOCZQLSQX-UHFFFAOYSA-M,C10H13HgNO2,379.81,381.065272,,29.5,189,0,0,3,4,14,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Acetic acid, (2,4,6-trichlorophenyl) ester",23399-90-8,31894,"(2,4,6-trichlorophenyl) acetate",CC(=O)OC1=C(C=C(C=C1Cl)Cl)Cl,"InChI=1S/C8H5Cl3O2/c1-4(12)13-8-6(10)2-5(9)3-7(8)11/h2-3H,1H3",RFOCPJZGJNKBOI-UHFFFAOYSA-N,C8H5Cl3O2,239.5,237.935512,3.8,26.3,186,0,0,2,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Propionic acid, 2-methyl-2-(p-tolyloxy)-",23438-11-1,168111,2-methyl-2-(4-methylphenoxy)propanoic acid,CC1=CC=C(C=C1)OC(C)(C)C(=O)O,"InChI=1S/C11H14O3/c1-8-4-6-9(7-5-8)14-11(2,3)10(12)13/h4-7H,1-3H3,(H,12,13)",OQUCRQLGCRZSBH-UHFFFAOYSA-N,C11H14O3,194.23,194.0942943,2.3,46.5,203,0,1,3,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzylamine, N-(2-chloroethyl)-N-methyl-, hydrochloride",23510-18-1,12822620,N-benzyl-2-chloro-N-methylethanamine;hydrochloride,CN(CCCl)CC1=CC=CC=C1.Cl,"InChI=1S/C10H14ClN.ClH/c1-12(8-7-11)9-10-5-3-2-4-6-10;/h2-6H,7-9H2,1H3;1H",PYIXYEMKFUOLDQ-UHFFFAOYSA-N,C10H15Cl2N,220.14,219.0581549,,3.2,110,0,1,1,4,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"3-Dodecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)-(+)-",23513-08-8,168114,(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one,CCCCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O,"InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1",BCIWKKMTBRYQJU-INIZCTEOSA-N,C19H30O4,322.4,322.2144094,4.2,66.8,318,0,2,4,12,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"3-Decanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)-(+)-",23513-14-6,442793,(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one,CCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O,"InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1",NLDDIKRKFXEWBK-AWEZNQCLSA-N,C17H26O4,294.4,294.1831093,2.5,66.8,293,0,2,4,10,21,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Tetradecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)-",23513-15-7,168115,(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one,CCCCCCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O,"InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1",AIULWNKTYPZYAN-SFHVURJKSA-N,C21H34O4,350.5,350.2457096,5.3,66.8,345,0,2,4,14,25,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, m,beta-dimethoxy-, hydrochloride",23582-54-9,211810,2-methoxy-2-(3-methoxyphenyl)ethanamine;hydrochloride,COC1=CC=CC(=C1)C(CN)OC.Cl,"InChI=1S/C10H15NO2.ClH/c1-12-9-5-3-4-8(6-9)10(7-11)13-2;/h3-6,10H,7,11H2,1-2H3;1H",SVRFEXNTXJGYNU-UHFFFAOYSA-N,C10H16ClNO2,217.69,217.0869564,,44.5,141,0,2,3,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetanilide, 2,2',4',5'-tetrachloro-",23595-42-8,32018,"2-chloro-N-(2,4,5-trichlorophenyl)acetamide",C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)CCl,"InChI=1S/C8H5Cl4NO/c9-3-8(14)13-7-2-5(11)4(10)1-6(7)12/h1-2H,3H2,(H,13,14)",GQRWKOPRUXSOBA-UHFFFAOYSA-N,C8H5Cl4NO,272.9,272.909574,3.6,29.1,214,0,1,1,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Butyric acid, 4-((4-chloro-m-tolyl)oxy)-",23609-99-6,32028,4-(4-chloro-3-methylphenoxy)butanoic acid,CC1=C(C=CC(=C1)OCCCC(=O)O)Cl,"InChI=1S/C11H13ClO3/c1-8-7-9(4-5-10(8)12)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)",PHYYXFKRVUCUBW-UHFFFAOYSA-N,C11H13ClO3,228.67,228.055322,3.6,46.5,208,0,1,3,5,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetanilide, 2',4',5'-trichloro-",23627-24-9,90217,"N-(2,4,5-trichlorophenyl)acetamide",CC(=O)NC1=CC(=C(C=C1Cl)Cl)Cl,"InChI=1S/C8H6Cl3NO/c1-4(13)12-8-3-6(10)5(9)2-7(8)11/h2-3H,1H3,(H,12,13)",VUSLTUGEJURGLB-UHFFFAOYSA-N,C8H6Cl3NO,238.5,236.951497,3.2,29.1,200,0,1,1,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, p-(dipropylsulfamoyl)-, sodium salt",23795-03-1,23662399,sodium 4-(dipropylsulfamoyl)benzoate,CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)[O-].[Na+],"InChI=1S/C13H19NO4S.Na/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16;/h5-8H,3-4,9-10H2,1-2H3,(H,15,16);/q;+1/p-1",QCCCFHDTBTUDEA-UHFFFAOYSA-M,C13H18NNaO4S,307.34,307.0854235,,85.9,380,0,0,5,7,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenepropanamide, 4-hydroxy-",23838-70-2,16222514,3-(4-hydroxyphenyl)propanamide,C1=CC(=CC=C1CCC(=O)N)O,"InChI=1S/C9H11NO2/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1-2,4-5,11H,3,6H2,(H2,10,12)",OEHZEBOCZWCVMK-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,0.5,63.3,151,0,2,2,3,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanol, 2,2'-((4-((2-methoxyethyl)amino)-3-nitrophenyl)imino)bis-",23920-15-2,71587861,2-[N-(2-hydroxyethyl)-4-(2-methoxyethylamino)-3-nitroanilino]ethanol;hydrochloride,COCCNC1=C(C=C(C=C1)N(CCO)CCO)[N+](=O)[O-].Cl,"InChI=1S/C13H21N3O5.ClH/c1-21-9-4-14-12-3-2-11(10-13(12)16(19)20)15(5-7-17)6-8-18;/h2-3,10,14,17-18H,4-9H2,1H3;1H",GTMWPZKEYRLDJV-UHFFFAOYSA-N,C13H22ClN3O5,335.78,335.1247985,,111,294,0,4,7,9,22,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Salicylamide, N-(2-hydroxyethyl)-",24207-38-3,90407,2-hydroxy-N-(2-hydroxyethyl)benzamide,C1=CC=C(C(=C1)C(=O)NCCO)O,"InChI=1S/C9H11NO3/c11-6-5-10-9(13)7-3-1-2-4-8(7)12/h1-4,11-12H,5-6H2,(H,10,13)",NCPLWPQEVIBZKJ-UHFFFAOYSA-N,C9H11NO3,181.19,181.0738932,0.7,69.6,172,0,3,3,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, sodium salt, (2E)- (1:1)",24276-84-4,23669636,sodium (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate,COC1=C(C=CC(=C1)/C=C/C(=O)[O-])O.[Na+],"InChI=1S/C10H10O4.Na/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13;/h2-6,11H,1H3,(H,12,13);/q;+1/p-1/b5-3+;",NCTHNHPAQAVBEB-WGCWOXMQSA-M,C10H9NaO4,216.17,216.0398531,,69.6,229,0,1,4,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, N-(p-bromobenzyl)-2-fluoro-",24312-44-5,198020,N-[(4-bromophenyl)methyl]-2-fluoroacetamide,C1=CC(=CC=C1CNC(=O)CF)Br,"InChI=1S/C9H9BrFNO/c10-8-3-1-7(2-4-8)6-12-9(13)5-11/h1-4H,5-6H2,(H,12,13)",ZRGCGXABDWGNHA-UHFFFAOYSA-N,C9H9BrFNO,246.08,244.98515,2.1,29.1,169,0,1,2,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-Benzenedicarboxylic acid, monohexyl ester",24539-57-9,90532,2-hexoxycarbonylbenzoic acid,CCCCCCOC(=O)C1=CC=CC=C1C(=O)O,"InChI=1S/C14H18O4/c1-2-3-4-7-10-18-14(17)12-9-6-5-8-11(12)13(15)16/h5-6,8-9H,2-4,7,10H2,1H3,(H,15,16)",XOSNGXNHDRYFEF-UHFFFAOYSA-N,C14H18O4,250.29,250.1205091,4.2,63.6,275,0,1,4,8,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Acetanilide, 4'-acetyl-2,2,2-trifluoro-",24568-13-6,32487,"N-(4-acetylphenyl)-2,2,2-trifluoroacetamide",CC(=O)C1=CC=C(C=C1)NC(=O)C(F)(F)F,"InChI=1S/C10H8F3NO2/c1-6(15)7-2-4-8(5-3-7)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,16)",IILMTVMHMUEWFW-UHFFFAOYSA-N,C10H8F3NO2,231.17,231.050713,2.3,46.2,280,0,1,5,2,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 3-formyl-4-hydroxy-, methyl ester",24589-99-9,212595,methyl 3-formyl-4-hydroxybenzoate,COC(=O)C1=CC(=C(C=C1)O)C=O,"InChI=1S/C9H8O4/c1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-5,11H,1H3",ADSJCWKOKYOJSZ-UHFFFAOYSA-N,C9H8O4,180.16,180.0422587,1.4,63.6,202,0,1,4,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 4-hydroxy-3,5-dimethoxy-, 4-((aminoiminomethyl)amino)butyl ester",24697-74-3,161464,"4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxybenzoate",COC1=CC(=CC(=C1O)OC)C(=O)OCCCCN=C(N)N,"InChI=1S/C14H21N3O5/c1-20-10-7-9(8-11(21-2)12(10)18)13(19)22-6-4-3-5-17-14(15)16/h7-8,18H,3-6H2,1-2H3,(H4,15,16,17)",WNGSUWLDMZFYNZ-UHFFFAOYSA-N,C14H21N3O5,311.33,311.1481208,0.5,129,359,0,3,6,9,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanol, 2-((4-amino-3-nitrophenyl)amino)-",24905-87-1,5484089,2-(4-amino-3-nitroanilino)ethanol,C1=CC(=C(C=C1NCCO)[N+](=O)[O-])N,"InChI=1S/C8H11N3O3/c9-7-2-1-6(10-3-4-12)5-8(7)11(13)14/h1-2,5,10,12H,3-4,9H2",DAGCJJZWDAVKRE-UHFFFAOYSA-N,C8H11N3O3,197.19,197.0800412,0.5,104,195,0,3,5,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Phenethylamine, 2,5-dimethoxy-alpha-methyl-, hydrochloride",24973-25-9,62786,"1-(2,5-dimethoxyphenyl)propan-2-amine;hydrochloride",CC(CC1=C(C=CC(=C1)OC)OC)N.Cl,"InChI=1S/C11H17NO2.ClH/c1-8(12)6-9-7-10(13-2)4-5-11(9)14-3;/h4-5,7-8H,6,12H2,1-3H3;1H",OLBMBFHNGDUGST-UHFFFAOYSA-N,C11H18ClNO2,231.72,231.1026065,,44.5,163,0,2,3,4,15,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, (3-phenylpropyl)-",25017-27-0,212818,3-phenylpropylurea,C1=CC=C(C=C1)CCCNC(=O)N,"InChI=1S/C10H14N2O/c11-10(13)12-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H3,11,12,13)",YDORGPSKSSWFBX-UHFFFAOYSA-N,C10H14N2O,178.23,178.1106131,1.3,55.1,153,0,2,1,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbanilic acid, p-chloro-, 2-chloroethyl ester",25217-18-9,32841,2-chloroethyl N-(4-chlorophenyl)carbamate,C1=CC(=CC=C1NC(=O)OCCCl)Cl,"InChI=1S/C9H9Cl2NO2/c10-5-6-14-9(13)12-8-3-1-7(11)2-4-8/h1-4H,5-6H2,(H,12,13)",ZJFHLTWUBUCUGP-UHFFFAOYSA-N,C9H9Cl2NO2,234.08,233.0010339,3.2,38.3,182,0,1,2,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Carbanilic acid, 3,5-dichloro-, methyl ester",25217-43-0,32842,"methyl N-(3,5-dichlorophenyl)carbamate",COC(=O)NC1=CC(=CC(=C1)Cl)Cl,"InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-7-3-5(9)2-6(10)4-7/h2-4H,1H3,(H,11,12)",FRSRGACXHCLBTC-UHFFFAOYSA-N,C8H7Cl2NO2,220.05,218.9853839,3.2,38.3,179,0,1,2,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, ((4-chloro-o-tolyl)oxy)thio-, S-ethyl ester",25319-90-8,32876,S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate,CCSC(=O)COC1=C(C=C(C=C1)Cl)C,"InChI=1S/C11H13ClO2S/c1-3-15-11(13)7-14-10-5-4-9(12)6-8(10)2/h4-6H,3,7H2,1-2H3",AZFKQCNGMSSWDS-UHFFFAOYSA-N,C11H13ClO2S,244.74,244.0324785,3.7,51.6,211,0,0,3,5,15,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Benzene, 1,4-bis(1,2-dibromoethyl)-",25393-98-0,97018,"1,4-bis(1,2-dibromoethyl)benzene",C1=CC(=CC=C1C(CBr)Br)C(CBr)Br,"InChI=1S/C10H10Br4/c11-5-9(13)7-1-2-8(4-3-7)10(14)6-12/h1-4,9-10H,5-6H2",KDBQQANTDCVPDZ-UHFFFAOYSA-N,C10H10Br4,449.8,449.7475,4.6,0,136,0,0,0,4,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"Propionanilide, 2,6-dimethyl-",25404-20-0,101320,"N-(2,6-dimethylphenyl)propanamide",CCC(=O)NC1=C(C=CC=C1C)C,"InChI=1S/C11H15NO/c1-4-10(13)12-11-8(2)6-5-7-9(11)3/h5-7H,4H2,1-3H3,(H,12,13)",TXBNRQUPSDOCGX-UHFFFAOYSA-N,C11H15NO,177.24,177.1153641,1.8,29.1,169,0,1,1,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Propanediol, 2-phenyl-, dicarbamate",25451-15-4,3331,(3-carbamoyloxy-2-phenylpropyl) carbamate,C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N,"InChI=1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)",WKGXYQFOCVYPAC-UHFFFAOYSA-N,C11H14N2O4,238.24,238.0953569,0.6,105,246,0,2,4,7,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Benzeneboronic acid, m-carboxy-",25487-66-5,2733957,3-boronobenzoic acid,B(C1=CC(=CC=C1)C(=O)O)(O)O,"InChI=1S/C7H7BO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,11-12H,(H,9,10)",DBVFWZMQJQMJCB-UHFFFAOYSA-N,C7H7BO4,165.94,166.0437389,,77.8,171,0,3,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-Piperazinedione, 3,6-bis((aminooxy)methyl)-",25589-43-9,213146,"4-(2,5-dichloroanilino)-4-oxobutanoic acid",C1=CC(=C(C=C1Cl)NC(=O)CCC(=O)O)Cl,"InChI=1S/C10H9Cl2NO3/c11-6-1-2-7(12)8(5-6)13-9(14)3-4-10(15)16/h1-2,5H,3-4H2,(H,13,14)(H,15,16)",YBAQARIOHDXQBJ-UHFFFAOYSA-N,C10H9Cl2NO3,262.09,260.9959485,1.6,66.4,273,0,2,3,4,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Anisole, p-propenyl-, cis-",25679-28-1,1549040,1-methoxy-4-[(Z)-prop-1-enyl]benzene,C/C=C\C1=CC=C(C=C1)OC,"InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3-",RUVINXPYWBROJD-ARJAWSKDSA-N,C10H12O,148.2,148.088815,3.3,9.2,121,0,0,1,2,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"6-Nonenamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-, (Z)-",25775-90-0,1548942,(Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide,CC(C)/C=C\CCCCC(=O)NCC1=CC(=C(C=C1)O)OC,"InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6-",YKPUWZUDDOIDPM-VURMDHGXSA-N,C18H27NO3,305.4,305.1990937,3.6,58.6,341,0,2,3,9,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"Benzene, 1,3-bis(1,2-dibromoethyl)-",25850-49-1,117280,"1,3-bis(1,2-dibromoethyl)benzene",C1=CC(=CC(=C1)C(CBr)Br)C(CBr)Br,"InChI=1S/C10H10Br4/c11-5-9(13)7-2-1-3-8(4-7)10(14)6-12/h1-4,9-10H,5-6H2",BTMPLMJADSPMBB-UHFFFAOYSA-N,C10H10Br4,449.8,449.7475,4.6,0,146,0,0,0,4,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrazine, (p-methylbenzyl)-, hydrochloride",26177-51-5,33347,[(4-methylphenyl)methylamino]azanium chloride,CC1=CC=C(C=C1)CN[NH3+].[Cl-],"InChI=1S/C8H12N2.ClH/c1-7-2-4-8(5-3-7)6-10-9;/h2-5,10H,6,9H2,1H3;1H",FZDQALMNASCCIY-UHFFFAOYSA-N,C8H13ClN2,172.65,172.0767261,,39.7,85,0,2,2,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-Benzenediamine, 2-chloro-5-nitro-",26196-45-2,5484290,"2-chloro-5-nitrobenzene-1,4-diamine",C1=C(C(=CC(=C1[N+](=O)[O-])N)Cl)N,"InChI=1S/C6H6ClN3O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,8-9H2",VUNAQOGRLGNALG-UHFFFAOYSA-N,C6H6ClN3O2,187.58,187.0148541,1.6,97.9,184,0,2,4,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Hydroperoxide, diisopropylphenyl-",26762-93-6,73555666,"1-hydroperoxy-3,5-di(propan-2-yl)benzene",CC(C)C1=CC(=CC(=C1)OO)C(C)C,"InChI=1S/C12H18O2/c1-8(2)10-5-11(9(3)4)7-12(6-10)14-13/h5-9,13H,1-4H3",LQRLKPVYXRVAPK-UHFFFAOYSA-N,C12H18O2,194.27,194.1306798,3.7,29.5,150,0,1,2,3,14,"175 °F (USCG, 1999)",,0,0,1,1,1,0,1,1,0,0,0,0,1,0,0,1,1,1,0,0
"Acetanilide, 2',5'-dimethoxy-2-iodo-",26958-85-0,33652,"N-(2,5-dimethoxyphenyl)-2-iodoacetamide",COC1=CC(=C(C=C1)OC)NC(=O)CI,"InChI=1S/C10H12INO3/c1-14-7-3-4-9(15-2)8(5-7)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)",YZLASIUOKWQXAF-UHFFFAOYSA-N,C10H12INO3,321.11,320.98619,2,47.6,213,0,1,3,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, ar-ethoxy-",27043-22-7,108776,4-ethoxybenzamide,CCOC1=CC=C(C=C1)C(=O)N,"InChI=1S/C9H11NO2/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H2,10,11)",AZEIRPAUJXANCS-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,1.3,52.3,151,0,1,2,3,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, N-(2-((4-nitrophenyl)amino)ethyl)-",27080-42-8,7342344,2-(4-nitroanilino)ethylurea,C1=CC(=CC=C1NCCNC(=O)N)[N+](=O)[O-],"InChI=1S/C9H12N4O3/c10-9(14)12-6-5-11-7-1-3-8(4-2-7)13(15)16/h1-4,11H,5-6H2,(H3,10,12,14)",OJYWOOVHUFSZJP-UHFFFAOYSA-N,C9H12N4O3,224.22,224.0909403,0.5,113,246,0,3,4,4,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-Decanone, 1-(4-hydroxy-3-methoxyphenyl)-",27113-22-0,94378,1-(4-hydroxy-3-methoxyphenyl)decan-3-one,CCCCCCCC(=O)CCC1=CC(=C(C=C1)O)OC,"InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3",CZNLTCTYLMYLHL-UHFFFAOYSA-N,C17H26O3,278.4,278.1881947,3.8,46.5,265,0,1,3,10,20,,406.00 to 408.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Benzaldehyde, 3,6-dichloro-2-hydroxy-",27164-09-6,147153,"3,6-dichloro-2-hydroxybenzaldehyde",C1=CC(=C(C(=C1Cl)C=O)O)Cl,"InChI=1S/C7H4Cl2O2/c8-5-1-2-6(9)7(11)4(5)3-10/h1-3,11H",JQZDVFAQNRLCDC-UHFFFAOYSA-N,C7H4Cl2O2,191.01,189.9588348,3.2,37.3,151,0,1,2,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrazine, (m-bromophenyl)-, monohydrochloride",27246-81-7,33757,(3-bromophenyl)hydrazine;hydrochloride,C1=CC(=CC(=C1)Br)NN.Cl,"InChI=1S/C6H7BrN2.ClH/c7-5-2-1-3-6(4-5)9-8;/h1-4,9H,8H2;1H",RPYIPFXHIKXRKS-UHFFFAOYSA-N,C6H8BrClN2,223.5,221.95594,,38.1,87,0,3,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethylenediamine, N,N-dimethyl-N'-ethyl-N'-phenyl-",27692-91-7,33984,"N'-ethyl-N,N-dimethyl-N'-phenylethane-1,2-diamine",CCN(CCN(C)C)C1=CC=CC=C1,"InChI=1S/C12H20N2/c1-4-14(11-10-13(2)3)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3",FWAWELGQRMERND-UHFFFAOYSA-N,C12H20N2,192.3,192.1626486,2.8,6.5,139,0,0,2,5,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphorodithioic acid, S-benzyl O-butyl S-ethyl ester",27949-52-6,93117,[butoxy(ethylsulfanyl)phosphoryl]sulfanylmethylbenzene,CCCCOP(=O)(SCC)SCC1=CC=CC=C1,"InChI=1S/C13H21O2PS2/c1-3-5-11-15-16(14,17-4-2)18-12-13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3",WRIYPTGFYKBSFU-UHFFFAOYSA-N,C13H21O2PS2,304.4,304.0720593,3.4,76.9,255,0,0,4,9,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Glutamine, N(sup 2)-(phenylacetyl)-, L-",28047-15-6,92258,(2S)-5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoic acid,C1=CC=C(C=C1)CC(=O)N[C@@H](CCC(=O)N)C(=O)O,"InChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/t10-/m0/s1",JFLIEFSWGNOPJJ-JTQLQIEISA-N,C13H16N2O4,264.28,264.111007,0,109,338,0,3,4,7,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,4-Benzenetriol, 5-(2-aminoethyl)-, hydrochloride",28094-15-7,160157,"5-(2-aminoethyl)benzene-1,2,4-triol;hydrochloride",C1=C(C(=CC(=C1O)O)O)CCN.Cl,"InChI=1S/C8H11NO3.ClH/c9-2-1-5-3-7(11)8(12)4-6(5)10;/h3-4,10-12H,1-2,9H2;1H",QLMRJHFAGVFUAC-UHFFFAOYSA-N,C8H12ClNO3,205.64,205.0505709,,86.7,142,0,5,4,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 1-azido-4-fluoro-3-nitro-",28166-06-5,93121,4-azido-1-fluoro-2-nitrobenzene,C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])F,InChI=1S/C6H3FN4O2/c7-5-2-1-4(9-10-8)3-6(5)11(12)13/h1-3H,VCTBSHQJICJJFV-UHFFFAOYSA-N,C6H3FN4O2,182.11,182.0240035,2.8,60.2,248,0,0,5,1,13,,,0,1,1,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-",28343-61-5,34217,"2,4,5-trichloro-6-hydroxybenzene-1,3-dicarbonitrile",C(#N)C1=C(C(=C(C(=C1Cl)C#N)Cl)Cl)O,InChI=1S/C8HCl3N2O/c9-5-3(1-12)6(10)7(11)8(14)4(5)2-13/h14H,MDQKYGOECVSPIW-UHFFFAOYSA-N,C8HCl3N2O,247.5,245.915446,2.5,67.8,317,0,1,3,0,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"Phenol, 2-amino-4,5-dichloro-",28443-57-4,3015415,"2-amino-4,5-dichlorophenol",C1=C(C(=CC(=C1Cl)Cl)O)N,"InChI=1S/C6H5Cl2NO/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H,9H2",UVIBWGFLURLRHR-UHFFFAOYSA-N,C6H5Cl2NO,178.01,176.9748192,2.4,46.3,122,0,2,2,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cinnamonitrile, p-methoxy-",28446-68-6,1549677,(E)-3-(4-methoxyphenyl)prop-2-enenitrile,COC1=CC=C(C=C1)/C=C/C#N,"InChI=1S/C10H9NO/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-7H,1H3/b3-2+",CNBCNHHPIBKYBO-NSCUHMNNSA-N,C10H9NO,159.18,159.0684139,2.1,33,193,0,0,2,2,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cinnamonitrile, p-chloro-",28446-72-2,5371673,(E)-3-(4-chlorophenyl)prop-2-enenitrile,C1=CC(=CC=C1/C=C/C#N)Cl,InChI=1S/C9H6ClN/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6H/b2-1+,PPCNBCKABHGVMX-OWOJBTEDSA-N,C9H6ClN,163.6,163.0188769,2.3,23.8,181,0,0,1,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 1,3-dichloro-2-ethenyl-",28469-92-3,34254,"1,3-dichloro-2-ethenylbenzene",C=CC1=C(C=CC=C1Cl)Cl,"InChI=1S/C8H6Cl2/c1-2-6-7(9)4-3-5-8(6)10/h2-5H,1H2",YJCVRMIJBXTMNR-UHFFFAOYSA-N,C8H6Cl2,173.04,171.9846556,4,0,112,0,0,0,1,10,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, isooctyl ester",28473-03-2,598100,6-methylheptyl 2-(4-chloro-2-methylphenoxy)propanoate,CC1=C(C=CC(=C1)Cl)OC(C)C(=O)OCCCCCC(C)C,"InChI=1S/C18H27ClO3/c1-13(2)8-6-5-7-11-21-18(20)15(4)22-17-10-9-16(19)12-14(17)3/h9-10,12-13,15H,5-8,11H2,1-4H3",QSERAAUJOZXWGA-UHFFFAOYSA-N,C18H27ClO3,326.9,326.1648724,6.6,35.5,319,0,0,3,10,22,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Benzylamine, N,N-bis(2-bromoethyl)-, hydrobromide",28507-28-0,24188588,N-benzyl-2-bromo-N-(2-bromoethyl)ethanamine;hydrobromide,C1=CC=C(C=C1)CN(CCBr)CCBr.Br,"InChI=1S/C11H15Br2N.BrH/c12-6-8-14(9-7-13)10-11-4-2-1-3-5-11;/h1-5H,6-10H2;1H",TVLYNLNJLUKKAK-UHFFFAOYSA-N,C11H16Br3N,401.96,400.88124,,3.2,129,0,1,1,6,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Aniline, o-isopropoxy-",29026-74-2,34436,2-propan-2-yloxyaniline,CC(C)OC1=CC=CC=C1N,"InChI=1S/C9H13NO/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7H,10H2,1-2H3",PZOZYLSYQJYXBI-UHFFFAOYSA-N,C9H13NO,151.21,151.099714,2,35.3,114,0,1,2,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Toluene-2,4-diamine, N(sup 4),N(sup 4)-diethyl-3,5-dinitro-alpha,alpha,alpha-trifluoro-",29091-05-2,34468,"3-N,3-N-diethyl-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine",CCN(CC)C1=C(C=C(C(=C1[N+](=O)[O-])N)C(F)(F)F)[N+](=O)[O-],"InChI=1S/C11H13F3N4O4/c1-3-16(4-2)9-7(17(19)20)5-6(11(12,13)14)8(15)10(9)18(21)22/h5H,3-4,15H2,1-2H3",OFDYMSKSGFSLLM-UHFFFAOYSA-N,C11H13F3N4O4,322.24,322.0888894,3.2,121,419,0,1,9,3,22,,,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetanilide, 2-bromo-N-methyl-",29182-97-6,34495,2-bromo-N-methyl-N-phenylacetamide,CN(C1=CC=CC=C1)C(=O)CBr,"InChI=1S/C9H10BrNO/c1-11(9(12)7-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3",YLDILLQKQASWBA-UHFFFAOYSA-N,C9H10BrNO,228.09,226.99458,1.9,20.3,155,0,0,1,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hydrazine, (alpha-methylbenzyl)-, hydrochloride",29248-55-3,45792342,1-phenylethylhydrazine;hydrochloride,CC(C1=CC=CC=C1)NN.Cl,"InChI=1S/C8H12N2.ClH/c1-7(10-9)8-5-3-2-4-6-8;/h2-7,10H,9H2,1H3;1H",FLMNJZPWUCHXNJ-UHFFFAOYSA-N,C8H13ClN2,172.65,172.0767261,,38.1,87,0,3,2,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, sec-pentyl-",29316-05-0,17627,pentan-2-ylbenzene,CCCC(C)C1=CC=CC=C1,"InChI=1S/C11H16/c1-3-7-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3",LTHAIAJHDPJXLG-UHFFFAOYSA-N,C11H16,148.24,148.1252005,4.7,0,90,0,0,0,3,11,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Butenoic acid, 4-(4-chlorophenyl)-4-oxo-, (E)-",29582-39-6,671716,(E)-4-(4-chlorophenyl)-4-oxobut-2-enoic acid,C1=CC(=CC=C1C(=O)/C=C/C(=O)O)Cl,"InChI=1S/C10H7ClO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-6H,(H,13,14)/b6-5+",VQVQEUFKSRHRCT-AATRIKPKSA-N,C10H7ClO3,210.61,210.0083718,2.2,54.4,252,0,1,3,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butyric acid, 2-(p-methoxyphenyl)-",29644-99-3,34657,2-(4-methoxyphenyl)butanoic acid,CCC(C1=CC=C(C=C1)OC)C(=O)O,"InChI=1S/C11H14O3/c1-3-10(11(12)13)8-4-6-9(14-2)7-5-8/h4-7,10H,3H2,1-2H3,(H,12,13)",SHXBXUJGKPPUOS-UHFFFAOYSA-N,C11H14O3,194.23,194.0942943,2.3,46.5,183,0,1,3,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butyric acid, 2-(p-chlorophenyl)-",29645-00-9,34658,2-(4-chlorophenyl)butanoic acid,CCC(C1=CC=C(C=C1)Cl)C(=O)O,"InChI=1S/C10H11ClO2/c1-2-9(10(12)13)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3,(H,12,13)",CVZHTBMFVPENFE-UHFFFAOYSA-N,C10H11ClO2,198.64,198.0447573,2.9,37.3,174,0,1,2,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbamic acid, methyl-, 2-(ethylthiomethyl)phenyl ester",29973-13-5,34766,[2-(ethylsulfanylmethyl)phenyl] N-methylcarbamate,CCSCC1=CC=CC=C1OC(=O)NC,"InChI=1S/C11H15NO2S/c1-3-15-8-9-6-4-5-7-10(9)14-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)",HEZNVIYQEUHLNI-UHFFFAOYSA-N,C11H15NO2S,225.31,225.0823499,1.9,63.6,199,0,1,3,5,15,123Â °C,Decomposes on distillation,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Aniline, 4-chloro-2-ethyl-",30273-39-3,34871,4-chloro-2-ethylaniline,CCC1=C(C=CC(=C1)Cl)N,"InChI=1S/C8H10ClN/c1-2-6-5-7(9)3-4-8(6)10/h3-5H,2,10H2,1H3",FRZVXNRFFMHYFO-UHFFFAOYSA-N,C8H10ClN,155.62,155.050177,2.7,26,105,0,1,1,1,10,,,1,1,1,1,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0
"Pivalophenone, 4'-methyl-",30314-44-4,198093,"2,2-dimethyl-1-(4-methylphenyl)propan-1-one",CC1=CC=C(C=C1)C(=O)C(C)(C)C,"InChI=1S/C12H16O/c1-9-5-7-10(8-6-9)11(13)12(2,3)4/h5-8H,1-4H3",ZYWGAHRBGCEFAO-UHFFFAOYSA-N,C12H16O,176.25,176.1201151,3.5,17.1,180,0,0,1,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenethyl alcohol, p-methoxy-alpha-methyl-",30314-64-8,169145,1-(4-methoxyphenyl)propan-2-ol,CC(CC1=CC=C(C=C1)OC)O,"InChI=1S/C10H14O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8,11H,7H2,1-2H3",TXIWFQCAXKAOBZ-UHFFFAOYSA-N,C10H14O2,166.22,166.0993797,2,29.5,117,0,1,2,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-",31173-14-5,35748,2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol,CC(CC1=CC(=CC=C1)C(F)(F)F)NCCO,"InChI=1S/C12H16F3NO/c1-9(16-5-6-17)7-10-3-2-4-11(8-10)12(13,14)15/h2-4,8-9,16-17H,5-7H2,1H3",QAFJMZFAQFGVJS-UHFFFAOYSA-N,C12H16F3NO,247.26,247.1183986,2.3,32.3,220,0,2,5,5,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Succinanilic acid, 3'-(dihydroxyboryl)-",31754-00-4,208171,4-(3-boronoanilino)-4-oxobutanoic acid,B(C1=CC(=CC=C1)NC(=O)CCC(=O)O)(O)O,"InChI=1S/C10H12BNO5/c13-9(4-5-10(14)15)12-8-3-1-2-7(6-8)11(16)17/h1-3,6,16-17H,4-5H2,(H,12,13)(H,14,15)",SVHXAKJLLKGJGC-UHFFFAOYSA-N,C10H12BNO5,237.02,237.0808526,,107,284,0,4,5,5,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, 5-chloro-2-(methylamino)-",31823-19-5,97387,5-chloro-2-(methylamino)benzamide,CNC1=C(C=C(C=C1)Cl)C(=O)N,"InChI=1S/C8H9ClN2O/c1-11-7-3-2-5(9)4-6(7)8(10)12/h2-4,11H,1H3,(H2,10,12)",ZUYIIDOKGIRIKI-UHFFFAOYSA-N,C8H9ClN2O,184.62,184.0403406,1.9,55.1,174,0,2,2,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Catechol, 5-chloro-3-methyl-",31934-88-0,36022,"5-chloro-3-methylbenzene-1,2-diol",CC1=CC(=CC(=C1O)O)Cl,"InChI=1S/C7H7ClO2/c1-4-2-5(8)3-6(9)7(4)10/h2-3,9-10H,1H3",DEMKYMVOIBWYAM-UHFFFAOYSA-N,C7H7ClO2,158.58,158.0134572,1.3,40.5,118,0,2,2,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isothiocyanic acid, 4-bromo-3-chlorophenyl ester",32118-33-5,36067,1-bromo-2-chloro-4-isothiocyanatobenzene,C1=CC(=C(C=C1N=C=S)Cl)Br,InChI=1S/C7H3BrClNS/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H,NYJNWHXQEZOISL-UHFFFAOYSA-N,C7H3BrClNS,248.53,246.88581,4.6,44.5,181,0,0,2,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzaldehyde, 3-hydroxy-2,4-dimethoxy-",32246-34-7,122570,"3-hydroxy-2,4-dimethoxybenzaldehyde",COC1=C(C(=C(C=C1)C=O)OC)O,"InChI=1S/C9H10O4/c1-12-7-4-3-6(5-10)9(13-2)8(7)11/h3-5,11H,1-2H3",COBXDAOIDYGHGK-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,0.8,55.8,171,0,1,4,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Acetanilide, 4'-((2-(diethylamino)ethyl)carbamoyl)-",32795-44-1,4342,4-acetamido-N-[2-(diethylamino)ethyl]benzamide,CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C,"InChI=1S/C15H23N3O2/c1-4-18(5-2)11-10-16-15(20)13-6-8-14(9-7-13)17-12(3)19/h6-9H,4-5,10-11H2,1-3H3,(H,16,20)(H,17,19)",KEECCEWTUVWFCV-UHFFFAOYSA-N,C15H23N3O2,277.36,277.179027,0.7,61.4,308,0,2,3,7,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isobutyranilide, 2,6-dimethyl-",33098-76-9,36334,"N-(2,6-dimethylphenyl)-2-methylpropanamide",CC1=C(C(=CC=C1)C)NC(=O)C(C)C,"InChI=1S/C12H17NO/c1-8(2)12(14)13-11-9(3)6-5-7-10(11)4/h5-8H,1-4H3,(H,13,14)",IIRBAAZJVBNVAJ-UHFFFAOYSA-N,C12H17NO,191.27,191.1310142,2.1,29.1,190,0,1,1,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanol, 2,2'-((4-((2-hydroxyethyl)amino)-3-nitrophenyl)imino)di-",33229-34-4,36383,2-[4-[bis(2-hydroxyethyl)amino]-2-nitroanilino]ethanol,C1=CC(=C(C=C1N(CCO)CCO)[N+](=O)[O-])NCCO,"InChI=1S/C12H19N3O5/c16-6-3-13-11-2-1-10(9-12(11)15(19)20)14(4-7-17)5-8-18/h1-2,9,13,16-18H,3-8H2",MIWUTEVJIISHCP-UHFFFAOYSA-N,C12H19N3O5,285.3,285.1324707,0.4,122,281,0,4,7,8,20,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"Aniline, m-nitro-, monohydrochloride",33240-96-9,12215133,3-nitroaniline;hydrochloride,C1=CC(=CC(=C1)[N+](=O)[O-])N.Cl,"InChI=1S/C6H6N2O2.ClH/c7-5-2-1-3-6(4-5)8(9)10;/h1-4H,7H2;1H",FWUUMDDHHPVSPL-UHFFFAOYSA-N,C6H7ClN2O2,174.58,174.0196052,,71.8,132,0,2,3,0,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"p-Toluidine, N-(2-chloroethyl)-2,6-dinitro-N-propyl-alpha,alpha,alpha-trifluoro-",33245-39-5,36392,"N-(2-chloroethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline",CCCN(CCCl)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],"InChI=1S/C12H13ClF3N3O4/c1-2-4-17(5-3-13)11-9(18(20)21)6-8(12(14,15)16)7-10(11)19(22)23/h6-7H,2-5H2,1H3",MNFMIVVPXOGUMX-UHFFFAOYSA-N,C12H13ClF3N3O4,355.7,355.0546681,5,94.9,403,0,0,8,5,23,30 °C,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphoric acid, 2-bromo-1-(2,4-dichlorophenyl)vinyl diethyl ester",33399-00-7,105047,"[2-bromo-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate",CCOP(=O)(OCC)OC(=CBr)C1=C(C=C(C=C1)Cl)Cl,"InChI=1S/C12H14BrCl2O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3",ORDKAVSHIKNMAN-UHFFFAOYSA-N,C12H14BrCl2O4P,404.02,401.91901,3.2,44.8,370,0,0,4,7,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzyl alcohol, alpha-(1-aminoethyl)-m-hydroxy-, tartrate (1:1), D-(-)-",33402-03-8,441414,"3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;(2R,3R)-2,3-dihydroxybutanedioic acid",C[C@@H]([C@@H](C1=CC(=CC=C1)O)O)N.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C9H13NO2.C4H6O6/c1-6(10)9(12)7-3-2-4-8(11)5-7;5-1(3(7)8)2(6)4(9)10/h2-6,9,11-12H,10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t6-,9-;1-,2-/m01/s1",VENXSELNXQXCNT-IJYXXVHRSA-N,C13H19NO8,317.29,317.1110666,,182,274,0,7,9,5,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetanilide, 2,3',5'-trichloro-",33560-48-4,36550,"2-chloro-N-(3,5-dichlorophenyl)acetamide",C1=C(C=C(C=C1Cl)Cl)NC(=O)CCl,"InChI=1S/C8H6Cl3NO/c9-4-8(13)12-7-2-5(10)1-6(11)3-7/h1-3H,4H2,(H,12,13)",ZRTPLHDJASYNPE-UHFFFAOYSA-N,C8H6Cl3NO,238.5,236.951497,3.8,29.1,178,0,1,1,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Mandelonitrile, p-methoxy-",33646-40-1,36571,2-hydroxy-2-(4-methoxyphenyl)acetonitrile,COC1=CC=C(C=C1)C(C#N)O,"InChI=1S/C9H9NO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,9,11H,1H3",WLDAAMXETLHTER-UHFFFAOYSA-N,C9H9NO2,163.17,163.0633285,0.8,53.3,176,0,1,3,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonic acid, (p-hydroxyphenyl)-",33795-18-5,214694,(4-hydroxyphenyl)phosphonic acid,C1=CC(=CC=C1O)P(=O)(O)O,"InChI=1S/C6H7O4P/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H2,8,9,10)",YIDVLWDHYNWHMH-UHFFFAOYSA-N,C6H7O4P,174.09,174.0081957,0.2,77.8,167,0,3,4,1,11,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzamide, 2-(acetylamino)-",33809-77-7,118553,2-acetamidobenzamide,CC(=O)NC1=CC=CC=C1C(=O)N,"InChI=1S/C9H10N2O2/c1-6(12)11-8-5-3-2-4-7(8)9(10)13/h2-5H,1H3,(H2,10,13)(H,11,12)",WFKPHYKFAOXUTI-UHFFFAOYSA-N,C9H10N2O2,178.19,178.0742276,0.3,72.2,216,0,2,2,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, trifluoro-, 2-phenylhydrazide",34064-31-8,36669,"2,2,2-trifluoro-N'-phenylacetohydrazide",C1=CC=C(C=C1)NNC(=O)C(F)(F)F,"InChI=1S/C8H7F3N2O/c9-8(10,11)7(14)13-12-6-4-2-1-3-5-6/h1-5,12H,(H,13,14)",HWPBXYPSTIZFGV-UHFFFAOYSA-N,C8H7F3N2O,204.15,204.0510473,1.8,41.1,199,0,2,5,2,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propionamide, 2-chloro-N-(3,4-dimethoxyphenethyl)-",34164-16-4,214761,"2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide",CC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)Cl,"InChI=1S/C13H18ClNO3/c1-9(14)13(16)15-7-6-10-4-5-11(17-2)12(8-10)18-3/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)",MMWIZVNHBDQQKM-UHFFFAOYSA-N,C13H18ClNO3,271.74,271.0975211,2,47.6,263,0,1,3,6,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Styrene, m,beta-dinitro-, (E)-",34441-47-9,5355017,1-nitro-3-[(E)-2-nitroethenyl]benzene,C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/[N+](=O)[O-],InChI=1S/C8H6N2O4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-6H/b5-4+,YOEGXQQUPVDQEE-SNAWJCMRSA-N,C8H6N2O4,194.14,194.0327567,1.8,91.6,253,0,0,4,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbamic acid, diethylthio-, S-(o-chlorobenzyl) ester",34622-58-7,36867,"S-[(2-chlorophenyl)methyl] N,N-diethylcarbamothioate",CCN(CC)C(=O)SCC1=CC=CC=C1Cl,"InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-7-5-6-8-11(10)13/h5-8H,3-4,9H2,1-2H3",LLLFASISUZUJEQ-UHFFFAOYSA-N,C12H16ClNOS,257.78,257.064113,3.4,45.6,221,0,0,2,5,16,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Propanone, 2-bromo-1-(3-chlorophenyl)-",34911-51-8,4992116,2-bromo-1-(3-chlorophenyl)propan-1-one,CC(C(=O)C1=CC(=CC=C1)Cl)Br,"InChI=1S/C9H8BrClO/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6H,1H3",OFNMQTRHMBQQEA-UHFFFAOYSA-N,C9H8BrClO,247.51,245.94471,3.7,17.1,172,0,0,1,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"1-Propanone, 1-(3-chlorophenyl)-2-((1,1-dimethylethyl)amino)-, (+-)-",34911-55-2,444,2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,"InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3",SNPPWIUOZRMYNY-UHFFFAOYSA-N,C13H18ClNO,239.74,239.1076919,3.2,29.1,247,0,1,2,4,16,,BP: 52 °C at 0.005 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethylamine, 1-methyl-2-phenoxy-",35205-54-0,37087,1-phenoxypropan-2-amine,CC(COC1=CC=CC=C1)N,"InChI=1S/C9H13NO/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3",IKYFHRVPKIFGMH-UHFFFAOYSA-N,C9H13NO,151.21,151.099714,1.6,35.3,99,0,1,2,3,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, p-hydroxy-, ethyl ester, sodium deriv.",35285-68-8,52913806,,CCOC(=O)C1=CC=C(C=C1)O.[Na],"InChI=1S/C9H10O3.Na/c1-2-12-9(11)7-3-5-8(10)6-4-7;/h3-6,10H,2H2,1H3;",HLEKLAHSVAPCPF-UHFFFAOYSA-N,C9H10NaO3,189.16,189.0527635,,46.5,148,0,1,3,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, p-hydroxy-, propyl ester, sodium deriv.",35285-69-9,23679044,sodium 4-propoxycarbonylphenolate,CCCOC(=O)C1=CC=C(C=C1)[O-].[Na+],"InChI=1S/C10H12O3.Na/c1-2-7-13-10(12)8-3-5-9(11)6-4-8;/h3-6,11H,2,7H2,1H3;/q;+1/p-1",IXMINYBUNCWGER-UHFFFAOYSA-M,C10H11NaO3,202.18,202.0605885,,49.4,165,0,0,3,4,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Acetanilide, 4'-cyano-",35704-19-9,37256,N-(4-cyanophenyl)acetamide,CC(=O)NC1=CC=C(C=C1)C#N,"InChI=1S/C9H8N2O/c1-7(12)11-9-4-2-8(6-10)3-5-9/h2-5H,1H3,(H,11,12)",UFKRTEWFEYWIHD-UHFFFAOYSA-N,C9H8N2O,160.17,160.0636629,1.4,52.9,208,0,1,2,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propanamide, 2-amino-N-(2,6-dimethylphenyl)-, monohydrochloride",35891-93-1,108173,"2-amino-N-(2,6-dimethylphenyl)propanamide;hydrochloride",CC1=C(C(=CC=C1)C)NC(=O)C(C)N.Cl,"InChI=1S/C11H16N2O.ClH/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12;/h4-6,9H,12H2,1-3H3,(H,13,14);1H",AMZACPWEJDQXGW-UHFFFAOYSA-N,C11H17ClN2O,228.72,228.1029409,,55.1,195,0,3,2,2,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"p-Toluidine, 3-iodo-",35944-64-0,118889,3-iodo-4-methylaniline,CC1=C(C=C(C=C1)N)I,"InChI=1S/C7H8IN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3",RRUDMHNAMZFNEK-UHFFFAOYSA-N,C7H8IN,233.05,232.97015,2.3,26,94,0,1,1,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"Phosphoramidothioic acid, N-(sec-butyl)-, O-ethyl O-(6-nitro-m-tolyl) ester",36335-67-8,37419,N-[ethoxy-(5-methyl-2-nitrophenoxy)phosphinothioyl]butan-2-amine,CCC(C)NP(=S)(OCC)OC1=C(C=CC(=C1)C)[N+](=O)[O-],"InChI=1S/C13H21N2O4PS/c1-5-11(4)14-20(21,18-6-2)19-13-9-10(3)7-8-12(13)15(16)17/h7-9,11H,5-6H2,1-4H3,(H,14,21)",OEYOMNZEMCPTKN-UHFFFAOYSA-N,C13H21N2O4PS,332.36,332.0959653,4.7,108,391,0,1,6,7,21,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, p-hydroxy-, butyl ester, sodium salt",36457-20-2,23671890,sodium 4-butoxycarbonylphenolate,CCCCOC(=O)C1=CC=C(C=C1)[O-].[Na+],"InChI=1S/C11H14O3.Na/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9;/h4-7,12H,2-3,8H2,1H3;/q;+1/p-1",OGBHACNFHJJTQT-UHFFFAOYSA-M,C11H13NaO3,216.21,216.0762386,,49.4,177,0,0,3,5,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Carbanilic acid, p-methyl-, isopropyl ester",36613-26-0,37489,propan-2-yl N-(4-methylphenyl)carbamate,CC1=CC=C(C=C1)NC(=O)OC(C)C,"InChI=1S/C11H15NO2/c1-8(2)14-11(13)12-10-6-4-9(3)5-7-10/h4-8H,1-3H3,(H,12,13)",OCJDJZUWXVNOQW-UHFFFAOYSA-N,C11H15NO2,193.24,193.1102787,3,38.3,184,0,1,2,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethylamine, N-methyl-2-phenoxy-",37421-04-8,37732,N-methyl-2-phenoxyethanamine,CNCCOC1=CC=CC=C1,"InChI=1S/C9H13NO/c1-10-7-8-11-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3",GUMBNOITRNRLCS-UHFFFAOYSA-N,C9H13NO,151.21,151.099714,1.4,21.3,89,0,1,2,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzaldehyde, 2,4-dihydroxy-5-hexyl-",37470-87-4,37737,"5-hexyl-2,4-dihydroxybenzaldehyde",CCCCCCC1=CC(=C(C=C1O)O)C=O,"InChI=1S/C13H18O3/c1-2-3-4-5-6-10-7-11(9-14)13(16)8-12(10)15/h7-9,15-16H,2-6H2,1H3",UBCGVJPYIHKJRH-UHFFFAOYSA-N,C13H18O3,222.28,222.1255944,4.2,57.5,205,0,2,3,6,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Phenethylamine, N-ethyl-alpha-methyl-m-trifluoromethyl-, l-",37577-24-5,65801,(2R)-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine,CCN[C@H](C)CC1=CC(=CC=C1)C(F)(F)F,"InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/t9-/m1/s1",DBGIVFWFUFKIQN-SECBINFHSA-N,C12H16F3N,231.26,231.123484,3.4,12,203,0,1,4,4,16,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 5-amino-2-chloro-, hydrogen sulfate",37984-73-9,45048959,5-amino-2-chlorobenzoic acid;sulfuric acid,C1=CC(=C(C=C1N)C(=O)O)Cl.OS(=O)(=O)O,"InChI=1S/C7H6ClNO2.H2O4S/c8-6-2-1-4(9)3-5(6)7(10)11;1-5(2,3)4/h1-3H,9H2,(H,10,11);(H2,1,2,3,4)",OTRJMQKDZHIDKW-UHFFFAOYSA-N,C7H8ClNO6S,269.66,268.9760858,,146,244,0,4,7,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hexanophenone, 4'-amino-",38237-76-2,37983,1-(4-aminophenyl)hexan-1-one,CCCCCC(=O)C1=CC=C(C=C1)N,"InChI=1S/C12H17NO/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9H,2-5,13H2,1H3",YDQJFPLRVSPPGE-UHFFFAOYSA-N,C12H17NO,191.27,191.1310142,2.8,43.1,171,0,1,2,5,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzenemethanol, 4-amino-3,5-dichloro-alpha-(((1-methylethyl)amino)methyl)-",38339-11-6,217246,"1-(4-amino-3,5-dichlorophenyl)-2-(propan-2-ylamino)ethanol",CC(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O,"InChI=1S/C11H16Cl2N2O/c1-6(2)15-5-10(16)7-3-8(12)11(14)9(13)4-7/h3-4,6,10,15-16H,5,14H2,1-2H3",JXUDZCJTCKCTQK-UHFFFAOYSA-N,C11H16Cl2N2O,263.16,262.0639685,2,58.3,204,0,3,3,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenemethanol, 4-amino-3,5-dichloro-alpha-(((2-hydroxy-1,1-dimethylethyl)amino)methyl)-",38339-18-3,217252,"2-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol",CC(C)(CO)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O,"InChI=1S/C12H18Cl2N2O2/c1-12(2,6-17)16-5-10(18)7-3-8(13)11(15)9(14)4-7/h3-4,10,16-18H,5-6,15H2,1-2H3",BWURCANZQUYPLR-UHFFFAOYSA-N,C12H18Cl2N2O2,293.19,292.0745332,1.1,78.5,254,0,4,4,5,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbanilic acid, o-methyl-, isopropyl ester",38365-93-4,38011,propan-2-yl N-(2-methylphenyl)carbamate,CC1=CC=CC=C1NC(=O)OC(C)C,"InChI=1S/C11H15NO2/c1-8(2)14-11(13)12-10-7-5-4-6-9(10)3/h4-8H,1-3H3,(H,12,13)",ZXWUJVHQAPETCL-UHFFFAOYSA-N,C11H15NO2,193.24,193.1102787,2.5,38.3,192,0,1,2,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 4-hydroxy-, nonyl ester",38713-56-3,586708,nonyl 4-hydroxybenzoate,CCCCCCCCCOC(=O)C1=CC=C(C=C1)O,"InChI=1S/C16H24O3/c1-2-3-4-5-6-7-8-13-19-16(18)14-9-11-15(17)12-10-14/h9-12,17H,2-8,13H2,1H3",MBNSKHJDYXPONL-UHFFFAOYSA-N,C16H24O3,264.36,264.1725446,5.9,46.5,232,0,1,3,10,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzoic acid, p-isobutyl-",38861-88-0,38111,4-(2-methylpropyl)benzoic acid,CC(C)CC1=CC=C(C=C1)C(=O)O,"InChI=1S/C11H14O2/c1-8(2)7-9-3-5-10(6-4-9)11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)",VUBBCFWWSKOHTH-UHFFFAOYSA-N,C11H14O2,178.23,178.0993797,3.7,37.3,167,0,1,2,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butenoic acid, 2-((3-nitrophenyl)methylene)-3-oxo-, 2-methoxyethyl ester",39562-22-6,2063485,2-methoxyethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate,CC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)OCCOC,"InChI=1S/C14H15NO6/c1-10(16)13(14(17)21-7-6-20-2)9-11-4-3-5-12(8-11)15(18)19/h3-5,8-9H,6-7H2,1-2H3/b13-9+",UVZJPCAZMGLNTB-UKTHLTGXSA-N,C14H15NO6,293.27,293.0899372,1.7,98.4,426,0,0,6,7,21,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"Cinnamaldehyde, beta-chloro-",40133-53-7,5706425,(Z)-3-chloro-3-phenylprop-2-enal,C1=CC=C(C=C1)/C(=C/C=O)/Cl,InChI=1S/C9H7ClO/c10-9(6-7-11)8-4-2-1-3-5-8/h1-7H/b9-6-,MJLAQCMQXBYZQC-TWGQIWQCSA-N,C9H7ClO,166.6,166.0185425,2.2,17.1,157,0,0,1,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Norephedrine, hydrochloride, (+)-",40626-29-7,6433169,"(1S,2R)-2-amino-1-phenylpropan-1-ol;hydrochloride",C[C@H]([C@H](C1=CC=CC=C1)O)N.Cl,"InChI=1S/C9H13NO.ClH/c1-7(10)9(11)8-5-3-2-4-6-8;/h2-7,9,11H,10H2,1H3;1H/t7-,9-;/m1./s1",DYWNLSQWJMTVGJ-PRCZDLBKSA-N,C9H14ClNO,187.66,187.0763918,,46.3,110,0,3,2,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, ((4-hydroxyphenyl)amino)oxo-, ethyl ester",40821-49-6,218577,ethyl 2-(4-hydroxyanilino)-2-oxoacetate,CCOC(=O)C(=O)NC1=CC=C(C=C1)O,"InChI=1S/C10H11NO4/c1-2-15-10(14)9(13)11-7-3-5-8(12)6-4-7/h3-6,12H,2H2,1H3,(H,11,13)",QCPBOVKHIFMZPM-UHFFFAOYSA-N,C10H11NO4,209.2,209.0688078,1.1,75.6,234,0,2,4,4,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 4-(allyloxy)-3,5-dichloro-",41727-45-1,38951,"3,5-dichloro-4-prop-2-enoxybenzoic acid",C=CCOC1=C(C=C(C=C1Cl)C(=O)O)Cl,"InChI=1S/C10H8Cl2O3/c1-2-3-15-9-7(11)4-6(10(13)14)5-8(9)12/h2,4-5H,1,3H2,(H,13,14)",RXLVKVUKUULKAK-UHFFFAOYSA-N,C10H8Cl2O3,247.07,245.9850495,3.3,46.5,233,0,1,3,4,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Phenethylamine, 4-iodo-2,5-dimethoxy-alpha-methyl-, hydrochloride",42203-78-1,170617,"1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine;hydrochloride",CC(CC1=CC(=C(C=C1OC)I)OC)N.Cl,"InChI=1S/C11H16INO2.ClH/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2;/h5-7H,4,13H2,1-3H3;1H",QVFDMWGKHUFODK-UHFFFAOYSA-N,C11H17ClINO2,357.61,356.99925,,44.5,191,0,2,3,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Salicylic acid, 5-amino-, methyl ester",42753-75-3,135127,methyl 5-amino-2-hydroxybenzoate,COC(=O)C1=C(C=CC(=C1)N)O,"InChI=1S/C8H9NO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,9H2,1H3",MXUHMQZOATZRIK-UHFFFAOYSA-N,C8H9NO3,167.16,167.0582431,2.3,72.6,172,0,2,4,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Acetamide, 2-amino-N-(2-(2,5-dimethoxyphenyl)-2-hydroxyethyl)-",42794-76-3,4195,"2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide",COC1=CC(=C(C=C1)OC)C(CNC(=O)CN)O,"InChI=1S/C12H18N2O4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16)",PTKSEFOSCHHMPD-UHFFFAOYSA-N,C12H18N2O4,254.28,254.1266571,-0.6,93.8,262,0,3,5,6,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide",43100-38-5,123513,4-tert-butylbenzohydrazide,CC(C)(C)C1=CC=C(C=C1)C(=O)NN,"InChI=1S/C11H16N2O/c1-11(2,3)9-6-4-8(5-7-9)10(14)13-12/h4-7H,12H2,1-3H3,(H,13,14)",XYUFQWDLRLHUPB-UHFFFAOYSA-N,C11H16N2O,192.26,192.1262631,2,55.1,200,0,2,2,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butyronitrile, 4-dimethylamino-2-phenyl-",50599-78-5,39739,4-(dimethylamino)-2-phenylbutanenitrile,CN(C)CCC(C#N)C1=CC=CC=C1,"InChI=1S/C12H16N2/c1-14(2)9-8-12(10-13)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3",SKQMIWWQYUSWFP-UHFFFAOYSA-N,C12H16N2,188.27,188.1313485,2,27,196,0,0,2,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Triazene, 1-ethyl-3-(p-tolyl)-",50707-40-9,98546,N-(ethyldiazenyl)-4-methylaniline,CCN=NNC1=CC=C(C=C1)C,"InChI=1S/C9H13N3/c1-3-10-12-11-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,10,11)",BPOZIJBDYFHEJR-UHFFFAOYSA-N,C9H13N3,163.22,163.1109474,3,36.8,137,0,1,3,3,12,,,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0
"Ethanol, 2-(4-amino-3-nitrophenoxy)-",50982-74-6,148519,2-(4-amino-3-nitrophenoxy)ethanol,C1=CC(=C(C=C1OCCO)[N+](=O)[O-])N,"InChI=1S/C8H10N2O4/c9-7-2-1-6(14-4-3-11)5-8(7)10(12)13/h1-2,5,11H,3-4,9H2",UTHUZYBSSBFPES-UHFFFAOYSA-N,C8H10N2O4,198.18,198.0640568,1.2,101,194,0,2,5,3,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Benzyl alcohol, p-methoxy-alpha-vinyl-",51410-44-7,40003,1-(4-methoxyphenyl)prop-2-en-1-ol,COC1=CC=C(C=C1)C(C=C)O,"InChI=1S/C10H12O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h3-7,10-11H,1H2,2H3",RUPMSBPCFQDMAY-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,1.9,29.5,137,0,1,2,3,12,,,0,0,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,1,0,0
"Phenethylamine, alpha-methyl-N-propyl-",51799-32-7,103544,1-phenyl-N-propylpropan-2-amine,CCCNC(C)CC1=CC=CC=C1,"InChI=1S/C12H19N/c1-3-9-13-11(2)10-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3",SNPGTHLGFHVIDA-UHFFFAOYSA-N,C12H19N,177.29,177.1517496,3.1,12,116,0,1,1,5,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propanoic acid, 2-(4-acetylphenoxy)-2-methyl-",52179-07-4,104106,2-(4-acetylphenoxy)-2-methylpropanoic acid,CC(=O)C1=CC=C(C=C1)OC(C)(C)C(=O)O,"InChI=1S/C12H14O4/c1-8(13)9-4-6-10(7-5-9)16-12(2,3)11(14)15/h4-7H,1-3H3,(H,14,15)",CDUYSGJRDZEJPK-UHFFFAOYSA-N,C12H14O4,222.24,222.0892089,1.6,63.6,275,0,1,4,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"Phenol, 4-amino-2-methoxy-",52200-90-5,101296,4-amino-2-methoxyphenol,COC1=C(C=CC(=C1)N)O,"InChI=1S/C7H9NO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,8H2,1H3",MCNBYOWWTITHIG-UHFFFAOYSA-N,C7H9NO2,139.15,139.0633285,0.1,55.5,108,0,2,3,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butyric acid, 2-ethyl-2-phenyl-, 2-(2-(diethylamino)ethoxy)ethyl ester, citrate",52432-72-1,9936727,"2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate;2-hydroxypropane-1,2,3-tricarboxylic acid",CCC(CC)(C1=CC=CC=C1)C(=O)OCCOCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,"InChI=1S/C20H33NO3.C6H8O7/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4;7-3(8)1-6(13,5(11)12)2-4(9)10/h9-13H,5-8,14-17H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",KVKJFNUGVOFNGU-UHFFFAOYSA-N,C26H41NO10,527.6,527.2730465,,171,559,0,4,11,18,37,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenethylamine, m-trifluoromethyl-",52516-30-0,104223,2-[3-(trifluoromethyl)phenyl]ethanamine,C1=CC(=CC(=C1)C(F)(F)F)CCN,"InChI=1S/C9H10F3N/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,6H,4-5,13H2",BPVYCXMGJPKOTQ-UHFFFAOYSA-N,C9H10F3N,189.18,189.0765338,2.1,26,155,0,1,4,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethyl alcohol, p-iodo-",52914-23-5,3040770,2-(4-iodophenyl)ethanol,C1=CC(=CC=C1CCO)I,"InChI=1S/C8H9IO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2",GYUSTTSSRXDFKG-UHFFFAOYSA-N,C8H9IO,248.06,247.96981,2.1,20.2,87,0,1,1,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenesulfonamide, 4-amino-3-chloro-",53297-68-0,1502014,4-amino-3-chlorobenzenesulfonamide,C1=CC(=C(C=C1S(=O)(=O)N)Cl)N,"InChI=1S/C6H7ClN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)",LFIOFZKZCDMGFG-UHFFFAOYSA-N,C6H7ClN2O2S,206.65,205.9916763,0.8,94.6,249,0,2,4,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, alpha-ethyl-",53309-89-0,103771,1-phenylbutan-2-amine,CCC(CC1=CC=CC=C1)N,"InChI=1S/C10H15N/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7,10H,2,8,11H2,1H3",IOLQWLOHKZENDW-UHFFFAOYSA-N,C10H15N,149.23,149.1204495,2.3,26,95,0,1,1,3,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 2-((ethylsulfinyl)methyl)-, methylcarbamate",53380-22-6,3035207,[2-(ethylsulfinylmethyl)phenyl] N-methylcarbamate,CCS(=O)CC1=CC=CC=C1OC(=O)NC,"InChI=1S/C11H15NO3S/c1-3-16(14)8-9-6-4-5-7-10(9)15-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)",OMOLDRXZKFFGJI-UHFFFAOYSA-N,C11H15NO3S,241.31,241.0772645,0.5,74.6,258,0,1,4,5,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenethylamine, 4-bromo-2,5-dimethoxy-alpha-methyl-, hydrobromide, DL-",53581-53-6,62064,"1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide",CC(CC1=CC(=C(C=C1OC)Br)OC)N.Br,"InChI=1S/C11H16BrNO2.BrH/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2;/h5-7H,4,13H2,1-3H3;1H",KOUBEZAODVTFTG-UHFFFAOYSA-N,C11H17Br2NO2,355.07,354.96055,,44.5,191,0,2,3,4,16,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ammonium, trimethyl(alpha-methylbenzyl)-, iodide",53759-17-4,40887,trimethyl(1-phenylethyl)azanium iodide,CC(C1=CC=CC=C1)[N+](C)(C)C.[I-],"InChI=1S/C11H18N.HI/c1-10(12(2,3)4)11-8-6-5-7-9-11;/h5-10H,1-4H3;1H/q+1;/p-1",YOCNHAYWAZXNAZ-UHFFFAOYSA-M,C11H18IN,291.17,291.0484,,0,128,0,0,1,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzaldehyde, 4-hydroxy-3-(hydroxymethyl)-",54030-32-9,40975,4-hydroxy-3-(hydroxymethyl)benzaldehyde,C1=CC(=C(C=C1C=O)CO)O,"InChI=1S/C8H8O3/c9-4-6-1-2-8(11)7(3-6)5-10/h1-4,10-11H,5H2",SCXZNYRQOPBUTM-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,0.5,57.5,135,0,2,3,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzonitrile, 2-amino-5-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-",54239-37-1,2755,2-amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitrile,CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O,"InChI=1S/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3",BUXRLJCGHZZYNE-UHFFFAOYSA-N,C12H17N3O,219.28,219.1371622,1.7,82.1,258,0,3,4,4,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Ethanol, 2,2'-((4-aminophenyl)imino)bis-, sulfate (salt), hydrate (1:1:1)",54381-16-7,93296,2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol;sulfuric acid,C1=CC(=CC=C1N)N(CCO)CCO.OS(=O)(=O)O,"InChI=1S/C10H16N2O2.H2O4S/c11-9-1-3-10(4-2-9)12(5-7-13)6-8-14;1-5(2,3)4/h1-4,13-14H,5-8,11H2;(H2,1,2,3,4)",KMCFMEHSEWDYKG-UHFFFAOYSA-N,C10H18N2O6S,294.33,294.0885575,,153,222,0,5,8,5,19,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"Phosphoramidothioic acid, ethyl-, O-(2-chloro-4-(methylthio)phenyl) O-methyl ester",54381-26-9,108583,N-[(2-chloro-4-methylsulfanylphenoxy)-methoxyphosphinothioyl]ethanamine,CCNP(=S)(OC)OC1=C(C=C(C=C1)SC)Cl,"InChI=1S/C10H15ClNO2PS2/c1-4-12-15(16,13-2)14-10-6-5-8(17-3)7-9(10)11/h5-7H,4H2,1-3H3,(H,12,16)",KHHCRIPDPIOVAF-UHFFFAOYSA-N,C10H15ClNO2PS2,311.8,310.9970358,3.8,87.9,283,0,1,5,6,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, p-(cyanovinyl)-",54718-86-4,6180381,4-[(E)-2-cyanoethenyl]benzoic acid,C1=CC(=CC=C1/C=C/C#N)C(=O)O,"InChI=1S/C10H7NO2/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1-6H,(H,12,13)/b2-1+",BAWSWEWUJBUEDV-OWOJBTEDSA-N,C10H7NO2,173.17,173.0476785,2,61.1,253,0,1,3,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Pentanone, 5-methoxy-1-(4-(trifluoromethyl)phenyl)-, O-(2-aminoethyl)oxime, (E)-",54739-18-3,5324346,2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine,COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F,"InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+",CJOFXWAVKWHTFT-XSFVSMFZSA-N,C15H21F3N2O2,318.33,318.1555124,2.6,56.8,327,0,1,7,9,22,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
"Phenol, 5-((2-hydroxyethyl)amino)-2-methyl-",55302-96-0,134396,5-(2-hydroxyethylamino)-2-methylphenol,CC1=C(C=C(C=C1)NCCO)O,"InChI=1S/C9H13NO2/c1-7-2-3-8(6-9(7)12)10-4-5-11/h2-3,6,10-12H,4-5H2,1H3",YGRFRBUGAPOJDU-UHFFFAOYSA-N,C9H13NO2,167.2,167.0946287,1.3,52.5,130,0,3,3,3,12,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"o-Acetanisidide, 2-chloro-",55860-22-5,41647,2-chloro-N-(2-methoxyphenyl)acetamide,COC1=CC=CC=C1NC(=O)CCl,"InChI=1S/C9H10ClNO2/c1-13-8-5-3-2-4-7(8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)",IBXYYSDKRPMGKD-UHFFFAOYSA-N,C9H10ClNO2,199.63,199.0400063,1.7,38.3,175,0,1,2,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-Pentanedione, 3-(phenylazo)-",56276-49-4,91785,"3-phenyldiazenylpentane-2,4-dione",CC(=O)C(C(=O)C)N=NC1=CC=CC=C1,"InChI=1S/C11H12N2O2/c1-8(14)11(9(2)15)13-12-10-6-4-3-5-7-10/h3-7,11H,1-2H3",KZPRCESDIPAEAE-UHFFFAOYSA-N,C11H12N2O2,204.22,204.0898776,1.8,58.9,254,0,0,4,4,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneacetic acid, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-",56392-14-4,62936,2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetic acid,CC(C)NCC(COC1=CC=C(C=C1)CC(=O)O)O,"InChI=1S/C14H21NO4/c1-10(2)15-8-12(16)9-19-13-5-3-11(4-6-13)7-14(17)18/h3-6,10,12,15-16H,7-9H2,1-2H3,(H,17,18)",PUQIRTNPJRFRCZ-UHFFFAOYSA-N,C14H21NO4,267.32,267.1470582,-1.5,78.8,262,0,3,5,8,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamidine, m-nitro-, hydrochloride",56406-50-9,12456162,3-nitrobenzenecarboximidamide;hydrochloride,C1=CC(=CC(=C1)[N+](=O)[O-])C(=N)N.Cl,"InChI=1S/C7H7N3O2.ClH/c8-7(9)5-2-1-3-6(4-5)10(11)12;/h1-4H,(H3,8,9);1H",DKNQVJWYIUJWNC-UHFFFAOYSA-N,C7H8ClN3O2,201.61,201.0305042,,95.7,199,0,3,3,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, alpha,alpha-dimethyl-p-methoxy-, hydrochloride",56490-93-8,91891,1-(4-methoxyphenyl)-2-methylpropan-2-amine;hydrochloride,CC(C)(CC1=CC=C(C=C1)OC)N.Cl,"InChI=1S/C11H17NO.ClH/c1-11(2,12)8-9-4-6-10(13-3)7-5-9;/h4-7H,8,12H2,1-3H3;1H",BXOCBNXPOIPDTL-UHFFFAOYSA-N,C11H18ClNO,215.72,215.1076919,,35.3,148,0,2,2,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzaldehyde, 2,4-dichloro-, oxime",56843-28-8,6434542,"(NE)-N-[(2,4-dichlorophenyl)methylidene]hydroxylamine",C1=CC(=C(C=C1Cl)Cl)/C=N/O,"InChI=1S/C7H5Cl2NO/c8-6-2-1-5(4-10-11)7(9)3-6/h1-4,11H/b10-4+",ONJQBRVMFRQQIG-ONNFQVAWSA-N,C7H5Cl2NO,190.02,188.9748192,2.9,32.6,151,0,1,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 4-amino-3,5-dichloro-",56961-25-2,42061,"4-amino-3,5-dichlorobenzoic acid",C1=C(C=C(C(=C1Cl)N)Cl)C(=O)O,"InChI=1S/C7H5Cl2NO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,10H2,(H,11,12)",UHXYYTSWBYTDPD-UHFFFAOYSA-N,C7H5Cl2NO2,206.02,204.9697338,2.6,63.3,176,0,2,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, N'-(3-acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-N,N-diethyl-",56980-93-9,2663,"3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea",CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C,"InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)",JOATXPAWOHTVSZ-UHFFFAOYSA-N,C20H33N3O4,379.5,379.2471065,1.9,90.9,474,0,3,5,10,27,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanone, 1-(5-amino-2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-",56980-94-0,148785,1-[5-amino-2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]ethanone,CC(=O)C1=C(C=CC(=C1)N)OCC(CNC(C)(C)C)O,"InChI=1S/C15H24N2O3/c1-10(18)13-7-11(16)5-6-14(13)20-9-12(19)8-17-15(2,3)4/h5-7,12,17,19H,8-9,16H2,1-4H3",NDSFAFIRRXLJNE-UHFFFAOYSA-N,C15H24N2O3,280.36,280.1786926,1.3,84.6,315,0,3,5,7,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphorothioic acid, O-(2,6-dichloro-p-tolyl) O,O-dimethyl ester",57018-04-9,91664,"(2,6-dichloro-4-methylphenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane",CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl,"InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3",OBZIQQJJIKNWNO-UHFFFAOYSA-N,C9H11Cl2O3PS,301.13,299.9543578,4.7,59.8,259,0,0,4,4,16,>100 °C (>212 °F),,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Urea, 3-(3-acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-1,1-diethyl-,monohydrochloride",57470-78-7,42373,"3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea;hydrochloride",CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C.Cl,"InChI=1S/C20H33N3O4.ClH/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6;/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26);1H",VKJHTUVLJYWAEY-UHFFFAOYSA-N,C20H34ClN3O4,416,415.2237843,,90.9,474,0,4,5,10,28,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, N'-(3-acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-N'-(1,1-dimethylethyl)-",57471-01-9,21122811,1-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-tert-butylurea,CC(=O)C1=C(C=CC(=C1)NC(=O)NC(C)(C)C)OCC(CNC(C)(C)C)O,"InChI=1S/C20H33N3O4/c1-13(24)16-10-14(22-18(26)23-20(5,6)7)8-9-17(16)27-12-15(25)11-21-19(2,3)4/h8-10,15,21,25H,11-12H2,1-7H3,(H2,22,23,26)",HJFOOUMUEFZBDQ-UHFFFAOYSA-N,C20H33N3O4,379.5,379.2471065,1.9,99.7,496,0,4,5,9,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2-sulfamoyl-, methyl ester",57683-71-3,42546,methyl 2-sulfamoylbenzoate,COC(=O)C1=CC=CC=C1S(=O)(=O)N,"InChI=1S/C8H9NO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)",VSOOBQALJVLTBH-UHFFFAOYSA-N,C8H9NO4S,215.23,215.0252289,0.3,94.8,306,0,1,5,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenamine, 2-chloro-6-nitro-4-(trifluoromethyl)-",57729-79-0,2734081,2-chloro-6-nitro-4-(trifluoromethyl)aniline,C1=C(C=C(C(=C1[N+](=O)[O-])N)Cl)C(F)(F)F,"InChI=1S/C7H4ClF3N2O2/c8-4-1-3(7(9,10)11)2-5(6(4)12)13(14)15/h1-2H,12H2",JLWRJMVXRUKFPA-UHFFFAOYSA-N,C7H4ClF3N2O2,240.57,239.9913396,3.1,71.8,256,0,1,6,0,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Penten-3-one, 1-(3,4-dimethoxyphenyl)-4,4-dimethyl-",58344-29-9,6257227,"(E)-1-(3,4-dimethoxyphenyl)-4,4-dimethylpent-1-en-3-one",CC(C)(C)C(=O)/C=C/C1=CC(=C(C=C1)OC)OC,"InChI=1S/C15H20O3/c1-15(2,3)14(16)9-7-11-6-8-12(17-4)13(10-11)18-5/h6-10H,1-5H3/b9-7+",DUOQAPIZFRFCLJ-VQHVLOKHSA-N,C15H20O3,248.32,248.1412445,3,35.5,301,0,0,3,5,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanimidamide, 2-(2-chlorophenoxy)-, monohydrochloride",58403-03-5,2745914,2-(2-chlorophenoxy)ethanimidamide;hydrochloride,C1=CC=C(C(=C1)OCC(=N)N)Cl.Cl,"InChI=1S/C8H9ClN2O.ClH/c9-6-3-1-2-4-7(6)12-5-8(10)11;/h1-4H,5H2,(H3,10,11);1H",WPWKAEFYVGWTAE-UHFFFAOYSA-N,C8H10Cl2N2O,221.08,220.0170183,,59.1,163,0,3,2,3,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propenamide, 3-(3-bromophenyl)-N-ethyl-, (E)-",58473-74-8,688145,(E)-3-(3-bromophenyl)-N-ethylprop-2-enamide,CCNC(=O)/C=C/C1=CC(=CC=C1)Br,"InChI=1S/C11H12BrNO/c1-2-13-11(14)7-6-9-4-3-5-10(12)8-9/h3-8H,2H2,1H3,(H,13,14)/b7-6+",LDCXGZCEMNMWIL-VOTSOKGWSA-N,C11H12BrNO,254.12,253.01023,2.7,29.1,215,0,1,1,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 3,4-bis(acetyloxy)-",58534-64-8,94097,"3,4-diacetyloxybenzoic acid",CC(=O)OC1=C(C=C(C=C1)C(=O)O)OC(=O)C,"InChI=1S/C11H10O6/c1-6(12)16-9-4-3-8(11(14)15)5-10(9)17-7(2)13/h3-5H,1-2H3,(H,14,15)",FJVSTYFZOUSZCS-UHFFFAOYSA-N,C11H10O6,238.19,238.047738,1.2,89.9,324,0,1,6,5,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 4-chloro-3-((dimethylamino)sulfonyl)-",59210-61-6,853079,4-chloro-3-(dimethylsulfamoyl)benzoic acid,CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl,"InChI=1S/C9H10ClNO4S/c1-11(2)16(14,15)8-5-6(9(12)13)3-4-7(8)10/h3-5H,1-2H3,(H,12,13)",YMPQIPORTHDIJK-UHFFFAOYSA-N,C9H10ClNO4S,263.7,263.0019067,1.2,83.1,362,0,1,5,3,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 3-(aminosulfonyl)-4-bromo-",59815-19-9,554216,4-bromo-3-sulfamoylbenzoic acid,C1=CC(=C(C=C1C(=O)O)S(=O)(=O)N)Br,"InChI=1S/C7H6BrNO4S/c8-5-2-1-4(7(10)11)3-6(5)14(9,12)13/h1-3H,(H,10,11)(H2,9,12,13)",XDNAVLYDHZTCRB-UHFFFAOYSA-N,C7H6BrNO4S,280.1,278.92009,0.7,106,323,0,2,5,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanol, 2-((2-(2-hydroxyethoxy)-4-nitrophenyl)amino)-",59820-43-8,62158,2-[2-(2-hydroxyethoxy)-4-nitroanilino]ethanol,C1=CC(=C(C=C1[N+](=O)[O-])OCCO)NCCO,"InChI=1S/C10H14N2O5/c13-4-3-11-9-2-1-8(12(15)16)7-10(9)17-6-5-14/h1-2,7,11,13-14H,3-6H2",PNENOUKIPPERMY-UHFFFAOYSA-N,C10H14N2O5,242.23,242.0902716,0.3,108,233,0,3,6,6,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanol, 2-(3-(methylamino)-4-nitrophenoxy)-",59820-63-2,93326,2-[3-(methylamino)-4-nitrophenoxy]ethanol,CNC1=C(C=CC(=C1)OCCO)[N+](=O)[O-],"InChI=1S/C9H12N2O4/c1-10-8-6-7(15-5-4-12)2-3-9(8)11(13)14/h2-3,6,10,12H,4-5H2,1H3",IUTYXFLUCZMDMM-UHFFFAOYSA-N,C9H12N2O4,212.2,212.0797069,1.6,87.3,207,0,2,5,4,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 1,1-dimethyl-3-(2,4,6-trichlorophenyl)-",60006-07-7,3042578,"1,1-dimethyl-3-(2,4,6-trichlorophenyl)urea",CN(C)C(=O)NC1=C(C=C(C=C1Cl)Cl)Cl,"InChI=1S/C9H9Cl3N2O/c1-14(2)9(15)13-8-6(11)3-5(10)4-7(8)12/h3-4H,1-2H3,(H,13,15)",OALYUGQHXIWDRN-UHFFFAOYSA-N,C9H9Cl3N2O,267.5,265.978046,3,32.3,225,0,1,1,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Benzenedisulfonamide, 4-amino-6-(trichloroethenyl)-",60200-06-8,43231,"4-amino-6-(1,2,2-trichloroethenyl)benzene-1,3-disulfonamide",C1=C(C(=CC(=C1N)S(=O)(=O)N)S(=O)(=O)N)C(=C(Cl)Cl)Cl,"InChI=1S/C8H8Cl3N3O4S2/c9-7(8(10)11)3-1-4(12)6(20(14,17)18)2-5(3)19(13,15)16/h1-2H,12H2,(H2,13,15,16)(H2,14,17,18)",QOVTVIYTBRHADL-UHFFFAOYSA-N,C8H8Cl3N3O4S2,380.7,378.902181,1.2,163,604,0,3,7,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0
"Benzyl alcohol, alpha-aminomethyl-2,5-dimethoxy-, hydrochloride",60407-53-6,53256698,"2-amino-1-(2,5-dimethoxyphenyl)ethanol;hydrochloride",COC1=CC(=C(C=C1)OC)C(CN)O.Cl,"InChI=1S/C10H15NO3.ClH/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11;/h3-5,9,12H,6,11H2,1-2H3;1H",VOWFSTQCEXIMLP-UHFFFAOYSA-N,C10H16ClNO3,233.69,233.0818711,,64.7,165,0,3,4,4,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, o-butoxy-",60444-92-0,43269,2-butoxybenzamide,CCCCOC1=CC=CC=C1C(=O)N,"InChI=1S/C11H15NO2/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13/h4-7H,2-3,8H2,1H3,(H2,12,13)",VPTQXJGFCHOGAN-UHFFFAOYSA-N,C11H15NO2,193.24,193.1102787,2.1,52.3,182,0,1,2,5,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"DL-Alanine, 2-(4-chlorophenyl)-1,1-dimethylethyl ester, hydrochloride",60719-83-7,11957454,[1-(4-chlorophenyl)-2-methylpropan-2-yl] 2-aminopropanoate;hydrochloride,CC(C(=O)OC(C)(C)CC1=CC=C(C=C1)Cl)N.Cl,"InChI=1S/C13H18ClNO2.ClH/c1-9(15)12(16)17-13(2,3)8-10-4-6-11(14)7-5-10;/h4-7,9H,8,15H2,1-3H3;1H",OPAKSOWFKIUFNP-UHFFFAOYSA-N,C13H19Cl2NO2,292.2,291.0792842,,52.3,260,0,2,3,5,18,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanone, 2-bromo-1-(2,4-dimethoxyphenyl)-",60965-26-6,98683,"2-bromo-1-(2,4-dimethoxyphenyl)ethanone",COC1=CC(=C(C=C1)C(=O)CBr)OC,"InChI=1S/C10H11BrO3/c1-13-7-3-4-8(9(12)6-11)10(5-7)14-2/h3-5H,6H2,1-2H3",PKVBZABQCCQHLD-UHFFFAOYSA-N,C10H11BrO3,259.1,257.98916,2.3,35.5,196,0,0,3,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzeneethanamine, 4-(1-methylethyl)-, hydrochloride",61035-87-8,3045699,2-(4-propan-2-ylphenyl)ethanamine;hydrochloride,CC(C)C1=CC=C(C=C1)CCN.Cl,"InChI=1S/C11H17N.ClH/c1-9(2)11-5-3-10(4-6-11)7-8-12;/h3-6,9H,7-8,12H2,1-2H3;1H",NWRYIWFBCRAGSR-UHFFFAOYSA-N,C11H18ClN,199.72,199.1127773,,26,112,0,2,1,3,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Protocatechuic acid, 5-bromo-",61203-46-1,162935,"3-bromo-4,5-dihydroxybenzoic acid",C1=C(C=C(C(=C1O)O)Br)C(=O)O,"InChI=1S/C7H5BrO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,9-10H,(H,11,12)",XCTQCHNCFZFEGN-UHFFFAOYSA-N,C7H5BrO4,233.02,231.93712,1.7,77.8,184,0,3,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, p-fluoro-beta-methoxy-alpha-methyl-, hydrochloride",62064-77-1,3046421,1-(4-fluorophenyl)-1-methoxypropan-2-amine;hydrochloride,CC(C(C1=CC=C(C=C1)F)OC)N.Cl,"InChI=1S/C10H14FNO.ClH/c1-7(12)10(13-2)8-3-5-9(11)6-4-8;/h3-7,10H,12H2,1-2H3;1H",XADRANRZZGBWID-UHFFFAOYSA-N,C10H15ClFNO,219.68,219.08262,,35.3,146,0,2,3,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propanoic acid, 2-(4-chloro-3-methylphenoxy)-2-methyl-",62443-89-4,1531518,2-(4-chloro-3-methylphenoxy)-2-methylpropanoic acid,CC1=C(C=CC(=C1)OC(C)(C)C(=O)O)Cl,"InChI=1S/C11H13ClO3/c1-7-6-8(4-5-9(7)12)15-11(2,3)10(13)14/h4-6H,1-3H3,(H,13,14)",YPACJSWITQPMFV-UHFFFAOYSA-N,C11H13ClO3,228.67,228.055322,2.9,46.5,240,0,1,3,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneethanol, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-",62572-94-5,162181,1-[4-(2-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol,CC(C)NCC(COC1=CC=C(C=C1)CCO)O,"InChI=1S/C14H23NO3/c1-11(2)15-9-13(17)10-18-14-5-3-12(4-6-14)7-8-16/h3-6,11,13,15-17H,7-10H2,1-2H3",CUKXSBOAIJILRY-UHFFFAOYSA-N,C14H23NO3,253.34,253.1677936,1.3,61.7,203,0,3,4,8,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneethanamine, 4-ethoxy-, hydrochloride",62885-82-9,143354,2-(4-ethoxyphenyl)ethanamine,CCOC1=CC=C(C=C1)CCN,"InChI=1S/C10H15NO/c1-2-12-10-5-3-9(4-6-10)7-8-11/h3-6H,2,7-8,11H2,1H3",OQIMYLCOTAZDEZ-UHFFFAOYSA-N,C10H15NO,165.23,165.1153641,1.6,35.3,108,0,1,2,4,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Benzeneethanol, alpha-((methylamino)methyl)-",63009-94-9,3047196,1-(methylamino)-3-phenylpropan-2-ol,CNCC(CC1=CC=CC=C1)O,"InChI=1S/C10H15NO/c1-11-8-10(12)7-9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3",QKDPDTZVDBRIFG-UHFFFAOYSA-N,C10H15NO,165.23,165.1153641,1.2,32.3,110,0,2,2,4,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Propanone, 2-((1,1-dimethylethyl)amino)-1-phenyl-, hydrochloride",63199-74-6,3047298,2-(tert-butylamino)-1-phenylpropan-1-one;hydrochloride,CC(C(=O)C1=CC=CC=C1)NC(C)(C)C.Cl,"InChI=1S/C13H19NO.ClH/c1-10(14-13(2,3)4)12(15)11-8-6-5-7-9-11;/h5-10,14H,1-4H3;1H",OXZBSTLIANDWJA-UHFFFAOYSA-N,C13H20ClNO,241.76,241.123342,,29.1,211,0,2,2,4,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenesulfonic acid, 4-amino-3-methyl-, monosodium salt",63450-43-1,23695986,sodium 4-amino-3-methylbenzenesulfonate,CC1=C(C=CC(=C1)S(=O)(=O)[O-])N.[Na+],"InChI=1S/C7H9NO3S.Na/c1-5-4-6(12(9,10)11)2-3-7(5)8;/h2-4H,8H2,1H3,(H,9,10,11);/q;+1/p-1",RVSNUNNCRYLEEM-UHFFFAOYSA-M,C7H8NNaO3S,209.2,209.0122586,,91.6,249,0,1,4,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzamide, 4-amino-3,5-dichloro-N-methyl-",63887-30-9,45043,"4-amino-3,5-dichloro-N-methylbenzamide",CNC(=O)C1=CC(=C(C(=C1)Cl)N)Cl,"InChI=1S/C8H8Cl2N2O/c1-12-8(13)4-2-5(9)7(11)6(10)3-4/h2-3H,11H2,1H3,(H,12,13)",VWCIKDGTRYRDSG-UHFFFAOYSA-N,C8H8Cl2N2O,219.06,218.0013683,2.3,55.1,189,0,2,2,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, o-(beta-hydroxy)ethoxy-",63906-79-6,45167,2-(2-hydroxyethoxy)benzamide,C1=CC=C(C(=C1)C(=O)N)OCCO,"InChI=1S/C9H11NO3/c10-9(12)7-3-1-2-4-8(7)13-6-5-11/h1-4,11H,5-6H2,(H2,10,12)",AKHALQJNHJAYRL-UHFFFAOYSA-N,C9H11NO3,181.19,181.0738932,0.2,72.6,172,0,2,3,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1-(3-chloro-o-tolyl)-2-thio-",63980-70-1,2757700,(3-chloro-2-methylphenyl)thiourea,CC1=C(C=CC=C1Cl)NC(=S)N,"InChI=1S/C8H9ClN2S/c1-5-6(9)3-2-4-7(5)11-8(10)12/h2-4H,1H3,(H3,10,11,12)",AHBGQCBZPGOVQK-UHFFFAOYSA-N,C8H9ClN2S,200.69,200.0174972,1.8,70.1,174,0,2,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1-(4-chloro-o-tolyl)-2-thio-",63980-71-2,2757702,(4-chloro-2-methylphenyl)thiourea,CC1=C(C=CC(=C1)Cl)NC(=S)N,"InChI=1S/C8H9ClN2S/c1-5-4-6(9)2-3-7(5)11-8(10)12/h2-4H,1H3,(H3,10,11,12)",ZTEGMOSORJUJFG-UHFFFAOYSA-N,C8H9ClN2S,200.69,200.0174972,2,70.1,174,0,2,1,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzyl alcohol, alpha-(1-(methylamino)propyl)-, hydrochloride, (+-)-",63991-28-6,46259,(1-hydroxy-1-phenylbutan-2-yl)-methylazanium chloride,CCC(C(C1=CC=CC=C1)O)[NH2+]C.[Cl-],"InChI=1S/C11H17NO.ClH/c1-3-10(12-2)11(13)9-7-5-4-6-8-9;/h4-8,10-13H,3H2,1-2H3;1H",DBIYVUUUZVZMQD-UHFFFAOYSA-N,C11H18ClNO,215.72,215.1076919,,36.8,132,0,2,2,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Tyrosine, 3-fluoro-, D-",64024-06-2,719318,(2R)-2-amino-3-(3-fluoro-4-hydroxyphenyl)propanoic acid,C1=CC(=C(C=C1C[C@H](C(=O)O)N)F)O,"InChI=1S/C9H10FNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m1/s1",VIIAUOZUUGXERI-SSDOTTSWSA-N,C9H10FNO3,199.18,199.0644713,-2.3,83.6,212,0,3,5,3,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzyl alcohol, alpha-(1-aminobutyl)-, hydrochloride",64037-35-0,12843462,2-amino-1-phenylpentan-1-ol;hydrochloride,CCCC(C(C1=CC=CC=C1)O)N.Cl,"InChI=1S/C11H17NO.ClH/c1-2-6-10(12)11(13)9-7-4-3-5-8-9;/h3-5,7-8,10-11,13H,2,6,12H2,1H3;1H",IIOOMPVSYKQIRA-UHFFFAOYSA-N,C11H18ClNO,215.72,215.1076919,,46.3,132,0,3,2,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 2,4-dichloro-6-nitro-, sodium salt",64047-88-7,46741,"sodium 2,4-dichloro-6-nitrophenolate",C1=C(C=C(C(=C1[N+](=O)[O-])[O-])Cl)Cl.[Na+],"InChI=1S/C6H3Cl2NO3.Na/c7-3-1-4(8)6(10)5(2-3)9(11)12;/h1-2,10H;/q;+1/p-1",QSYAEOJYDZZOHF-UHFFFAOYSA-M,C6H2Cl2NNaO3,229.98,228.9309426,,68.9,184,0,0,3,0,13,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenethylamine, o-bromo-alpha,alpha-dimethyl-, hydrochloride",64057-67-6,116476,1-(2-bromophenyl)-2-methylpropan-2-amine;hydrochloride,CC(C)(CC1=CC=CC=C1Br)N.Cl,"InChI=1S/C10H14BrN.ClH/c1-10(2,12)7-8-5-3-4-6-9(8)11;/h3-6H,7,12H2,1-2H3;1H",FPZUHICPEXBVJW-UHFFFAOYSA-N,C10H15BrClN,264.59,263.00764,,26,145,0,2,1,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphorodithioic acid, S-(2-((4-chlorophenyl)(1-methylethyl)amino)-2-oxoethyl)-,O,O-dimethyl ester",64249-01-0,91687,N-(4-chlorophenyl)-2-dimethoxyphosphinothioylsulfanyl-N-propan-2-ylacetamide,CC(C)N(C1=CC=C(C=C1)Cl)C(=O)CSP(=S)(OC)OC,"InChI=1S/C13H19ClNO3PS2/c1-10(2)15(12-7-5-11(14)6-8-12)13(16)9-21-19(20,17-3)18-4/h5-8,10H,9H2,1-4H3",NXQDBZGWYSEGFL-UHFFFAOYSA-N,C13H19ClNO3PS2,367.9,367.0232505,3.8,96.2,382,0,0,5,7,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Propanone, 2,2-dimethyl-1-(4-fluorophenyl)-",64436-59-5,94612,"1-(4-fluorophenyl)-2,2-dimethylpropan-1-one",CC(C)(C)C(=O)C1=CC=C(C=C1)F,"InChI=1S/C11H13FO/c1-11(2,3)10(13)8-4-6-9(12)7-5-8/h4-7H,1-3H3",NDBBINMFHIVBMW-UHFFFAOYSA-N,C11H13FO,180.22,180.0950432,3.1,17.1,185,0,0,2,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethynesulfonamide, 2-phenyl-",64984-31-2,327653,2-phenylethynesulfonamide,C1=CC=C(C=C1)C#CS(=O)(=O)N,"InChI=1S/C8H7NO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,(H2,9,10,11)",ZZUZYEMRHCMVTB-UHFFFAOYSA-N,C8H7NO2S,181.21,181.0197496,1.1,68.5,295,0,1,3,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1-(2,6-xylyl)-3-methylamidino-, hydrochloride",65009-35-0,47509,"1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride",CC1=C(C(=CC=C1)C)NC(=O)NC(=NC)N.Cl,"InChI=1S/C11H16N4O.ClH/c1-7-5-4-6-8(2)9(7)14-11(16)15-10(12)13-3;/h4-6H,1-3H3,(H4,12,13,14,15,16);1H",INMBONSHXVMDSX-UHFFFAOYSA-N,C11H17ClN4O,256.73,256.1090889,,79.5,267,0,4,2,2,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 4-((2-hydroxyethyl)amino)-3-nitro-",65235-31-6,5488102,4-(2-hydroxyethylamino)-3-nitrophenol,C1=CC(=C(C=C1O)[N+](=O)[O-])NCCO,"InChI=1S/C8H10N2O4/c11-4-3-9-7-2-1-6(12)5-8(7)10(13)14/h1-2,5,9,11-12H,3-4H2",UXKLYBMQAHYULT-UHFFFAOYSA-N,C8H10N2O4,198.18,198.0640568,1.3,98.3,194,0,3,5,3,14,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"1,2-Benzenedicarbonitrile, 4-fluoro-",65610-14-2,103423,"4-fluorobenzene-1,2-dicarbonitrile",C1=CC(=C(C=C1F)C#N)C#N,InChI=1S/C8H3FN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H,QQEKYCCJLSRLEC-UHFFFAOYSA-N,C8H3FN2,146.12,146.0280263,1.5,47.6,231,0,0,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"p-Cymene, bromo-",65724-11-0,47719,1-(bromomethyl)-4-propan-2-ylbenzene,CC(C)C1=CC=C(C=C1)CBr,"InChI=1S/C10H13Br/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,7H2,1-2H3",YXTHBZLABLYGEE-UHFFFAOYSA-N,C10H13Br,213.11,212.02006,4.3,0,101,0,0,0,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Acetamide, 2-chloro-N-((3,4-dimethoxyphenyl)methyl)-",65836-72-8,2392259,"2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide",COC1=C(C=C(C=C1)CNC(=O)CCl)OC,"InChI=1S/C11H14ClNO3/c1-15-9-4-3-8(5-10(9)16-2)7-13-11(14)6-12/h3-5H,6-7H2,1-2H3,(H,13,14)",CETPWRGZGWGPSV-UHFFFAOYSA-N,C11H14ClNO3,243.68,243.066221,1.2,47.6,225,0,1,3,5,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanol, 2-((2-methoxy-4-nitrophenyl)amino)-",66095-81-6,3017645,2-(2-methoxy-4-nitroanilino)ethanol,COC1=C(C=CC(=C1)[N+](=O)[O-])NCCO,"InChI=1S/C9H12N2O4/c1-15-9-6-7(11(13)14)2-3-8(9)10-4-5-12/h2-3,6,10,12H,4-5H2,1H3",DZFVBIGUJAYIFJ-UHFFFAOYSA-N,C9H12N2O4,212.2,212.0797069,1.3,87.3,207,0,2,5,4,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propanol, 1-(4-((2-(1-methylethoxy)ethoxy)methyl)phenoxy)-3-((1-methylethyl)amino)-",66722-44-9,2405,1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol,CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O,"InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3",VHYCDWMUTMEGQY-UHFFFAOYSA-N,C18H31NO4,325.4,325.2253085,1.9,60,278,0,2,5,12,23,,445.0±45.0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamothioic acid, methyl-, S-(4-((methylsulfonyl)oxy)phenyl) ester",66952-49-6,93362,[4-(methylcarbamoylsulfanyl)phenyl] methanesulfonate,CNC(=O)SC1=CC=C(C=C1)OS(=O)(=O)C,"InChI=1S/C9H11NO4S2/c1-10-9(11)15-8-5-3-7(4-6-8)14-16(2,12)13/h3-6H,1-2H3,(H,10,11)",IXJOSTZEBSTPAG-UHFFFAOYSA-N,C9H11NO4S2,261.3,261.0129502,1.6,106,328,0,1,5,4,16,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"m-Toluic acid, alpha,alpha,alpha-trifluoro-, sodium salt",69226-41-1,23681918,sodium 3-(trifluoromethyl)benzoate,C1=CC(=CC(=C1)C(F)(F)F)C(=O)[O-].[Na+],"InChI=1S/C8H5F3O2.Na/c9-8(10,11)6-3-1-2-5(4-6)7(12)13;/h1-4H,(H,12,13);/q;+1/p-1",FETAXBXCYXFUNC-UHFFFAOYSA-M,C8H4F3NaO2,212.1,212.0061081,,40.1,205,0,0,5,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenepropanoic acid, beta-(aminomethyl)-4-chloro-, (beta-R)-",69308-37-8,44602,(3R)-4-amino-3-(4-chlorophenyl)butanoic acid,C1=CC(=CC=C1[C@@H](CC(=O)O)CN)Cl,"InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1",KPYSYYIEGFHWSV-QMMMGPOBSA-N,C10H12ClNO2,213.66,213.0556563,-1,63.3,191,0,2,3,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"Succinamic acid, N-(3,4-dimethylphenyl)-",69517-61-9,578337,"4-(3,4-dimethylanilino)-4-oxobutanoic acid",CC1=C(C=C(C=C1)NC(=O)CCC(=O)O)C,"InChI=1S/C12H15NO3/c1-8-3-4-10(7-9(8)2)13-11(14)5-6-12(15)16/h3-4,7H,5-6H2,1-2H3,(H,13,14)(H,15,16)",IOPDCIWZBHGMOA-UHFFFAOYSA-N,C12H15NO3,221.25,221.1051933,1.5,66.4,265,0,2,3,4,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hydrazine, (2-o-tolyloxyethyl)-, hydrochloride",69781-93-7,17446,2-(2-methylphenoxy)ethylhydrazine,CC1=CC=CC=C1OCCNN,"InChI=1S/C9H14N2O/c1-8-4-2-3-5-9(8)12-7-6-11-10/h2-5,11H,6-7,10H2,1H3",BUGCVJPDUIVJBL-UHFFFAOYSA-N,C9H14N2O,166.22,166.1106131,1.5,47.3,119,0,2,3,4,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Salicylic acid, octanoate",70424-62-3,3053800,2-octanoyloxybenzoic acid,CCCCCCCC(=O)OC1=CC=CC=C1C(=O)O,"InChI=1S/C15H20O4/c1-2-3-4-5-6-11-14(16)19-13-10-8-7-9-12(13)15(17)18/h7-10H,2-6,11H2,1H3,(H,17,18)",LKLYETYHDMXRAF-UHFFFAOYSA-N,C15H20O4,264.32,264.1361591,4.2,63.6,288,0,1,4,9,19,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,1
"Sulfone, p-chlorobenzyl 2-chloroethyl",71501-39-8,99233,1-chloro-4-(2-chloroethylsulfonylmethyl)benzene,C1=CC(=CC=C1CS(=O)(=O)CCCl)Cl,"InChI=1S/C9H10Cl2O2S/c10-5-6-14(12,13)7-8-1-3-9(11)4-2-8/h1-4H,5-7H2",VYKADJACAOZSEZ-UHFFFAOYSA-N,C9H10Cl2O2S,253.14,251.9778561,2.3,42.5,250,0,0,2,4,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanol, 2-(p-chlorobenzylthio)-",71501-40-1,198536,2-[(4-chlorophenyl)methylsulfanyl]ethanol,C1=CC(=CC=C1CSCCO)Cl,"InChI=1S/C9H11ClOS/c10-9-3-1-8(2-4-9)7-12-6-5-11/h1-4,11H,5-7H2",DKNBCVYGWWWYEP-UHFFFAOYSA-N,C9H11ClOS,202.7,202.0219138,2.3,45.5,113,0,1,2,4,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzaldehyde, 2-(difluoromethoxy)-",71653-64-0,2736984,2-(difluoromethoxy)benzaldehyde,C1=CC=C(C(=C1)C=O)OC(F)F,"InChI=1S/C8H6F2O2/c9-8(10)12-7-4-2-1-3-6(7)5-11/h1-5,8H",QPBNHDFPMRENBC-UHFFFAOYSA-N,C8H6F2O2,172.13,172.0335858,2.6,26.3,150,0,0,4,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Propanone, 2-amino-1-phenyl-, (2S)-, hydrochloride",72739-14-1,11956149,(2S)-2-amino-1-phenylpropan-1-one;hydrochloride,C[C@@H](C(=O)C1=CC=CC=C1)N.Cl,"InChI=1S/C9H11NO.ClH/c1-7(10)9(11)8-5-3-2-4-6-8;/h2-7H,10H2,1H3;1H/t7-;/m0./s1",HPZCAKYHISJOIK-FJXQXJEOSA-N,C9H12ClNO,185.65,185.0607417,,43.1,138,0,2,2,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Benzenedicarboxamide, N,N'-bis(2,3-dihydroxypropyl)-5-((methoxyacetyl)amino)-N-methyl-2,4,6-triiodo-",73334-07-3,3736,"1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-3-N-methylbenzene-1,3-dicarboxamide",CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)NC(=O)COC)I,"InChI=1S/C18H24I3N3O8/c1-24(4-9(28)6-26)18(31)12-13(19)11(17(30)22-3-8(27)5-25)14(20)16(15(12)21)23-10(29)7-32-2/h8-9,25-28H,3-7H2,1-2H3,(H,22,30)(H,23,29)",DGAIEPBNLOQYER-UHFFFAOYSA-N,C18H24I3N3O8,791.1,790.8698,-2.1,169,647,0,6,8,11,32,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbanilic acid, 1-carboxyethyl ester",73622-98-7,51886,2-(phenylcarbamoyloxy)propanoic acid,CC(C(=O)O)OC(=O)NC1=CC=CC=C1,"InChI=1S/C10H11NO4/c1-7(9(12)13)15-10(14)11-8-5-3-2-4-6-8/h2-7H,1H3,(H,11,14)(H,12,13)",HYIHYWQSOXTJFS-UHFFFAOYSA-N,C10H11NO4,209.2,209.0688078,1.5,75.6,236,0,2,4,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzonitrile, 2,5-dimethyl-4-nitro-",73713-69-6,52273,"2,5-dimethyl-4-nitrobenzonitrile",CC1=CC(=C(C=C1[N+](=O)[O-])C)C#N,"InChI=1S/C9H8N2O2/c1-6-4-9(11(12)13)7(2)3-8(6)5-10/h3-4H,1-2H3",AIJHILQDGSFDQP-UHFFFAOYSA-N,C9H8N2O2,176.17,176.0585775,2.2,69.6,250,0,0,3,0,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzylamine, N,N-dimethyl-, hexafluoroarsenate (1-)",73747-22-5,52340,benzyl(dimethyl)azanium;hexafluoroarsenic(1-),C[NH+](C)CC1=CC=CC=C1.F[As-](F)(F)(F)(F)F,"InChI=1S/C9H13N.AsF6/c1-10(2)8-9-6-4-3-5-7-9;2-1(3,4,5,6)7/h3-7H,8H2,1-2H3;/q;-1/p+1",MPKPQZCDGPSHGO-UHFFFAOYSA-O,C9H14AsF6N,325.13,325.024638,,4.4,145,0,1,7,2,17,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenethyl-alpha,beta,beta-d3-amine, alpha-methyl-d3-",73758-26-6,3056366,"1,1,1,2,3,3-hexadeuterio-3-phenylpropan-2-amine",[2H]C([2H])([2H])C([2H])(C([2H])([2H])C1=CC=CC=C1)N,"InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/i1D3,7D2,8D",KWTSXDURSIMDCE-ZQLKWRTGSA-N,C9H13N,141.24,141.1424599,1.8,26,84,0,1,1,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"o-Cresol, 6-chloro-4-nitroso-",73791-20-5,52483,2-chloro-6-methyl-4-nitrosophenol,CC1=CC(=CC(=C1O)Cl)N=O,"InChI=1S/C7H6ClNO2/c1-4-2-5(9-11)3-6(8)7(4)10/h2-3,10H,1H3",PTUGLBVXDWBNSD-UHFFFAOYSA-N,C7H6ClNO2,171.58,171.0087061,1.9,49.7,153,0,1,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Propylamine, 1-methyl-3-phenyl-, hydrochloride",73839-93-7,3056798,4-phenylbutan-2-amine;hydrochloride,CC(CCC1=CC=CC=C1)N.Cl,"InChI=1S/C10H15N.ClH/c1-9(11)7-8-10-5-3-2-4-6-10;/h2-6,9H,7-8,11H2,1H3;1H",LVQSUJANKVLTKT-UHFFFAOYSA-N,C10H16ClN,185.69,185.0971272,,26,95,0,2,1,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanol, 2-(3,4-dichlorobenzylideneamino)-",73927-26-1,96999,"2-[(3,4-dichlorophenyl)methylideneamino]ethanol",C1=CC(=C(C=C1C=NCCO)Cl)Cl,"InChI=1S/C9H9Cl2NO/c10-8-2-1-7(5-9(8)11)6-12-3-4-13/h1-2,5-6,13H,3-4H2",BLJGXQPGHLLDRO-UHFFFAOYSA-N,C9H9Cl2NO,218.08,217.0061193,2.3,32.6,175,0,1,2,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Tyrosine, 3,5-diiodo-, ethyl ester, hydrochloride, L-",74051-47-1,3057569,"ethyl (2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate;hydrochloride",CCOC(=O)[C@H](CC1=CC(=C(C(=C1)I)O)I)N.Cl,"InChI=1S/C11H13I2NO3.ClH/c1-2-17-11(16)9(14)5-6-3-7(12)10(15)8(13)4-6;/h3-4,9,15H,2,5,14H2,1H3;1H/t9-;/m0./s1",ILBBOCVXEPIPBR-FVGYRXGTSA-N,C11H14ClI2NO3,497.49,496.87517,,72.6,253,0,3,4,5,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 2-isopropyl-6-propyl-",74663-48-2,3058154,2-propan-2-yl-6-propylphenol,CCCC1=C(C(=CC=C1)C(C)C)O,"InChI=1S/C12H18O/c1-4-6-10-7-5-8-11(9(2)3)12(10)13/h5,7-9,13H,4,6H2,1-3H3",JNTNBZKUWHRIGW-UHFFFAOYSA-N,C12H18O,178.27,178.1357652,4,20.2,142,0,1,1,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzaldehyde, 2-hydroxy-5-(hydroxymethyl)-",74901-08-9,53142,2-hydroxy-5-(hydroxymethyl)benzaldehyde,C1=CC(=C(C=C1CO)C=O)O,"InChI=1S/C8H8O3/c9-4-6-1-2-8(11)7(3-6)5-10/h1-3,5,9,11H,4H2",MFHBKQHAPQBJFO-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,0.7,57.5,135,0,2,3,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-Phenylalanine, 4-borono-",76410-58-7,150315,(2S)-2-amino-3-(4-boronophenyl)propanoic acid,B(C1=CC=C(C=C1)C[C@@H](C(=O)O)N)(O)O,"InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1",NFIVJOSXJDORSP-QMMMGPOBSA-N,C9H12BNO4,209.01,209.085938,,104,216,0,4,5,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenepropanoic acid, alpha,3,4-trihydroxy-, (alpha-R)-",76822-21-4,11600642,"(2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid",C1=CC(=C(C=C1C[C@H](C(=O)O)O)O)O,"InChI=1S/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14)/t8-/m1/s1",PAFLSMZLRSPALU-MRVPVSSYSA-N,C9H10O5,198.17,198.0528234,-0.2,98,205,0,4,5,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 1-chloro-2,3-difluoro-5-(trifluoromethyl)-",77227-99-7,2736496,"1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene",C1=C(C=C(C(=C1F)F)Cl)C(F)(F)F,"InChI=1S/C7H2ClF5/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H",RZMVFJHGONCXQR-UHFFFAOYSA-N,C7H2ClF5,216.53,215.9765186,3.6,0,180,0,0,5,0,13,,,1,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Benzenediazonium, 4-(hydroxymethyl)-, tetrafluoroborate(1-)",78246-54-5,21120209,4-(hydroxymethyl)benzenediazonium tetrafluoroborate,[B-](F)(F)(F)F.C1=CC(=CC=C1CO)[N+]#N,"InChI=1S/C7H7N2O.BF4/c8-9-7-3-1-6(5-10)2-4-7;2-1(3,4)5/h1-4,10H,5H2;/q+1;-1",NBHPHEKAJYHXLW-UHFFFAOYSA-N,C7H7BF4N2O,221.95,222.0587557,,48.4,160,0,1,7,1,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Glycine, N-(2-((3-bromo-2,4,6-trimethylphenyl)amino)-2-oxoethyl)-N-(carboxymethyl)-",78266-06-5,54158,"2-[[2-(3-bromo-2,4,6-trimethylanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid",CC1=CC(=C(C(=C1NC(=O)CN(CC(=O)O)CC(=O)O)C)Br)C,"InChI=1S/C15H19BrN2O5/c1-8-4-9(2)15(10(3)14(8)16)17-11(19)5-18(6-12(20)21)7-13(22)23/h4H,5-7H2,1-3H3,(H,17,19)(H,20,21)(H,22,23)",MHPZZZZLAQGTHT-UHFFFAOYSA-N,C15H19BrN2O5,387.23,386.04773,-0.1,107,443,0,3,6,7,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Valeric acid, 3-methyl-2-(o-methylphenyl)-, 3-(diethylamino)propyl ester, hydrochloride",78372-11-9,3060940,3-(diethylamino)propyl 3-methyl-2-(2-methylphenyl)pentanoate;hydrochloride,CCC(C)C(C1=CC=CC=C1C)C(=O)OCCCN(CC)CC.Cl,"InChI=1S/C20H33NO2.ClH/c1-6-16(4)19(18-13-10-9-12-17(18)5)20(22)23-15-11-14-21(7-2)8-3;/h9-10,12-13,16,19H,6-8,11,14-15H2,1-5H3;1H",HKOMFQGAKKJJLN-UHFFFAOYSA-N,C20H34ClNO2,355.9,355.227807,,29.5,328,0,1,3,11,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzyl alcohol, 2-amino-4-nitro-",78468-34-5,54198,(2-amino-4-nitrophenyl)methanol,C1=CC(=C(C=C1[N+](=O)[O-])N)CO,"InChI=1S/C7H8N2O3/c8-7-3-6(9(11)12)2-1-5(7)4-10/h1-3,10H,4,8H2",NFOINKSCQYECSI-UHFFFAOYSA-N,C7H8N2O3,168.15,168.0534921,1.2,92.1,169,0,2,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 2-((acetylmethyl)amino)-",78944-67-9,793024,2-[acetyl(methyl)amino]benzoic acid,CC(=O)N(C)C1=CC=CC=C1C(=O)O,"InChI=1S/C10H11NO3/c1-7(12)11(2)9-6-4-3-5-8(9)10(13)14/h3-6H,1-2H3,(H,13,14)",VCOQVAJFXPHUAM-UHFFFAOYSA-N,C10H11NO3,193.2,193.0738932,0.8,57.6,240,0,1,3,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-Propanediol, 3-(3-(methylamino)-4-nitrophenoxy)-",80062-31-3,15847293,"3-[3-(methylamino)-4-nitrophenoxy]propane-1,2-diol",CNC1=C(C=CC(=C1)OCC(CO)O)[N+](=O)[O-],"InChI=1S/C10H14N2O5/c1-11-9-4-8(17-6-7(14)5-13)2-3-10(9)12(15)16/h2-4,7,11,13-14H,5-6H2,1H3",CDRHDQOGKXFJSA-UHFFFAOYSA-N,C10H14N2O5,242.23,242.0902716,1,108,245,0,3,6,5,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-Benzenediol, 3-(1,1-dimethylethyl)-5-methoxy-",80284-15-7,133433,"3-tert-butyl-5-methoxybenzene-1,2-diol",CC(C)(C)C1=C(C(=CC(=C1)OC)O)O,"InChI=1S/C11H16O3/c1-11(2,3)8-5-7(14-4)6-9(12)10(8)13/h5-6,12-13H,1-4H3",CDUDTAOIPVCWDW-UHFFFAOYSA-N,C11H16O3,196.24,196.1099444,2.9,49.7,185,0,2,3,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenepropanoic acid, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, methyl ester,hydrochloride",81161-17-3,104769,methyl 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate;hydrochloride,CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O.Cl,"InChI=1S/C16H25NO4.ClH/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3;/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3;1H",GEKNCWBANDDJJL-UHFFFAOYSA-N,C16H26ClNO4,331.8,331.155036,,67.8,288,0,3,5,10,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, ((3,4-dichlorophenyl)methoxy)-",82513-28-8,84099,"2-[(3,4-dichlorophenyl)methoxy]acetic acid",C1=CC(=C(C=C1COCC(=O)O)Cl)Cl,"InChI=1S/C9H8Cl2O3/c10-7-2-1-6(3-8(7)11)4-14-5-9(12)13/h1-3H,4-5H2,(H,12,13)",MWZJIYRBTKZIPI-UHFFFAOYSA-N,C9H8Cl2O3,235.06,233.9850495,2.9,46.5,198,0,1,3,4,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2-((isocyanatosulfonyl)methyl)-, methyl ester",83056-32-0,158300,methyl 2-(isocyanatosulfonylmethyl)benzoate,COC(=O)C1=CC=CC=C1CS(=O)(=O)N=C=O,"InChI=1S/C10H9NO5S/c1-16-10(13)9-5-3-2-4-8(9)6-17(14,15)11-7-12/h2-5H,6H2,1H3",HPFGDWSUQHUCBU-UHFFFAOYSA-N,C10H9NO5S,255.25,255.0201436,2.1,98.3,418,0,0,6,5,17,,,0,0,1,0,0,0,0,1,1,0,1,0,0,0,1,0,0,0,1,0
"5-Oxa-2,8-dithia-4,7,9-triazadodec-3-en-12-oic acid, 3,7-dimethyl-6-oxo-9-(phenylmethyl)-,ethyl ester, (Z)-",83130-01-2,9576091,ethyl 3-[benzyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonylamino]sulfanylamino]propanoate,CCOC(=O)CCN(CC1=CC=CC=C1)SN(C)C(=O)O/N=C(/C)\SC,"InChI=1S/C17H25N3O4S2/c1-5-23-16(21)11-12-20(13-15-9-7-6-8-10-15)26-19(3)17(22)24-18-14(2)25-4/h6-10H,5,11-13H2,1-4H3/b18-14-",GMAUQNJOSOMMHI-JXAWBTAJSA-N,C17H25N3O4S2,399.5,399.1286486,3.4,122,471,0,0,8,12,26,,,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 3-(aminosulfonyl)-5-bromo-",83173-96-0,13145700,3-bromo-5-sulfamoylbenzoic acid,C1=C(C=C(C=C1S(=O)(=O)N)Br)C(=O)O,"InChI=1S/C7H6BrNO4S/c8-5-1-4(7(10)11)2-6(3-5)14(9,12)13/h1-3H,(H,10,11)(H2,9,12,13)",FAVKCYMTHGESLZ-UHFFFAOYSA-N,C7H6BrNO4S,280.1,278.92009,0.7,106,323,0,2,5,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanol, 2,2'-((2-nitro-1,4-phenylene)diimino)bis-",84041-77-0,5488740,2-[4-(2-hydroxyethylamino)-3-nitroanilino]ethanol,C1=CC(=C(C=C1NCCO)[N+](=O)[O-])NCCO,"InChI=1S/C10H15N3O4/c14-5-3-11-8-1-2-9(12-4-6-15)10(7-8)13(16)17/h1-2,7,11-12,14-15H,3-6H2",HWQZRURILVPDGN-UHFFFAOYSA-N,C10H15N3O4,241.24,241.106256,1,110,234,0,4,6,6,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzylamine, p-methoxy-N-methyl-N-nitroso-",84174-20-9,55202,N-[(4-methoxyphenyl)methyl]-N-methylnitrous amide,CN(CC1=CC=C(C=C1)OC)N=O,"InChI=1S/C9H12N2O2/c1-11(10-12)7-8-3-5-9(13-2)6-4-8/h3-6H,7H2,1-2H3",PBYJHBYYEJFZIL-UHFFFAOYSA-N,C9H12N2O2,180.2,180.0898776,1.6,41.9,156,0,0,4,3,13,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 3-amino-2-chloro-6-methyl-",84540-50-1,157641,3-amino-2-chloro-6-methylphenol,CC1=C(C(=C(C=C1)N)Cl)O,"InChI=1S/C7H8ClNO/c1-4-2-3-5(9)6(8)7(4)10/h2-3,10H,9H2,1H3",XYRDGCCCBJITBH-UHFFFAOYSA-N,C7H8ClNO,157.6,157.0294416,1.9,46.3,120,0,2,2,0,10,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propiophenone, 2-amino-4'-bromo-, hydrochloride",87124-01-4,3070916,2-amino-1-(4-bromophenyl)propan-1-one;hydrochloride,CC(C(=O)C1=CC=C(C=C1)Br)N.Cl,"InChI=1S/C9H10BrNO.ClH/c1-6(11)9(12)7-2-4-8(10)5-3-7;/h2-6H,11H2,1H3;1H",GTSDJPXZCAAERE-UHFFFAOYSA-N,C9H11BrClNO,264.54,262.97125,,43.1,164,0,2,2,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbamic acid, (3,4-diethoxyphenyl)-, 1-methylethyl ester",87130-20-9,91742,"propan-2-yl N-(3,4-diethoxyphenyl)carbamate",CCOC1=C(C=C(C=C1)NC(=O)OC(C)C)OCC,"InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)",LNJNFVJKDJYTEU-UHFFFAOYSA-N,C14H21NO4,267.32,267.1470582,2.8,56.8,270,0,1,4,7,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)-N-((1S)-2-methoxy-1-methylethyl)-",87392-12-9,11140605,2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]acetamide,CCC1=CC=CC(=C1N([C@@H](C)COC)C(=O)CCl)C,"InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3/t12-/m0/s1",WVQBLGZPHOPPFO-LBPRGKRZSA-N,C15H22ClNO2,283.79,283.1339066,3.1,29.5,285,0,0,2,6,19,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"D-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-",89595-92-6,7000171,(2R)-2-amino-3-phenylpropanamide,C1=CC=C(C=C1)C[C@H](C(=O)N)N,"InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m1/s1",OBSIQMZKFXFYLV-MRVPVSSYSA-N,C9H12N2O,164.2,164.094963,0.1,69.1,153,0,2,2,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1-(m-boronophenyl)-",90084-66-5,3021600,[3-(carbamoylamino)phenyl]boronic acid,B(C1=CC(=CC=C1)NC(=O)N)(O)O,"InChI=1S/C7H9BN2O3/c9-7(11)10-6-3-1-2-5(4-6)8(12)13/h1-4,12-13H,(H3,9,10,11)",FDZYBPMGFTXHMK-UHFFFAOYSA-N,C7H9BN2O3,179.97,180.0706223,,95.6,189,0,4,3,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Alanine, 3-(p-boronophenyl)-",90580-64-6,53503,2-amino-3-(4-boronophenyl)propanoic acid,B(C1=CC=C(C=C1)CC(C(=O)O)N)(O)O,"InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)",NFIVJOSXJDORSP-UHFFFAOYSA-N,C9H12BNO4,209.01,209.085938,,104,216,0,4,5,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Butenoic acid, 4-(p-chlorophenyl)-3-methyl-",91121-52-7,6007134,(E)-4-(4-chlorophenyl)-3-methylbut-3-enoic acid,C/C(=C\C1=CC=C(C=C1)Cl)/CC(=O)O,"InChI=1S/C11H11ClO2/c1-8(7-11(13)14)6-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3,(H,13,14)/b8-6+",OSMVNAOFLIHUOS-SOFGYWHQSA-N,C11H11ClO2,210.65,210.0447573,3.3,37.3,227,0,1,2,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzylamine, p-butoxy-alpha-methyl-",91553-11-6,56263,1-(4-butoxyphenyl)ethanamine,CCCCOC1=CC=C(C=C1)C(C)N,"InChI=1S/C12H19NO/c1-3-4-9-14-12-7-5-11(6-8-12)10(2)13/h5-8,10H,3-4,9,13H2,1-2H3",ANOJLHQGMTVKNE-UHFFFAOYSA-N,C12H19NO,193.28,193.1466642,2.4,35.3,141,0,1,2,5,14,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 4-((3-hydroxypropyl)amino)-3-nitro-",92952-81-3,5463795,4-(3-hydroxypropylamino)-3-nitrophenol,C1=CC(=C(C=C1O)[N+](=O)[O-])NCCCO,"InChI=1S/C9H12N2O4/c12-5-1-4-10-8-3-2-7(13)6-9(8)11(14)15/h2-3,6,10,12-13H,1,4-5H2",VTXBLQLZQLHDIL-UHFFFAOYSA-N,C9H12N2O4,212.2,212.0797069,1.7,98.3,207,0,3,5,4,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"Ethanol, 2,2'-((4-amino-3-nitrophenyl)imino)bis-, monohydrochloride",94158-13-1,21909552,2-[4-amino-N-(2-hydroxyethyl)-3-nitroanilino]ethanol;hydrochloride,C1=CC(=C(C=C1N(CCO)CCO)[N+](=O)[O-])N.Cl,"InChI=1S/C10H15N3O4.ClH/c11-9-2-1-8(7-10(9)13(16)17)12(3-5-14)4-6-15;/h1-2,7,14-15H,3-6,11H2;1H",ASAQRGCLIPUSEK-UHFFFAOYSA-N,C10H16ClN3O4,277.7,277.0829337,,116,240,0,4,6,5,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,1,1
"Ethanone, 1-(3-hydroxyphenyl)-2-(methylamino)-, hydrochloride",94240-17-2,3024110,1-(3-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride,CNCC(=O)C1=CC(=CC=C1)O.Cl,"InChI=1S/C9H11NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,10-11H,6H2,1H3;1H",DEOGEZWYKPQJLP-UHFFFAOYSA-N,C9H12ClNO2,201.65,201.0556563,,49.3,159,0,3,3,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, N-(2-aminoethyl)-4-chloro-, monohydrochloride",94319-79-6,5702251,N-(2-aminoethyl)-4-chlorobenzamide;hydrochloride,C1=CC(=CC=C1C(=O)NCCN)Cl.Cl,"InChI=1S/C9H11ClN2O.ClH/c10-8-3-1-7(2-4-8)9(13)12-6-5-11;/h1-4H,5-6,11H2,(H,12,13);1H",ARUMZUNJBHSOQQ-UHFFFAOYSA-N,C9H12Cl2N2O,235.11,234.0326684,,55.1,167,0,3,2,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, N-(4-bromo-2-methylphenyl)-2-chloro-",96686-51-0,2097895,N-(4-bromo-2-methylphenyl)-2-chloroacetamide,CC1=C(C=CC(=C1)Br)NC(=O)CCl,"InChI=1S/C9H9BrClNO/c1-6-4-7(10)2-3-8(6)12-9(13)5-11/h2-4H,5H2,1H3,(H,12,13)",AKNLFHJQVCPHHO-UHFFFAOYSA-N,C9H9BrClNO,262.53,260.9556,2.7,29.1,188,0,1,1,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 4-((5-hydroxypentyl)oxy)-",98092-80-9,3062442,4-(5-hydroxypentoxy)benzoic acid,C1=CC(=CC=C1C(=O)O)OCCCCCO,"InChI=1S/C12H16O4/c13-8-2-1-3-9-16-11-6-4-10(5-7-11)12(14)15/h4-7,13H,1-3,8-9H2,(H,14,15)",DSKAHWKQBWNZCK-UHFFFAOYSA-N,C12H16O4,224.25,224.104859,2.7,66.8,197,0,2,4,7,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzyl alcohol, 2-amino-6-nitro-",98451-51-5,124554,(2-amino-6-nitrophenyl)methanol,C1=CC(=C(C(=C1)[N+](=O)[O-])CO)N,"InChI=1S/C7H8N2O3/c8-6-2-1-3-7(9(11)12)5(6)4-10/h1-3,10H,4,8H2",BSQXKAWQRQDMAK-UHFFFAOYSA-N,C7H8N2O3,168.15,168.0534921,0.7,92.1,169,0,2,4,1,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzylamine, p-(methylsulfonyl)-, hydrochloride",98593-51-2,2729269,(4-methylsulfonylphenyl)methanamine;hydrochloride,CS(=O)(=O)C1=CC=C(C=C1)CN.Cl,"InChI=1S/C8H11NO2S.ClH/c1-12(10,11)8-4-2-7(6-9)3-5-8;/h2-5H,6,9H2,1H3;1H",NRXMOYDZMKXKMJ-UHFFFAOYSA-N,C8H12ClNO2S,221.71,221.0277275,,68.5,222,0,2,3,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butyric acid, 2-(p-bromophenyl)-",99070-18-5,57472,2-(4-bromophenyl)butanoic acid,CCC(C1=CC=C(C=C1)Br)C(=O)O,"InChI=1S/C10H11BrO2/c1-2-9(10(12)13)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3,(H,12,13)",XVEFRABIRRNWFO-UHFFFAOYSA-N,C10H11BrO2,243.1,241.99424,3,37.3,174,0,1,2,3,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 2-((2-hydroxyethyl)amino)-4,6-dinitro-",99610-72-7,5463814,"2-(2-hydroxyethylamino)-4,6-dinitrophenol",C1=C(C=C(C(=C1NCCO)O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C8H9N3O6/c12-2-1-9-6-3-5(10(14)15)4-7(8(6)13)11(16)17/h3-4,9,12-13H,1-2H2",OABRBVCUJIJMOB-UHFFFAOYSA-N,C8H9N3O6,243.17,243.049135,1.1,144,288,0,3,7,3,17,,,0,0,0,1,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0
"Benzoic acid, 2-(methylamino)-, 1-methylethyl ester",99985-64-5,570886,propan-2-yl 2-(methylamino)benzoate,CC(C)OC(=O)C1=CC=CC=C1NC,"InChI=1S/C11H15NO2/c1-8(2)14-11(13)9-6-4-5-7-10(9)12-3/h4-8,12H,1-3H3",OBKVPPPSOAFJDS-UHFFFAOYSA-N,C11H15NO2,193.24,193.1102787,3.1,38.3,192,0,1,3,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Nonanone, 1-(2,4,6-trihydroxyphenyl)-",100079-26-3,3063200,"1-(3,4,5-trihydroxyphenyl)nonan-1-one",CCCCCCCCC(=O)C1=CC(=C(C(=C1)O)O)O,"InChI=1S/C15H22O4/c1-2-3-4-5-6-7-8-12(16)11-9-13(17)15(19)14(18)10-11/h9-10,17-19H,2-8H2,1H3",NVFRHTFJDGAFQS-UHFFFAOYSA-N,C15H22O4,266.33,266.1518092,4.1,77.8,255,0,3,4,8,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hydrazinecarboximidamide, N,N-dimethyl-2-(2,6-dimethylphenyl)-, monohydrochloride",100751-82-4,6918035,"2-(2,6-dimethylanilino)-1,1-dimethylguanidine;hydrochloride",CC1=C(C(=CC=C1)C)N/N=C(/N)\N(C)C.Cl,"InChI=1S/C11H18N4.ClH/c1-8-6-5-7-9(2)10(8)13-14-11(12)15(3)4;/h5-7,13H,1-4H3,(H2,12,14);1H",LBTUHNNCEFYFFH-UHFFFAOYSA-N,C11H19ClN4,242.75,242.1298243,,53.7,215,0,3,2,3,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"m-Toluidine, N,N-dimethyl-alpha-hydrazino-, hydrochloride",102396-03-2,24847058,"3-(hydrazinylmethyl)-N,N-dimethylaniline;hydrochloride",CN(C)C1=CC=CC(=C1)CNN.Cl,"InChI=1S/C9H15N3.ClH/c1-12(2)9-5-3-4-8(6-9)7-11-10;/h3-6,11H,7,10H2,1-2H3;1H",HHZJHOCXTSTQSR-UHFFFAOYSA-N,C9H16ClN3,201.7,201.1032752,,41.3,125,0,3,3,3,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Benzenepropanol, beta,beta,3-trimethyl-",103694-68-4,175948,"2,2-dimethyl-3-(3-methylphenyl)propan-1-ol",CC1=CC(=CC=C1)CC(C)(C)CO,"InChI=1S/C12H18O/c1-10-5-4-6-11(7-10)8-12(2,3)9-13/h4-7,13H,8-9H2,1-3H3",FYMOBFDUZIDKMI-UHFFFAOYSA-N,C12H18O,178.27,178.1357652,3.1,20.2,151,0,1,1,3,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzylamine, p-isopropoxy-alpha-methyl-",103990-05-2,59803,1-(4-propan-2-yloxyphenyl)ethanamine,CC(C)OC1=CC=C(C=C1)C(C)N,"InChI=1S/C11H17NO/c1-8(2)13-11-6-4-10(5-7-11)9(3)12/h4-9H,12H2,1-3H3",QDLPHPPYMUBDRB-UHFFFAOYSA-N,C11H17NO,179.26,179.1310142,2,35.3,139,0,1,2,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"Carbonic acid, 2(or 4)-isooctyl-4,6(or 2,6)-dinitrophenyl methyl ester",104078-12-8,169442,"methyl [2-(6-methylheptyl)-4,6-dinitrophenyl] carbonate",CC(C)CCCCCC1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)OC,"InChI=1S/C16H22N2O7/c1-11(2)7-5-4-6-8-12-9-13(17(20)21)10-14(18(22)23)15(12)25-16(19)24-3/h9-11H,4-8H2,1-3H3",ODOSVAWLEGXOPB-UHFFFAOYSA-N,C16H22N2O7,354.35,354.1427011,5.5,127,458,0,0,7,9,25,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Propanol, 3-((4-(bis(2-hydroxyethyl)amino)-2-nitrophenyl)amino)-",104226-19-9,13907760,3-[4-[bis(2-hydroxyethyl)amino]-2-nitroanilino]propan-1-ol,C1=CC(=C(C=C1N(CCO)CCO)[N+](=O)[O-])NCCCO,"InChI=1S/C13H21N3O5/c17-7-1-4-14-12-3-2-11(10-13(12)16(20)21)15(5-8-18)6-9-19/h2-3,10,14,17-19H,1,4-9H2",YHSOWKGIYXECIF-UHFFFAOYSA-N,C13H21N3O5,299.32,299.1481208,0.7,122,294,0,4,7,9,21,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"m-Anisidine, 4-propoxy-",104338-87-6,59836,3-methoxy-4-propoxyaniline,CCCOC1=C(C=C(C=C1)N)OC,"InChI=1S/C10H15NO2/c1-3-6-13-9-5-4-8(11)7-10(9)12-2/h4-5,7H,3,6,11H2,1-2H3",PBSDUCLSAXJGLA-UHFFFAOYSA-N,C10H15NO2,181.23,181.1102787,2,44.5,141,0,1,3,4,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pentanoic acid, 4-((3,4-dichlorobenzoyl)amino)-5-((3-methoxypropyl)pentylamino)-5-oxo-, (+-)-",107097-80-3,60182,"4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(pentyl)amino]-5-oxopentanoic acid",CCCCCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)Cl,"InChI=1S/C21H30Cl2N2O5/c1-3-4-5-11-25(12-6-13-30-2)21(29)18(9-10-19(26)27)24-20(28)15-7-8-16(22)17(23)14-15/h7-8,14,18H,3-6,9-13H2,1-2H3,(H,24,28)(H,26,27)",QNQZBKQEIFTHFZ-UHFFFAOYSA-N,C21H30Cl2N2O5,461.4,460.1531774,3.9,95.9,549,0,2,5,14,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Butenamide, 2-cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)-",108605-62-5,54677977,2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide,CC(=C(C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F)O,"InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)",UTNUDOFZCWSZMS-UHFFFAOYSA-N,C12H9F3N2O2,270.21,270.061612,3.3,73.1,426,0,2,6,2,19,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Ethanol, 2,2'-((4-chloro-6-nitro-1,3-phenylene)diimino)bis-",109023-83-8,3621694,2-[4-chloro-5-(2-hydroxyethylamino)-2-nitroanilino]ethanol,C1=C(C(=CC(=C1NCCO)Cl)[N+](=O)[O-])NCCO,"InChI=1S/C10H14ClN3O4/c11-7-5-10(14(17)18)9(13-2-4-16)6-8(7)12-1-3-15/h5-6,12-13,15-16H,1-4H2",ZEARLPPIUCBHRP-UHFFFAOYSA-N,C10H14ClN3O4,275.69,275.0672836,1.5,110,264,0,4,6,6,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 2-(10Z)-10-heptadecenyl-6-hydroxy-",111047-30-4,5469634,2-[(Z)-heptadec-10-enyl]-6-hydroxybenzoic acid,CCCCCC/C=C\CCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O,"InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h7-8,17,19-20,25H,2-6,9-16,18H2,1H3,(H,26,27)/b8-7-",MBYNDKVOZOAOIS-FPLPWBNLSA-N,C24H38O3,374.6,374.2820951,9.6,57.5,391,0,2,3,16,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Dodecanamide, 2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)-",114289-47-3,122327,"2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide",CCCCCCCCCCC(C)(C)C(=O)NC1=C(C=C(C=C1OC)OC)OC,"InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)",WAFNZAURAWBNDZ-UHFFFAOYSA-N,C23H39NO4,393.6,393.2879087,7.1,56.8,413,0,1,4,14,28,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzonitrile, 3,4-dihydroxy-5-nitro-",116313-86-1,5748958,"3,4-dihydroxy-5-nitrobenzonitrile",C1=C(C=C(C(=C1[N+](=O)[O-])O)O)C#N,"InChI=1S/C7H4N2O4/c8-3-4-1-5(9(12)13)7(11)6(10)2-4/h1-2,10-11H",JRBDMOJXCREXNN-UHFFFAOYSA-N,C7H4N2O4,180.12,180.0171066,1.3,110,253,0,2,5,0,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-Pentanedione, 3-((3,4-dihydroxy-5-nitrophenyl)methylene)-",116313-94-1,5464105,"3-[(3,4-dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione",CC(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C(=O)C,"InChI=1S/C12H11NO6/c1-6(14)9(7(2)15)3-8-4-10(13(18)19)12(17)11(16)5-8/h3-5,16-17H,1-2H3",UPMRZALMHVUCIN-UHFFFAOYSA-N,C12H11NO6,265.22,265.0586371,1.2,120,408,0,2,6,3,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneethanesulfonic acid, beta-(aminomethyl)-4-chloro-beta-hydroxy-",117354-64-0,1564,3-amino-2-(4-chlorophenyl)-2-hydroxypropane-1-sulfonic acid,C1=CC(=CC=C1C(CN)(CS(=O)(=O)O)O)Cl,"InChI=1S/C9H12ClNO4S/c10-8-3-1-7(2-4-8)9(12,5-11)6-16(13,14)15/h1-4,12H,5-6,11H2,(H,13,14,15)",WBSMZVIMANOCNX-UHFFFAOYSA-N,C9H12ClNO4S,265.71,265.0175567,-2.8,109,321,0,3,5,4,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Propanedinitrile, 2-((3,4-dihydroxyphenyl)methylene)-",118409-57-7,2052,"2-[(3,4-dihydroxyphenyl)methylidene]propanedinitrile",C1=CC(=C(C=C1C=C(C#N)C#N)O)O,"InChI=1S/C10H6N2O2/c11-5-8(6-12)3-7-1-2-9(13)10(14)4-7/h1-4,13-14H",VTJXFTPMFYAJJU-UHFFFAOYSA-N,C10H6N2O2,186.17,186.0429274,1.3,88,313,0,2,4,1,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1
"Phenol, 2,4-dichloro-3-ethyl-",121518-45-4,188723,"2,4-dichloro-3-ethylphenol",CCC1=C(C=CC(=C1Cl)O)Cl,"InChI=1S/C8H8Cl2O/c1-2-5-6(9)3-4-7(11)8(5)10/h3-4,11H,2H2,1H3",DEHWRJWKQDWKDP-UHFFFAOYSA-N,C8H8Cl2O,191.05,189.9952203,3.6,20.2,129,0,1,1,1,11,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-Propenethioamide, 2-cyano-3-(3,4-dihydroxyphenyl)-, (2E)-",122520-86-9,667601,"(E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethioamide",C1=CC(=C(C=C1/C=C(\C#N)/C(=S)N)O)O,"InChI=1S/C10H8N2O2S/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+",ZGHQGWOETPXKLY-XVNBXDOJSA-N,C10H8N2O2S,220.25,220.0306487,1,122,332,0,3,4,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 3,5-dinitro-4-((1-ethylpropyl)amino)-2-methyl-",127971-53-3,3080365,"2-methyl-3,5-dinitro-4-(pentan-3-ylamino)benzoic acid",CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C(=O)O)[N+](=O)[O-],"InChI=1S/C13H17N3O6/c1-4-8(5-2)14-11-10(15(19)20)6-9(13(17)18)7(3)12(11)16(21)22/h6,8,14H,4-5H2,1-3H3,(H,17,18)",OYOCXOGNLMMZMC-UHFFFAOYSA-N,C13H17N3O6,311.29,311.1117353,3.9,141,428,0,2,7,5,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbamic acid, ethylmethyl-, 3-(1-(dimethylamino)ethyl)phenyl ester, (1S)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)",129101-54-8,6918078,"(2R,3R)-2,3-dihydroxybutanedioic acid;[3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate",CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C14H22N2O2.C4H6O6/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4;5-1(3(7)8)2(6)4(9)10/h7-11H,6H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-;1-,2-/m01/s1",GWHQHAUAXRMMOT-MBANBULQSA-N,C18H28N2O8,400.4,400.1845659,,148,402,0,4,9,8,28,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1
"2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-, (2E)-",130929-57-6,5281081,"(E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide",CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N,"InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+",JRURYQJSLYLRLN-BJMVGYQFSA-N,C14H15N3O5,305.29,305.1011706,2.1,130,500,0,2,6,4,22,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 2-chloro-6-(ethylamino)-4-nitro-",131657-78-8,9794399,2-chloro-6-(ethylamino)-4-nitrophenol,CCNC1=C(C(=CC(=C1)[N+](=O)[O-])Cl)O,"InChI=1S/C8H9ClN2O3/c1-2-10-7-4-5(11(13)14)3-6(9)8(7)12/h3-4,10,12H,2H2,1H3",CDFNUSAXZDSXKF-UHFFFAOYSA-N,C8H9ClN2O3,216.62,216.0301698,2.7,78.1,209,0,2,4,2,14,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Phenol, 2,4-dimethyl-6-(1-methylpentadecyl)-",134701-20-5,164362,"2-hexadecan-2-yl-4,6-dimethylphenol",CCCCCCCCCCCCCCC(C)C1=CC(=CC(=C1O)C)C,"InChI=1S/C24H42O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21(3)23-19-20(2)18-22(4)24(23)25/h18-19,21,25H,5-17H2,1-4H3",TVWGHFVGFWIHFN-UHFFFAOYSA-N,C24H42O,346.6,346.323566,10.5,20.2,300,0,1,1,14,25,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"2-Propanol, 1-(4-(2-methoxyethyl)phenoxy)-3-((1-methylethyl)nitrosoamino)-, (+-)-",134720-05-1,154449,N-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]-N-propan-2-ylnitrous amide,CC(C)N(CC(COC1=CC=C(C=C1)CCOC)O)N=O,"InChI=1S/C15H24N2O4/c1-12(2)17(16-19)10-14(18)11-21-15-6-4-13(5-7-15)8-9-20-3/h4-7,12,14,18H,8-11H2,1-3H3",CHTOBGHTYDROBB-UHFFFAOYSA-N,C15H24N2O4,296.36,296.1736073,2.2,71.4,281,0,1,6,9,21,,,0,0,0,1,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"Methanesulfonamide, N-(4-(1-hydroxy-2-((1-methylethyl)nitrosoamino)ethyl)phenyl)-",134720-07-3,154451,N-[4-[1-hydroxy-2-[nitroso(propan-2-yl)amino]ethyl]phenyl]methanesulfonamide,CC(C)N(CC(C1=CC=C(C=C1)NS(=O)(=O)C)O)N=O,"InChI=1S/C12H19N3O4S/c1-9(2)15(14-17)8-12(16)10-4-6-11(7-5-10)13-20(3,18)19/h4-7,9,12-13,16H,8H2,1-3H3",JRGLEYZCDAJXQF-UHFFFAOYSA-N,C12H19N3O4S,301.36,301.1096273,0.8,107,399,0,2,7,6,20,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Carbamic acid, ((1S)-2-methyl-1-(((1-(4-methylphenyl)ethyl)amino)carbonyl)propyl)-, 1-methylethyl ester",140923-17-7,10958189,propan-2-yl N-[(2S)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate,CC1=CC=C(C=C1)C(C)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,"InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m0/s1",NWUWYYSKZYIQAE-WMCAAGNKSA-N,C18H28N2O3,320.4,320.2099928,3.7,67.4,388,0,2,3,7,23,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propenethioamide, 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-2-cyano-, (2E)-",148741-30-4,135419190,"(E)-2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enethioamide",CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C(\C#N)/C(=S)N,"InChI=1S/C18H24N2OS/c1-17(2,3)13-8-11(7-12(10-19)16(20)22)9-14(15(13)21)18(4,5)6/h7-9,21H,1-6H3,(H2,20,22)/b12-7+",XRZYELWZLNAXGE-KPKJPENVSA-N,C18H24N2OS,316.5,316.1609346,4.7,102,477,0,2,3,4,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Ethanol, 2,2'-((2-methyl-1,3-phenylene)diimino)bis-",149330-25-6,10130524,2-[3-(2-hydroxyethylamino)-2-methylanilino]ethanol,CC1=C(C=CC=C1NCCO)NCCO,"InChI=1S/C11H18N2O2/c1-9-10(12-5-7-14)3-2-4-11(9)13-6-8-15/h2-4,12-15H,5-8H2,1H3",FGYCMSFOZIRDLN-UHFFFAOYSA-N,C11H18N2O2,210.27,210.1368278,0.9,64.5,151,0,4,4,6,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"Octanediamide, N-hydroxy-N'-phenyl-",149647-78-9,5311,N'-hydroxy-N-phenyloctanediamide,C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO,"InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)",WAEXFXRVDQXREF-UHFFFAOYSA-N,C14H20N2O3,264.32,264.1473925,1.9,78.4,276,0,3,3,8,19,,,1,0,0,1,0,0,1,0,0,0,1,0,0,1,0,0,0,0,1,0
"Benzamide, 3,5-dichloro-N-(3-chloro-1-ethyl-1-methyl-2-oxopropyl)-4-methyl-",156052-68-5,122087,"3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide",CCC(C)(C(=O)CCl)NC(=O)C1=CC(=C(C(=C1)Cl)C)Cl,"InChI=1S/C14H16Cl3NO2/c1-4-14(3,12(19)7-15)18-13(20)9-5-10(16)8(2)11(17)6-9/h5-6H,4,7H2,1-3H3,(H,18,20)",SOUGWDPPRBKJEX-UHFFFAOYSA-N,C14H16Cl3NO2,336.6,335.024662,4.3,46.2,365,0,1,2,5,20,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,3-Propanediol, 2-amino-2-(2-(4-octylphenyl)ethyl)-, hydrochloride",162359-56-0,107969,"2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol;hydrochloride",CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N.Cl,"InChI=1S/C19H33NO2.ClH/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22;/h9-12,21-22H,2-8,13-16,20H2,1H3;1H",SWZTYAVBMYWFGS-UHFFFAOYSA-N,C19H34ClNO2,343.9,343.227807,,66.5,258,0,4,3,12,23,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
"Benzoic acid, 2-(((2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl)thio)-",162520-00-5,5469318,"2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoic acid",CC(=CCC/C(=C/CC/C(=C/CSC1=CC=CC=C1C(=O)O)/C)/C)C,"InChI=1S/C22H30O2S/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-25-21-14-6-5-13-20(21)22(23)24/h5-6,9,11,13-15H,7-8,10,12,16H2,1-4H3,(H,23,24)/b18-11+,19-15+",WUILNKCFCLNXOK-CFBAGHHKSA-N,C22H30O2S,358.5,358.1966514,7.2,62.6,498,0,1,3,10,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzenamine, 2-iodo-4-(trifluoromethyl)-",163444-17-5,2783322,2-iodo-4-(trifluoromethyl)aniline,C1=CC(=C(C=C1C(F)(F)F)I)N,"InChI=1S/C7H5F3IN/c8-7(9,10)4-1-2-6(12)5(11)3-4/h1-3H,12H2",UKKWTZPXYIYONW-UHFFFAOYSA-N,C7H5F3IN,287.02,286.94188,2.8,26,159,0,1,4,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Butenamide, 2-cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)-, (2Z)-",163451-81-8,54684141,(Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide,C/C(=C(\C#N)/C(=O)NC1=CC=C(C=C1)C(F)(F)F)/O,"InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-",UTNUDOFZCWSZMS-YFHOEESVSA-N,C12H9F3N2O2,270.21,270.061612,3.3,73.1,426,0,2,6,2,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneoctanamide, delta-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-gamma-hydroxy-4-methoxy-3-(3-methoxypropoxy)-alpha,zeta-bis(1-methylethyl)-, (alpha-S,delta-S,gamma-S,zeta-S)-",173334-57-1,5493444,"(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide",CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N,"InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1",UXOWGYHJODZGMF-QORCZRPOSA-N,C30H53N3O6,551.8,551.3934364,3.5,146,717,0,4,7,19,39,,748.4±60.0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Carbamic acid, (chlorocarbonyl)(4-(trifluoromethoxy)phenyl)-, methyl ester",173903-15-6,164515,methyl N-carbonochloridoyl-N-[4-(trifluoromethoxy)phenyl]carbamate,COC(=O)N(C1=CC=C(C=C1)OC(F)(F)F)C(=O)Cl,"InChI=1S/C10H7ClF3NO4/c1-18-9(17)15(8(11)16)6-2-4-7(5-3-6)19-10(12,13)14/h2-5H,1H3",XMTCQQIMRUZNCL-UHFFFAOYSA-N,C10H7ClF3NO4,297.61,297.0015699,3.7,55.8,342,0,0,7,3,19,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"Phenol, 3-((1R,2R)-3-(dimethylamino)-1-ethyl-2-methylpropyl)-, hydrochloride",175591-09-0,9838021,"3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;hydrochloride",CC[C@@H](C1=CC(=CC=C1)O)[C@@H](C)CN(C)C.Cl,"InChI=1S/C14H23NO.ClH/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12;/h6-9,11,14,16H,5,10H2,1-4H3;1H/t11-,14+;/m0./s1",ZELFLGGRLLOERW-YECZQDJWSA-N,C14H24ClNO,257.8,257.1546421,,23.5,193,0,2,2,5,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2-Propenenitrile, 3-((4-(1,1-dimethylethyl)phenyl)sulfonyl)-, (2E)-",196309-76-9,5353432,(E)-3-(4-tert-butylphenyl)sulfonylprop-2-enenitrile,CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)/C=C/C#N,"InChI=1S/C13H15NO2S/c1-13(2,3)11-5-7-12(8-6-11)17(15,16)10-4-9-14/h4-8,10H,1-3H3/b10-4+",VHKZGNPOHPFPER-ONNFQVAWSA-N,C13H15NO2S,249.33,249.0823499,2.7,66.3,420,0,0,3,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzeneacetamide, alpha-(methoxyimino)-2-((3E,5E,6E)-5-(methoxyimino)-4,6-dimethyl-2,8-dioxa-3,7-diazanona-3,6-dien-1-yl)-N-methyl-, (alpha-E)-",248593-16-0,11486133,"(2E)-2-[2-[[(E)-[(3E,4E)-3,4-bis(methoxyimino)pentan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide",C/C(=N\OC)/C(=N\OC)/C(=N/OCC1=CC=CC=C1/C(=N\OC)/C(=O)NC)/C,"InChI=1S/C18H25N5O5/c1-12(20-25-4)16(22-26-5)13(2)21-28-11-14-9-7-8-10-15(14)17(23-27-6)18(24)19-3/h7-10H,11H2,1-6H3,(H,19,24)/b20-12+,21-13+,22-16+,23-17+",JHIPUJPTQJYEQK-ZLHHXESBSA-N,C18H25N5O5,391.4,391.1855689,2.5,115,630,0,1,9,10,28,,,1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Methanol, (2,6-bis(1-methylethyl)phenoxy)-, dihydrogen phosphate, disodium salt",258516-87-9,3038497,"disodium;[2,6-di(propan-2-yl)phenoxy]methyl phosphate",CC(C)C1=C(C(=CC=C1)C(C)C)OCOP(=O)([O-])[O-].[Na+].[Na+],"InChI=1S/C13H21O5P.2Na/c1-9(2)11-6-5-7-12(10(3)4)13(11)17-8-18-19(14,15)16;;/h5-7,9-10H,8H2,1-4H3,(H2,14,15,16);;/q;2*+1/p-2",LWYLQNWMSGFCOZ-UHFFFAOYSA-L,C13H19Na2O5P,332.24,332.0765493,,81.7,285,0,0,5,5,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5,8,11,14-Eicosatetraenamide, N-(4-hydroxy-2-methylphenyl)-, (5Z,8Z,11Z,14Z)-",313998-81-1,9887748,"(5Z,8Z,11Z,14Z)-N-(4-hydroxy-2-methylphenyl)icosa-5,8,11,14-tetraenamide",CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC1=C(C=C(C=C1)O)C,"InChI=1S/C27H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)28-26-22-21-25(29)23-24(26)2/h7-8,10-11,13-14,16-17,21-23,29H,3-6,9,12,15,18-20H2,1-2H3,(H,28,30)/b8-7-,11-10-,14-13-,17-16-",WUZWFRWVRHLXHZ-ZKWNWVNESA-N,C27H39NO2,409.6,409.2980795,6.7,49.3,547,0,2,2,15,30,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"Benzenesulfonic acid, 2,4-dinitro-, hydrate (1:1)",698999-22-3,16217154,"2,4-dinitrobenzenesulfonic acid;hydrate",C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O.O,"InChI=1S/C6H4N2O7S.H2O/c9-7(10)4-1-2-6(16(13,14)15)5(3-4)8(11)12;/h1-3H,(H,13,14,15);1H2",GWGBNENHEGYJSN-UHFFFAOYSA-N,C6H6N2O8S,266.19,265.9844863,,155,389,0,2,8,1,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1-Propanone, 1-(4-methoxyphenyl)-2-(methylamino)-, hydrochloride (1:1)",879665-92-6,52988262,1-(4-methoxyphenyl)-2-(methylamino)propan-1-one;hydrochloride,CC(C(=O)C1=CC=C(C=C1)OC)NC.Cl,"InChI=1S/C11H15NO2.ClH/c1-8(12-2)11(13)9-4-6-10(14-3)7-5-9;/h4-8,12H,1-3H3;1H",QIJFAKGYWIXUDG-UHFFFAOYSA-N,C11H16ClNO2,229.7,229.0869564,,38.3,186,0,2,3,4,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"1-Propanone, 2-(methylamino)-1-(4-methylphenyl)-, hydrochloride (1:1)",1189726-22-4,46782120,2-(methylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride,CC1=CC=C(C=C1)C(=O)C(C)NC.Cl,"InChI=1S/C11H15NO.ClH/c1-8-4-6-10(7-5-8)11(13)9(2)12-3;/h4-7,9,12H,1-3H3;1H",DLQZFTUKJGRPLZ-UHFFFAOYSA-N,C11H16ClNO,213.7,213.0920418,,29.1,171,0,2,2,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1-Propanone, 1-(4-chlorophenyl)-2-(methylamino)-",1225843-86-6,82100418,1-(4-chlorophenyl)-2-(methylamino)propan-1-one,CC(C(=O)C1=CC=C(C=C1)Cl)NC,"InChI=1S/C10H12ClNO/c1-7(12-2)10(13)8-3-5-9(11)6-4-8/h3-7,12H,1-2H3",UEJBEYOXRNGPEI-UHFFFAOYSA-N,C10H12ClNO,197.66,197.0607417,2.2,29.1,176,0,1,2,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"Acetamide, 2-(p-aminophenoxy)-",,3026006,2-(4-aminophenoxy)acetamide,C1=CC(=CC=C1N)OCC(=O)N,"InChI=1S/C8H10N2O2/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5,9H2,(H2,10,11)",COKCPIVADVZEGT-UHFFFAOYSA-N,C8H10N2O2,166.18,166.0742276,0.1,78.3,153,0,2,3,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, 2-cyano-N-(4-ethoxyphenyl)-",,359811,2-cyano-N-(4-ethoxyphenyl)acetamide,CCOC1=CC=C(C=C1)NC(=O)CC#N,"InChI=1S/C11H12N2O2/c1-2-15-10-5-3-9(4-6-10)13-11(14)7-8-12/h3-6H,2,7H2,1H3,(H,13,14)",OVLKYXWCLMCKIB-UHFFFAOYSA-N,C11H12N2O2,204.22,204.0898776,2,62.1,249,0,1,3,4,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, N-(2-methylphenyl)-2-(propylamino)-, hydrochloride",,3026133,N-(2-methylphenyl)-2-(propylamino)acetamide;hydrochloride,CCCNCC(=O)NC1=CC=CC=C1C.Cl,"InChI=1S/C12H18N2O.ClH/c1-3-8-13-9-12(15)14-11-7-5-4-6-10(11)2;/h4-7,13H,3,8-9H2,1-2H3,(H,14,15);1H",XMZJKWCSGORNCW-UHFFFAOYSA-N,C12H19ClN2O,242.74,242.1185909,,41.1,194,0,3,2,5,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamidine, 2-phenoxy-, hydrochloride",,2745912,2-phenoxyethanimidamide;hydrochloride,C1=CC=C(C=C1)OCC(=N)N.Cl,"InChI=1S/C8H10N2O.ClH/c9-8(10)6-11-7-4-2-1-3-5-7;/h1-5H,6H2,(H3,9,10);1H",ZLZLLGGMCNVVAS-UHFFFAOYSA-N,C8H11ClN2O,186.64,186.0559907,,59.1,130,0,3,2,3,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetophenone, 2-amino-3'-bromo-, hydrochloride",,3026270,2-amino-1-(3-bromophenyl)ethanone;hydrochloride,C1=CC(=CC(=C1)Br)C(=O)CN.Cl,"InChI=1S/C8H8BrNO.ClH/c9-7-3-1-2-6(4-7)8(11)5-10;/h1-4H,5,10H2;1H",UBJDGVBOZSLUCW-UHFFFAOYSA-N,C8H9BrClNO,250.52,248.9556,,43.1,149,0,2,2,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Anisamide, N,N-diethyl-",,231459,"N,N-diethyl-4-methoxybenzamide",CCN(CC)C(=O)C1=CC=C(C=C1)OC,"InChI=1S/C12H17NO2/c1-4-13(5-2)12(14)10-6-8-11(15-3)9-7-10/h6-9H,4-5H2,1-3H3",HCJXEOFLVIFFDG-UHFFFAOYSA-N,C12H17NO2,207.27,207.1259288,1.2,29.5,194,0,0,2,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzaldehyde, 3-bromo-4,5-dihydroxy-",,85405,"3-bromo-4,5-dihydroxybenzaldehyde",C1=C(C=C(C(=C1O)O)Br)C=O,"InChI=1S/C7H5BrO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-3,10-11H",GVSGSHGXUXLQNS-UHFFFAOYSA-N,C7H5BrO3,217.02,215.94221,1.4,57.5,151,0,2,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, 2,3-dichloro-",,2735956,"2,3-dichlorobenzamide",C1=CC(=C(C(=C1)Cl)Cl)C(=O)N,"InChI=1S/C7H5Cl2NO/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H2,10,11)",KZKYRHRAVGWEAV-UHFFFAOYSA-N,C7H5Cl2NO,190.02,188.9748192,1.3,43.1,163,0,1,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenamine, 2-fluoro-4-iodo-",,185694,2-fluoro-4-iodoaniline,C1=CC(=C(C=C1I)F)N,"InChI=1S/C6H5FIN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2",CUMTUBVTKOYYOU-UHFFFAOYSA-N,C6H5FIN,237.01,236.94507,2,26,99,0,1,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 1-(bromomethyl)-2-chloro-6-nitro-",,91858,2-(bromomethyl)-1-chloro-3-nitrobenzene,C1=CC(=C(C(=C1)Cl)CBr)[N+](=O)[O-],"InChI=1S/C7H5BrClNO2/c8-4-5-6(9)2-1-3-7(5)10(11)12/h1-3H,4H2",MAIVNONTLACJOK-UHFFFAOYSA-N,C7H5BrClNO2,250.48,248.91922,3.3,45.8,173,0,0,2,1,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenecarboximidamide, 4-((4-(((2S)-1-((2,4-dichloro-(((2,4-dimethyl-8-quinolinyl)oxy)methyl)phenyl)sulfonyl)-2-pyrrolidinyl)carbonyl)-1-piperazinyl)carbonyl)-",,2332,benzenecarboximidamide,C1=CC=C(C=C1)C(=N)N,"InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)",PXXJHWLDUBFPOL-UHFFFAOYSA-N,C7H8N2,120.15,120.0687483,0.7,49.9,103,0,2,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-",,92139,1-methyl-4-(6-methylhept-5-en-2-yl)benzene,CC1=CC=C(C=C1)C(C)CCC=C(C)C,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3",VMYXUZSZMNBRCN-UHFFFAOYSA-N,C15H22,202.33,202.1721507,5.4,0,190,0,0,0,4,15,,,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"Benzeneethanamine, N-ethyl-alpha-methyl-N-nitroso-3-(trifluoromethyl)-",,101196224,N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]nitrous amide,CCN(C(C)CC1=CC(=CC=C1)C(F)(F)F)N=O,"InChI=1S/C12H15F3N2O/c1-3-17(16-18)9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9H,3,7H2,1-2H3",JVGWNJLSTCQSCZ-UHFFFAOYSA-N,C12H15F3N2O,260.26,260.1136476,3.8,32.7,271,0,0,6,4,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Benzeneethanamine, N,N,alpha-trimethyl-, hydrochloride, (+)-",,17139087,"N,N-dimethyl-1-phenylpropan-2-amine;hydrochloride",CC(CC1=CC=CC=C1)N(C)C.Cl,"InChI=1S/C11H17N.ClH/c1-10(12(2)3)9-11-7-5-4-6-8-11;/h4-8,10H,9H2,1-3H3;1H",UTWYKDPIWNRKCN-UHFFFAOYSA-N,C11H18ClN,199.72,199.1127773,,3.2,114,0,1,1,3,13,,,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,1
"Benzenepropanesulfonic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, monosodium salt",,21752196,3-phenylpropane-1-sulfonic acid,C1=CC=C(C=C1)CCCS(=O)(=O)O,"InChI=1S/C9H12O3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,10,11,12)",FERGWWFGBNJVCP-UHFFFAOYSA-N,C9H12O3S,200.26,200.0507154,1.8,62.8,222,0,1,3,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzenesulfonic acid, 4-methyl-, 2-fluoroethyl ester",,256019,2-fluoroethyl 4-methylbenzenesulfonate,CC1=CC=C(C=C1)S(=O)(=O)OCCF,"InChI=1S/C9H11FO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,6-7H2,1H3",XNRDLSNSMTUXBV-UHFFFAOYSA-N,C9H11FO3S,218.25,218.0412935,1.8,51.8,250,0,0,4,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzenesulfonic acid, 4-methyl-, 3-fluoropropyl ester",,6366774,3-fluoropropyl 4-methylbenzenesulfonate,CC1=CC=C(C=C1)S(=O)(=O)OCCCF,"InChI=1S/C10H13FO3S/c1-9-3-5-10(6-4-9)15(12,13)14-8-2-7-11/h3-6H,2,7-8H2,1H3",PYCKJIAEKJWSKM-UHFFFAOYSA-N,C10H13FO3S,232.27,232.0569436,2.1,51.8,263,0,0,4,5,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 5-(chlorosulfonyl)-2,4-dichloro-",,77336,"2,4-dichloro-5-chlorosulfonylbenzoic acid",C1=C(C(=CC(=C1S(=O)(=O)Cl)Cl)Cl)C(=O)O,"InChI=1S/C7H3Cl3O4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)",MPUNAIYDVXJQBJ-UHFFFAOYSA-N,C7H3Cl3O4S,289.5,287.881763,2.7,79.8,350,0,1,4,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 2-hydroxy-6-methoxy-",,591524,2-hydroxy-6-methoxybenzoic acid,COC1=CC=CC(=C1C(=O)O)O,"InChI=1S/C8H8O4/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4,9H,1H3,(H,10,11)",AAUQLHHARJUJEH-UHFFFAOYSA-N,C8H8O4,168.15,168.0422587,0.9,66.8,168,0,2,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzonitrile, 3,5-di-tert-butyl-4-hydroxy-",,137274,"3,5-ditert-butyl-4-hydroxybenzonitrile",CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C#N,"InChI=1S/C15H21NO/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,17H,1-6H3",AKXIIOLURNATOC-UHFFFAOYSA-N,C15H21NO,231.33,231.1623143,4.6,44,288,0,1,2,2,17,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzyl alcohol, p-chloro-alpha-(methylaminomethyl)-",,3027635,1-(4-chlorophenyl)-2-(methylamino)ethanol,CNCC(C1=CC=C(C=C1)Cl)O,"InChI=1S/C9H12ClNO/c1-11-6-9(12)7-2-4-8(10)5-3-7/h2-5,9,11-12H,6H2,1H3",PRHFCODVVHEZRP-UHFFFAOYSA-N,C9H12ClNO,185.65,185.0607417,0.4,32.3,124,0,2,2,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Biguanide, 1-(2,5-dichlorophenyl)-, monohydrochloride",,2730237,"1-(diaminomethylidene)-2-(2,5-dichlorophenyl)guanidine;hydrochloride",C1=CC(=C(C=C1Cl)N=C(N)N=C(N)N)Cl.Cl,"InChI=1S/C8H9Cl2N5.ClH/c9-4-1-2-5(10)6(3-4)14-8(13)15-7(11)12;/h1-3H,(H6,11,12,13,14,15);1H",CKZRFWZMFVWDOW-UHFFFAOYSA-N,C8H10Cl3N5,282.6,281.000178,,103,274,0,4,1,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Butenamide, 2-cyano-N-(2,5-dibromophenyl)-3-hydroxy-",,54686938,"2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide",CC(=C(C#N)C(=O)NC1=C(C=CC(=C1)Br)Br)O,"InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,16H,1H3,(H,15,17)",UVSVTDVJQAJIFG-UHFFFAOYSA-N,C11H8Br2N2O2,360,359.8932,3.8,73.1,386,0,2,3,2,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Butyrophenone, 2,4,5-trimethoxy-",,11459046,"1-(2,4,5-trimethoxyphenyl)butan-1-one",CCCC(=O)C1=CC(=C(C=C1OC)OC)OC,"InChI=1S/C13H18O4/c1-5-6-10(14)9-7-12(16-3)13(17-4)8-11(9)15-2/h7-8H,5-6H2,1-4H3",CSBSTMGRAOUNFM-UHFFFAOYSA-N,C13H18O4,238.28,238.1205091,2.3,44.8,242,0,0,4,6,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Carbamic acid, dimethyl-, phenyl ester",,138885,"phenyl N,N-dimethylcarbamate",CN(C)C(=O)OC1=CC=CC=C1,"InChI=1S/C9H11NO2/c1-10(2)9(11)12-8-6-4-3-5-7-8/h3-7H,1-2H3",MYOHNZJKOAODMX-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,1.6,29.5,151,0,0,2,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Cinnamic acid, 3-bromo-6-methoxy-, (E)-",,676162,(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoic acid,COC1=C(C=C(C=C1)Br)/C=C/C(=O)O,"InChI=1S/C10H9BrO3/c1-14-9-4-3-8(11)6-7(9)2-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-2+",QABZTGNRWBRJBO-GORDUTHDSA-N,C10H9BrO3,257.08,255.97351,2.5,46.5,227,0,1,3,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Decanamide, N-(4-hydroxyphenyl)-",,4464247,N-(4-hydroxyphenyl)decanamide,CCCCCCCCCC(=O)NC1=CC=C(C=C1)O,"InChI=1S/C16H25NO2/c1-2-3-4-5-6-7-8-9-16(19)17-14-10-12-15(18)13-11-14/h10-13,18H,2-9H2,1H3,(H,17,19)",YAQXOSZNYGPGDI-UHFFFAOYSA-N,C16H25NO2,263.37,263.188529,5.1,49.3,235,0,2,2,9,19,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hydrazine, (p-chloro-alpha-methylbenzyl)-, hydrochloride",,3028727,1-(4-chlorophenyl)ethylhydrazine;hydrochloride,CC(C1=CC=C(C=C1)Cl)NN.Cl,"InChI=1S/C8H11ClN2.ClH/c1-6(11-10)7-2-4-8(9)5-3-7;/h2-6,11H,10H2,1H3;1H",RARKXZSJYVVKCY-UHFFFAOYSA-N,C8H12Cl2N2,207.1,206.0377538,,38.1,111,0,3,2,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, N-ethyl-, hydrochloride, (+-)-",,17157612,N-ethyl-2-phenylethanamine;hydrochloride,CCNCCC1=CC=CC=C1.Cl,"InChI=1S/C10H15N.ClH/c1-2-11-9-8-10-6-4-3-5-7-10;/h3-7,11H,2,8-9H2,1H3;1H",KEVLAWGGXZKVMF-UHFFFAOYSA-N,C10H16ClN,185.69,185.0971272,,12,84,0,2,1,4,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 2,6-dichloro-4-(1,1-dimethylpropyl)-",,345201,"2,6-dichloro-4-(2-methylbutan-2-yl)phenol",CCC(C)(C)C1=CC(=C(C(=C1)Cl)O)Cl,"InChI=1S/C11H14Cl2O/c1-4-11(2,3)7-5-8(12)10(14)9(13)6-7/h5-6,14H,4H2,1-3H3",PNVAMJAIDPAKST-UHFFFAOYSA-N,C11H14Cl2O,233.13,232.0421705,5,20.2,182,0,1,1,2,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, 2-ethylhexyl ester, (2R)-",,24843401,2-ethylhexyl (2R)-2-(4-chloro-2-methylphenoxy)propanoate,CCCCC(CC)COC(=O)[C@@H](C)OC1=C(C=C(C=C1)Cl)C,"InChI=1S/C18H27ClO3/c1-5-7-8-15(6-2)12-21-18(20)14(4)22-17-10-9-16(19)11-13(17)3/h9-11,14-15H,5-8,12H2,1-4H3/t14-,15?/m1/s1",NWTKQOOQEPXMMW-GICMACPYSA-N,C18H27ClO3,326.9,326.1648724,6.6,35.5,321,0,0,3,10,22,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1-Propanone, 2-((1,1-dimethylethyl)amino)-1-(3-bromophenyl)-, hydrochloride",,3031061,1-(3-bromophenyl)-2-(tert-butylamino)propan-1-one;hydrochloride,CC(C(=O)C1=CC(=CC=C1)Br)NC(C)(C)C.Cl,"InChI=1S/C13H18BrNO.ClH/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10;/h5-9,15H,1-4H3;1H",HMVQYWGSISNYSZ-UHFFFAOYSA-N,C13H19BrClNO,320.65,319.03385,,29.1,247,0,2,2,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propionamide, 2-(p-isobutylphenyl)-",,101072,2-[4-(2-methylpropyl)phenyl]propanamide,CC(C)CC1=CC=C(C=C1)C(C)C(=O)N,"InChI=1S/C13H19NO/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H2,14,15)",REUQKCDCQVNKLW-UHFFFAOYSA-N,C13H19NO,205.3,205.1466642,2.8,43.1,205,0,1,1,4,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"m-Toluidine, 2,6-diiodo-4-nitro-",,223133,"2,6-diiodo-3-methyl-4-nitroaniline",CC1=C(C(=C(C=C1[N+](=O)[O-])I)N)I,"InChI=1S/C7H6I2N2O2/c1-3-5(11(12)13)2-4(8)7(10)6(3)9/h2H,10H2,1H3",PVERXMYYYHZCHE-UHFFFAOYSA-N,C7H6I2N2O2,403.94,403.85187,2.7,71.8,209,0,1,3,0,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,5-TRINITROBENZENE (WETTED WITH >/=30% WATER)",000099-35-4,7434,"1,3,5-trinitrobenzene",C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C6H3N3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,UATJOMSPNYCXIX-UHFFFAOYSA-N,C6H3N3O6,213.1,213.0021848,1.2,137,229,0,0,6,0,15,,315 °C,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"1,2-DIFLUOROBENZENE",000367-11-3,9706,"1,2-difluorobenzene",C1=CC=C(C(=C1)F)F,InChI=1S/C6H4F2/c7-5-3-1-2-4-6(5)8/h1-4H,GOYDNIKZWGIXJT-UHFFFAOYSA-N,C6H4F2,114.09,114.0281065,2.4,0,62,0,0,2,0,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
PENTAFLUOROBENZENE,000363-72-4,9696,"1,2,3,4,5-pentafluorobenzene",C1=C(C(=C(C(=C1F)F)F)F)F,InChI=1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,WACNXHCZHTVBJM-UHFFFAOYSA-N,C6HF5,168.06,167.9998408,2.5,0,125,0,0,5,0,11,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
3-FLUOROTOLUENE,000352-70-5,9606,1-fluoro-3-methylbenzene,CC1=CC(=CC=C1)F,"InChI=1S/C7H7F/c1-6-3-2-4-7(8)5-6/h2-5H,1H3",BTQZKHUEUDPRST-UHFFFAOYSA-N,C7H7F,110.13,110.0531784,2.7,0,70,0,0,1,0,8,"49 °F (USCG, 1999)","240.8 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"(T-4)-(N,N-DIETHYLBENZENAMINE)TRIHYDROBORON",013289-97-9,6335292,,[B].CCN(CC)C1=CC=CC=C1,"InChI=1S/C10H15N.B/c1-3-11(4-2)10-8-6-5-7-9-10;/h5-9H,3-4H2,1-2H3;",KHYAFFAGZNCWPT-UHFFFAOYSA-N,C10H15BN,160.05,160.1297546,,3.2,91,0,0,1,3,12,,,0,1,1,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,1,0
Methylbenzene-d5,001603-99-2,11815823,"1,2,3,4,5-pentadeuterio-6-methylbenzene",[2H]C1=C(C(=C(C(=C1[2H])[2H])C)[2H])[2H],"InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,3D,4D,5D,6D",YXFVVABEGXRONW-VIQYUKPQSA-N,C7H8,97.17,97.09398398,2.7,0,42,0,0,0,0,7,,,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1,0,1,1
(4-BROMOPHENOXY)-TERT-BUTYLDIMETHYLSILANE,067963-68-2,4227167,(4-bromophenoxy)-tert-butyl-dimethylsilane,CC(C)(C)[Si](C)(C)OC1=CC=C(C=C1)Br,"InChI=1S/C12H19BrOSi/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h6-9H,1-5H3",DLGZGLKSNRKLSM-UHFFFAOYSA-N,C12H19BrOSi,287.27,286.03885,,9.2,202,0,0,1,3,15,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
BENZOTRIFLUORIDE,000098-08-8,7368,trifluoromethylbenzene,C1=CC=C(C=C1)C(F)(F)F,"InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H",GETTZEONDQJALK-UHFFFAOYSA-N,C7H5F3,146.11,146.0343347,3,0,99,0,0,3,0,10,"54 °F (NTP, 1992)","208 to 210 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
TERT-BUTYLBENZENE,000098-06-6,7366,tert-butylbenzene,CC(C)(C)C1=CC=CC=C1,"InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3",YTZKOQUCBOVLHL-UHFFFAOYSA-N,C10H14,134.22,134.1095504,4.1,0,91,0,0,0,1,10,140 °F (60 °C) OPEN CUP,169.1 °C,0,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
DIMETHYLBENZYLAMINE,000103-83-3,7681,"N,N-dimethyl-1-phenylmethanamine",CN(C)CC1=CC=CC=C1,"InChI=1S/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3",XXBDWLFCJWSEKW-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,2,3.2,82,0,0,1,2,10,140 °F,"357.8 °F at 760 mmHg (USCG, 1999)",0,1,1,1,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
"1,3-DIETHYLBENZENE",000141-93-5,8864,"1,3-diethylbenzene",CCC1=CC(=CC=C1)CC,"InChI=1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3",AFZZYIJIWUTJFO-UHFFFAOYSA-N,C10H14,134.22,134.1095504,3.9,0,76,0,0,0,2,10,56 °C,181.1 °C,0,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
1-CHLORO-1-PHENYLETHANE,000672-65-1,12648,1-chloroethylbenzene,CC(C1=CC=CC=C1)Cl,"InChI=1S/C8H9Cl/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3",GTLWADFFABIGAE-UHFFFAOYSA-N,C8H9Cl,140.61,140.039278,2.7,0,74,0,0,0,1,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,1,0,0,1
CUMENE-D12,097732-82-6,2733138,"1,2,3,4,5-pentadeuterio-6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzene",[2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[2H])[2H],"InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3/i1D3,2D3,3D,4D,5D,6D,7D,8D",RWGFKTVRMDUZSP-CLWNCLMISA-N,C9H12,132.26,132.1692213,3.7,0,68,0,0,0,1,9,,,0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,1
4-FLUOROPHENYL ISOCYANATE,001195-45-5,70955,1-fluoro-4-isocyanatobenzene,C1=CC(=CC=C1N=C=O)F,InChI=1S/C7H4FNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H,DSVGFKBFFICWLZ-UHFFFAOYSA-N,C7H4FNO,137.11,137.0276919,2.8,29.4,146,0,0,3,1,10,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,1,0,1,1,0,1
"2,2,2-TRIFLUORO-N-PHENYLACETIMIDOYL CHLORIDE",061881-19-4,10058869,"2,2,2-trifluoro-N-phenylethanimidoyl chloride",C1=CC=C(C=C1)N=C(C(F)(F)F)Cl,"InChI=1S/C8H5ClF3N/c9-7(8(10,11)12)13-6-4-2-1-3-5-6/h1-5H",UKKALSJSKAHGTL-UHFFFAOYSA-N,C8H5ClF3N,207.58,207.0062613,3.7,12.4,194,0,0,4,1,13,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONYL CHLORIDE, 3,4-DICHLORO-",000098-31-7,7383,"3,4-dichlorobenzenesulfonyl chloride",C1=CC(=C(C=C1S(=O)(=O)Cl)Cl)Cl,"InChI=1S/C6H3Cl3O2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H",NYIBPWGZGSXURD-UHFFFAOYSA-N,C6H3Cl3O2S,245.5,243.891934,3.4,42.5,246,0,0,2,1,12,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1-(CHLOROMETHYL)-3-(TRIFLUOROMETHYL)-",000705-29-3,69716,1-(chloromethyl)-3-(trifluoromethyl)benzene,C1=CC(=CC(=C1)C(F)(F)F)CCl,"InChI=1S/C8H6ClF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2",XGASTRVQNVVYIZ-UHFFFAOYSA-N,C8H6ClF3,194.58,194.0110124,3.5,0,144,0,0,3,1,12,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1-(CHLOROMETHYL)-2,4-DIMETHYL-",000824-55-5,69989,"1-(chloromethyl)-2,4-dimethylbenzene",CC1=CC(=C(C=C1)CCl)C,"InChI=1S/C9H11Cl/c1-7-3-4-9(6-10)8(2)5-7/h3-5H,6H2,1-2H3",BETNPSBTDMBHCZ-UHFFFAOYSA-N,C9H11Cl,154.63,154.054928,3,0,101,0,0,0,1,10,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"4-ETHYL-1,2-DIMETHYLBENZENE",000934-80-5,13629,"4-ethyl-1,2-dimethylbenzene",CCC1=CC(=C(C=C1)C)C,"InChI=1S/C10H14/c1-4-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3",SBUYFICWQNHBCM-UHFFFAOYSA-N,C10H14,134.22,134.1095504,3.4,0,96,0,0,0,1,10,,,0,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,1,0,1,1
"SILANE, CHLOROPHENYL-",004206-75-1,6327539,,C1=CC=C(C=C1)[Si]Cl,InChI=1S/C6H5ClSi/c7-8-6-4-2-1-3-5-6/h1-5H,GTPDFCLBTFKHNH-UHFFFAOYSA-N,C6H5ClSi,140.64,139.9849044,,0,59,0,0,0,0,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
P-XYLENE-D6,025493-13-4,2723992,"1,4-bis(trideuteriomethyl)benzene",[2H]C([2H])([2H])C1=CC=C(C=C1)C([2H])([2H])[2H],"InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3/i1D3,2D3",URLKBWYHVLBVBO-WFGJKAKNSA-N,C8H10,112.2,112.1159108,3.2,0,48,0,0,0,0,8,,,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
1-BROMO-3-FLUOROBENZENE,001073-06-9,14082,1-bromo-3-fluorobenzene,C1=CC(=CC(=C1)Br)F,InChI=1S/C6H4BrF/c7-5-2-1-3-6(8)4-5/h1-4H,QDFKKJYEIFBEFC-UHFFFAOYSA-N,C6H4BrF,175,173.94804,3.2,0,74,0,0,1,0,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
2-FLUOROBENZALDEHYDE,000446-52-6,67970,2-fluorobenzaldehyde,C1=CC=C(C(=C1)C=O)F,InChI=1S/C7H5FO/c8-7-4-2-1-3-6(7)5-9/h1-5H,ZWDVQMVZZYIAHO-UHFFFAOYSA-N,C7H5FO,124.11,124.0324429,1.8,17.1,103,0,0,2,1,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
4-CHLOROSTYRENE,001073-67-2,14085,1-chloro-4-ethenylbenzene,C=CC1=CC=C(C=C1)Cl,"InChI=1S/C8H7Cl/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2",KTZVZZJJVJQZHV-UHFFFAOYSA-N,C8H7Cl,138.59,138.0236279,3.7,0,90,0,0,0,1,9,,192 °C,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
4-FLUOROBENZALDEHYDE,000459-57-4,68023,4-fluorobenzaldehyde,C1=CC(=CC=C1C=O)F,InChI=1S/C7H5FO/c8-7-3-1-6(5-9)2-4-7/h1-5H,UOQXIWFBQSVDPP-UHFFFAOYSA-N,C7H5FO,124.11,124.0324429,1.6,17.1,95,0,0,2,1,9,,,0,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
1-BROMO-4-(TRIFLUOROMETHYL)BENZENE,000402-43-7,67872,1-bromo-4-(trifluoromethyl)benzene,C1=CC(=CC=C1C(F)(F)F)Br,"InChI=1S/C7H4BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H",XLQSXGGDTHANLN-UHFFFAOYSA-N,C7H4BrF3,225.01,223.94485,3.9,0,124,0,0,3,0,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
1-METHYL-2-(1-METHYLETHYL)BENZENE,000527-84-4,10703,1-methyl-2-propan-2-ylbenzene,CC1=CC=CC=C1C(C)C,"InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3",WWRCMNKATXZARA-UHFFFAOYSA-N,C10H14,134.22,134.1095504,3.4,0,94,0,0,0,1,10,,178 °C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
1-METHYL-3-(1-METHYLETHYL)BENZENE,000535-77-3,10812,1-methyl-3-propan-2-ylbenzene,CC1=CC(=CC=C1)C(C)C,"InChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3",XCYJPXQACVEIOS-UHFFFAOYSA-N,C10H14,134.22,134.1095504,4,0,94,0,0,0,1,10,,175 °C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
2-CHLORO-4-FLUOROTOLUENE,000452-73-3,96747,2-chloro-4-fluoro-1-methylbenzene,CC1=C(C=C(C=C1)F)Cl,"InChI=1S/C7H6ClF/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3",CSARJIQZOSVYHA-UHFFFAOYSA-N,C7H6ClF,144.57,144.014206,3.7,0,94,0,0,1,0,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
O-XYLENE-D10,056004-61-6,91976,"1,2,3,4-tetradeuterio-5,6-bis(trideuteriomethyl)benzene",[2H]C1=C(C(=C(C(=C1[2H])C([2H])([2H])[2H])C([2H])([2H])[2H])[2H])[2H],"InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3/i1D3,2D3,3D,4D,5D,6D",CTQNGGLPUBDAKN-ZGYYUIRESA-N,C8H10,116.23,116.1410178,3.1,0,56,0,0,0,0,8,,,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1-CHLORO-4-FLUORO-",000352-33-0,9604,1-chloro-4-fluorobenzene,C1=CC(=CC=C1F)Cl,InChI=1S/C6H4ClF/c7-5-1-3-6(8)4-2-5/h1-4H,RJCGZNCCVKIBHO-UHFFFAOYSA-N,C6H4ClF,130.55,129.998556,2.9,0,66,0,0,1,0,8,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, PENTAFLUOROMETHYL-",000771-56-2,69869,"1,2,3,4,5-pentafluoro-6-methylbenzene",CC1=C(C(=C(C(=C1F)F)F)F)F,InChI=1S/C7H3F5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3,SXPRVMIZFRCAGC-UHFFFAOYSA-N,C7H3F5,182.09,182.0154909,2.8,0,146,0,0,5,0,12,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"SILANE, TRIMETHYLPHENOXY-",001529-17-5,73720,trimethyl(phenoxy)silane,C[Si](C)(C)OC1=CC=CC=C1,"InChI=1S/C9H14OSi/c1-11(2,3)10-9-7-5-4-6-8-9/h4-8H,1-3H3",OJAJJFGMKAZGRZ-UHFFFAOYSA-N,C9H14OSi,166.29,166.0813916,,9.2,111,0,0,1,2,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"SILANE, (4-CHLOROPHENYL)TRIMETHYL-",010557-71-8,66351,(4-chlorophenyl)-trimethylsilane,C[Si](C)(C)C1=CC=C(C=C1)Cl,"InChI=1S/C9H13ClSi/c1-11(2,3)9-6-4-8(10)5-7-9/h4-7H,1-3H3",LCQUSGXMZKOTPG-UHFFFAOYSA-N,C9H13ClSi,184.74,184.0475046,,0,120,0,0,0,1,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"DISULFIDE, METHYL PHENYL",014173-25-2,84234,(methyldisulfanyl)benzene,CSSC1=CC=CC=C1,"InChI=1S/C7H8S2/c1-8-9-7-5-3-2-4-6-7/h2-6H,1H3",LMSQHVXHZCNJEP-UHFFFAOYSA-N,C7H8S2,156.3,156.0067426,2.5,50.6,67,0,0,2,2,9,,62.00 to 65.00 °C. @ 2.00 mm Hg,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
METHYL PARATHION,000298-00-0,4130,dimethoxy-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane,COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3",RLBIQVVOMOPOHC-UHFFFAOYSA-N,C8H10NO5PS,263.21,263.0017306,2.9,106,279,0,0,6,4,16,"commercial product, containing xylene, has flashpoint of 115F (EPA, 1998)","246 °F at 0.13 mmHg (NTP, 1992)",1,1,1,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,1,0
PHENYL MERCAPTAN,000108-98-5,7969,benzenethiol,C1=CC=C(C=C1)S,"InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H",RMVRSNDYEFQCLF-UHFFFAOYSA-N,C6H6S,110.18,110.0190214,2.5,1,46,0,1,1,0,7,"127 °F (USCG, 1999)","334.9 °F at 760 mmHg (EPA, 1998)",1,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
P-CHLOROPHENETOLE,000622-61-7,69326,1-chloro-4-ethoxybenzene,CCOC1=CC=C(C=C1)Cl,"InChI=1S/C8H9ClO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3",IXLSVQMYQRAMEW-UHFFFAOYSA-N,C8H9ClO,156.61,156.0341926,2.8,9.2,87,0,0,1,2,10,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
4-FLUOROBENZONITRILE,001194-02-1,14517,4-fluorobenzonitrile,C1=CC(=CC=C1C#N)F,InChI=1S/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,AEKVBBNGWBBYLL-UHFFFAOYSA-N,C7H4FN,121.11,121.0327773,2.1,23.8,127,0,0,2,0,9,,,0,1,1,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)-",000655-32-3,69564,"2,2,2-trifluoro-1-(4-fluorophenyl)ethanone",C1=CC(=CC=C1C(=O)C(F)(F)F)F,"InChI=1S/C8H4F4O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H",LUKLMXJAEKXROG-UHFFFAOYSA-N,C8H4F4O,192.11,192.0198274,2.3,17.1,191,0,0,5,1,13,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 3-NITRO-, SODIUM SALT",000827-95-2,70014,sodium 3-nitrobenzoate,C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)[O-].[Na+],"InChI=1S/C7H5NO4.Na/c9-7(10)5-2-1-3-6(4-5)8(11)12;/h1-4H,(H,9,10);/q;+1/p-1",MUADFEZFSKAZLT-UHFFFAOYSA-M,C7H4NNaO4,189.1,189.0038019,,86,193,0,0,4,0,13,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
N-BUTYRALDEHYDE-DNPH,001527-98-6,346089,"N-(butylideneamino)-2,4-dinitroaniline",CCCC=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C10H12N4O4/c1-2-3-6-11-12-9-5-4-8(13(15)16)7-10(9)14(17)18/h4-7,12H,2-3H2,1H3",IKGRHEWIFBFXPP-UHFFFAOYSA-N,C10H12N4O4,252.23,252.0858549,1.6,116,323,0,1,6,4,18,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"ISOBUTYRALDEHYDE-2,4-DINITROPHENYL-HYDRAZONE",002057-82-1,9568083,"N-[(E)-2-methylpropylideneamino]-2,4-dinitroaniline",CC(C)/C=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C10H12N4O4/c1-7(2)6-11-12-9-4-3-8(13(15)16)5-10(9)14(17)18/h3-7,12H,1-2H3/b11-6+",WYSDOKPZMGYVGI-IZZDOVSWSA-N,C10H12N4O4,252.23,252.0858549,1.9,116,334,0,1,6,3,18,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"PEROXIDE, 1,1-DIMETHYLETHYL 1-METHYL-1-PHENYLETHYL",003457-61-2,76997,2-tert-butylperoxypropan-2-ylbenzene,CC(C)(C)OOC(C)(C)C1=CC=CC=C1,"InChI=1S/C13H20O2/c1-12(2,3)14-15-13(4,5)11-9-7-6-8-10-11/h6-10H,1-5H3",BIISIZOQPWZPPS-UHFFFAOYSA-N,C13H20O2,208.3,208.1463299,3.2,18.5,185,0,0,2,4,15,,,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,1,0,0,0
DIMETHYL PHTHALATE,000131-11-3,8554,"dimethyl benzene-1,2-dicarboxylate",COC(=O)C1=CC=CC=C1C(=O)OC,"InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3",NIQCNGHVCWTJSM-UHFFFAOYSA-N,C10H10O4,194.18,194.0579088,1.6,52.6,200,0,0,4,4,14,"295 °F (NTP, 1992)","542.7 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1,1,1,0,0
P-NITROSODIMETHYLANILINE,000138-89-6,8749,"N,N-dimethyl-4-nitrosoaniline",CN(C)C1=CC=C(C=C1)N=O,"InChI=1S/C8H10N2O/c1-10(2)8-5-3-7(9-11)4-6-8/h3-6H,1-2H3",CMEWLCATCRTSGF-UHFFFAOYSA-N,C8H10N2O,150.18,150.0793129,1.8,32.7,128,0,0,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"BENZENESULFONAMIDE, N,N-DICHLORO-4-METHYL-",000473-34-7,68056,"N,N-dichloro-4-methylbenzenesulfonamide",CC1=CC=C(C=C1)S(=O)(=O)N(Cl)Cl,"InChI=1S/C7H7Cl2NO2S/c1-6-2-4-7(5-3-6)13(11,12)10(8)9/h2-5H,1H3",ARGDYOIRHYLIMT-UHFFFAOYSA-N,C7H7Cl2NO2S,240.11,238.957455,2.5,45.8,252,0,0,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-AMINO-2-NITROBENZOIC ACID,013280-60-9,83298,5-amino-2-nitrobenzoic acid,C1=CC(=C(C=C1N)C(=O)O)[N+](=O)[O-],"InChI=1S/C7H6N2O4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,8H2,(H,10,11)",KZZWQCKYLNIOBT-UHFFFAOYSA-N,C7H6N2O4,182.13,182.0327567,0.8,109,225,0,2,5,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-TOLUENESULFONYL CHLORIDE,000098-59-9,7397,4-methylbenzenesulfonyl chloride,CC1=CC=C(C=C1)S(=O)(=O)Cl,"InChI=1S/C7H7ClO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3",YYROPELSRYBVMQ-UHFFFAOYSA-N,C7H7ClO2S,190.65,189.9855283,3,42.5,209,0,0,2,1,11,128 °C c.c.,146 °C @ 15 MM HG,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,1,0,1
PHTHALOYL DICHLORIDE,000088-95-9,6955,"benzene-1,2-dicarbonyl chloride",C1=CC=C(C(=C1)C(=O)Cl)C(=O)Cl,InChI=1S/C8H4Cl2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,FYXKZNLBZKRYSS-UHFFFAOYSA-N,C8H4Cl2O2,203.02,201.9588348,2.7,34.1,181,0,0,2,2,12,,,0,1,0,0,0,0,0,1,0,0,0,1,0,0,1,0,1,1,0,1
"BENZENE, 1-CHLORO-2-(TRICHLOROMETHYL)-",002136-89-2,16494,1-chloro-2-(trichloromethyl)benzene,C1=CC=C(C(=C1)C(Cl)(Cl)Cl)Cl,"InChI=1S/C7H4Cl4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H",MFHPYLFZSCSNST-UHFFFAOYSA-N,C7H4Cl4,229.9,229.903761,4.3,0,129,0,0,0,0,11,,,0,0,0,1,0,1,1,1,0,0,1,1,0,0,0,0,1,0,0,1
PARAOXON,000311-45-5,9395,diethyl (4-nitrophenyl) phosphate,CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3",WYMSBXTXOHUIGT-UHFFFAOYSA-N,C10H14NO6P,275.19,275.0558742,2,90.6,300,0,0,6,6,18,,"336 to 338 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, 2-CHLORO-, HYDROCHLORIDE",000137-04-2,67298,2-chloroaniline;hydrochloride,C1=CC=C(C(=C1)N)Cl.Cl,"InChI=1S/C6H6ClN.ClH/c7-5-3-1-2-4-6(5)8;/h1-4H,8H2;1H",DRGIDRZFKRLQTE-UHFFFAOYSA-N,C6H7Cl2N,164.03,162.9955546,,26,74,0,2,1,0,9,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Phenethylamine, N,alpha-dimethyl-, hydrochloride",000300-42-5,9306,N-methyl-1-phenylpropan-2-amine;hydrochloride,CC(CC1=CC=CC=C1)NC.Cl,"InChI=1S/C10H15N.ClH/c1-9(11-2)8-10-6-4-3-5-7-10;/h3-7,9,11H,8H2,1-2H3;1H",TWXDDNPPQUTEOV-UHFFFAOYSA-N,C10H16ClN,185.69,185.0971272,,12,95,0,2,1,3,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"CARBAMIMIDOTHIOIC ACID, PHENYLMETHYL ESTER, MONOHYDROCHLORIDE",000538-28-3,10852,benzyl carbamimidothioate;hydrochloride,C1=CC=C(C=C1)CSC(=N)N.Cl,"InChI=1S/C8H10N2S.ClH/c9-8(10)11-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H3,9,10);1H",WJAASTDRAAMYNK-UHFFFAOYSA-N,C8H11ClN2S,202.71,202.0331472,,75.2,130,0,3,2,3,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 4-METHYL-2,6-DINITRO-",000609-93-8,11872,"4-methyl-2,6-dinitrophenol",CC1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-],"InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)7(10)6(3-4)9(13)14/h2-3,10H,1H3",HOYRZHJJAHRMLL-UHFFFAOYSA-N,C7H6N2O5,198.13,198.0276713,1.7,112,221,0,1,5,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHENYLMERCURIC IODIDE,000823-04-1,164736,iodo(phenyl)mercury,C1=CC=C(C=C1)[Hg]I,InChI=1S/C6H5.Hg.HI/c1-2-4-6-5-3-1;;/h1-5H;;1H/q;+1;/p-1,BISBXZWWFIOZSX-UHFFFAOYSA-M,C6H5HgI,404.6,405.91424,,0,59,0,0,0,0,8,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
PHENYL(TRICHLOROMETHYL)MERCURY,003294-57-3,76799,phenyl(trichloromethyl)mercury,C1=CC=C(C=C1)[Hg]C(Cl)(Cl)Cl,InChI=1S/C6H5.CCl3.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;;,MVIAEGXPYBMVPT-UHFFFAOYSA-N,C7H5Cl3Hg,396.1,395.916327,,0,115,0,0,0,1,11,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
CHLORTHIOPHOS,021923-23-9,30859,"(2,5-dichloro-4-methylsulfanylphenoxy)-diethoxy-sulfanylidene-lambda5-phosphane",CCOP(=S)(OCC)OC1=CC(=C(C=C1Cl)SC)Cl,"InChI=1S/C11H15Cl2O3PS2/c1-4-14-17(18,15-5-2)16-10-6-9(13)11(19-3)7-8(10)12/h6-7H,4-5H2,1-3H3",JAZJVWLGNLCNDD-UHFFFAOYSA-N,C11H15Cl2O3PS2,361.2,359.9577291,6,85.1,312,0,0,5,7,19,,"307 to 316 °F at 0.013 mmHg (EPA, 1998)",1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-BROMO-2,5-DIMETHOXYPHENETHYLAMINE 9NEXUS, 2-CB, HAS BEEN SOLD AS ECSTASY)",066142-81-2,98527,"2-(4-bromo-2,5-dimethoxyphenyl)ethanamine",COC1=CC(=C(C=C1CCN)OC)Br,"InChI=1S/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3",YMHOBZXQZVXHBM-UHFFFAOYSA-N,C10H14BrNO2,260.13,259.02079,2.1,44.5,168,0,1,3,4,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-DINITROBENZENE-D4",054247-05-1,185765,"1,2,3,5-tetradeuterio-4,6-dinitrobenzene",[2H]C1=C(C(=C(C(=C1[2H])[N+](=O)[O-])[2H])[N+](=O)[O-])[2H],"InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H/i1D,2D,3D,4D",WDCYWAQPCXBPJA-RHQRLBAQSA-N,C6H4N2O4,172.13,172.0422136,1.5,91.6,175,0,0,4,0,12,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
FONOFOS,000944-22-9,13676,ethoxy-ethyl-phenylsulfanyl-sulfanylidene-lambda5-phosphane,CCOP(=S)(CC)SC1=CC=CC=C1,"InChI=1S/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3",KVGLBTYUCJYMND-UHFFFAOYSA-N,C10H15OPS2,246.3,246.0301944,3.9,66.6,202,0,0,3,5,14,"greater than 201 °F (NIOSH, 2024)","266 °F at 0.1 mmHg (EPA, 1998)",1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-DICYANOBENZENE",000091-15-6,7042,"benzene-1,2-dicarbonitrile",C1=CC=C(C(=C1)C#N)C#N,InChI=1S/C8H4N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,XQZYPMVTSDWCCE-UHFFFAOYSA-N,C8H4N2,128.13,128.0374481,1,47.6,178,0,0,2,0,10,162 °C,304.5 °C,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
O-CRESOL,000095-48-7,335,2-methylphenol,CC1=CC=CC=C1O,"InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3",QWVGKYWNOKOFNN-UHFFFAOYSA-N,C7H8O,108.14,108.0575149,2,20.2,70,0,1,1,0,8,"177.8 to 181.4 °F (EPA, 1998)","376 °F at 760 mmHg (EPA, 1998)",0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PHENYL ISOTHIOCYANATE,000103-72-0,7673,isothiocyanatobenzene,C1=CC=C(C=C1)N=C=S,InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H,QKFJKGMPGYROCL-UHFFFAOYSA-N,C7H5NS,135.19,135.0142703,3.3,44.5,121,0,0,2,1,9,,,1,0,0,1,0,0,1,1,0,0,1,0,0,1,1,0,1,1,0,0
CARBONYL CYANIDE P-TRIFLUOROMETHOXY PHENYLHYDRAZONE,000370-86-5,3330,2-[[4-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile,C1=CC(=CC=C1NN=C(C#N)C#N)OC(F)(F)F,"InChI=1S/C10H5F3N4O/c11-10(12,13)18-9-3-1-7(2-4-9)16-17-8(5-14)6-15/h1-4,16H",BMZRVOVNUMQTIN-UHFFFAOYSA-N,C10H5F3N4O,254.17,254.0415453,3.7,81.2,388,0,1,8,3,18,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"3,5-DIBROMO-4-HYDROXYBENZONITRILE",001689-84-5,15531,"3,5-dibromo-4-hydroxybenzonitrile",C1=C(C=C(C(=C1Br)O)Br)C#N,"InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H",UPMXNNIRAGDFEH-UHFFFAOYSA-N,C7H3Br2NO,276.91,276.85609,3.5,44,176,0,1,2,0,11,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,1,0,0
PARA-THIOCRESOL,000106-45-6,7811,4-methylbenzenethiol,CC1=CC=C(C=C1)S,"InChI=1S/C7H8S/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3",WLHCBQAPPJAULW-UHFFFAOYSA-N,C7H8S,124.21,124.0346714,2.9,1,62,0,1,1,0,8,68 °C,195 °C @ 760 mm Hg,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-AMPHETAMINE,000156-34-3,32893,(2R)-1-phenylpropan-2-amine,C[C@H](CC1=CC=CC=C1)N,"InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1",KWTSXDURSIMDCE-MRVPVSSYSA-N,C9H13N,135.21,135.1047994,1.8,26,84,0,1,1,2,10,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,3-DINITROPHENOL, MOISTENED WITH WATER",000066-56-8,6191,"2,3-dinitrophenol",C1=CC(=C(C(=C1)O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C6H4N2O5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H",MHKBMNACOMRIAW-UHFFFAOYSA-N,C6H4N2O5,184.11,184.0120212,1.9,112,220,0,1,5,0,13,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2-AMINO-4,6-DINITROTOLUENE",035572-78-2,37182,"2-methyl-3,5-dinitroaniline",CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N,"InChI=1S/C7H7N3O4/c1-4-6(8)2-5(9(11)12)3-7(4)10(13)14/h2-3H,8H2,1H3",IEEJAAUSLQCGJH-UHFFFAOYSA-N,C7H7N3O4,197.15,197.0436557,1.1,118,246,0,1,5,0,14,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
P-TOLUIDINE HYDROCHLORIDE,000540-23-8,10891,4-methylaniline;hydrochloride,CC1=CC=C(C=C1)N.Cl,"InChI=1S/C7H9N.ClH/c1-6-2-4-7(8)5-3-6;/h2-5H,8H2,1H3;1H",JQKBUTDZZRGQDR-UHFFFAOYSA-N,C7H10ClN,143.61,143.050177,,26,62,0,2,1,0,9,,"495.5 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,0,1,0,0
PHENOL-D5,004165-62-2,12205419,"2,3,4,5,6-pentadeuteriophenol",[2H]C1=C(C(=C(C(=C1[2H])[2H])O)[2H])[2H],"InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/i1D,2D,3D,4D,5D",ISWSIDIOOBJBQZ-RALIUCGRSA-N,C6H6O,99.14,99.07324854,1.5,20.2,46,0,1,1,0,7,,,0,1,1,1,0,0,0,0,0,0,1,0,0,0,0,0,1,0,1,0
2-ANILINOETHANOL,000122-98-5,31235,2-anilinoethanol,C1=CC=C(C=C1)NCCO,"InChI=1S/C8H11NO/c10-7-6-9-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2",MWGATWIBSKHFMR-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,0.8,32.3,79,0,2,2,3,10,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0
3-DIETHYLAMINOPHENOL,000091-68-9,7062,3-(diethylamino)phenol,CCN(CC)C1=CC(=CC=C1)O,"InChI=1S/C10H15NO/c1-3-11(4-2)9-6-5-7-10(12)8-9/h5-8,12H,3-4H2,1-2H3",WAVOOWVINKGEHS-UHFFFAOYSA-N,C10H15NO,165.23,165.1153641,2.3,23.5,123,0,1,2,3,12,,"529 to 536 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(4-AMINOBENZOYL)GLYCINE,000061-78-9,2148,2-[(4-aminobenzoyl)amino]acetic acid,C1=CC(=CC=C1C(=O)NCC(=O)O)N,"InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)",HSMNQINEKMPTIC-UHFFFAOYSA-N,C9H10N2O3,194.19,194.0691422,-0.9,92.4,222,0,3,4,3,14,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PENTABROMOPHENOL,000608-71-9,11852,"2,3,4,5,6-pentabromophenol",C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)O,InChI=1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H,SVHOVVJFOWGYJO-UHFFFAOYSA-N,C6HBr5O,488.59,487.59033,5,20.2,150,0,1,1,0,12,,"Sublimes (NTP, 1992)",1,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DINITROTOLUENE-ALPHA, ALPHA, ALPHA-D3",093951-90-7,16213875,"1,3-dinitro-2-(trideuteriomethyl)benzene",[2H]C([2H])([2H])C1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3/i1D3",XTRDKALNCIHHNI-FIBGUPNXSA-N,C7H6N2O4,185.15,185.0515869,2.1,91.6,198,0,0,4,0,13,,,0,1,1,1,0,1,1,0,0,0,1,0,0,1,0,0,0,0,1,0
4-FLUOROCINNAMOYL CHLORIDE,013565-08-7,5706471,(E)-3-(4-fluorophenyl)prop-2-enoyl chloride,C1=CC(=CC=C1/C=C/C(=O)Cl)F,InChI=1S/C9H6ClFO/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1-6H/b6-3+,GLBIKPKWQDIQCJ-ZZXKWVIFSA-N,C9H6ClFO,184.59,184.0091207,2.9,17.1,183,0,0,2,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-CYANOPHENYLBORONIC ACID,126747-14-6,2734326,(4-cyanophenyl)boronic acid,B(C1=CC=C(C=C1)C#N)(O)O,"InChI=1S/C7H6BNO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H",CEBAHYWORUOILU-UHFFFAOYSA-N,C7H6BNO2,146.94,147.0491586,,64.3,167,0,2,3,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LITHIUM P-TOLUENESULFINATE,016844-27-2,23663664,lithium 4-methylbenzenesulfinate,[Li+].CC1=CC=C(C=C1)S(=O)[O-],"InChI=1S/C7H8O2S.Li/c1-6-2-4-7(5-3-6)10(8)9;/h2-5H,1H3,(H,8,9);/q;+1/p-1",MSUZXYWQEDRGFN-UHFFFAOYSA-M,C7H7LiO2S,162.2,162.0326791,,59.3,132,0,0,3,1,11,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-CHLORO-5-FLUORO-2-METHOXY-4-NITROBENZENE,084478-76-2,2779295,1-chloro-5-fluoro-2-methoxy-4-nitrobenzene,COC1=C(C=C(C(=C1)[N+](=O)[O-])F)Cl,"InChI=1S/C7H5ClFNO3/c1-13-7-3-6(10(11)12)5(9)2-4(7)8/h2-3H,1H3",CRONHBXGPYQWHX-UHFFFAOYSA-N,C7H5ClFNO3,205.57,204.9941989,2.5,55.1,199,0,0,4,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(TRIFLUOROMETHYL)THIOPHENOL,000825-83-2,136653,4-(trifluoromethyl)benzenethiol,C1=CC(=CC=C1C(F)(F)F)S,"InChI=1S/C7H5F3S/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H",WCMLRSZJUIKVCW-UHFFFAOYSA-N,C7H5F3S,178.18,178.0064058,3.3,1,124,0,1,4,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, 2-(DIETHYLAMINO)-N-(2,6-DIMETHYLPHENYL)-, MONOHYDROCHLORIDE",000073-78-9,6314,"2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;hydrochloride",CCN(CC)CC(=O)NC1=C(C=CC=C1C)C.Cl,"InChI=1S/C14H22N2O.ClH/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;/h7-9H,5-6,10H2,1-4H3,(H,15,17);1H",IYBQHJMYDGVZRY-UHFFFAOYSA-N,C14H23ClN2O,270.8,270.1498911,,32.3,228,0,2,2,5,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1-(1-METHYLETHYL)-2,4-DINITRO-",000089-07-6,66629,"2,4-dinitro-1-propan-2-ylbenzene",CC(C)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C9H10N2O4/c1-6(2)8-4-3-7(10(12)13)5-9(8)11(14)15/h3-6H,1-2H3",BAWGGSYXBBWRAO-UHFFFAOYSA-N,C9H10N2O4,210.19,210.0640568,2.7,91.6,256,0,0,4,1,15,,,0,1,1,1,0,1,1,0,0,0,1,0,0,1,0,0,0,0,1,0
"BENZENAMINE, 2,5-DIMETHOXY-",000102-56-7,7613,"2,5-dimethoxyaniline",COC1=CC(=C(C=C1)OC)N,"InChI=1S/C8H11NO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,9H2,1-2H3",NAZDVUBIEPVUKE-UHFFFAOYSA-N,C8H11NO2,153.18,153.0789786,1.2,44.5,119,0,1,3,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"BENZENE, (2-NITROETHENYL)-",000102-96-5,7626,2-nitroethenylbenzene,C1=CC=C(C=C1)C=C[N+](=O)[O-],InChI=1S/C8H7NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,PIAOLBVUVDXHHL-UHFFFAOYSA-N,C8H7NO2,149.15,149.0476785,2.1,45.8,154,0,0,2,1,11,,"482 to 500 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HYDRAZINE, (2,5-DICHLOROPHENYL)-",000305-15-7,9366,"(2,5-dichlorophenyl)hydrazine",C1=CC(=C(C=C1Cl)NN)Cl,"InChI=1S/C6H6Cl2N2/c7-4-1-2-5(8)6(3-4)10-9/h1-3,10H,9H2",LZKWWERBNXLGLI-UHFFFAOYSA-N,C6H6Cl2N2,177.03,175.9908036,2.4,38.1,110,0,2,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
FENFLURAMINE,000458-24-2,3337,N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine,CCNC(C)CC1=CC(=CC=C1)C(F)(F)F,"InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3",DBGIVFWFUFKIQN-UHFFFAOYSA-N,C12H16F3N,231.26,231.123484,3.4,12,203,0,1,4,4,16,,108-112,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 2-CHLORO-1,3-DINITRO-",000606-21-3,11814,"2-chloro-1,3-dinitrobenzene",C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-],InChI=1S/C6H3ClN2O4/c7-6-4(8(10)11)2-1-3-5(6)9(12)13/h1-3H,BPPMIQPXQVIZNJ-UHFFFAOYSA-N,C6H3ClN2O4,202.55,201.9781343,1.8,91.6,202,0,0,4,0,13,,315 °C,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"BENZENAMINE, N-ETHYL-N-METHYL-",000613-97-8,11956,N-ethyl-N-methylaniline,CCN(C)C1=CC=CC=C1,"InChI=1S/C9H13N/c1-3-10(2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3",PPHQUIPUBYPZLD-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,2.9,3.2,84,0,0,1,2,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, 2,4,5-TRICHLORO-",000636-30-6,12487,"2,4,5-trichloroaniline",C1=C(C(=CC(=C1Cl)Cl)Cl)N,"InChI=1S/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2",GUMCAKKKNKYFEB-UHFFFAOYSA-N,C6H4Cl3N,196.5,194.940932,3.7,26,120,0,1,1,0,10,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"HYDRAZINECARBOTHIOAMIDE, 2-PHENYL-",000645-48-7,2781094,anilinothiourea,C1=CC=C(C=C1)NNC(=S)N,"InChI=1S/C7H9N3S/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5,9H,(H3,8,10,11)",JDXKTOBMLZLCSB-UHFFFAOYSA-N,C7H9N3S,167.23,167.0517185,0.7,82.2,132,0,3,2,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenethylamine, N,alpha-dimethyl-, hydrochloride, (-)-",000826-10-8,12213639,(2R)-N-methyl-1-phenylpropan-2-amine;hydrochloride,C[C@H](CC1=CC=CC=C1)NC.Cl,"InChI=1S/C10H15N.ClH/c1-9(11-2)8-10-6-4-3-5-7-10;/h3-7,9,11H,8H2,1-2H3;1H/t9-;/m1./s1",TWXDDNPPQUTEOV-SBSPUUFOSA-N,C10H16ClN,185.69,185.0971272,,12,95,0,2,1,3,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1,3-BENZENEDIAMINE, N,N-DIMETHYL-",002836-04-6,76084,"3-N,3-N-dimethylbenzene-1,3-diamine",CN(C)C1=CC=CC(=C1)N,"InChI=1S/C8H12N2/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,9H2,1-2H3",HHSBHVJQXZLIRW-UHFFFAOYSA-N,C8H12N2,136.19,136.1000484,1.2,29.3,101,0,1,2,1,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-BENZENEDIAMINE, N,N-DIMETHYL-, DIHYDROCHLORIDE",003575-32-4,77124,"3-N,3-N-dimethylbenzene-1,3-diamine;dihydrochloride",CN(C)C1=CC=CC(=C1)N.Cl.Cl,"InChI=1S/C8H12N2.2ClH/c1-10(2)8-5-3-4-7(9)6-8;;/h3-6H,9H2,1-2H3;2*1H",BZJPIQKDEGXVFG-UHFFFAOYSA-N,C8H14Cl2N2,209.11,208.0534038,,29.3,101,0,3,2,1,12,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"BENZENEMETHANOL, .ALPHA.-ETHYL-4-METHOXY-",005349-60-0,92218,1-(4-methoxyphenyl)propan-1-ol,CCC(C1=CC=C(C=C1)OC)O,"InChI=1S/C10H14O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7,10-11H,3H2,1-2H3",RELLLNVFFUWXHI-UHFFFAOYSA-N,C10H14O2,166.22,166.0993797,1.9,29.5,117,0,1,2,3,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANEDINITRILE, (1-PHENYLETHYLIDENE)-",005447-87-0,79530,2-(1-phenylethylidene)propanedinitrile,CC(=C(C#N)C#N)C1=CC=CC=C1,"InChI=1S/C11H8N2/c1-9(11(7-12)8-13)10-5-3-2-4-6-10/h2-6H,1H3",ZVOMMPYHGITOEF-UHFFFAOYSA-N,C11H8N2,168.19,168.0687483,2.1,47.6,283,0,0,2,1,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZONITRILE, 2-AMINO-5-CHLORO-",005922-60-1,80019,2-amino-5-chlorobenzonitrile,C1=CC(=C(C=C1Cl)C#N)N,"InChI=1S/C7H5ClN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2",QYRDWARBHMCOAG-UHFFFAOYSA-N,C7H5ClN2,152.58,152.0141259,2.6,49.8,160,0,1,2,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENETHIOL, 2-BROMO-",006320-02-1,80598,2-bromobenzenethiol,C1=CC=C(C(=C1)S)Br,"InChI=1S/C6H5BrS/c7-5-3-1-2-4-6(5)8/h1-4,8H",YUQUNWNSQDULTI-UHFFFAOYSA-N,C6H5BrS,189.07,187.92953,2.8,1,74,0,1,1,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,3-BUTANETRIONE, 1-PHENYL-, 2-OXIME",006797-44-0,135535932,(E)-4-hydroxy-3-nitroso-4-phenylbut-3-en-2-one,CC(=O)/C(=C(/C1=CC=CC=C1)\O)/N=O,"InChI=1S/C10H9NO3/c1-7(12)9(11-14)10(13)8-5-3-2-4-6-8/h2-6,13H,1H3/b10-9+",UMQCXGGBHYGWTG-MDZDMXLPSA-N,C10H9NO3,191.18,191.0582431,1.6,66.7,265,0,1,4,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, PENTACHLORO-, POTASSIUM SALT",007778-73-6,23669628,"potassium 2,3,4,5,6-pentachlorophenolate",C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-].[K+],InChI=1S/C6HCl5O.K/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;/q;+1/p-1,WYQQGYULUDOPRU-UHFFFAOYSA-M,C6Cl5KO,304.4,303.799934,,23.1,155,0,0,1,0,13,,,1,1,1,1,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMOBENZYL CYANIDE,016532-79-9,27914,2-(4-bromophenyl)acetonitrile,C1=CC(=CC=C1CC#N)Br,"InChI=1S/C8H6BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2",MFHFWRBXPQDZSA-UHFFFAOYSA-N,C8H6BrN,196.04,194.96836,2.5,23.8,139,0,0,1,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZONITRILE, 2-AMINO-4-CHLORO-",038487-86-4,170059,2-amino-4-chlorobenzonitrile,C1=CC(=C(C=C1Cl)N)C#N,"InChI=1S/C7H5ClN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2",UZHALXIAWJOLLR-UHFFFAOYSA-N,C7H5ClN2,152.58,152.0141259,2.6,49.8,160,0,1,2,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 2-ISOCYANATO-1,4-DIMETHYL-",040397-98-6,98605,"2-isocyanato-1,4-dimethylbenzene",CC1=CC(=C(C=C1)C)N=C=O,"InChI=1S/C9H9NO/c1-7-3-4-8(2)9(5-7)10-6-11/h3-5H,1-2H3",SOXVXJQIQVOCAY-UHFFFAOYSA-N,C9H9NO,147.17,147.0684139,3.5,29.4,172,0,0,2,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"1,4-BENZENEDISULFONIC ACID, 2-AMINO-, SODIUM SALT",076684-33-8,90554,"disodium;2-aminobenzene-1,4-disulfonate",C1=CC(=C(C=C1S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C6H7NO6S2.2Na/c7-5-3-4(14(8,9)10)1-2-6(5)15(11,12)13;;/h1-3H,7H2,(H,8,9,10)(H,11,12,13);;/q;2*+1/p-2",QYUDDCLXBAJUNA-UHFFFAOYSA-L,C6H5NNa2O6S2,297.2,296.9353678,,157,389,0,1,7,0,17,,,1,1,1,1,0,1,0,1,0,0,1,0,0,0,0,0,1,1,1,0
4-METHYL-N-METHYLCATHINONE,1189805-46-6,45266826,2-(methylamino)-1-(4-methylphenyl)propan-1-one,CC1=CC=C(C=C1)C(=O)C(C)NC,"InChI=1S/C11H15NO/c1-8-4-6-10(7-5-8)11(13)9(2)12-3/h4-7,9,12H,1-3H3",YELGFTGWJGBAQU-UHFFFAOYSA-N,C11H15NO,177.24,177.1153641,2,29.1,171,0,1,2,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"1,3,5-BENZENETRIAMINE",000108-72-5,66952,"benzene-1,3,5-triamine",C1=C(C=C(C=C1N)N)N,"InChI=1S/C6H9N3/c7-4-1-5(8)3-6(9)2-4/h1-3H,7-9H2",RPHKINMPYFJSCF-UHFFFAOYSA-N,C6H9N3,123.16,123.0796473,-0.1,78.1,63,0,3,3,0,9,,,1,1,1,1,0,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0
"2,5-XYLIDINE",000095-78-3,7259,"2,5-dimethylaniline",CC1=CC(=C(C=C1)C)N,"InChI=1S/C8H11N/c1-6-3-4-7(2)8(9)5-6/h3-5H,9H2,1-2H3",VOWZNBNDMFLQGM-UHFFFAOYSA-N,C8H11N,121.18,121.0891494,1.8,26,90,0,1,1,0,9,"201 °F (NTP, 1992)","417 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
O-CHLOROANILINE,000095-51-2,7240,2-chloroaniline,C1=CC=C(C(=C1)N)Cl,"InChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2",AKCRQHGQIJBRMN-UHFFFAOYSA-N,C6H6ClN,127.57,127.0188769,1.9,26,74,0,1,1,0,8,"208 °F (NTP, 1992)","406 to 410 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,0,1,1,0,0,1,0,0,0,0,0,0,0,1,0
M-ANISIDINE,000536-90-3,10824,3-methoxyaniline,COC1=CC=CC(=C1)N,"InChI=1S/C7H9NO/c1-9-7-4-2-3-6(8)5-7/h2-5H,8H2,1H3",NCBZRJODKRCREW-UHFFFAOYSA-N,C7H9NO,123.15,123.0684139,0.9,35.3,85,0,1,2,1,9,"greater than 235 °F (NTP, 1992)","484 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
M-NITROTOLUENE,000099-08-1,7422,1-methyl-3-nitrobenzene,CC1=CC(=CC=C1)[N+](=O)[O-],"InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3",QZYHIOPPLUPUJF-UHFFFAOYSA-N,C7H7NO2,137.14,137.0476785,2.4,45.8,130,0,0,2,0,10,"223 °F (NTP, 1992)","450.7 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"METHAMPHETAMINE (DESOXYN, ICE, CRANK, SPEED, D-DESOXYEPHEDRINE)",000537-46-2,10836,(2S)-N-methyl-1-phenylpropan-2-amine,C[C@@H](CC1=CC=CC=C1)NC,"InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1",MYWUZJCMWCOHBA-VIFPVBQESA-N,C10H15N,149.23,149.1204495,2.1,12,95,0,1,1,3,11,9.7 °C (49.5 °F) - closed cup,212 °C,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"N,N-DIETHYLANILINE",000091-66-7,7061,"N,N-diethylaniline",CCN(CC)C1=CC=CC=C1,"InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3",GGSUCNLOZRCGPQ-UHFFFAOYSA-N,C10H15N,149.23,149.1204495,3.3,3.2,91,0,0,1,3,11,"185 °F (NTP, 1992)","419.9 °F at 760 mmHg ; 198 °F at 10 mmHg (NTP, 1992)",0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"PHENOL, 2-AMINO-4,6-DINITRO-, MONOSODIUM SALT",000831-52-7,5362461,"sodium 2-amino-4,6-dinitrophenolate",C1=C(C=C(C(=C1N)[O-])[N+](=O)[O-])[N+](=O)[O-].[Na+],"InChI=1S/C6H5N3O5.Na/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14;/h1-2,10H,7H2;/q;+1/p-1",UENNEPPWFZYINW-UHFFFAOYSA-M,C6H4N3NaO5,221.1,221.0048645,,141,247,0,1,6,0,15,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
PHENYLMERCURY ACETATE,000062-38-4,16682730,acetyloxy(phenyl)mercury,CC(=O)O[Hg]C1=CC=CC=C1,"InChI=1S/C6H5.C2H4O2.Hg/c1-2-4-6-5-3-1;1-2(3)4;/h1-5H;1H3,(H,3,4);/q;;+1/p-1",XEBWQGVWTUSTLN-UHFFFAOYSA-M,C8H8HgO2,336.74,338.023073,,26.3,130,0,0,2,3,11,"140 °F (USCG, 1999)",,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,1,0
CARBOPHENOTHION,000786-19-6,13081,(4-chlorophenyl)sulfanylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane,CCOP(=S)(OCC)SCSC1=CC=C(C=C1)Cl,"InChI=1S/C11H16ClO2PS3/c1-3-13-15(16,14-4-2)18-9-17-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3",VEDTXTNSFWUXGQ-UHFFFAOYSA-N,C11H16ClO2PS3,342.9,341.973858,5.3,101,263,0,0,5,8,18,,"180 °F at 0.01 mmHg (EPA, 1998)",1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
PENTACHLOROPHENOL,000087-86-5,992,"2,3,4,5,6-pentachlorophenol",C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O,InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H,IZUPBVBPLAPZRR-UHFFFAOYSA-N,C6HCl5O,266.3,265.844053,5.1,20.2,150,0,1,1,0,12,,"588 to 590 °F at 760 mmHg (with decomposition) (NTP, 1992)",1,1,1,1,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0,1
M-PHENYLENEDIAMINE,000108-45-2,7935,"benzene-1,3-diamine",C1=CC(=CC(=C1)N)N,"InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2",WZCQRUWWHSTZEM-UHFFFAOYSA-N,C6H8N2,108.14,108.0687483,-0.3,52,64,0,2,2,0,8,"280 °F (NTP, 1992)","540 to 543 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0
P-PHENYLENEDIAMINE,000106-50-3,7814,"benzene-1,4-diamine",C1=CC(=CC=C1N)N,"InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2",CBCKQZAAMUWICA-UHFFFAOYSA-N,C6H8N2,108.14,108.0687483,-0.3,52,54,0,2,2,0,8,"311 °F (NTP, 1992)","513 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"3,4-DICHLOROANILINE",000095-76-1,7257,"3,4-dichloroaniline",C1=CC(=C(C=C1N)Cl)Cl,"InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2",SDYWXFYBZPNOFX-UHFFFAOYSA-N,C6H5Cl2N,162.01,160.9799046,2.7,26,97,0,1,1,0,9,"331 °F (NTP, 1992)","522 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
O-ANISIDINE,000090-04-0,7000,2-methoxyaniline,COC1=CC=CC=C1N,"InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3",VMPITZXILSNTON-UHFFFAOYSA-N,C7H9NO,123.15,123.0684139,1.2,35.3,85,0,1,2,1,9,"210 °F (NTP, 1992)","437 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
P-NITROTOLUENE,000099-99-0,7473,1-methyl-4-nitrobenzene,CC1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3",ZPTVNYMJQHSSEA-UHFFFAOYSA-N,C7H7NO2,137.14,137.0476785,2.4,45.8,122,0,0,2,0,10,"223 °F (NTP, 1992)","460.9 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"3,4-DIMETHYLPHENOL",000095-65-8,7249,"3,4-dimethylphenol",CC1=C(C=C(C=C1)O)C,"InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3",YCOXTKKNXUZSKD-UHFFFAOYSA-N,C8H10O,122.16,122.0731649,2.2,20.2,90,0,1,1,0,9,,"437 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
2-METHYL-6-NITROANILINE,000570-24-1,11298,2-methyl-6-nitroaniline,CC1=C(C(=CC=C1)[N+](=O)[O-])N,"InChI=1S/C7H8N2O2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,8H2,1H3",FCMRHMPITHLLLA-UHFFFAOYSA-N,C7H8N2O2,152.15,152.0585775,2,71.8,155,0,1,3,0,11,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
1-CHLORO-2-NITROBENZENE,000088-73-3,6945,1-chloro-2-nitrobenzene,C1=CC=C(C(=C1)[N+](=O)[O-])Cl,InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,BFCFYVKQTRLZHA-UHFFFAOYSA-N,C6H4ClNO2,157.55,156.9930561,2.2,45.8,134,0,0,2,0,10,"261 °F (NTP, 1992)","475 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
O-PHENYLENEDIAMINE,000095-54-5,7243,"benzene-1,2-diamine",C1=CC=C(C(=C1)N)N,"InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2",GEYOCULIXLDCMW-UHFFFAOYSA-N,C6H8N2,108.14,108.0687483,0.1,52,62,0,2,2,0,8,"313 °F (NFPA, 2010)","493 to 496 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0
"2,3-DICHLORONITROBENZENE",003209-22-1,18555,"1,2-dichloro-3-nitrobenzene",C1=CC(=C(C(=C1)Cl)Cl)[N+](=O)[O-],InChI=1S/C6H3Cl2NO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,CMVQZRLQEOAYSW-UHFFFAOYSA-N,C6H3Cl2NO2,192,190.9540837,3,45.8,159,0,0,2,0,11,"255 °F (NTP, 1992)","495 to 496 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
O-TOLUIDINE HYDROCHLORIDE,000636-21-5,12484,2-methylaniline;hydrochloride,CC1=CC=CC=C1N.Cl,"InChI=1S/C7H9N.ClH/c1-6-4-2-3-5-7(6)8;/h2-5H,8H2,1H3;1H",OGVXWEOZQMAAIM-UHFFFAOYSA-N,C7H10ClN,143.61,143.050177,,26,70,0,2,1,0,9,,"468 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-BROMOANILINE,000106-40-1,7807,4-bromoaniline,C1=CC(=CC=C1N)Br,"InChI=1S/C6H6BrN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2",WDFQBORIUYODSI-UHFFFAOYSA-N,C6H6BrN,172.02,170.96836,2.3,26,66,0,1,1,0,8,,"Decomposes (NTP, 1992)",0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
P-TERT-BUTYLBENZOIC ACID,000098-73-7,7403,4-tert-butylbenzoic acid,CC(C)(C)C1=CC=C(C=C1)C(=O)O,"InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)",KDVYCTOWXSLNNI-UHFFFAOYSA-N,C11H14O2,178.23,178.0993797,3.9,37.3,183,0,1,2,2,13,158 °C,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
PHENYLACETALDEHYDE,000122-78-1,998,2-phenylacetaldehyde,C1=CC=C(C=C1)CC=O,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",DTUQWGWMVIHBKE-UHFFFAOYSA-N,C8H8O,120.15,120.0575149,1.8,17.1,82,0,0,1,2,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
4-CHLORO-3-METHYLPHENOL,000059-50-7,1732,4-chloro-3-methylphenol,CC1=C(C=CC(=C1)O)Cl,"InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3",CFKMVGJGLGKFKI-UHFFFAOYSA-N,C7H7ClO,142.58,142.0185425,3.1,20.2,94,0,1,1,0,9,"230 °F (NTP, 1992)","455 °F at 760 mmHg (NTP, 1992)",1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"1,2-BIS(BROMOMETHYL)BENZENE",000091-13-4,66665,"1,2-bis(bromomethyl)benzene",C1=CC=C(C(=C1)CBr)CBr,"InChI=1S/C8H8Br2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2",KGKAYWMGPDWLQZ-UHFFFAOYSA-N,C8H8Br2,263.96,263.89723,3,0,81,0,0,0,2,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1-PHENYL-1,2-PROPANEDIONE",000579-07-7,11363,"1-phenylpropane-1,2-dione",CC(=O)C(=O)C1=CC=CC=C1,"InChI=1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3",BVQVLAIMHVDZEL-UHFFFAOYSA-N,C9H8O2,148.16,148.0524295,1.7,34.1,166,0,0,2,2,11,,103.00 to 105.00 °C. @ 14.00 mm Hg,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
3-METHOXYPHENOL,000150-19-6,9007,3-methoxyphenol,COC1=CC=CC(=C1)O,"InChI=1S/C7H8O2/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H3",ASHGTJPOSUFTGB-UHFFFAOYSA-N,C7H8O2,124.14,124.0524295,1.6,29.5,83,0,1,2,1,9,,471.2 °F,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-NITROANISOLE,000091-23-6,7048,1-methoxy-2-nitrobenzene,COC1=CC=CC=C1[N+](=O)[O-],"InChI=1S/C7H7NO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3",CFBYEGUGFPZCNF-UHFFFAOYSA-N,C7H7NO3,153.14,153.0425931,1.7,55.1,143,0,0,3,1,11,124 °C,277 °C; 144 °C at 4 mm Hg,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-FLUOROPHENOL,000371-41-5,9732,4-fluorophenol,C1=CC(=CC=C1O)F,"InChI=1S/C6H5FO/c7-5-1-3-6(8)4-2-5/h1-4,8H",RHMPLDJJXGPMEX-UHFFFAOYSA-N,C6H5FO,112.1,112.0324429,1.8,20.2,66,0,1,2,0,8,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHYL-3-NITROBENZYL ALCOHOL,040870-59-5,123497,(4-methyl-3-nitrophenyl)methanol,CC1=C(C=C(C=C1)CO)[N+](=O)[O-],"InChI=1S/C8H9NO3/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-4,10H,5H2,1H3",URCWIFSXDARYLY-UHFFFAOYSA-N,C8H9NO3,167.16,167.0582431,1.2,66.1,166,0,1,3,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-PHENYLDIETHANOLAMINE,000120-07-0,8416,2-[N-(2-hydroxyethyl)anilino]ethanol,C1=CC=C(C=C1)N(CCO)CCO,"InChI=1S/C10H15NO2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2",OJPDDQSCZGTACX-UHFFFAOYSA-N,C10H15NO2,181.23,181.1102787,0.4,43.7,118,0,2,3,5,13,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
3-CHLORO-2-METHYLANILINE,000087-60-5,6894,3-chloro-2-methylaniline,CC1=C(C=CC=C1Cl)N,"InChI=1S/C7H8ClN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3",ZUVPLKVDZNDZCM-UHFFFAOYSA-N,C7H8ClN,141.6,141.034527,3,26,94,0,1,1,0,9,,245 °C @ 760 MM HG,0,1,0,1,0,0,1,1,0,0,0,0,0,0,1,0,1,1,1,0
(R)-(+)-ALPHA-METHYLBENZYLAMINE,003886-69-9,643189,(1R)-1-phenylethanamine,C[C@H](C1=CC=CC=C1)N,"InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1",RQEUFEKYXDPUSK-SSDOTTSWSA-N,C8H11N,121.18,121.0891494,1.2,26,74,0,1,1,1,9,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PARA-TOLUENESULFONYL FLUORIDE,000455-16-3,9965,4-methylbenzenesulfonyl fluoride,CC1=CC=C(C=C1)S(=O)(=O)F,"InChI=1S/C7H7FO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3",IZZYABADQVQHLC-UHFFFAOYSA-N,C7H7FO2S,174.19,174.0150788,2.7,42.5,209,0,0,3,1,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DICHLOROMETHYLPHENYLSILANE,000149-74-6,9006,dichloro-methyl-phenylsilane,C[Si](C1=CC=CC=C1)(Cl)Cl,"InChI=1S/C7H8Cl2Si/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3",GNEPOXWQWFSSOU-UHFFFAOYSA-N,C7H8Cl2Si,191.13,189.9772322,,0,108,0,0,0,1,10,"83 °F SUSPECT (EPA, 1998)","401 °F at 760 mmHg (EPA, 1998)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
(R)-(+)-ALPHA-METHYLBENZYL ALCOHOL,001517-69-7,637516,(1R)-1-phenylethanol,C[C@H](C1=CC=CC=C1)O,"InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m1/s1",WAPNOHKVXSQRPX-SSDOTTSWSA-N,C8H10O,122.16,122.0731649,1.4,20.2,74,0,1,1,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
STEARYLDIMETHYLBENZYL AMMONIUM CHLORIDE,000122-19-0,31204,benzyl-dimethyl-octadecylazanium chloride,CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-],"InChI=1S/C27H50N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;/h19-21,23-24H,4-18,22,25-26H2,1-3H3;1H/q+1;/p-1",SFVFIFLLYFPGHH-UHFFFAOYSA-M,C27H50ClN,424.1,423.3631783,,0,316,0,0,1,19,29,,DECOMP @ 120 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-VINYLBENZYL CHLORIDE,001592-20-7,74126,1-(chloromethyl)-4-ethenylbenzene,C=CC1=CC=C(C=C1)CCl,"InChI=1S/C9H9Cl/c1-2-8-3-5-9(7-10)6-4-8/h2-6H,1,7H2",ZRZHXNCATOYMJH-UHFFFAOYSA-N,C9H9Cl,152.62,152.039278,3.1,0,101,0,0,0,2,10,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
DIMETHOXYMETHYLPHENYLSILANE,003027-21-2,18193,dimethoxy-methyl-phenylsilane,CO[Si](C)(C1=CC=CC=C1)OC,"InChI=1S/C9H14O2Si/c1-10-12(3,11-2)9-7-5-4-6-8-9/h4-8H,1-3H3",CVQVSVBUMVSJES-UHFFFAOYSA-N,C9H14O2Si,182.29,182.0763062,,18.5,128,0,0,2,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-TERT-BUTYLPHENYL ISOCYANATE,001943-67-5,2735695,1-tert-butyl-4-isocyanatobenzene,CC(C)(C)C1=CC=C(C=C1)N=C=O,"InChI=1S/C11H13NO/c1-11(2,3)9-4-6-10(7-5-9)12-8-13/h4-7H,1-3H3",WUWBDQJTQTVBSQ-UHFFFAOYSA-N,C11H13NO,175.23,175.099714,4.4,29.4,203,0,0,2,2,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
2-HYDROXYBENZONITRILE,000611-20-1,11907,2-hydroxybenzonitrile,C1=CC=C(C(=C1)C#N)O,"InChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H",CHZCERSEMVWNHL-UHFFFAOYSA-N,C7H5NO,119.12,119.0371138,1.6,44,135,0,1,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
3-ACETYLPHENYL ISOCYANATE,023138-64-9,312718,1-(3-isocyanatophenyl)ethanone,CC(=O)C1=CC(=CC=C1)N=C=O,"InChI=1S/C9H7NO2/c1-7(12)8-3-2-4-9(5-8)10-6-11/h2-5H,1H3",JASTZOAHAWBRLM-UHFFFAOYSA-N,C9H7NO2,161.16,161.0476785,2.4,46.5,219,0,0,3,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"BENZOYL-2,3,4,5,6-D5 CHLORIDE",043019-90-5,2724855,"2,3,4,5,6-pentadeuteriobenzoyl chloride",[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)Cl)[2H])[2H],"InChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D",PASDCCFISLVPSO-RALIUCGRSA-N,C7H5ClO,145.6,145.0342762,2.9,17.1,105,0,0,1,1,9,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
4-HYDRAZINOBENZENE-1-SULFONAMIDE HYDROCHLORIDE,017852-52-7,2794567,4-hydrazinylbenzenesulfonamide;hydrochloride,C1=CC(=CC=C1NN)S(=O)(=O)N.Cl,"InChI=1S/C6H9N3O2S.ClH/c7-9-5-1-3-6(4-2-5)12(8,10)11;/h1-4,9H,7H2,(H2,8,10,11);1H",IKEURONJLPUALY-UHFFFAOYSA-N,C6H10ClN3O2S,223.68,223.0182254,,107,226,0,4,5,2,13,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
ALPHA-BROMO-O-TOLUNITRILE,022115-41-9,89599,2-(bromomethyl)benzonitrile,C1=CC=C(C(=C1)CBr)C#N,"InChI=1S/C8H6BrN/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5H2",QGXNHCXKWFNKCG-UHFFFAOYSA-N,C8H6BrN,196.04,194.96836,2.4,23.8,147,0,0,1,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"3,4,5-TRIFLUOROPHENYLBORONIC ACID",143418-49-9,2734671,"(3,4,5-trifluorophenyl)boronic acid",B(C1=CC(=C(C(=C1)F)F)F)(O)O,"InChI=1S/C6H4BF3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,11-12H",UHDDEIOYXFXNNJ-UHFFFAOYSA-N,C6H4BF3O2,175.9,176.025644,,40.5,146,0,2,5,1,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
2-FLUOROBENZENESULFONYL CHLORIDE,002905-21-7,137761,2-fluorobenzenesulfonyl chloride,C1=CC=C(C(=C1)F)S(=O)(=O)Cl,"InChI=1S/C6H4ClFO2S/c7-11(9,10)6-4-2-1-3-5(6)8/h1-4H",ZSZKAQCISWFDCQ-UHFFFAOYSA-N,C6H4ClFO2S,194.61,193.9604564,2,42.5,221,0,0,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,4-BENZENEDITHIOL",000624-39-5,4691729,"benzene-1,4-dithiol",C1=CC(=CC=C1S)S,"InChI=1S/C6H6S2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H",WYLQRHZSKIDFEP-UHFFFAOYSA-N,C6H6S2,142.2,141.9910925,2.1,2,54,0,2,2,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3,5,6-TETRAFLUOROBENZONITRILE",005216-17-1,297546,"2,3,5,6-tetrafluorobenzonitrile",C1=C(C(=C(C(=C1F)F)C#N)F)F,InChI=1S/C7HF4N/c8-4-1-5(9)7(11)3(2-12)6(4)10/h1H,IOQMWOBRUDNEOA-UHFFFAOYSA-N,C7HF4N,175.08,175.0045117,2.1,23.8,197,0,0,5,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIHYDROXYBENZALDEHYDE",000387-46-2,10285801,"2,6-dihydroxybenzaldehyde",C1=CC(=C(C(=C1)O)C=O)O,"InChI=1S/C7H6O3/c8-4-5-6(9)2-1-3-7(5)10/h1-4,9-10H",DGXAGETVRDOQFP-UHFFFAOYSA-N,C7H6O3,138.12,138.031694,1.2,57.5,114,0,2,3,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(METHYLSULFONYL)-1-PHENYLETHANONE,003708-04-1,19457,2-methylsulfonyl-1-phenylethanone,CS(=O)(=O)CC(=O)C1=CC=CC=C1,"InChI=1S/C9H10O3S/c1-13(11,12)7-9(10)8-5-3-2-4-6-8/h2-6H,7H2,1H3",CAUSPZIZBLGLKW-UHFFFAOYSA-N,C9H10O3S,198.24,198.0350654,1,59.6,268,0,0,3,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
(4-FORMYL-PHENYL)CARBAMIC ACID TERT-BUTYL ESTER,144072-30-0,2771821,tert-butyl N-(4-formylphenyl)carbamate,CC(C)(C)OC(=O)NC1=CC=C(C=C1)C=O,"InChI=1S/C12H15NO3/c1-12(2,3)16-11(15)13-10-6-4-9(8-14)5-7-10/h4-8H,1-3H3,(H,13,15)",SVQVBAUJEKSBEC-UHFFFAOYSA-N,C12H15NO3,221.25,221.1051933,1.9,55.4,249,0,1,3,4,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"N1,N2-DIMETHYLBENZENE-1,2-DIAMINE",003213-79-4,11788324,"1-N,2-N-dimethylbenzene-1,2-diamine",CNC1=CC=CC=C1NC,"InChI=1S/C8H12N2/c1-9-7-5-3-4-6-8(7)10-2/h3-6,9-10H,1-2H3",UMAPFAAAQBMYNJ-UHFFFAOYSA-N,C8H12N2,136.19,136.1000484,1.9,24.1,81,0,2,2,2,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"1,3-BENZENEDISULFONIC ACID, 4-HYDROXY-",000096-77-5,66787,"4-hydroxybenzene-1,3-disulfonic acid",C1=CC(=C(C=C1S(=O)(=O)O)S(=O)(=O)O)O,"InChI=1S/C6H6O7S2/c7-5-2-1-4(14(8,9)10)3-6(5)15(11,12)13/h1-3,7H,(H,8,9,10)(H,11,12,13)",JXBUOZMYKQDZFY-UHFFFAOYSA-N,C6H6O7S2,254.2,253.9554949,-1,146,411,0,3,7,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-(2-PHENOXYETHOXY)-",000104-68-7,7715,2-(2-phenoxyethoxy)ethanol,C1=CC=C(C=C1)OCCOCCO,"InChI=1S/C10H14O3/c11-6-7-12-8-9-13-10-4-2-1-3-5-10/h1-5,11H,6-9H2",ZUAURMBNZUCEAF-UHFFFAOYSA-N,C10H14O3,182.22,182.0942943,1,38.7,111,0,1,3,6,13,167 °C,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZONITRILE, 2-CHLORO-5-(TRIFLUOROMETHYL)-",000328-87-0,67604,2-chloro-5-(trifluoromethyl)benzonitrile,C1=CC(=C(C=C1C(F)(F)F)C#N)Cl,"InChI=1S/C8H3ClF3N/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H",LCISFYAQKHOWBP-UHFFFAOYSA-N,C8H3ClF3N,205.56,204.9906113,3.5,23.8,229,0,0,4,0,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 2,4-DIFLUORO-",000367-25-9,9709,"2,4-difluoroaniline",C1=CC(=C(C=C1F)F)N,"InChI=1S/C6H5F2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2",CEPCPXLLFXPZGW-UHFFFAOYSA-N,C6H5F2N,129.11,129.0390055,1.5,26,97,0,1,3,0,9,"145 °F (NTP, 1992)","338 °F at 753 mmHg (NTP, 1992)",1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZENESULFONYL FLUORIDE,000368-43-4,67779,benzenesulfonyl fluoride,C1=CC=C(C=C1)S(=O)(=O)F,"InChI=1S/C6H5FO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H",IDIPWEYIBKUDNY-UHFFFAOYSA-N,C6H5FO2S,160.17,159.9994287,1,42.5,186,0,0,3,1,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOIC ACID, LITHIUM SALT",000553-54-8,2724073,lithium benzoate,[Li+].C1=CC=C(C=C1)C(=O)[O-],"InChI=1S/C7H6O2.Li/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1",LDJNSLOKTFFLSL-UHFFFAOYSA-M,C7H5LiO2,128.1,128.0449578,,40.1,108,0,0,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Phenethylamine, N-methyl-",000589-08-2,11503,N-methyl-2-phenylethanamine,CNCCC1=CC=CC=C1,"InChI=1S/C9H13N/c1-10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3",SASNBVQSOZSTPD-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,1.9,12,74,0,1,1,3,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1-CHLORO-3-(CHLOROMETHYL)-",000620-20-2,12103,1-chloro-3-(chloromethyl)benzene,C1=CC(=CC(=C1)Cl)CCl,"InChI=1S/C7H6Cl2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2",DDGRAFHHXYIQQR-UHFFFAOYSA-N,C7H6Cl2,161.03,159.9846556,3.2,0,83,0,0,0,1,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,4-BENZENEDICARBONYL DICHLORIDE, 2,3,5,6-TETRACHLORO-",000719-32-4,12868,"2,3,5,6-tetrachlorobenzene-1,4-dicarbonyl chloride",C1(=C(C(=C(C(=C1Cl)Cl)C(=O)Cl)Cl)Cl)C(=O)Cl,InChI=1S/C8Cl6O2/c9-3-1(7(13)15)4(10)6(12)2(5(3)11)8(14)16,YJIRZJAZKDWEIJ-UHFFFAOYSA-N,C8Cl6O2,340.8,339.799995,5.7,34.1,263,0,0,2,2,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEACETONITRILE, .ALPHA.-(HYDROXYIMINO)-",000825-52-5,69998,2-hydroxyimino-2-phenylacetonitrile,C1=CC=C(C=C1)C(=NO)C#N,"InChI=1S/C8H6N2O/c9-6-8(10-11)7-4-2-1-3-5-7/h1-5,11H",MJCQFBKIFDVTTR-UHFFFAOYSA-N,C8H6N2O,146.15,146.0480128,1.8,56.4,195,0,1,3,1,11,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DICHLOROPHENOXYACETIC ACID DIMETHYLAMINE SALT",002008-39-1,16180,"2-(2,4-dichlorophenoxy)acetic acid;N-methylmethanamine",CNC.C1=CC(=C(C=C1Cl)Cl)OCC(=O)O,"InChI=1S/C8H6Cl2O3.C2H7N/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-3-2/h1-3H,4H2,(H,11,12);3H,1-2H3",IUQJDHJVPLLKFL-UHFFFAOYSA-N,C10H13Cl2NO3,266.12,265.0272487,,58.6,189,0,2,4,3,16,"greater than 191 °F (NTP, 1992)",,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"ETHANONE, 2-CHLORO-1-(2,4-DIMETHYLPHENYL)-",002623-45-2,75808,"2-chloro-1-(2,4-dimethylphenyl)ethanone",CC1=CC(=C(C=C1)C(=O)CCl)C,"InChI=1S/C10H11ClO/c1-7-3-4-9(8(2)5-7)10(12)6-11/h3-5H,6H2,1-2H3",SJMUGKXTDUSEOC-UHFFFAOYSA-N,C10H11ClO,182.64,182.0498427,3,17.1,167,0,0,1,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"BENZENE, 1,3,5-TRICHLORO-2,4,6-TRINITRO-",002631-68-7,17518,"1,3,5-trichloro-2,4,6-trinitrobenzene",C1(=C(C(=C(C(=C1Cl)[N+](=O)[O-])Cl)[N+](=O)[O-])Cl)[N+](=O)[O-],InChI=1S/C6Cl3N3O6/c7-1-4(10(13)14)2(8)6(12(17)18)3(9)5(1)11(15)16,LZMONXBJUOXABQ-UHFFFAOYSA-N,C6Cl3N3O6,316.4,314.885268,2.6,137,303,0,0,6,0,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
"1,2-BENZENEDIAMINE, N,N-DIMETHYL-",002836-03-5,76083,"2-N,2-N-dimethylbenzene-1,2-diamine",CN(C)C1=CC=CC=C1N,"InChI=1S/C8H12N2/c1-10(2)8-6-4-3-5-7(8)9/h3-6H,9H2,1-2H3",HJXIRCMNJLIHQR-UHFFFAOYSA-N,C8H12N2,136.19,136.1000484,1.4,29.3,101,0,1,2,1,10,,,0,1,1,1,0,1,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"BENZOYL CHLORIDE, 2,3-DICHLORO-",002905-60-4,17944,"2,3-dichlorobenzoyl chloride",C1=CC(=C(C(=C1)Cl)Cl)C(=O)Cl,InChI=1S/C7H3Cl3O/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,YBONBWJSFMTXLE-UHFFFAOYSA-N,C7H3Cl3O,209.5,207.924948,3.7,17.1,160,0,0,1,1,11,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, (4-NONYLPHENOXY)-",003115-49-9,18380,2-(4-nonylphenoxy)acetic acid,CCCCCCCCCC1=CC=C(C=C1)OCC(=O)O,"InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-15-10-12-16(13-11-15)20-14-17(18)19/h10-13H,2-9,14H2,1H3,(H,18,19)",NISAHDHKGPWBEM-UHFFFAOYSA-N,C17H26O3,278.4,278.1881947,6.1,46.5,245,0,1,3,11,20,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"Phenethylamine, p-methoxy-N-methyl-",004091-50-3,104735,2-(4-methoxyphenyl)-N-methylethanamine,CNCCC1=CC=C(C=C1)OC,"InChI=1S/C10H15NO/c1-11-8-7-9-3-5-10(12-2)6-4-9/h3-6,11H,7-8H2,1-2H3",JCMWSVNNSPUNER-UHFFFAOYSA-N,C10H15NO,165.23,165.1153641,1.7,21.3,108,0,1,2,4,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-METHOXY-2-(2-PROPENYLOXY)-",004125-43-3,77777,1-methoxy-2-prop-2-enoxybenzene,COC1=CC=CC=C1OCC=C,"InChI=1S/C10H12O2/c1-3-8-12-10-7-5-4-6-9(10)11-2/h3-7H,1,8H2,2H3",KWRBXILMRLLABD-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,2,18.5,134,0,0,2,4,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-BENZENEDISULFONIC ACID, 2,5-DIHYDROXY-",004444-23-9,71199,"2,5-dihydroxybenzene-1,4-disulfonic acid",C1=C(C(=CC(=C1S(=O)(=O)O)O)S(=O)(=O)O)O,"InChI=1S/C6H6O8S2/c7-3-1-5(15(9,10)11)4(8)2-6(3)16(12,13)14/h1-2,7-8H,(H,9,10,11)(H,12,13,14)",VSAZFRKEFQPOIS-UHFFFAOYSA-N,C6H6O8S2,270.2,269.9504095,-0.2,166,396,0,4,8,2,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"HYDRAZINECARBOXYLIC ACID, PHENYLMETHYL ESTER",005331-43-1,79242,benzyl N-aminocarbamate,C1=CC=C(C=C1)COC(=O)NN,"InChI=1S/C8H10N2O2/c9-10-8(11)12-6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)",RXUBZLMIGSAPEJ-UHFFFAOYSA-N,C8H10N2O2,166.18,166.0742276,0.9,64.4,144,0,2,3,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0
"BENZENEMETHANAMINE, 4-AMINO-N,N-DIMETHYL-",006406-74-2,308051,4-[(dimethylamino)methyl]aniline,CN(C)CC1=CC=C(C=C1)N,"InChI=1S/C9H14N2/c1-11(2)7-8-3-5-9(10)6-4-8/h3-6H,7,10H2,1-2H3",NNCCQALFJIMRKB-UHFFFAOYSA-N,C9H14N2,150.22,150.1156985,0.5,29.3,104,0,1,2,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BENZENEDICARBOXYLIC ACID, LEAD(2+) SALT (1:1)",006838-85-3,85322,lead(2+);phthalate,C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].[Pb+2],"InChI=1S/C8H6O4.Pb/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+2/p-2",YJOMWQQKPKLUBO-UHFFFAOYSA-L,C8H4O4Pb,371,371.98761,,80.3,166,0,0,4,0,13,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"BENZENE, 4-ISOCYANATO-1-METHYL-2-NITRO-",013471-69-7,73137,4-isocyanato-1-methyl-2-nitrobenzene,CC1=C(C=C(C=C1)N=C=O)[N+](=O)[O-],"InChI=1S/C8H6N2O3/c1-6-2-3-7(9-5-11)4-8(6)10(12)13/h2-4H,1H3",OIORBBLUSMONPW-UHFFFAOYSA-N,C8H6N2O3,178.14,178.0378421,3.2,75.3,242,0,0,4,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"PHENOL, 2-ISONONYL-4-METHYL-",028983-26-8,120111,4-methyl-2-(7-methyloctyl)phenol,CC1=CC(=C(C=C1)O)CCCCCCC(C)C,"InChI=1S/C16H26O/c1-13(2)8-6-4-5-7-9-15-12-14(3)10-11-16(15)17/h10-13,17H,4-9H2,1-3H3",ODLQBYYWVWMCQA-UHFFFAOYSA-N,C16H26O,234.38,234.1983654,6.2,20.2,188,0,1,1,7,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0
"BENZENEMETHANAMINE, 4-AMINO-N-METHYL-",038020-69-8,123471,4-(methylaminomethyl)aniline,CNCC1=CC=C(C=C1)N,"InChI=1S/C8H12N2/c1-10-6-7-2-4-8(9)5-3-7/h2-5,10H,6,9H2,1H3",FTAMTADBFJSWRE-UHFFFAOYSA-N,C8H12N2,136.19,136.1000484,0,38.1,85,0,2,2,2,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ACETAMIDE, 2-CHLORO-N-(2,4-DIMETHYLPHENYL)-",039106-10-0,170158,"2-chloro-N-(2,4-dimethylphenyl)acetamide",CC1=CC(=C(C=C1)NC(=O)CCl)C,"InChI=1S/C10H12ClNO/c1-7-3-4-9(8(2)5-7)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)",MZTGUDQVUJJYCK-UHFFFAOYSA-N,C10H12ClNO,197.66,197.0607417,2.1,29.1,184,0,1,1,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONYL CHLORIDE, 4-(ACETYLAMINO)-2-METHYL-",062374-67-8,112838,4-acetamido-2-methylbenzenesulfonyl chloride,CC1=C(C=CC(=C1)NC(=O)C)S(=O)(=O)Cl,"InChI=1S/C9H10ClNO3S/c1-6-5-8(11-7(2)12)3-4-9(6)15(10,13)14/h3-5H,1-2H3,(H,11,12)",CQMOYSYLLYARBD-UHFFFAOYSA-N,C9H10ClNO3S,247.7,247.006992,2.1,71.6,336,0,1,3,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BIS(DIMETHYLAMINOMETHYL)PHENOL,071074-89-0,3018067,"2,3-bis[(dimethylamino)methyl]phenol",CN(C)CC1=C(C(=CC=C1)O)CN(C)C,"InChI=1S/C12H20N2O/c1-13(2)8-10-6-5-7-12(15)11(10)9-14(3)4/h5-7,15H,8-9H2,1-4H3",HCKPQGBXPQNMKU-UHFFFAOYSA-N,C12H20N2O,208.3,208.1575633,1.2,26.7,182,0,1,3,4,15,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
O-AMINOPHENOL,000095-55-6,5801,2-aminophenol,C1=CC=C(C(=C1)N)O,"InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2",CDAWCLOXVUBKRW-UHFFFAOYSA-N,C6H7NO,109.13,109.0527638,0.6,46.3,74,0,2,2,0,8,168 °C (334 °F) - closed cup,"Sublimes at 307 °F at 11 mmHg (NTP, 1992)",0,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
P-BROMOTOLUENE,000106-38-7,7805,1-bromo-4-methylbenzene,CC1=CC=C(C=C1)Br,"InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3",ZBTMRBYMKUEVEU-UHFFFAOYSA-N,C7H7Br,171.03,169.97311,3.4,0,62,0,0,0,0,8,"185 °F (NTP, 1992)","363 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
M-CHLOROPHENOL,000108-43-0,7933,3-chlorophenol,C1=CC(=CC(=C1)Cl)O,"InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H",HORNXRXVQWOLPJ-UHFFFAOYSA-N,C6H5ClO,128.55,128.0028925,2.5,20.2,74,0,1,1,0,8,"greater than 233.6 °F (NTP, 1992)","417 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-METHOXY-5-NITROBENZENAMINE,000099-59-2,7447,2-methoxy-5-nitroaniline,COC1=C(C=C(C=C1)[N+](=O)[O-])N,"InChI=1S/C7H8N2O3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,8H2,1H3",NIPDVSLAMPAWTP-UHFFFAOYSA-N,C7H8N2O3,168.15,168.0534921,1.5,81.1,169,0,1,4,1,12,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ACETANILIDE,000103-84-4,904,N-phenylacetamide,CC(=O)NC1=CC=CC=C1,"InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)",FZERHIULMFGESH-UHFFFAOYSA-N,C8H9NO,135.16,135.0684139,1.2,29.1,116,0,1,1,1,10,"345 °F (NTP, 1992)","579 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
P-CYANOPHENOL,000767-00-0,13019,4-hydroxybenzonitrile,C1=CC(=CC=C1C#N)O,"InChI=1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H",CVNOWLNNPYYEOH-UHFFFAOYSA-N,C7H5NO,119.12,119.0371138,1.6,44,127,0,1,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-NITROBENZOIC ACID,000062-23-7,6108,4-nitrobenzoic acid,C1=CC(=CC=C1C(=O)O)[N+](=O)[O-],"InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)",OTLNPYWUJOZPPA-UHFFFAOYSA-N,C7H5NO4,167.12,167.0218576,1.9,83.1,190,0,1,4,1,12,"396 °F (NTP, 1992)","Sublimes (NTP, 1992)",0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
PHENOXYACETIC ACID,000122-59-8,19188,2-phenoxyacetic acid,C1=CC=C(C=C1)OCC(=O)O,"InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)",LCPDWSOZIOUXRV-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,1.3,46.5,127,0,1,3,3,11,,"545 °F at 760 mmHg (Decomposes) (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-NITROBENZALDEHYDE,000552-89-6,11101,2-nitrobenzaldehyde,C1=CC=C(C(=C1)C=O)[N+](=O)[O-],InChI=1S/C7H5NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,CMWKITSNTDAEDT-UHFFFAOYSA-N,C7H5NO3,151.12,151.026943,1.7,62.9,164,0,0,3,1,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N,N',N'-TETRAMETHYL-P-PHENYLENEDIAMINE",000100-22-1,7490,"1-N,1-N,4-N,4-N-tetramethylbenzene-1,4-diamine",CN(C)C1=CC=C(C=C1)N(C)C,"InChI=1S/C10H16N2/c1-11(2)9-5-7-10(8-6-9)12(3)4/h5-8H,1-4H3",CJAOGUFAAWZWNI-UHFFFAOYSA-N,C10H16N2,164.25,164.1313485,2.6,6.5,108,0,0,2,2,12,"greater than 235 °F (NTP, 1992)","500 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-METHYL-6-T-BUTYLANILINE,013117-94-7,83155,2-tert-butyl-6-methylaniline,CC1=C(C(=CC=C1)C(C)(C)C)N,"InChI=1S/C11H17N/c1-8-6-5-7-9(10(8)12)11(2,3)4/h5-7H,12H2,1-4H3",GWIUAENVORNODL-UHFFFAOYSA-N,C11H17N,163.26,163.1360995,3.3,26,146,0,1,1,1,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,4-DIMETHOXYBENZALDEHYDE",000120-14-9,8419,"3,4-dimethoxybenzaldehyde",COC1=C(C=C(C=C1)C=O)OC,"InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3",WJUFSDZVCOTFON-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.5,35.5,147,0,0,3,3,12,"greater than 230 °F (NTP, 1992)","538 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DOPAMINE HYDROCHLORIDE,000062-31-7,65340,"4-(2-aminoethyl)benzene-1,2-diol;hydrochloride",C1=CC(=C(C=C1CCN)O)O.Cl,"InChI=1S/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H",CTENFNNZBMHDDG-UHFFFAOYSA-N,C8H12ClNO2,189.64,189.0556563,,66.5,119,0,4,3,2,12,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
4-CYANOBENZALDEHYDE,000105-07-7,66042,4-formylbenzonitrile,C1=CC(=CC=C1C=O)C#N,"InChI=1S/C8H5NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H",WZWIQYMTQZCSKI-UHFFFAOYSA-N,C8H5NO,131.13,131.0371138,1.2,40.9,159,0,0,2,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BETA-BROMOPHENETOLE,000589-10-6,68526,2-bromoethoxybenzene,C1=CC=C(C=C1)OCCBr,"InChI=1S/C8H9BrO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2",JJFOBACUIRKUPN-UHFFFAOYSA-N,C8H9BrO,201.06,199.98368,2.6,9.2,79,0,0,1,3,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DIMETHYLBENZALDEHYDE",005779-94-2,22015,"2,5-dimethylbenzaldehyde",CC1=CC(=C(C=C1)C)C=O,"InChI=1S/C9H10O/c1-7-3-4-8(2)9(5-7)6-10/h3-6H,1-2H3",SMUVABOERCFKRW-UHFFFAOYSA-N,C9H10O,134.17,134.0731649,2.1,17.1,120,0,0,1,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,5-TRIMETHOXYBENZENE",000621-23-8,69301,"1,3,5-trimethoxybenzene",COC1=CC(=CC(=C1)OC)OC,"InChI=1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3",LKUDPHPHKOZXCD-UHFFFAOYSA-N,C9H12O3,168.19,168.0786442,2,27.7,91,0,0,3,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,4-DICHLOROBENZOIC ACID",000050-84-0,5787,"2,4-dichlorobenzoic acid",C1=CC(=C(C=C1Cl)Cl)C(=O)O,"InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)",ATCRIUVQKHMXSH-UHFFFAOYSA-N,C7H4Cl2O2,191.01,189.9588348,2.8,37.3,161,0,1,2,1,11,,"Sublimes (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-(2,4-DICHLOROPHENOXY)BUTYRIC ACID",000094-82-6,1489,"4-(2,4-dichlorophenoxy)butanoic acid",C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O,"InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)",YIVXMZJTEQBPQO-UHFFFAOYSA-N,C10H10Cl2O3,249.09,248.0006996,3.5,46.5,211,0,1,3,5,15,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4,5,6-TETRACHLORO-M-XYLENE",000877-09-8,70139,"1,2,3,5-tetrachloro-4,6-dimethylbenzene",CC1=C(C(=C(C(=C1Cl)Cl)Cl)C)Cl,InChI=1S/C8H6Cl4/c1-3-5(9)4(2)7(11)8(12)6(3)10/h1-2H3,NTUBJKOTTSFEEV-UHFFFAOYSA-N,C8H6Cl4,243.9,243.919411,5.2,0,145,0,0,0,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4'-AMINOACETOPHENONE,000099-92-3,7468,1-(4-aminophenyl)ethanone,CC(=O)C1=CC=C(C=C1)N,"InChI=1S/C8H9NO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H3",GPRYKVSEZCQIHD-UHFFFAOYSA-N,C8H9NO,135.16,135.0684139,0.8,43.1,125,0,1,2,1,10,,294 °C; 195 °C at 15 mm Hg,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GALLAMINE TRIETHIODIDE,000065-29-2,6172,"2-[2,3-bis[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl-triethylazanium triiodide",CC[N+](CC)(CC)CCOC1=C(C(=CC=C1)OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC.[I-].[I-].[I-],"InChI=1S/C30H60N3O3.3HI/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9;;;/h19-21H,10-18,22-27H2,1-9H3;3*1H/q+3;;;/p-3",REEUVFCVXKWOFE-UHFFFAOYSA-K,C30H60I3N3O3,891.5,891.1769,,27.7,489,0,0,6,21,39,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-HEXYLRESORCINOL,000136-77-6,3610,"4-hexylbenzene-1,3-diol",CCCCCCC1=C(C=C(C=C1)O)O,"InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3",WFJIVOKAWHGMBH-UHFFFAOYSA-N,C12H18O2,194.27,194.1306798,3.5,40.5,147,0,2,2,5,14,,"631 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DB METHYL ESTER",018625-12-2,1490,"methyl 4-(2,4-dichlorophenoxy)butanoate",COC(=O)CCCOC1=C(C=C(C=C1)Cl)Cl,"InChI=1S/C11H12Cl2O3/c1-15-11(14)3-2-6-16-10-5-4-8(12)7-9(10)13/h4-5,7H,2-3,6H2,1H3",NKXSNMCGZZWMMW-UHFFFAOYSA-N,C11H12Cl2O3,263.11,262.0163496,3.9,35.5,223,0,0,3,6,16,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
SILVEX METHYL ESTER,004841-20-7,92213,"methyl 2-(2,4,5-trichlorophenoxy)propanoate",CC(C(=O)OC)OC1=CC(=C(C=C1Cl)Cl)Cl,"InChI=1S/C10H9Cl3O3/c1-5(10(14)15-2)16-9-4-7(12)6(11)3-8(9)13/h3-5H,1-2H3",YTAXYXOJOYIQQO-UHFFFAOYSA-N,C10H9Cl3O3,283.5,281.961727,4.1,35.5,249,0,0,3,4,16,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL",000440-60-8,9923,"(2,3,4,5,6-pentafluorophenyl)methanol",C(C1=C(C(=C(C(=C1F)F)F)F)F)O,"InChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2",PGJYYCIOYBZTPU-UHFFFAOYSA-N,C7H3F5O,198.09,198.0104055,1.5,20.2,162,0,1,6,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-DIMETHYL-6-NITROANILINE",059146-96-2,597166,"2,3-dimethyl-6-nitroaniline",CC1=C(C(=C(C=C1)[N+](=O)[O-])N)C,"InChI=1S/C8H10N2O2/c1-5-3-4-7(10(11)12)8(9)6(5)2/h3-4H,9H2,1-2H3",YEFYPFWBLCARLC-UHFFFAOYSA-N,C8H10N2O2,166.18,166.0742276,2.4,71.8,178,0,1,3,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CHLOROPHENYL METHYL SULFONE,000098-57-7,7395,1-chloro-4-methylsulfonylbenzene,CS(=O)(=O)C1=CC=C(C=C1)Cl,"InChI=1S/C7H7ClO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3",LMCOQDVJBWVNNI-UHFFFAOYSA-N,C7H7ClO2S,190.65,189.9855283,1.1,42.5,209,0,0,2,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-NITRO-4-CARBOXYPHENYLSULFENYL CHLORIDE,019961-56-9,152268,4-chlorosulfanyl-3-nitrobenzoic acid,C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])SCl,"InChI=1S/C7H4ClNO4S/c8-14-6-2-1-4(7(10)11)3-5(6)9(12)13/h1-3H,(H,10,11)",UUVOHMQWLRUWAU-UHFFFAOYSA-N,C7H4ClNO4S,233.63,232.9549565,2.7,108,244,0,1,5,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
L-PHENYLALANINE METHYL ESTER HYDROCHLORIDE,007524-50-7,75736,methyl (2S)-2-amino-3-phenylpropanoate;hydrochloride,COC(=O)[C@H](CC1=CC=CC=C1)N.Cl,"InChI=1S/C10H13NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-;/m0./s1",SWVMLNPDTIFDDY-FVGYRXGTSA-N,C10H14ClNO2,215.67,215.0713064,,52.3,164,0,2,3,4,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMOTHIOANISOLE,000104-95-0,66037,1-bromo-4-methylsulfanylbenzene,CSC1=CC=C(C=C1)Br,"InChI=1S/C7H7BrS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3",YEUYZNNBXLMFCW-UHFFFAOYSA-N,C7H7BrS,203.1,201.94518,3.1,25.3,77,0,0,1,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2-DIMETHYL-3-PHENYL-1-PROPANOL",013351-61-6,83367,"2,2-dimethyl-3-phenylpropan-1-ol",CC(C)(CC1=CC=CC=C1)CO,"InChI=1S/C11H16O/c1-11(2,9-12)8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3",VNGAHMPMLRTSLF-UHFFFAOYSA-N,C11H16O,164.24,164.1201151,2.7,20.2,123,0,1,1,3,12,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
4-BUTOXYPHENOL,000122-94-1,31233,4-butoxyphenol,CCCCOC1=CC=C(C=C1)O,"InChI=1S/C10H14O2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7,11H,2-3,8H2,1H3",MBGGFXOXUIDRJD-UHFFFAOYSA-N,C10H14O2,166.22,166.0993797,2.9,29.5,106,0,1,2,4,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,5-DIETHOXYANILINE",000094-85-9,66756,"2,5-diethoxyaniline",CCOC1=CC(=C(C=C1)OCC)N,"InChI=1S/C10H15NO2/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h5-7H,3-4,11H2,1-2H3",XPKFTIYOZUJAGA-UHFFFAOYSA-N,C10H15NO2,181.23,181.1102787,1.9,44.5,141,0,1,3,4,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BUTYL BENZOATE,000136-60-7,8698,butyl benzoate,CCCCOC(=O)C1=CC=CC=C1,"InChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3",XSIFPSYPOVKYCO-UHFFFAOYSA-N,C11H14O2,178.23,178.0993797,3.8,26.3,148,0,0,2,5,13,225 °F (107 °C) (OPEN CUP),250 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
METANILIC ACID,000121-47-1,8474,3-aminobenzenesulfonic acid,C1=CC(=CC(=C1)S(=O)(=O)O)N,"InChI=1S/C6H7NO3S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)",ZAJAQTYSTDTMCU-UHFFFAOYSA-N,C6H7NO3S,173.19,173.0146643,-0.2,88.8,218,0,2,4,1,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-CYANOACETANILIDE,000621-03-4,69296,2-cyano-N-phenylacetamide,C1=CC=C(C=C1)NC(=O)CC#N,"InChI=1S/C9H8N2O/c10-7-6-9(12)11-8-4-2-1-3-5-8/h1-5H,6H2,(H,11,12)",XCTQPMCULSZKLT-UHFFFAOYSA-N,C9H8N2O,160.17,160.0636629,1.6,52.9,198,0,1,2,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-TRIFLUOROMETHYLBENZALDEHYDE,000447-61-0,123067,2-(trifluoromethyl)benzaldehyde,C1=CC=C(C(=C1)C=O)C(F)(F)F,"InChI=1S/C8H5F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-5H",ZDVRPKUWYQVVDX-UHFFFAOYSA-N,C8H5F3O,174.12,174.0292493,2.6,17.1,164,0,0,4,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BROMO-4-FLUOROBENZALDEHYDE,077771-02-9,173604,3-bromo-4-fluorobenzaldehyde,C1=CC(=C(C=C1C=O)Br)F,InChI=1S/C7H4BrFO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H,FAHZIKXYYRGSHF-UHFFFAOYSA-N,C7H4BrFO,203.01,201.94296,2.2,17.1,129,0,0,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DIIODOSALICYLIC ACID",000133-91-5,8631,"2-hydroxy-3,5-diiodobenzoic acid",C1=C(C=C(C(=C1C(=O)O)O)I)I,"InChI=1S/C7H4I2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)",DHZVWQPHNWDCFS-UHFFFAOYSA-N,C7H4I2O3,389.91,389.82499,4.6,57.5,185,0,2,3,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-CHLORO-3,5-DIMETHYLPHENOL",000088-04-0,2723,"4-chloro-3,5-dimethylphenol",CC1=CC(=CC(=C1Cl)C)O,"InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3",OSDLLIBGSJNGJE-UHFFFAOYSA-N,C8H9ClO,156.61,156.0341926,2,20.2,104,0,1,1,0,10,,246 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
O-CHLOROPHENOXYACETIC ACID,000614-61-9,11969,2-(2-chlorophenoxy)acetic acid,C1=CC=C(C(=C1)OCC(=O)O)Cl,"InChI=1S/C8H7ClO3/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2,(H,10,11)",OPQYFNRLWBWCST-UHFFFAOYSA-N,C8H7ClO3,186.59,186.0083718,1.9,46.5,160,0,1,3,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HYDROQUINONE SULFONIC ACID, POTASSIUM SALT",021799-87-1,23672329,"potassium 2,5-dihydroxybenzenesulfonate",C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.[K+],"InChI=1S/C6H6O5S.K/c7-4-1-2-5(8)6(3-4)12(9,10)11;/h1-3,7-8H,(H,9,10,11);/q;+1/p-1",VKDSBABHIXQFKH-UHFFFAOYSA-M,C6H5KO5S,228.27,227.9494759,,106,246,0,2,5,1,13,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
DI-SEC-BUTYL PHENYLPHOSPHONATE,002783-48-4,102878,di(butan-2-yloxy)phosphorylbenzene,CCC(C)OP(=O)(C1=CC=CC=C1)OC(C)CC,"InChI=1S/C14H23O3P/c1-5-12(3)16-18(15,17-13(4)6-2)14-10-8-7-9-11-14/h7-13H,5-6H2,1-4H3",LVHRUHVOYXWOMW-UHFFFAOYSA-N,C14H23O3P,270.3,270.1384816,3.7,35.5,258,0,0,3,7,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-BROMO-3-NITROBENZENE,000585-79-5,11457,1-bromo-3-nitrobenzene,C1=CC(=CC(=C1)Br)[N+](=O)[O-],InChI=1S/C6H4BrNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,FWIROFMBWVMWLB-UHFFFAOYSA-N,C6H4BrNO2,202.01,200.94254,2.6,45.8,134,0,0,2,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
TRIETHYLENE GLYCOL MONOBENZYL ETHER,055489-58-2,2737322,2-[2-(2-phenylmethoxyethoxy)ethoxy]ethanol,C1=CC=C(C=C1)COCCOCCOCCO,"InChI=1S/C13H20O4/c14-6-7-15-8-9-16-10-11-17-12-13-4-2-1-3-5-13/h1-5,14H,6-12H2",KVPHZILZNXDCNH-UHFFFAOYSA-N,C13H20O4,240.29,240.1361591,0.6,47.9,157,0,1,4,10,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-METHYL-1,3-BENZENEDIOL",000504-15-4,10436,"5-methylbenzene-1,3-diol",CC1=CC(=CC(=C1)O)O,"InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3",OIPPWFOQEKKFEE-UHFFFAOYSA-N,C7H8O2,124.14,124.0524295,1.6,40.5,82,0,2,2,0,9,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-(DIMETHYLAMINO)-",000610-16-2,69118,2-(dimethylamino)benzoic acid,CN(C)C1=CC=CC=C1C(=O)O,"InChI=1S/C9H11NO2/c1-10(2)8-6-4-3-5-7(8)9(11)12/h3-6H,1-2H3,(H,11,12)",DVVXXHVHGGWWPE-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,1.7,40.5,168,0,1,3,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BENZENEDIMETHANOL",000612-14-6,69153,[2-(hydroxymethyl)phenyl]methanol,C1=CC=C(C(=C1)CO)CO,"InChI=1S/C8H10O2/c9-5-7-3-1-2-4-8(7)6-10/h1-4,9-10H,5-6H2",XMUZQOKACOLCSS-UHFFFAOYSA-N,C8H10O2,138.16,138.0680796,0.2,40.5,81,0,2,2,2,10,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYBENZOIC ACID",001421-49-4,15007,"3,5-ditert-butyl-4-hydroxybenzoic acid",CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)O,"InChI=1S/C15H22O3/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6/h7-8,16H,1-6H3,(H,17,18)",YEXOWHQZWLCHHD-UHFFFAOYSA-N,C15H22O3,250.33,250.1568946,4.4,57.5,285,0,2,3,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ANTIPAIN,037691-11-5,37817,(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid,CC(C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O,"InChI=1S/C27H44N10O6/c1-16(2)21(23(40)34-18(15-38)10-6-12-32-25(28)29)37-22(39)19(11-7-13-33-26(30)31)35-27(43)36-20(24(41)42)14-17-8-4-3-5-9-17/h3-5,8-9,15-16,18-21H,6-7,10-14H2,1-2H3,(H,34,40)(H,37,39)(H,41,42)(H4,28,29,32)(H4,30,31,33)(H2,35,36,43)/t18-,19-,20-,21-/m0/s1",SDNYTAYICBFYFH-TUFLPTIASA-N,C27H44N10O6,604.7,604.3445292,-2.7,283,975,0,9,8,19,43,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-DICHLOROBENZENE-D4",002199-69-1,519913,"1,2-dichloro-3,4,5,6-tetradeuteriobenzene",[2H]C1=C(C(=C(C(=C1[2H])Cl)Cl)[2H])[2H],"InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H/i1D,2D,3D,4D",RFFLAFLAYFXFSW-RHQRLBAQSA-N,C6H4Cl2,151.02,149.9941125,3.4,0,62,0,0,0,0,8,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
Trans-2-(3-(4-Tert-Butylphenyl)-2-Methyl-2-Propenylidene)Malonoitrile,300364-84-5,6382826,2-[(E)-3-(4-tert-butylphenyl)-2-methylprop-2-enylidene]propanedinitrile,C/C(=C\C1=CC=C(C=C1)C(C)(C)C)/C=C(C#N)C#N,"InChI=1S/C17H18N2/c1-13(10-15(11-18)12-19)9-14-5-7-16(8-6-14)17(2,3)4/h5-10H,1-4H3/b13-9+",OIASAVWSBWJWBR-UKTHLTGXSA-N,C17H18N2,250.34,250.1469986,4.9,47.6,444,0,0,2,3,19,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-CYANOPHENYLACETONITRILE,003759-28-2,77368,2-(cyanomethyl)benzonitrile,C1=CC=C(C(=C1)CC#N)C#N,"InChI=1S/C9H6N2/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5H2",GKHSEDFDYXZGCG-UHFFFAOYSA-N,C9H6N2,142.16,142.0530982,1.5,47.6,214,0,0,2,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-FLUORO-5-NITROBENZONITRILE,017417-09-3,519417,2-fluoro-5-nitrobenzonitrile,C1=CC(=C(C=C1[N+](=O)[O-])C#N)F,InChI=1S/C7H3FN2O2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3H,YLACBMHBZVYOAP-UHFFFAOYSA-N,C7H3FN2O2,166.11,166.0178555,1.6,69.6,229,0,0,4,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMO-5-HYDROXYBENZALDEHYDE,002973-80-0,387179,2-bromo-5-hydroxybenzaldehyde,C1=CC(=C(C=C1O)C=O)Br,"InChI=1S/C7H5BrO2/c8-7-2-1-6(10)3-5(7)4-9/h1-4,10H",SCRQAWQJSSKCFN-UHFFFAOYSA-N,C7H5BrO2,201.02,199.94729,1.7,37.3,127,0,1,2,1,10,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-HEPTYLOXYPHENYL ISOCYANATE,055792-37-5,2733384,1-heptoxy-4-isocyanatobenzene,CCCCCCCOC1=CC=C(C=C1)N=C=O,"InChI=1S/C14H19NO2/c1-2-3-4-5-6-11-17-14-9-7-13(8-10-14)15-12-16/h7-10H,2-6,11H2,1H3",KJMZSDMQWFWLCX-UHFFFAOYSA-N,C14H19NO2,233.31,233.1415788,5.7,38.7,228,0,0,3,8,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-HYDROXY-1,4-BENZENEDICARBOXYLIC ACID",000636-94-2,97257,2-hydroxyterephthalic acid,C1=CC(=C(C=C1C(=O)O)O)C(=O)O,"InChI=1S/C8H6O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)",CDOWNLMZVKJRSC-UHFFFAOYSA-N,C8H6O5,182.13,182.0215233,1.5,94.8,225,0,3,5,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHYL 2,3-DIHYDROXYBENZOATE",002411-83-8,75484,"methyl 2,3-dihydroxybenzoate",COC(=O)C1=C(C(=CC=C1)O)O,"InChI=1S/C8H8O4/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,9-10H,1H3",DOAJWTSNTNAEIY-UHFFFAOYSA-N,C8H8O4,168.15,168.0422587,1.5,66.8,168,0,2,4,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-NITRO-L-TYROSINE,000621-44-3,65124,(2S)-2-amino-3-(4-hydroxy-3-nitrophenyl)propanoic acid,C1=CC(=C(C=C1C[C@@H](C(=O)O)N)[N+](=O)[O-])O,"InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1",FBTSQILOGYXGMD-LURJTMIESA-N,C9H10N2O5,226.19,226.0589714,-2,129,278,0,3,6,3,16,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(2-PHENYLETHYL)ACETAMIDE,000877-95-2,70143,N-(2-phenylethyl)acetamide,CC(=O)NCCC1=CC=CC=C1,"InChI=1S/C10H13NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12)",MODKMHXGCGKTLE-UHFFFAOYSA-N,C10H13NO,163.22,163.099714,1.5,29.1,139,0,1,1,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
2-AMINO-5-BROMOBENZONITRILE,039263-32-6,429740,2-amino-5-bromobenzonitrile,C1=CC(=C(C=C1Br)C#N)N,"InChI=1S/C7H5BrN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2",OATYCBHROMXWJO-UHFFFAOYSA-N,C7H5BrN2,197.03,195.96361,2.2,49.8,160,0,1,2,0,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
3-BROMOPHENYLBORONIC ACID,089598-96-9,2734318,(3-bromophenyl)boronic acid,B(C1=CC(=CC=C1)Br)(O)O,"InChI=1S/C6H6BBrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H",AFSSVCNPDKKSRR-UHFFFAOYSA-N,C6H6BBrO2,200.83,199.96442,,40.5,110,0,2,2,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DIBROMOPHENYLBORONIC ACID",117695-55-3,2734689,"(3,5-dibromophenyl)boronic acid",B(C1=CC(=CC(=C1)Br)Br)(O)O,"InChI=1S/C6H5BBr2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H",WQBLCGDZYFKINX-UHFFFAOYSA-N,C6H5BBr2O2,279.72,279.87289,,40.5,124,0,2,2,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-TERT-BUTYLPHENYLBORONIC ACID,123324-71-0,2734320,(4-tert-butylphenyl)boronic acid,B(C1=CC=C(C=C1)C(C)(C)C)(O)O,"InChI=1S/C10H15BO2/c1-10(2,3)8-4-6-9(7-5-8)11(12)13/h4-7,12-13H,1-3H3",MNJYZNVROSZZQC-UHFFFAOYSA-N,C10H15BO2,178.04,178.1165099,,40.5,155,0,2,2,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-(3,4-DIHYDROXYPHENYL)ETHANONE",001197-09-7,14530,"1-(3,4-dihydroxyphenyl)ethanone",CC(=O)C1=CC(=C(C=C1)O)O,"InChI=1S/C8H8O3/c1-5(9)6-2-3-7(10)8(11)4-6/h2-4,10-11H,1H3",UCQUAMAQHHEXGD-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,1.5,57.5,155,0,2,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-DIAMINO-3,5-DIMETHYLBENZENE",003171-46-8,3613321,"3,5-dimethylbenzene-1,2-diamine",CC1=CC(=C(C(=C1)N)N)C,"InChI=1S/C8H12N2/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,9-10H2,1-2H3",DMEPVFSJYHJGCD-UHFFFAOYSA-N,C8H12N2,136.19,136.1000484,1.3,52,114,0,2,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-DIHYDROXYBENZENEACETALDEHYDE",005707-55-1,119219,"2-(3,4-dihydroxyphenyl)acetaldehyde",C1=CC(=C(C=C1CC=O)O)O,"InChI=1S/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2",IADQVXRMSNIUEL-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,0.4,57.5,135,0,2,3,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-BROMO-1,3-DIISOPROPYLBENZENE",057190-17-7,12140915,"2-bromo-1,3-di(propan-2-yl)benzene",CC(C)C1=C(C(=CC=C1)C(C)C)Br,"InChI=1S/C12H17Br/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,1-4H3",QEOQKWIURDCGIJ-UHFFFAOYSA-N,C12H17Br,241.17,240.05136,4.8,0,135,0,0,0,2,13,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,5-DICHLORO-O-PHENYLENEDIAMINE",005348-42-5,79297,"4,5-dichlorobenzene-1,2-diamine",C1=C(C(=CC(=C1Cl)Cl)N)N,"InChI=1S/C6H6Cl2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2",IWFHBRFJOHTIPU-UHFFFAOYSA-N,C6H6Cl2N2,177.03,175.9908036,2,52,106,0,2,2,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYL 3-HYDROXYBENZOATE,007781-98-8,24522,ethyl 3-hydroxybenzoate,CCOC(=O)C1=CC(=CC=C1)O,"InChI=1S/C9H10O3/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6,10H,2H2,1H3",MWSMNBYIEBRXAL-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,2.2,46.5,156,0,1,3,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(3-METHOXY-3-OXOPROPYL)BENZOIC ACID,033779-03-2,11790422,2-(3-methoxy-3-oxopropyl)benzoic acid,COC(=O)CCC1=CC=CC=C1C(=O)O,"InChI=1S/C11H12O4/c1-15-10(12)7-6-8-4-2-3-5-9(8)11(13)14/h2-5H,6-7H2,1H3,(H,13,14)",MNTPADVVQJCTIF-UHFFFAOYSA-N,C11H12O4,208.21,208.0735589,1.5,63.6,237,0,1,4,5,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CHLORO-4-FLUOROBENZYL ALCOHOL,208186-84-9,4982711,(2-chloro-4-fluorophenyl)methanol,C1=CC(=C(C=C1F)Cl)CO,"InChI=1S/C7H6ClFO/c8-7-3-6(9)2-1-5(7)4-10/h1-3,10H,4H2",ZUHMDLLAHZUDRE-UHFFFAOYSA-N,C7H6ClFO,160.57,160.0091207,2,20.2,110,0,1,2,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-BIS(CHLOROMETHYL)TETRAFLUOROBENZENE",131803-37-7,2756724,"1,4-bis(chloromethyl)-2,3,5,6-tetrafluorobenzene",C(C1=C(C(=C(C(=C1F)F)CCl)F)F)Cl,InChI=1S/C8H4Cl2F4/c9-1-3-5(11)7(13)4(2-10)8(14)6(3)12/h1-2H2,WEUAASLFNKTIIM-UHFFFAOYSA-N,C8H4Cl2F4,247.01,245.9626182,3.1,0,156,0,0,4,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMO-4-TERT-BUTYLANILINE,103273-01-4,238591,2-bromo-4-tert-butylaniline,CC(C)(C)C1=CC(=C(C=C1)N)Br,"InChI=1S/C10H14BrN/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6H,12H2,1-3H3",OLKYFBNIFKQRIZ-UHFFFAOYSA-N,C10H14BrN,228.13,227.03096,3.6,26,150,0,1,1,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINO-3-METHYLBENZONITRILE,069797-49-5,10855494,2-amino-3-methylbenzonitrile,CC1=C(C(=CC=C1)C#N)N,"InChI=1S/C8H8N2/c1-6-3-2-4-7(5-9)8(6)10/h2-4H,10H2,1H3",PQXGRUUJIFRFGC-UHFFFAOYSA-N,C8H8N2,132.16,132.0687483,1.9,49.8,156,0,1,2,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TERT-BUTYL 3-FORMYLBENZYLCARBAMATE,170853-04-0,2794834,tert-butyl N-[(3-formylphenyl)methyl]carbamate,CC(C)(C)OC(=O)NCC1=CC(=CC=C1)C=O,"InChI=1S/C13H17NO3/c1-13(2,3)17-12(16)14-8-10-5-4-6-11(7-10)9-15/h4-7,9H,8H2,1-3H3,(H,14,16)",JORXNWZTJLYRQA-UHFFFAOYSA-N,C13H17NO3,235.28,235.1208434,1.9,55.4,270,0,1,3,5,17,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TERT-BUTYL (3-AMINOPHENYL)CARBAMATE,068621-88-5,12877220,tert-butyl N-(3-aminophenyl)carbamate,CC(C)(C)OC(=O)NC1=CC=CC(=C1)N,"InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h4-7H,12H2,1-3H3,(H,13,14)",IEUIEMIRUXSXCL-UHFFFAOYSA-N,C11H16N2O2,208.26,208.1211778,1.3,64.4,223,0,2,3,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
4-FLUORO-3-NITROBENZALDEHYDE,042564-51-2,598129,4-fluoro-3-nitrobenzaldehyde,C1=CC(=C(C=C1C=O)[N+](=O)[O-])F,InChI=1S/C7H4FNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H,ILKWFRCNNILIJW-UHFFFAOYSA-N,C7H4FNO3,169.11,169.0175212,1.4,62.9,192,0,0,4,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-DIHYDROXYBENZENE-1,4-DICARBALDEHYDE",148063-59-6,15527723,"2,3-dihydroxyterephthalaldehyde",C1=CC(=C(C(=C1C=O)O)O)C=O,"InChI=1S/C8H6O4/c9-3-5-1-2-6(4-10)8(12)7(5)11/h1-4,11-12H",RDXRJTTYBZXJNE-UHFFFAOYSA-N,C8H6O4,166.13,166.0266087,1.2,74.6,160,0,2,4,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, 3,4,5-TRIMETHOXY-",000086-81-7,6858,"3,4,5-trimethoxybenzaldehyde",COC1=CC(=CC(=C1OC)OC)C=O,"InChI=1S/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H3",OPHQOIGEOHXOGX-UHFFFAOYSA-N,C10H12O4,196.2,196.0735589,0.9,44.8,169,0,0,4,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 4-CHLORO-2,6-DINITRO-",000088-87-9,6952,"4-chloro-2,6-dinitrophenol",C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])Cl,"InChI=1S/C6H3ClN2O5/c7-3-1-4(8(11)12)6(10)5(2-3)9(13)14/h1-2,10H",KESYALTWUAFAAC-UHFFFAOYSA-N,C6H3ClN2O5,218.55,217.9730489,1.7,112,226,0,1,5,0,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 4-METHOXY-3-NITRO-",000089-41-8,66640,4-methoxy-3-nitrobenzoic acid,COC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-],"InChI=1S/C8H7NO5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)",ANXBDAFDZSXOPQ-UHFFFAOYSA-N,C8H7NO5,197.14,197.0324223,1.5,92.4,236,0,1,5,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 4-CHLORO-1-METHYL-2-NITRO-",000089-59-8,6975,4-chloro-1-methyl-2-nitrobenzene,CC1=C(C=C(C=C1)Cl)[N+](=O)[O-],"InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3",SQFLFRQWPBEDHM-UHFFFAOYSA-N,C7H6ClNO2,171.58,171.0087061,3.1,45.8,157,0,0,2,0,11,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
"BENZENE, 1-METHOXY-4-METHYL-2-NITRO-",000119-10-8,67058,1-methoxy-4-methyl-2-nitrobenzene,CC1=CC(=C(C=C1)OC)[N+](=O)[O-],"InChI=1S/C8H9NO3/c1-6-3-4-8(12-2)7(5-6)9(10)11/h3-5H,1-2H3",LGNMURXRPLMVJI-UHFFFAOYSA-N,C8H9NO3,167.16,167.0582431,2.1,55.1,166,0,0,3,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEMETHANOL, .ALPHA.-ETHYNYL-.ALPHA.-METHYL-",000127-66-2,92098,2-phenylbut-3-yn-2-ol,CC(C#C)(C1=CC=CC=C1)O,"InChI=1S/C10H10O/c1-3-10(2,11)9-7-5-4-6-8-9/h1,4-8,11H,2H3",KSLSOBUAIFEGLT-UHFFFAOYSA-N,C10H10O,146.19,146.0731649,1.5,20.2,171,0,1,1,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 2-FLUORO-4-METHYL-1-NITRO-",000446-34-4,67966,2-fluoro-4-methyl-1-nitrobenzene,CC1=CC(=C(C=C1)[N+](=O)[O-])F,"InChI=1S/C7H6FNO2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3",WZMOWQCNPFDWPA-UHFFFAOYSA-N,C7H6FNO2,155.13,155.0382566,2.2,45.8,157,0,0,3,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-FLUORO-2-METHYL-4-NITRO-",000455-88-9,68001,1-fluoro-2-methyl-4-nitrobenzene,CC1=C(C=CC(=C1)[N+](=O)[O-])F,"InChI=1S/C7H6FNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3",XUCYJGMIICONES-UHFFFAOYSA-N,C7H6FNO2,155.13,155.0382566,2.8,45.8,157,0,0,3,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETONITRILE, 4-FLUORO-",000459-22-3,68016,2-(4-fluorophenyl)acetonitrile,C1=CC(=CC=C1CC#N)F,"InChI=1S/C8H6FN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2",JHQBLYITVCBGTO-UHFFFAOYSA-N,C8H6FN,135.14,135.0484274,1.9,23.8,139,0,0,2,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZAMIDE, 2-METHYL-",000527-85-5,10704,2-methylbenzamide,CC1=CC=CC=C1C(=O)N,"InChI=1S/C8H9NO/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H2,9,10)",XXUNIGZDNWWYED-UHFFFAOYSA-N,C8H9NO,135.16,135.0684139,0.8,43.1,133,0,1,1,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEMETHANOL, 4-(1-METHYLETHYL)-",000536-60-7,325,(4-propan-2-ylphenyl)methanol,CC(C)C1=CC=C(C=C1)CO,"InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3",OIGWAXDAPKFNCQ-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,2.3,20.2,101,0,1,1,2,11,,135.00 to 136.00 °C. @ 26.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETAMIDE, N-(2-ETHOXYPHENYL)-",000581-08-8,11383,N-(2-ethoxyphenyl)acetamide,CCOC1=CC=CC=C1NC(=O)C,"InChI=1S/C10H13NO2/c1-3-13-10-7-5-4-6-9(10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)",SQRTWLGWCOJOTO-UHFFFAOYSA-N,C10H13NO2,179.22,179.0946287,1.5,38.3,170,0,1,2,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, (3,4-dichlorophenoxy)-",000588-22-7,11495,"2-(3,4-dichlorophenoxy)acetic acid",C1=CC(=C(C=C1OCC(=O)O)Cl)Cl,"InChI=1S/C8H6Cl2O3/c9-6-2-1-5(3-7(6)10)13-4-8(11)12/h1-3H,4H2,(H,11,12)",SNYRXHULAWEECU-UHFFFAOYSA-N,C8H6Cl2O3,221.03,219.9693994,2.8,46.5,186,0,1,3,3,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"PHENOL, 2-CHLORO-6-NITRO-",000603-86-1,11784,2-chloro-6-nitrophenol,C1=CC(=C(C(=C1)Cl)O)[N+](=O)[O-],"InChI=1S/C6H4ClNO3/c7-4-2-1-3-5(6(4)9)8(10)11/h1-3,9H",ICCYFVWQNFMENX-UHFFFAOYSA-N,C6H4ClNO3,173.55,172.9879707,2.6,66.1,158,0,1,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2,4-BIS(1,1-DIMETHYLETHYL)-6-METHYL-",000616-55-7,69224,"2,4-ditert-butyl-6-methylphenol",CC1=CC(=CC(=C1O)C(C)(C)C)C(C)(C)C,"InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)9-12(13(10)16)15(5,6)7/h8-9,16H,1-7H3",ZZZRZBIPCKQDQR-UHFFFAOYSA-N,C15H24O,220.35,220.1827154,5.3,20.2,231,0,1,1,2,16,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANAMIDE, N-PHENYL-",000620-71-3,12107,N-phenylpropanamide,CCC(=O)NC1=CC=CC=C1,"InChI=1S/C9H11NO/c1-2-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)",ZTHRQJQJODGZHV-UHFFFAOYSA-N,C9H11NO,149.19,149.084064,1.6,29.1,128,0,1,1,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1-CHLORO-4-NITRO-2-(TRIFLUOROMETHYL)-",000777-37-7,61213,1-chloro-4-nitro-2-(trifluoromethyl)benzene,C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)Cl,"InChI=1S/C7H3ClF3NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H",HQROXDLWVGFPDE-UHFFFAOYSA-N,C7H3ClF3NO2,225.55,224.9804405,4,45.8,228,0,0,5,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(2,5-DIMETHOXYPHENYL)-",001201-38-3,70991,"1-(2,5-dimethoxyphenyl)ethanone",CC(=O)C1=C(C=CC(=C1)OC)OC,"InChI=1S/C10H12O3/c1-7(11)9-6-8(12-2)4-5-10(9)13-3/h4-6H,1-3H3",FAXUIYJKGGUCBO-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,1.8,35.5,179,0,0,3,3,13,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONAMIDE, 4-HYDROXY-",001576-43-8,74093,4-hydroxybenzenesulfonamide,C1=CC(=CC=C1O)S(=O)(=O)N,"InChI=1S/C6H7NO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,8H,(H2,7,9,10)",DIRCLGLKRZLKHG-UHFFFAOYSA-N,C6H7NO3S,173.19,173.0146643,0.1,88.8,210,0,2,4,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETIC ACID, 4-BROMO-",001878-68-8,74654,2-(4-bromophenyl)acetic acid,C1=CC(=CC=C1CC(=O)O)Br,"InChI=1S/C8H7BrO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)",QOWSWEBLNVACCL-UHFFFAOYSA-N,C8H7BrO2,215.04,213.96294,2.3,37.3,139,0,1,2,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-(2,4-DIMETHYLPHENYL)-",002050-43-3,16303,"N-(2,4-dimethylphenyl)acetamide",CC1=CC(=C(C=C1)NC(=O)C)C,"InChI=1S/C10H13NO/c1-7-4-5-10(8(2)6-7)11-9(3)12/h4-6H,1-3H3,(H,11,12)",PJEIIBXJUDOMAN-UHFFFAOYSA-N,C10H13NO,163.22,163.099714,1.5,29.1,167,0,1,1,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 2-CHLORO-4-FLUORO-",002106-02-7,75013,2-chloro-4-fluoroaniline,C1=CC(=C(C=C1F)Cl)N,"InChI=1S/C6H5ClFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2",XRAKCYJTJGTSMM-UHFFFAOYSA-N,C6H5ClFN,145.56,145.009455,2.4,26,99,0,1,2,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"ETHANONE, 1-[4-(DIMETHYLAMINO)PHENYL]-",002124-31-4,75037,1-[4-(dimethylamino)phenyl]ethanone,CC(=O)C1=CC=C(C=C1)N(C)C,"InChI=1S/C10H13NO/c1-8(12)9-4-6-10(7-5-9)11(2)3/h4-7H,1-3H3",HUDYANRNMZDQGA-UHFFFAOYSA-N,C10H13NO,163.22,163.099714,2.1,20.3,157,0,0,2,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"SILANE, 1,4-PHENYLENEBIS[DIMETHYL-",002488-01-9,6328729,,C[Si](C)C1=CC=C(C=C1)[Si](C)C,"InChI=1S/C10H16Si2/c1-11(2)9-5-7-10(8-6-9)12(3)4/h5-8H,1-4H3",UHXCHUWSQRLZJS-UHFFFAOYSA-N,C10H16Si2,192.4,192.0790536,,0,108,0,0,0,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Glycine, alpha-ester with D-threo-(+)-2,2-dichloro-N-(beta-hydroxy-alpha-(hydr",002611-61-2,197006,"[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-methylsulfonylphenyl)propyl] 2-aminoacetate;hydrochloride",CS(=O)(=O)C1=CC=C(C=C1)[C@H]([C@@H](COC(=O)CN)NC(=O)C(Cl)Cl)O.Cl,"InChI=1S/C14H18Cl2N2O6S.ClH/c1-25(22,23)9-4-2-8(3-5-9)12(20)10(7-24-11(19)6-17)18-14(21)13(15)16;/h2-5,10,12-13,20H,6-7,17H2,1H3,(H,18,21);1H/t10-,12-;/m1./s1",DKXJDBJNAXSJDH-MHDYBILJSA-N,C14H19Cl3N2O6S,449.7,448.002941,,144,558,0,4,7,9,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, 2,4-DIMETHOXY-",002735-04-8,17652,"2,4-dimethoxyaniline",COC1=CC(=C(C=C1)N)OC,"InChI=1S/C8H11NO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,9H2,1-2H3",GEQNZVKIDIPGCO-UHFFFAOYSA-N,C8H11NO2,153.18,153.0789786,1.2,44.5,119,0,1,3,2,11,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"BENZOIC ACID, 2,5-DICHLORO-, METHYL ESTER",002905-69-3,17947,"methyl 2,5-dichlorobenzoate",COC(=O)C1=C(C=CC(=C1)Cl)Cl,"InChI=1S/C8H6Cl2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3",SPJQBGGHUDNAIC-UHFFFAOYSA-N,C8H6Cl2O2,205.03,203.9744848,4.1,26.3,172,0,0,2,2,12,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1
"BENZENEETHANOL, .BETA.-METHOXY-",002979-22-8,102910,2-methoxy-2-phenylethanol,COC(CO)C1=CC=CC=C1,"InChI=1S/C9H12O2/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3",JDTUPLBMGDDPJS-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,0.9,29.5,97,0,1,2,3,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, 2-HYDROXY-, HYDRAZONE",003291-00-7,102390,2-methanehydrazonoylphenol,C1=CC=C(C(=C1)C=NN)O,"InChI=1S/C7H8N2O/c8-9-5-6-3-1-2-4-7(6)10/h1-5,10H,8H2",MYUNWHTZYXUCIK-UHFFFAOYSA-N,C7H8N2O,136.15,136.0636629,1.2,58.6,125,0,2,3,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-(2,5-DIMETHOXYPHENYL)-",003467-59-2,77015,"N-(2,5-dimethoxyphenyl)acetamide",CC(=O)NC1=C(C=CC(=C1)OC)OC,"InChI=1S/C10H13NO3/c1-7(12)11-9-6-8(13-2)4-5-10(9)14-3/h4-6H,1-3H3,(H,11,12)",HOZRMSVNIKYCMB-UHFFFAOYSA-N,C10H13NO3,195.21,195.0895433,1.3,47.6,196,0,1,3,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENETHIOL, 2,5-DIMETHYL-",004001-61-0,77615,"2,5-dimethylbenzenethiol",CC1=CC(=C(C=C1)C)S,"InChI=1S/C8H10S/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3",NHAUBUMQRJWWAT-UHFFFAOYSA-N,C8H10S,138.23,138.0503215,2.8,1,90,0,1,1,0,9,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-[(2-NITROPHENYL)AMINO]-",004926-55-0,78637,2-(2-nitroanilino)ethanol,C1=CC=C(C(=C1)NCCO)[N+](=O)[O-],"InChI=1S/C8H10N2O3/c11-6-5-9-7-3-1-2-4-8(7)10(12)13/h1-4,9,11H,5-6H2",LFOUYKNCQNVIGI-UHFFFAOYSA-N,C8H10N2O3,182.18,182.0691422,1.5,78.1,169,0,2,4,3,13,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENAMINE, 5-CHLORO-2-METHYL-, HYDROCHLORIDE",006259-42-3,80416,5-chloro-2-methylaniline;hydrochloride,CC1=C(C=C(C=C1)Cl)N.Cl,"InChI=1S/C7H8ClN.ClH/c1-5-2-3-6(8)4-7(5)9;/h2-4H,9H2,1H3;1H",BMZGSMUCRXYUGB-UHFFFAOYSA-N,C7H9Cl2N,178.06,177.0112047,,26,94,0,2,1,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1-CHLORO-2-METHYL-4-NITRO-",013290-74-9,83315,1-chloro-2-methyl-4-nitrobenzene,CC1=C(C=CC(=C1)[N+](=O)[O-])Cl,"InChI=1S/C7H6ClNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3",BGDCQZFFNFXYQC-UHFFFAOYSA-N,C7H6ClNO2,171.58,171.0087061,3.3,45.8,157,0,0,2,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,0
"CARBONOCHLORIDOTHIOIC ACID, S-PHENYL ESTER",013464-19-2,83493,S-phenyl chloromethanethioate,C1=CC=C(C=C1)SC(=O)Cl,InChI=1S/C7H5ClOS/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,HBEFYGYBMKPNSZ-UHFFFAOYSA-N,C7H5ClOS,172.63,171.9749636,3.3,42.4,121,0,0,2,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-(4-METHYLPHENOXY)-",015149-10-7,84804,2-(4-methylphenoxy)ethanol,CC1=CC=C(C=C1)OCCO,"InChI=1S/C9H12O2/c1-8-2-4-9(5-3-8)11-7-6-10/h2-5,10H,6-7H2,1H3",FFWXHQFJNOGDJE-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,1.5,29.5,95,0,1,2,3,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 4-(PENTYLOXY)-",018979-53-8,29353,4-pentoxyphenol,CCCCCOC1=CC=C(C=C1)O,"InChI=1S/C11H16O2/c1-2-3-4-9-13-11-7-5-10(12)6-8-11/h5-8,12H,2-4,9H2,1H3",JCLFHZLOKITRCE-UHFFFAOYSA-N,C11H16O2,180.24,180.1150297,3.5,29.5,117,0,1,2,5,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZAMIDE, 4-METHYL-3-NITRO-",019013-11-7,87896,4-methyl-3-nitrobenzamide,CC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-],"InChI=1S/C8H8N2O3/c1-5-2-3-6(8(9)11)4-7(5)10(12)13/h2-4H,1H3,(H2,9,11)",YEUGEQUFPMJGCD-UHFFFAOYSA-N,C8H8N2O3,180.16,180.0534921,1.3,88.9,224,0,1,3,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-[3-[(2-CYANOETHYL)ETHYLAMINO]-4-METHOXYPHENYL]-",019433-94-4,88059,N-[3-[2-cyanoethyl(ethyl)amino]-4-methoxyphenyl]acetamide,CCN(CCC#N)C1=C(C=CC(=C1)NC(=O)C)OC,"InChI=1S/C14H19N3O2/c1-4-17(9-5-8-15)13-10-12(16-11(2)18)6-7-14(13)19-3/h6-7,10H,4-5,9H2,1-3H3,(H,16,18)",GMJYHCWSTTTWRT-UHFFFAOYSA-N,C14H19N3O2,261.32,261.1477269,1.2,65.4,337,0,1,4,6,19,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-BENZENEDIAMINE, 2,5-DICHLORO-",020103-09-7,29949,"2,5-dichlorobenzene-1,4-diamine",C1=C(C(=CC(=C1Cl)N)Cl)N,"InChI=1S/C6H6Cl2N2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H,9-10H2",QAYVHDDEMLNVMO-UHFFFAOYSA-N,C6H6Cl2N2,177.03,175.9908036,2.4,52,106,0,2,2,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1,2-DICHLORO-4-IODO-",020555-91-3,88591,"1,2-dichloro-4-iodobenzene",C1=CC(=C(C=C1I)Cl)Cl,InChI=1S/C6H3Cl2I/c7-5-2-1-4(9)3-6(5)8/h1-3H,NADPFZNWCQIJJW-UHFFFAOYSA-N,C6H3Cl2I,272.89,271.86565,4.3,0,97,0,0,0,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-D ESTERS [CAS NO. 025168-26-7]",025168-26-7,24678,"6-methylheptyl 2-(2,4-dichlorophenoxy)acetate",CC(C)CCCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl,"InChI=1S/C16H22Cl2O3/c1-12(2)6-4-3-5-9-20-16(19)11-21-15-8-7-13(17)10-14(15)18/h7-8,10,12H,3-6,9,11H2,1-2H3",BBPLSOGERZQYQC-UHFFFAOYSA-N,C16H22Cl2O3,333.2,332.0945999,6.3,35.5,297,0,0,3,10,21,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"ETHANOL, 2-[(4-HYDRAZINOPHENYL)SULFONYL]-",026505-12-4,117802,2-(4-hydrazinylphenyl)sulfonylethanol,C1=CC(=CC=C1NN)S(=O)(=O)CCO,"InChI=1S/C8H12N2O3S/c9-10-7-1-3-8(4-2-7)14(12,13)6-5-11/h1-4,10-11H,5-6,9H2",IQIBZZZBPKFTAE-UHFFFAOYSA-N,C8H12N2O3S,216.26,216.0568634,-0.2,101,252,0,3,5,4,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
NONYLPHENOL POLYETHYLENE GLYCOL ETHER,027177-01-1,168665,2-[2-[2-[2-[2-[2-(2-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol,CCCCCCCCCC1=CC=CC=C1OCCOCCOCCOCCOCCOCCO,"InChI=1S/C27H48O7/c1-2-3-4-5-6-7-8-11-26-12-9-10-13-27(26)34-25-24-33-23-22-32-21-20-31-19-18-30-17-16-29-15-14-28/h9-10,12-13,28H,2-8,11,14-25H2,1H3",TWIMUEGVLWNOMO-UHFFFAOYSA-N,C27H48O7,484.7,484.3400039,5.1,75.6,397,0,1,7,26,34,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"THIOBENCARB [CARBAMIC ACID, DIETHYLTHIO-, S-(P-CHLOROBENZYL)]",028249-77-6,34192,"S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate",CCN(CC)C(=O)SCC1=CC=C(C=C1)Cl,"InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3",QHTQREMOGMZHJV-UHFFFAOYSA-N,C12H16ClNOS,257.78,257.064113,3.4,45.6,213,0,0,2,5,16,,BP: 126-129 °C at 0.008 mm Hg,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-BENZENEDIOL, 4-(HYDROXYMETHYL)-",033617-59-3,118511,"4-(hydroxymethyl)benzene-1,3-diol",C1=CC(=C(C=C1O)O)CO,"InChI=1S/C7H8O3/c8-4-5-1-2-6(9)3-7(5)10/h1-3,8-10H,4H2",RQCDKJFKYGNXBD-UHFFFAOYSA-N,C7H8O3,140.14,140.0473441,0.4,60.7,105,0,3,3,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 3-(2-HYDROXYETHOXY)-",049650-88-6,152273,3-(2-hydroxyethoxy)phenol,C1=CC(=CC(=C1)OCCO)O,"InChI=1S/C8H10O3/c9-4-5-11-8-3-1-2-7(10)6-8/h1-3,6,9-10H,4-5H2",KKOWMCYVIXBCGE-UHFFFAOYSA-N,C8H10O3,154.16,154.0629942,0.9,49.7,106,0,2,3,3,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, N-(2-METHOXYETHYL)-2,6-DIMETHYL-",050563-55-8,170858,"N-(2-methoxyethyl)-2,6-dimethylaniline",CC1=C(C(=CC=C1)C)NCCOC,"InChI=1S/C11H17NO/c1-9-5-4-6-10(2)11(9)12-7-8-13-3/h4-6,12H,7-8H2,1-3H3",OTKGPBKVICJCOU-UHFFFAOYSA-N,C11H17NO,179.26,179.1310142,2.5,21.3,128,0,1,2,4,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZALDEHYDE, 2-HYDROXY-5-NONYL-, OXIME",050849-47-3,135478032,2-[(E)-hydroxyiminomethyl]-4-nonylphenol,CCCCCCCCCC1=CC(=C(C=C1)O)/C=N/O,"InChI=1S/C16H25NO2/c1-2-3-4-5-6-7-8-9-14-10-11-16(18)15(12-14)13-17-19/h10-13,18-19H,2-9H2,1H3/b17-13+",MJUVQSGLWOGIOB-GHRIWEEISA-N,C16H25NO2,263.37,263.188529,5.9,52.8,243,0,2,3,9,19,,,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,1,0,0
"2-PENTENENITRILE, 3-METHYL-5-PHENYL-, (Z)-",053243-59-7,1381163,(Z)-3-methyl-5-phenylpent-2-enenitrile,C/C(=C/C#N)/CCC1=CC=CC=C1,"InChI=1S/C12H13N/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3/b11-9-",QELCXXZZKSRBET-LUAWRHEFSA-N,C12H13N,171.24,171.1047994,3.3,23.8,213,0,0,1,3,13,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"ACETAMIDE, N-[3-[(2-CYANOETHYL)(2-HYDROXYETHYL)AMINO]PHENYL]-",055379-84-5,108703,N-[3-[2-cyanoethyl(2-hydroxyethyl)amino]phenyl]acetamide,CC(=O)NC1=CC(=CC=C1)N(CCC#N)CCO,"InChI=1S/C13H17N3O2/c1-11(18)15-12-4-2-5-13(10-12)16(8-9-17)7-3-6-14/h2,4-5,10,17H,3,7-9H2,1H3,(H,15,18)",ITCQFSOCCFSHHU-UHFFFAOYSA-N,C13H17N3O2,247.29,247.1320768,0.3,76.4,311,0,2,4,6,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzyl alcohol, alpha-(tert-butylamino)methyl-2-chloro-, hydrochloride",056776-01-3,5702285,2-(tert-butylamino)-1-(2-chlorophenyl)ethanol;hydrochloride,CC(C)(C)NCC(C1=CC=CC=C1Cl)O.Cl,"InChI=1S/C12H18ClNO.ClH/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13;/h4-7,11,14-15H,8H2,1-3H3;1H",RSLNRVYIRDVHLY-UHFFFAOYSA-N,C12H19Cl2NO,264.19,263.0843696,,32.3,191,0,3,2,4,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANENITRILE, 3-(BUTYLPHENYLAMINO)-",061852-40-2,112757,3-(N-butylanilino)propanenitrile,CCCCN(CCC#N)C1=CC=CC=C1,"InChI=1S/C13H18N2/c1-2-3-11-15(12-7-10-14)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,11-12H2,1H3",KMGZOJSHGRNXOC-UHFFFAOYSA-N,C13H18N2,202.3,202.1469986,3,27,198,0,0,2,6,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZALDEHYDE, 2,4,5-TRIETHOXY-",067827-54-7,105686,"2,4,5-triethoxybenzaldehyde",CCOC1=CC(=C(C=C1C=O)OCC)OCC,"InChI=1S/C13H18O4/c1-4-15-11-8-13(17-6-3)12(16-5-2)7-10(11)9-14/h7-9H,4-6H2,1-3H3",OQEPUQXAJPNVFJ-UHFFFAOYSA-N,C13H18O4,238.28,238.1205091,2.4,44.8,219,0,0,4,7,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-BUTYN-2-OL, 4-(3-AMINOPHENYL)-2-METHYL-",069088-96-6,112236,4-(3-aminophenyl)-2-methylbut-3-yn-2-ol,CC(C)(C#CC1=CC(=CC=C1)N)O,"InChI=1S/C11H13NO/c1-11(2,13)7-6-9-4-3-5-10(12)8-9/h3-5,8,13H,12H2,1-2H3",DQPSETABKZMTEZ-UHFFFAOYSA-N,C11H13NO,175.23,175.099714,1.1,46.3,233,0,2,2,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"BENZALDEHYDE, 5-DODECYL-2-HYDROXY-, OXIME",077635-32-6,135441937,4-dodecyl-2-[(E)-hydroxyiminomethyl]phenol,CCCCCCCCCCCCC1=CC(=C(C=C1)O)/C=N/O,"InChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14-19(21)18(15-17)16-20-22/h13-16,21-22H,2-12H2,1H3/b20-16+",UWGTVLYQSJNUFP-CAPFRKAQSA-N,C19H31NO2,305.5,305.2354792,7.5,52.8,281,0,2,3,12,22,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"1,3-BENZENEDIAMINE, 4-METHYL-2,6-BIS(METHYLTHIO)-",102093-68-5,11264371,"4-methyl-2,6-bis(methylsulfanyl)benzene-1,3-diamine",CC1=CC(=C(C(=C1N)SC)N)SC,"InChI=1S/C9H14N2S2/c1-5-4-6(12-2)8(11)9(13-3)7(5)10/h4H,10-11H2,1-3H3",AOFIWCXMXPVSAZ-UHFFFAOYSA-N,C9H14N2S2,214.4,214.0598408,1.9,103,166,0,2,4,2,13,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-ETHYLHEXYL METHYL-1,4-BENZENEDICARBOXYLATE (2-ETHYLHEXYL METHYL TEREPHTHALAT",063468-13-3,3017423,"4-O-(2-ethylhexyl) 1-O-methyl benzene-1,4-dicarboxylate",CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OC,"InChI=1S/C17H24O4/c1-4-6-7-13(5-2)12-21-17(19)15-10-8-14(9-11-15)16(18)20-3/h8-11,13H,4-7,12H2,1-3H3",KHDNBLKBTBOSDJ-UHFFFAOYSA-N,C17H24O4,292.4,292.1674592,4.8,52.6,319,0,0,4,10,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-FLUORO-4-NITROPHENOL,000403-19-0,9825,2-fluoro-4-nitrophenol,C1=CC(=C(C=C1[N+](=O)[O-])F)O,"InChI=1S/C6H4FNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H",ORPHLVJBJOCHBR-UHFFFAOYSA-N,C6H4FNO3,157.1,157.0175212,2.1,66.1,158,0,1,4,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZOIC ACID-D,,13000560,deuterio benzoate,[2H]OC(=O)C1=CC=CC=C1,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i/hD",WPYMKLBDIGXBTP-DYCDLGHISA-N,C7H6O2,123.13,123.0430562,1.9,37.3,103,0,1,2,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"N,N-DIETHYL-P-TOLUAMIDE",000272-84-3,75946,"N,N-diethyl-4-methylbenzamide",CCN(CC)C(=O)C1=CC=C(C=C1)C,"InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3",PUZORFQMRDHKBT-UHFFFAOYSA-N,C12H17NO,191.27,191.1310142,1.6,20.3,179,0,0,1,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
(S)-(-)-ALPHA-METHYLBENZYLAMINE,002627-86-3,75818,(1S)-1-phenylethanamine,C[C@@H](C1=CC=CC=C1)N,"InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1",RQEUFEKYXDPUSK-ZETCQYMHSA-N,C8H11N,121.18,121.0891494,1.2,26,74,0,1,1,1,9,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
HEXABROMOBENZENE,000087-82-1,6905,"1,2,3,4,5,6-hexabromobenzene",C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)Br,InChI=1S/C6Br6/c7-1-2(8)4(10)6(12)5(11)3(1)9,CAYGQBVSOZLICD-UHFFFAOYSA-N,C6Br6,551.5,551.50388,6.1,0,104,0,0,0,0,12,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
4-ETHENYLBENZONITRILE,003435-51-6,76967,4-ethenylbenzonitrile,C=CC1=CC=C(C=C1)C#N,"InChI=1S/C9H7N/c1-2-8-3-5-9(7-10)6-4-8/h2-6H,1H2",SNTUCKQYWGHZPK-UHFFFAOYSA-N,C9H7N,129.16,129.0578492,2.8,23.8,155,0,0,1,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CYANOBENZOIC ACID,003839-22-3,138061,2-cyanobenzoic acid,C1=CC=C(C(=C1)C#N)C(=O)O,"InChI=1S/C8H5NO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,(H,10,11)",DTNSDCJFTHMDAK-UHFFFAOYSA-N,C8H5NO2,147.13,147.0320284,1.2,61.1,203,0,1,3,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIMETHYLCATHINONE (HYDROCHLORIDE)",010105-90-5,3084061,2-(dimethylamino)-1-phenylpropan-1-one;hydrochloride,CC(C(=O)C1=CC=CC=C1)N(C)C.Cl,"InChI=1S/C11H15NO.ClH/c1-9(12(2)3)11(13)10-7-5-4-6-8-10;/h4-9H,1-3H3;1H",APOWZIQNQJSLKG-UHFFFAOYSA-N,C11H16ClNO,213.7,213.0920418,,20.3,171,0,1,2,3,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-METHYL-4-CHLOROPHENOXYACETIC ACID, ISOOCTYL (2-ETHYLHEXYL) ESTER",029450-45-1,93128,2-ethylhexyl 2-(4-chloro-2-methylphenoxy)acetate,CCCCC(CC)COC(=O)COC1=C(C=C(C=C1)Cl)C,"InChI=1S/C17H25ClO3/c1-4-6-7-14(5-2)11-21-17(19)12-20-16-9-8-15(18)10-13(16)3/h8-10,14H,4-7,11-12H2,1-3H3",IDGRPSMONFWWEK-UHFFFAOYSA-N,C17H25ClO3,312.8,312.1492223,5.9,35.5,296,0,0,3,10,21,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
1-CHLORO-4-CHLOROMETHYLBENZENE,000104-83-6,7723,1-chloro-4-(chloromethyl)benzene,C1=CC(=CC=C1CCl)Cl,"InChI=1S/C7H6Cl2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2",JQZAEUFPPSRDOP-UHFFFAOYSA-N,C7H6Cl2,161.03,159.9846556,3.2,0,75,0,0,0,1,9,,223 °C,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
5-CHLORO-2-METHYLANILINE,000095-79-4,7260,5-chloro-2-methylaniline,CC1=C(C=C(C=C1)Cl)N,"InChI=1S/C7H8ClN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3",WRZOMWDJOLIVQP-UHFFFAOYSA-N,C7H8ClN,141.6,141.034527,1.4,26,94,0,1,1,0,9,,237 °C AT 722 MM HG,0,1,0,1,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CHLOROPHENOL,000095-57-8,7245,2-chlorophenol,C1=CC=C(C(=C1)O)Cl,"InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H",ISPYQTSUDJAMAB-UHFFFAOYSA-N,C6H5ClO,128.55,128.0028925,2.1,20.2,74,0,1,1,0,8,"147 °F (NTP, 1992)","347 to 349 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4-DICHLOROPHENOL",000120-83-2,8449,"2,4-dichlorophenol",C1=CC(=C(C=C1Cl)Cl)O,"InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H",HFZWRUODUSTPEG-UHFFFAOYSA-N,C6H4Cl2O,163,161.9639201,3.1,20.2,97,0,1,1,0,9,"237 °F (NTP, 1992)","410 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"(+-)-3-((alpha-methylphenethyl)amino)Propionitrile, monohydrochloride,",018305-29-8,161245,3-(1-phenylpropan-2-ylamino)propanenitrile;hydrochloride,CC(CC1=CC=CC=C1)NCCC#N.Cl,"InChI=1S/C12H16N2.ClH/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12;/h2-4,6-7,11,14H,5,9-10H2,1H3;1H",ZBRZSJUFJUMKIM-UHFFFAOYSA-N,C12H17ClN2,224.73,224.1080262,,35.8,186,0,2,2,5,15,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1,4-DIETHENYL-",000105-06-6,66041,"1,4-bis(ethenyl)benzene",C=CC1=CC=C(C=C1)C=C,"InChI=1S/C10H10/c1-3-9-5-7-10(4-2)8-6-9/h3-8H,1-2H2",WEERVPDNCOGWJF-UHFFFAOYSA-N,C10H10,130.19,130.0782503,3.5,0,100,0,0,0,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,1,1
4-TERT-BUTYLCATECHOL,000098-29-3,7381,"4-tert-butylbenzene-1,2-diol",CC(C)(C)C1=CC(=C(C=C1)O)O,"InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3",XESZUVZBAMCAEJ-UHFFFAOYSA-N,C10H14O2,166.22,166.0993797,2.7,40.5,148,0,2,2,1,12,130 °C,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"PHENOL, 2,4-DICHLORO-3,5-DIMETHYL-",000133-53-9,8621,"2,4-dichloro-3,5-dimethylphenol",CC1=CC(=C(C(=C1Cl)C)Cl)O,"InChI=1S/C8H8Cl2O/c1-4-3-6(11)8(10)5(2)7(4)9/h3,11H,1-2H3",IYOLBFFHPZOQGW-UHFFFAOYSA-N,C8H8Cl2O,191.05,189.9952203,3.6,20.2,140,0,1,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
N-PHENYLAMINOPROPYLTRIMETHOXYSILANE,003068-76-6,76476,N-(3-trimethoxysilylpropyl)aniline,CO[Si](CCCNC1=CC=CC=C1)(OC)OC,"InChI=1S/C12H21NO3Si/c1-14-17(15-2,16-3)11-7-10-13-12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3",KBJFYLLAMSZSOG-UHFFFAOYSA-N,C12H21NO3Si,255.38,255.1290701,,39.7,186,0,1,4,8,17,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,6-DIAMINOTOLUENE",000823-40-5,13205,"2-methylbenzene-1,3-diamine",CC1=C(C=CC=C1N)N,"InChI=1S/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H3",RLYCRLGLCUXUPO-UHFFFAOYSA-N,C7H10N2,122.17,122.0843983,0.9,52,82,0,2,2,0,9,,289 °C,0,1,0,1,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,0
SALICYLIC ACID,000069-72-7,338,2-hydroxybenzoic acid,C1=CC=C(C(=C1)C(=O)O)O,"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)",YGSDEFSMJLZEOE-UHFFFAOYSA-N,C7H6O3,138.12,138.031694,2.3,57.5,133,0,2,3,1,10,315 °F (157 °C) (closed cup),211 °C at 20 torr,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
PROPYL GALLATE,000121-79-9,4947,"propyl 3,4,5-trihydroxybenzoate",CCCOC(=O)C1=CC(=C(C(=C1)O)O)O,"InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3",ZTHYODDOHIVTJV-UHFFFAOYSA-N,C10H12O5,212.2,212.0684735,1.8,87,206,0,3,5,4,15,"368 °F (NTP, 1992)","Decomposes (NTP, 1992)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENEPROPANOIC ACID, 3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXY-, METHYL ESTER",006386-38-5,62603,"methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate",CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OC,"InChI=1S/C18H28O3/c1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6/h10-11,20H,8-9H2,1-7H3",PXMJCECEFTYEKE-UHFFFAOYSA-N,C18H28O3,292.4,292.2038448,5,46.5,324,0,1,3,6,21,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
P-NONYLPHENOL,000104-40-5,1752,4-nonylphenol,CCCCCCCCCC1=CC=C(C=C1)O,"InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3",IGFHQQFPSIBGKE-UHFFFAOYSA-N,C15H24O,220.35,220.1827154,5.9,20.2,148,0,1,1,8,16,113 °C (235 °F) - closed cup,317 °C,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,0
"PHENOL, 2-(1,1-DIMETHYLETHYL)-5-METHYL-",000088-60-8,6937,2-tert-butyl-5-methylphenol,CC1=CC(=C(C=C1)C(C)(C)C)O,"InChI=1S/C11H16O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7,12H,1-4H3",XOUQAVYLRNOXDO-UHFFFAOYSA-N,C11H16O,164.24,164.1201151,3.6,20.2,146,0,1,1,1,12,114 °C,224 °C AT 760 MM HG,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
M-DICHLOROBENZENE,000541-73-1,10943,"1,3-dichlorobenzene",C1=CC(=CC(=C1)Cl)Cl,InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H,ZPQOPVIELGIULI-UHFFFAOYSA-N,C6H4Cl2,147,145.9690055,3.5,0,64,0,0,0,0,8,"146 °F (NTP, 1992)","343 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
(+/-)-EPINEPHRINE,000329-65-7,838,"4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol",CNCC(C1=CC(=C(C=C1)O)O)O,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3",UCTWMZQNUQWSLP-UHFFFAOYSA-N,C9H13NO3,183.2,183.0895433,-1.4,72.7,154,0,4,4,3,13,,,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2'-METHYLACETOPHENONE,000577-16-2,11340,1-(2-methylphenyl)ethanone,CC1=CC=CC=C1C(=O)C,"InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3",YXWWHNCQZBVZPV-UHFFFAOYSA-N,C9H10O,134.17,134.0731649,2,17.1,129,0,0,1,1,10,,214.00 °C. @ 760.00 mm Hg,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ACEBUTOLOL HYDROCHLORIDE,034381-68-5,441307,N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide;hydrochloride,CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C.Cl,"InChI=1S/C18H28N2O4.ClH/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3;/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23);1H",KTUFKADDDORSSI-UHFFFAOYSA-N,C18H29ClN2O4,372.9,372.1815851,,87.7,400,0,4,5,10,25,,,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
TETRACHLOROPHTHALONITRILE,001953-99-7,16057,"3,4,5,6-tetrachlorobenzene-1,2-dicarbonitrile",C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C#N,InChI=1S/C8Cl4N2/c9-5-3(1-13)4(2-14)6(10)8(12)7(5)11,OQHXZZGZASQSOB-UHFFFAOYSA-N,C8Cl4N2,265.9,265.878609,2.9,47.6,282,0,0,2,0,14,,,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZONITRILE, 2-AMINO-3-CHLORO-5-NITRO-",020352-84-5,88504,2-amino-3-chloro-5-nitrobenzonitrile,C1=C(C=C(C(=C1C#N)N)Cl)[N+](=O)[O-],"InChI=1S/C7H4ClN3O2/c8-6-2-5(11(12)13)1-4(3-9)7(6)10/h1-2H,10H2",XVYNBLCPQVDRCH-UHFFFAOYSA-N,C7H4ClN3O2,197.58,196.9992041,2,95.6,256,0,1,4,0,13,,,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Urea, 1-((p-chlorophenyl)sulfonyl)-3-propyl-",000094-20-2,2727,1-(4-chlorophenyl)sulfonyl-3-propylurea,CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl,"InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)",RKWGIWYCVPQPMF-UHFFFAOYSA-N,C10H13ClN2O3S,276.74,276.0335411,2.3,83.7,345,0,2,3,4,17,,,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
O-AMINOPHENOL-PARA-SULFONIC ACID,000098-37-3,7385,3-amino-4-hydroxybenzenesulfonic acid,C1=CC(=C(C=C1S(=O)(=O)O)N)O,"InChI=1S/C6H7NO4S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3,8H,7H2,(H,9,10,11)",ULUIMLJNTCECJU-UHFFFAOYSA-N,C6H7NO4S,189.19,189.0095789,-0.1,109,245,0,3,5,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-BROMOBENZOYL CHLORIDE,000586-75-4,68515,4-bromobenzoyl chloride,C1=CC(=CC=C1C(=O)Cl)Br,InChI=1S/C7H4BrClO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,DENKGPBHLYFNGK-UHFFFAOYSA-N,C7H4BrClO,219.46,217.91341,3.8,17.1,130,0,0,1,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
2-METHOXY-5-NITROBENZYL BROMIDE,003913-23-3,77516,2-(bromomethyl)-1-methoxy-4-nitrobenzene,COC1=C(C=C(C=C1)[N+](=O)[O-])CBr,"InChI=1S/C8H8BrNO3/c1-13-8-3-2-7(10(11)12)4-6(8)5-9/h2-4H,5H2,1H3",JRHMPHMGOGMNDU-UHFFFAOYSA-N,C8H8BrNO3,246.06,244.96876,2.3,55.1,183,0,0,3,2,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,4-DINITROBENZENESULFENYL CHLORIDE",000528-76-7,68251,"(2,4-dinitrophenyl) thiohypochlorite",C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCl,InChI=1S/C6H3ClN2O4S/c7-14-6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H,GPXDNWQSQHFKRB-UHFFFAOYSA-N,C6H3ClN2O4S,234.62,233.9502054,2.4,117,241,0,0,5,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
3-CHLOROPHENYL ISOCYANATE,002909-38-8,17968,1-chloro-3-isocyanatobenzene,C1=CC(=CC(=C1)Cl)N=C=O,InChI=1S/C7H4ClNO/c8-6-2-1-3-7(4-6)9-5-10/h1-4H,HHIRBXHEYVDUAM-UHFFFAOYSA-N,C7H4ClNO,153.56,152.9981414,3.4,29.4,154,0,0,2,1,10,,,1,0,1,0,0,0,1,1,0,0,0,0,0,0,1,0,1,1,0,0
M-TETRAMETHYLXYLENE ISOCYANATE,002094-99-7,604152,1-(2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene,CC(=C)C1=CC(=CC=C1)C(C)(C)N=C=O,"InChI=1S/C13H15NO/c1-10(2)11-6-5-7-12(8-11)13(3,4)14-9-15/h5-8H,1H2,2-4H3",ZVEMLYIXBCTVOF-UHFFFAOYSA-N,C13H15NO,201.26,201.1153641,4.6,29.4,287,0,0,2,3,15,,,1,0,1,0,0,0,1,0,0,0,0,0,0,0,1,0,1,1,1,0
"1-(BROMOMETHYL)-2,3,5,6-TETRAFLUORO-4-(TRIFLUOROMETHYL)BENZENE",076437-40-6,127137,"1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene",C(C1=C(C(=C(C(=C1F)F)C(F)(F)F)F)F)Br,"InChI=1S/C8H2BrF7/c9-1-2-4(10)6(12)3(8(14,15)16)7(13)5(2)11/h1H2",WKPYRDRWTNJBQI-UHFFFAOYSA-N,C8H2BrF7,310.99,309.92281,3.8,0,227,0,0,7,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CHLORODIMETHYLPENTAFLUOROPHENYLSILANE,020082-71-7,88361,"chloro-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane",C[Si](C)(C1=C(C(=C(C(=C1F)F)F)F)F)Cl,"InChI=1S/C8H6ClF5Si/c1-15(2,9)8-6(13)4(11)3(10)5(12)7(8)14/h1-2H3",PQRFRTCWNCVQHI-UHFFFAOYSA-N,C8H6ClF5Si,260.66,259.9847452,,0,223,0,0,5,1,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TEREPHTHALOYL CHLORIDE,000100-20-9,7488,"benzene-1,4-dicarbonyl chloride",C1=CC(=CC=C1C(=O)Cl)C(=O)Cl,InChI=1S/C8H4Cl2O2/c9-7(11)5-1-2-6(4-3-5)8(10)12/h1-4H,LXEJRKJRKIFVNY-UHFFFAOYSA-N,C8H4Cl2O2,203.02,201.9588348,4,34.1,173,0,0,2,2,12,356 °F,259 °C,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"3,5-BIS(TRIFLUOROMETHYL)BENZOYL CHLORIDE",000785-56-8,101856,"3,5-bis(trifluoromethyl)benzoyl chloride",C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)Cl,"InChI=1S/C9H3ClF6O/c10-7(17)4-1-5(8(11,12)13)3-6(2-4)9(14,15)16/h1-3H",WAKMMQSMEDJRRI-UHFFFAOYSA-N,C9H3ClF6O,276.56,275.9776614,4.8,17.1,275,0,0,7,1,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,6-DICHLOROBENZOYL CHLORIDE",004659-45-4,78392,"2,6-dichlorobenzoyl chloride",C1=CC(=C(C(=C1)Cl)C(=O)Cl)Cl,InChI=1S/C7H3Cl3O/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,JBLIDPPHFGWTKU-UHFFFAOYSA-N,C7H3Cl3O,209.5,207.924948,3.2,17.1,150,0,0,1,1,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
4-CHLOROBENZOYL CHLORIDE,000122-01-0,8501,4-chlorobenzoyl chloride,C1=CC(=CC=C1C(=O)Cl)Cl,InChI=1S/C7H4Cl2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,RKIDDEGICSMIJA-UHFFFAOYSA-N,C7H4Cl2O,175.01,173.9639201,3.6,17.1,128,0,0,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-NITROBENZENESULFONIC ACID,000138-42-1,8740,4-nitrobenzenesulfonic acid,C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)O,"InChI=1S/C6H5NO5S/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4H,(H,10,11,12)",SPXOTSHWBDUUMT-UHFFFAOYSA-N,C6H5NO5S,203.17,202.9888434,0.8,109,279,0,1,5,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"2,5-DIBROMO-1,4-BENZENEDICARBOXYLIC ACID",013731-82-3,83690,"2,5-dibromoterephthalic acid",C1=C(C(=CC(=C1Br)C(=O)O)Br)C(=O)O,"InChI=1S/C8H4Br2O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2H,(H,11,12)(H,13,14)",VUTICWRXMKBOSF-UHFFFAOYSA-N,C8H4Br2O4,323.92,323.84558,2.4,74.6,230,0,2,4,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DIMETHOXYPHENETHYLAMINE",003213-28-3,137857,"2-(3,5-dimethoxyphenyl)ethanamine",COC1=CC(=CC(=C1)CCN)OC,"InChI=1S/C10H15NO2/c1-12-9-5-8(3-4-11)6-10(7-9)13-2/h5-7H,3-4,11H2,1-2H3",ZHSFEDDRTVLPHH-UHFFFAOYSA-N,C10H15NO2,181.23,181.1102787,1.2,44.5,129,0,1,3,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-METHOXYTETRAFLUOROBENZYL BROMIDE,004910-40-1,2775276,"1-(bromomethyl)-2,3,5,6-tetrafluoro-4-methoxybenzene",COC1=C(C(=C(C(=C1F)F)CBr)F)F,"InChI=1S/C8H5BrF4O/c1-14-8-6(12)4(10)3(2-9)5(11)7(8)13/h2H2,1H3",SNPXIYPEWUELMV-UHFFFAOYSA-N,C8H5BrF4O,273.02,271.94599,2.9,9.2,178,0,0,5,2,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
HEXAKIS(BROMOMETHYL)BENZENE,003095-73-6,76540,"1,2,3,4,5,6-hexakis(bromomethyl)benzene",C(C1=C(C(=C(C(=C1CBr)CBr)CBr)CBr)CBr)Br,InChI=1S/C12H12Br6/c13-1-7-8(2-14)10(4-16)12(6-18)11(5-17)9(7)3-15/h1-6H2,XJOUCILNLRXRTF-UHFFFAOYSA-N,C12H12Br6,635.6,635.59778,5.3,0,163,0,0,0,6,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,2,4,5-TETRAKIS(BROMOMETHYL)BENZENE",015442-91-8,284971,"1,2,4,5-tetrakis(bromomethyl)benzene",C1=C(C(=CC(=C1CBr)CBr)CBr)CBr,"InChI=1S/C10H10Br4/c11-3-7-1-8(4-12)10(6-14)2-9(7)5-13/h1-2H,3-6H2",UTXIKCCNBUIWPT-UHFFFAOYSA-N,C10H10Br4,449.8,449.7475,4.2,0,128,0,0,0,4,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
TRIMETHYLPHENYLAMMONIUM HYDROXIDE SOLUTION,001899-02-1,15913,trimethyl(phenyl)azanium hydroxide,C[N+](C)(C)C1=CC=CC=C1.[OH-],"InChI=1S/C9H14N.H2O/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H2/q+1;/p-1",HADKRTWCOYPCPH-UHFFFAOYSA-M,C9H15NO,153.22,153.1153641,,1,95,0,1,1,1,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
4-(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE,002991-42-6,2777399,4-(trifluoromethyl)benzenesulfonyl chloride,C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)Cl,"InChI=1S/C7H4ClF3O2S/c8-14(12,13)6-3-1-5(2-4-6)7(9,10)11/h1-4H",OZDCZHDOIBUGAJ-UHFFFAOYSA-N,C7H4ClF3O2S,244.62,243.9572627,2.8,42.5,285,0,0,5,1,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, 4-AMINO-3-CHLORO-",000098-35-1,66816,4-amino-3-chlorobenzenesulfonic acid,C1=CC(=C(C=C1S(=O)(=O)O)Cl)N,"InChI=1S/C6H6ClNO3S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H,9,10,11)",NEECEUZBAHTVIN-UHFFFAOYSA-N,C6H6ClNO3S,207.64,206.9756919,1,88.8,248,0,2,4,1,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONYL FLUORIDE, 4-AMINO-",000098-62-4,66823,4-aminobenzenesulfonyl fluoride,C1=CC(=CC=C1N)S(=O)(=O)F,"InChI=1S/C6H6FNO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H,8H2",BPUKPIBWYZWYQV-UHFFFAOYSA-N,C6H6FNO2S,175.18,175.0103278,0.4,68.5,213,0,1,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PROPANOYL CHLORIDE, 2-PHENOXY-",000122-35-0,95436,2-phenoxypropanoyl chloride,CC(C(=O)Cl)OC1=CC=CC=C1,"InChI=1S/C9H9ClO2/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-7H,1H3",BDSSZTXPZHIYHM-UHFFFAOYSA-N,C9H9ClO2,184.62,184.0291072,2.9,26.3,153,0,0,2,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONYL FLUORIDE, 4-(ACETYLAMINO)-",000329-20-4,67608,4-acetamidobenzenesulfonyl fluoride,CC(=O)NC1=CC=C(C=C1)S(=O)(=O)F,"InChI=1S/C8H8FNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)",HRQHLUBMODFETM-UHFFFAOYSA-N,C8H8FNO3S,217.22,217.0208925,2.2,71.6,301,0,1,4,2,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1-IODO-3-(TRIFLUOROMETHYL)-",000401-81-0,67868,1-iodo-3-(trifluoromethyl)benzene,C1=CC(=CC(=C1)I)C(F)(F)F,"InChI=1S/C7H4F3I/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H",IGISPMBUGPHLBY-UHFFFAOYSA-N,C7H4F3I,272.01,271.93098,3.6,0,132,0,0,3,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-FLUORO-4-ISOTHIOCYANATO-",001544-68-9,15241,1-fluoro-4-isothiocyanatobenzene,C1=CC(=CC=C1N=C=S)F,InChI=1S/C7H4FNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H,NFIUJHJMCQQYDL-UHFFFAOYSA-N,C7H4FNS,153.18,153.0048485,3.4,44.5,146,0,0,3,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,1,0,0
"BENZOYL CHLORIDE, 3-FLUORO-",001711-07-5,74376,3-fluorobenzoyl chloride,C1=CC(=CC(=C1)F)C(=O)Cl,InChI=1S/C7H4ClFO/c8-7(10)5-2-1-3-6(9)4-5/h1-4H,SYVNVEGIRVXRQH-UHFFFAOYSA-N,C7H4ClFO,158.56,157.9934706,3.1,17.1,138,0,0,2,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHENOL, 4-HEXYL-",002446-69-7,17132,4-hexylphenol,CCCCCCC1=CC=C(C=C1)O,"InChI=1S/C12H18O/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10,13H,2-6H2,1H3",SZWBRVPZWJYIHI-UHFFFAOYSA-N,C12H18O,178.27,178.1357652,4.3,20.2,114,0,1,1,5,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOIC ACID, 3-(CHLOROSULFONYL)-",004025-64-3,77641,3-chlorosulfonylbenzoic acid,C1=CC(=CC(=C1)S(=O)(=O)Cl)C(=O)O,"InChI=1S/C7H5ClO4S/c8-13(11,12)6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)",LMRKXSDOAFUINK-UHFFFAOYSA-N,C7H5ClO4S,220.63,219.9597075,1.4,79.8,292,0,1,4,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZALDEHYDE, 3,4-DICHLORO-",006287-38-3,22710,"3,4-dichlorobenzaldehyde",C1=CC(=C(C=C1C=O)Cl)Cl,InChI=1S/C7H4Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H,ZWUSBSHBFFPRNE-UHFFFAOYSA-N,C7H4Cl2O,175.01,173.9639201,2.9,17.1,127,0,0,1,1,10,"greater than 235 °F (NTP, 1992)","477 to 478 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, 5-AMINO-2-METHOXY-",006470-17-3,80945,5-amino-2-methoxybenzenesulfonic acid,COC1=C(C=C(C=C1)N)S(=O)(=O)O,"InChI=1S/C7H9NO4S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)",JXZGTFLJFKLVAX-UHFFFAOYSA-N,C7H9NO4S,203.22,203.0252289,-0.4,98,258,0,2,5,2,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOIC ACID, 4-(CHLOROSULFONYL)-",010130-89-9,82385,4-chlorosulfonylbenzoic acid,C1=CC(=CC=C1C(=O)O)S(=O)(=O)Cl,"InChI=1S/C7H5ClO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)",PTCSSXYPZOFISK-UHFFFAOYSA-N,C7H5ClO4S,220.63,219.9597075,1.5,79.8,284,0,1,4,2,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONYL CHLORIDE, 2,4,5-TRICHLORO-",015945-07-0,27575,"2,4,5-trichlorobenzenesulfonyl chloride",C1=C(C(=CC(=C1Cl)Cl)Cl)S(=O)(=O)Cl,"InChI=1S/C6H2Cl4O2S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H",WNVVRCKTQSCPAC-UHFFFAOYSA-N,C6H2Cl4O2S,280,279.850011,3.8,42.5,273,0,0,2,1,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOYL CHLORIDE, 4-(PENTYLOXY)-",036823-84-4,94910,4-pentoxybenzoyl chloride,CCCCCOC1=CC=C(C=C1)C(=O)Cl,"InChI=1S/C12H15ClO2/c1-2-3-4-9-15-11-7-5-10(6-8-11)12(13)14/h5-8H,2-4,9H2,1H3",IBQDPNHVFRFCFK-UHFFFAOYSA-N,C12H15ClO2,226.7,226.0760574,4.4,26.3,186,0,0,2,6,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOYL CHLORIDE, 4-HEXYL-",050606-95-6,170863,4-hexylbenzoyl chloride,CCCCCCC1=CC=C(C=C1)C(=O)Cl,"InChI=1S/C13H17ClO/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14)15/h7-10H,2-6H2,1H3",XRAHLPNMIIAEPP-UHFFFAOYSA-N,C13H17ClO,224.72,224.0967929,5.1,17.1,183,0,0,1,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-(4-NONYLPHENYL)-.OMEGA.-HYDROXY-,PHOSPHATE",051609-41-7,65414,2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate,CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOP(=O)(O)O,"InChI=1S/C35H65O14P/c1-2-3-4-5-6-7-8-9-34-10-12-35(13-11-34)48-32-30-46-28-26-44-24-22-42-20-18-40-16-14-39-15-17-41-19-21-43-23-25-45-27-29-47-31-33-49-50(36,37)38/h10-13H,2-9,14-33H2,1H3,(H2,36,37,38)",QKBKGDSRBJNQCP-UHFFFAOYSA-N,C35H65O14P,740.9,740.4111937,3.4,159,724,0,2,14,40,50,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"SILANE, DICHLOROMETHYL(2-PHENYLETHYL)-",000772-65-6,69878,dichloro-methyl-(2-phenylethyl)silane,C[Si](CCC1=CC=CC=C1)(Cl)Cl,"InChI=1S/C9H12Cl2Si/c1-12(10,11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3",IDEKNJPMOJJQNQ-UHFFFAOYSA-N,C9H12Cl2Si,219.18,218.0085323,,0,130,0,0,0,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-SEC-BUTYLPHENOL,000099-71-8,7453,4-butan-2-ylphenol,CCC(C)C1=CC=C(C=C1)O,"InChI=1S/C10H14O/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8,11H,3H2,1-2H3",ZUTYZAFDFLLILI-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,3.1,20.2,103,0,1,1,2,11,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,6-DICHLOROPHENOL",000087-65-0,6899,"2,6-dichlorophenol",C1=CC(=C(C(=C1)Cl)O)Cl,"InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H",HOLHYSJJBXSLMV-UHFFFAOYSA-N,C6H4Cl2O,163,161.9639201,2.7,20.2,87,0,1,1,0,9,,"424 to 428 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
2-AMINO-5-CHLORO-4-METHYLBENZENESULFONIC ACID,000088-53-9,6936,2-amino-5-chloro-4-methylbenzenesulfonic acid,CC1=CC(=C(C=C1Cl)S(=O)(=O)O)N,"InChI=1S/C7H8ClNO3S/c1-4-2-6(9)7(3-5(4)8)13(10,11)12/h2-3H,9H2,1H3,(H,10,11,12)",VYZCFAPUHSSYCC-UHFFFAOYSA-N,C7H8ClNO3S,221.66,220.991342,1.5,88.8,274,0,2,4,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
7-PHENYL-1-HEPTANOL,003208-25-1,154271,7-phenylheptan-1-ol,C1=CC=C(C=C1)CCCCCCCO,"InChI=1S/C13H20O/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11,14H,1-3,5,8-9,12H2",UXMUSYTXSNVRMW-UHFFFAOYSA-N,C13H20O,192.3,192.1514153,4.5,20.2,116,0,1,1,7,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DIMETHOXYBENZALDEHYDE",000093-02-7,66726,"2,5-dimethoxybenzaldehyde",COC1=CC(=C(C=C1)OC)C=O,"InChI=1S/C9H10O3/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-6H,1-2H3",AFUKNJHPZAVHGQ-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.5,35.5,147,0,0,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"1,2,4-BENZENETRICARBOXYLIC ACID",000528-44-9,10708,"benzene-1,2,4-tricarboxylic acid",C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O,"InChI=1S/C9H6O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)",ARCGXLSVLAOJQL-UHFFFAOYSA-N,C9H6O6,210.14,210.0164379,0.3,112,297,0,3,6,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"PHENOL, 2-METHYL-4-(1,1,3,3-TETRAMETHYLBUTYL)-",002219-84-3,75206,"2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenol",CC1=C(C=CC(=C1)C(C)(C)CC(C)(C)C)O,"InChI=1S/C15H24O/c1-11-9-12(7-8-13(11)16)15(5,6)10-14(2,3)4/h7-9,16H,10H2,1-6H3",DYKCNMUCTREDMF-UHFFFAOYSA-N,C15H24O,220.35,220.1827154,5.3,20.2,224,0,1,1,3,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONYL ISOCYANATE, 4-METHYL-",004083-64-1,77703,4-methyl-N-(oxomethylidene)benzenesulfonamide,CC1=CC=C(C=C1)S(=O)(=O)N=C=O,"InChI=1S/C8H7NO3S/c1-7-2-4-8(5-3-7)13(11,12)9-6-10/h2-5H,1H3",VLJQDHDVZJXNQL-UHFFFAOYSA-N,C8H7NO3S,197.21,197.0146643,2.7,72,303,0,0,4,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"SILANE, DICHLOROMETHYL(2-PHENYLPROPYL)-",013617-28-2,114552,dichloro-methyl-(2-phenylpropyl)silane,CC(C[Si](C)(Cl)Cl)C1=CC=CC=C1,"InChI=1S/C10H14Cl2Si/c1-9(8-13(2,11)12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",OVUWGCLZOZCJBA-UHFFFAOYSA-N,C10H14Cl2Si,233.21,232.0241824,,0,153,0,0,0,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-BENZENEDICARBOXYLIC ACID, 5-SULFO-, MONOLITHIUM SALT",046728-75-0,23688987,lithium 3-carboxy-5-sulfobenzoate,[Li+].C1=C(C=C(C=C1C(=O)[O-])S(=O)(=O)O)C(=O)O,"InChI=1S/C8H6O7S.Li/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);/q;+1/p-1",GGKPBCOOXDBLLG-UHFFFAOYSA-M,C8H5LiO7S,252.2,251.9916021,,140,399,0,2,7,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-TYROSINE, DISODIUM SALT",069847-45-6,44120124,disodium;(2S)-2-amino-3-(4-oxidophenyl)propanoate,C1=CC(=CC=C1C[C@@H](C(=O)[O-])N)[O-].[Na+].[Na+],"InChI=1S/C9H11NO3.2Na/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;;/h1-4,8,11H,5,10H2,(H,12,13);;/q;2*+1/p-2/t8-;;/m0../s1",ASIYFCYUCMQNGK-JZGIKJSDSA-L,C9H9NNa2O3,225.15,225.0377817,,89.2,170,0,1,4,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Dodecylbenzenesulfonic acid, diethanolamine salt",026545-53-9,57371087,dodecyl benzenesulfonate;2-(2-hydroxyethylamino)ethanol,CCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1.C(CO)NCCO,"InChI=1S/C18H30O3S.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-14-17-21-22(19,20)18-15-12-11-13-16-18;6-3-1-5-2-4-7/h11-13,15-16H,2-10,14,17H2,1H3;5-7H,1-4H2",PNJUHWYLFGZTIK-UHFFFAOYSA-N,C22H41NO5S,431.6,431.2705446,,104,369,0,3,6,17,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
BROMOMESITYLENE,000576-83-0,68473,"2-bromo-1,3,5-trimethylbenzene",CC1=CC(=C(C(=C1)C)Br)C,"InChI=1S/C9H11Br/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3",RRTLQRYOJOSPEA-UHFFFAOYSA-N,C9H11Br,199.09,198.00441,3.7,0,99,0,0,0,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,5-TRIBROMOBENZENE",000626-39-1,12279,"1,3,5-tribromobenzene",C1=C(C=C(C=C1Br)Br)Br,InChI=1S/C6H3Br3/c7-4-1-5(8)3-6(9)2-4/h1-3H,YWDUZLFWHVQCHY-UHFFFAOYSA-N,C6H3Br3,314.8,313.77644,4.5,0,63,0,0,0,0,9,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
DL-TYROSINE,000556-03-6,1153,2-amino-3-(4-hydroxyphenyl)propanoic acid,C1=CC(=CC=C1CC(C(=O)O)N)O,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)",OUYCCCASQSFEME-UHFFFAOYSA-N,C9H11NO3,181.19,181.0738932,-2.3,83.6,176,0,3,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMO-2-FLUOROANISOLE,002357-52-0,75378,4-bromo-2-fluoro-1-methoxybenzene,COC1=C(C=C(C=C1)Br)F,"InChI=1S/C7H6BrFO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3",DWNXGZBXFDNKOR-UHFFFAOYSA-N,C7H6BrFO,205.02,203.95861,2.7,9.2,110,0,0,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-DIIODOBENZENE,000624-38-4,12208,"1,4-diiodobenzene",C1=CC(=CC=C1I)I,InChI=1S/C6H4I2/c7-5-1-2-6(8)4-3-5/h1-4H,LFMWZTSOMGDDJU-UHFFFAOYSA-N,C6H4I2,329.9,329.84025,4.1,0,54,0,0,0,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHENYL STEARATE,000637-55-8,69477,phenyl octadecanoate,CCCCCCCCCCCCCCCCCC(=O)OC1=CC=CC=C1,"InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(25)26-23-20-17-16-18-21-23/h16-18,20-21H,2-15,19,22H2,1H3",NUMNZKICGJJSHN-UHFFFAOYSA-N,C24H40O2,360.6,360.3028305,10.1,26.3,307,0,0,2,18,26,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"(ALPHA,ALPHA,ALPHA-TRIFLUORO-P-TOLYL)ACETIC ACID",032857-62-8,118342,2-[4-(trifluoromethyl)phenyl]acetic acid,C1=CC(=CC=C1CC(=O)O)C(F)(F)F,"InChI=1S/C9H7F3O2/c10-9(11,12)7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14)",HNORVZDAANCHAY-UHFFFAOYSA-N,C9H7F3O2,204.15,204.039814,2.4,37.3,205,0,1,5,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4'-(TRIFLUOROMETHOXY)ACETANILIDE,001737-06-0,74437,N-[4-(trifluoromethoxy)phenyl]acetamide,CC(=O)NC1=CC=C(C=C1)OC(F)(F)F,"InChI=1S/C9H8F3NO2/c1-6(14)13-7-2-4-8(5-3-7)15-9(10,11)12/h2-5H,1H3,(H,13,14)",QQRLAETWHFRNQH-UHFFFAOYSA-N,C9H8F3NO2,219.16,219.050713,2.6,38.3,222,0,1,5,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ORTHO-BENZYLHYDROXYLAMINE HYDROCHLORIDE,002687-43-6,102312,O-benzylhydroxylamine;hydrochloride,C1=CC=C(C=C1)CON.Cl,"InChI=1S/C7H9NO.ClH/c8-9-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;1H",HYDZPXNVHXJHBG-UHFFFAOYSA-N,C7H10ClNO,159.61,159.0450916,,35.3,69,0,2,2,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BUTOXYBENZALDEHYDE,005736-88-9,79813,4-butoxybenzaldehyde,CCCCOC1=CC=C(C=C1)C=O,"InChI=1S/C11H14O2/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h4-7,9H,2-3,8H2,1H3",XHWMNHADTZZHGI-UHFFFAOYSA-N,C11H14O2,178.23,178.0993797,2.7,26.3,137,0,0,2,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-HYDROXYPHENYLACETIC ACID,000621-37-4,12122,2-(3-hydroxyphenyl)acetic acid,C1=CC(=CC(=C1)O)CC(=O)O,"InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)",FVMDYYGIDFPZAX-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,0.9,57.5,144,0,2,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIHYDROXYBENZOIC ACID",000303-07-1,9338,"2,6-dihydroxybenzoic acid",C1=CC(=C(C(=C1)O)C(=O)O)O,"InChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11)",AKEUNCKRJATALU-UHFFFAOYSA-N,C7H6O4,154.12,154.0266087,2.2,77.8,147,0,3,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-5-AMINO-1-CHLOROACETYL-PENTYL-4-METHYL-BENZENESULFONAMIDE MONOHYDROCHLORIDE,004238-41-9,23335676,N-(7-amino-1-chloro-2-oxoheptan-3-yl)-4-methylbenzenesulfonamide;hydrochloride,CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCN)C(=O)CCl.Cl,"InChI=1S/C14H21ClN2O3S.ClH/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16;/h5-8,13,17H,2-4,9-10,16H2,1H3;1H",YFCUZWYIPBUQBD-UHFFFAOYSA-N,C14H22Cl2N2O3S,369.3,368.0728191,,97.6,414,0,3,5,9,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DIMETHOXYBENZOIC ACID",002785-98-0,76027,"2,5-dimethoxybenzoic acid",COC1=CC(=C(C=C1)OC)C(=O)O,"InChI=1S/C9H10O4/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5H,1-2H3,(H,10,11)",NYJBTJMNTNCTCP-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,1.3,55.8,180,0,1,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-DICHLOROBENZOIC ACID",000051-44-5,5817,"3,4-dichlorobenzoic acid",C1=CC(=C(C=C1C(=O)O)Cl)Cl,"InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)",VPHHJAOJUJHJKD-UHFFFAOYSA-N,C7H4Cl2O2,191.01,189.9588348,3.5,37.3,161,0,1,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIMETHOXYBENZALDEHYDE",003392-97-0,96404,"2,6-dimethoxybenzaldehyde",COC1=C(C(=CC=C1)OC)C=O,"InChI=1S/C9H10O3/c1-11-8-4-3-5-9(12-2)7(8)6-10/h3-6H,1-2H3",WXSGQHKHUYTJNB-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1,35.5,135,0,0,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-NITROGUAIACOL,003251-56-7,76738,2-methoxy-4-nitrophenol,COC1=C(C=CC(=C1)[N+](=O)[O-])O,"InChI=1S/C7H7NO4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3",IZLVFLOBTPURLP-UHFFFAOYSA-N,C7H7NO4,169.13,169.0375077,0.7,75.3,167,0,1,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DL-VANILLOMANDELIC ACID,002394-20-9,1245,2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid,COC1=C(C=CC(=C1)C(C(=O)O)O)O,"InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)",CGQCWMIAEPEHNQ-UHFFFAOYSA-N,C9H10O5,198.17,198.0528234,-0.2,87,205,0,3,5,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-HYDROXY-3-NITROBENZOIC ACID,000616-82-0,12033,4-hydroxy-3-nitrobenzoic acid,C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])O,"InChI=1S/C7H5NO5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11)",QRYSWXFQLFLJTC-UHFFFAOYSA-N,C7H5NO5,183.12,183.0167723,2,103,223,0,2,5,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"D-3,4-DIHYDROXYPHENYLALANINE",005796-17-8,92222,"(2R)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid",C1=CC(=C(C=C1C[C@H](C(=O)O)N)O)O,"InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m1/s1",WTDRDQBEARUVNC-ZCFIWIBFSA-N,C9H11NO4,197.19,197.0688078,-2.7,104,209,0,4,5,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-AMINOSALICYLIC ACID,000570-23-0,68443,3-amino-2-hydroxybenzoic acid,C1=CC(=C(C(=C1)N)O)C(=O)O,"InChI=1S/C7H7NO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,8H2,(H,10,11)",IQGMRVWUTCYCST-UHFFFAOYSA-N,C7H7NO3,153.14,153.0425931,0.9,83.6,160,0,3,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHLOROGLUCINOL, DIHYDRATE",006099-90-7,53233771,"benzene-1,3,5-triol;hydrate",C1=C(C=C(C=C1O)O)O.O,"InChI=1S/C6H6O3.H2O/c7-4-1-5(8)3-6(9)2-4;/h1-3,7-9H;1H2",JPLWLTSPJLPUQK-UHFFFAOYSA-N,C6H8O4,144.12,144.0422587,,61.7,63,0,4,4,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"2,4-DICHLOROPHENYLACETIC ACID",019719-28-9,88209,"2-(2,4-dichlorophenyl)acetic acid",C1=CC(=C(C=C1Cl)Cl)CC(=O)O,"InChI=1S/C8H6Cl2O2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12)",GXMWLJKTGBZMBH-UHFFFAOYSA-N,C8H6Cl2O2,205.03,203.9744848,2.9,37.3,172,0,1,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMO-M-XYLENE,000583-70-0,68503,"1-bromo-2,4-dimethylbenzene",CC1=CC(=C(C=C1)Br)C,"InChI=1S/C8H9Br/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H3",YSFLQVNTBBUKEA-UHFFFAOYSA-N,C8H9Br,185.06,183.98876,3.3,0,90,0,0,0,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2',4',6'-TRIHYDROXYACETOPHENONE",000480-66-0,68073,"1-(2,4,6-trihydroxyphenyl)ethanone",CC(=O)C1=C(C=C(C=C1O)O)O,"InChI=1S/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3",XLEYFDVVXLMULC-UHFFFAOYSA-N,C8H8O4,168.15,168.0422587,1.1,77.8,168,0,3,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BENZOYLPROPIONIC ACID,002051-95-8,72871,4-oxo-4-phenylbutanoic acid,C1=CC=C(C=C1)C(=O)CCC(=O)O,"InChI=1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)",KMQLIDDEQAJAGJ-UHFFFAOYSA-N,C10H10O3,178.18,178.0629942,1.3,54.4,192,0,1,3,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIBROMOBENZENE",000108-36-1,7927,"1,3-dibromobenzene",C1=CC(=CC(=C1)Br)Br,InChI=1S/C6H4Br2/c7-5-2-1-3-6(8)4-5/h1-4H,JSRLURSZEMLAFO-UHFFFAOYSA-N,C6H4Br2,235.9,235.86593,3.8,0,64,0,0,0,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PENTAMETHYLBENZOIC ACID,002243-32-5,75236,"2,3,4,5,6-pentamethylbenzoic acid",CC1=C(C(=C(C(=C1C)C)C(=O)O)C)C,"InChI=1S/C12H16O2/c1-6-7(2)9(4)11(12(13)14)10(5)8(6)3/h1-5H3,(H,13,14)",MNLKGWIYXCKWBU-UHFFFAOYSA-N,C12H16O2,192.25,192.1150297,3.3,37.3,208,0,1,2,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ALLYL PHENYL SULFONE,016212-05-8,85330,prop-2-enylsulfonylbenzene,C=CCS(=O)(=O)C1=CC=CC=C1,"InChI=1S/C9H10O2S/c1-2-8-12(10,11)9-6-4-3-5-7-9/h2-7H,1,8H2",KYPIULIVYSQNNT-UHFFFAOYSA-N,C9H10O2S,182.24,182.0401507,1.8,42.5,230,0,0,2,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BROMOPENTAFLUOROBENZENE,000344-04-7,9578,"1-bromo-2,3,4,5,6-pentafluorobenzene",C1(=C(C(=C(C(=C1F)F)Br)F)F)F,InChI=1S/C6BrF5/c7-1-2(8)4(10)6(12)5(11)3(1)9,XEKTVXADUPBFOA-UHFFFAOYSA-N,C6BrF5,246.96,245.91035,3.1,0,150,0,0,5,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL P-TOLUATE,000099-75-2,7455,methyl 4-methylbenzoate,CC1=CC=C(C=C1)C(=O)OC,"InChI=1S/C9H10O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3",QSSJZLPUHJDYKF-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,2.7,26.3,134,0,0,2,2,11,"204 °F (NTP, 1992)","423 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,5-TRIFLUOROBENZOIC ACID",000446-17-3,521170,"2,4,5-trifluorobenzoic acid",C1=C(C(=CC(=C1F)F)F)C(=O)O,"InChI=1S/C7H3F3O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)",AKAMNXFLKYKFOJ-UHFFFAOYSA-N,C7H3F3O2,176.09,176.0085138,1.7,37.3,185,0,1,5,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4,5-TRIFLUOROBENZOIC ACID",121602-93-5,853154,"3,4,5-trifluorobenzoic acid",C1=C(C=C(C(=C1F)F)F)C(=O)O,"InChI=1S/C7H3F3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)",VJMYKESYFHYUEQ-UHFFFAOYSA-N,C7H3F3O2,176.09,176.0085138,1.7,37.3,173,0,1,5,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-AMINO-4-CHLORO-3-METHYLBENZENESULFONIC ACID,000088-51-7,6935,2-amino-4-chloro-5-methylbenzenesulfonic acid,CC1=CC(=C(C=C1Cl)N)S(=O)(=O)O,"InChI=1S/C7H8ClNO3S/c1-4-2-7(13(10,11)12)6(9)3-5(4)8/h2-3H,9H2,1H3,(H,10,11,12)",VRLPHBSFRWMMPW-UHFFFAOYSA-N,C7H8ClNO3S,221.66,220.991342,1.5,88.8,274,0,2,4,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DIHYDROXYBENZALDEHYDE",026153-38-8,94365,"3,5-dihydroxybenzaldehyde",C1=C(C=C(C=C1O)O)C=O,"InChI=1S/C7H6O3/c8-4-5-1-6(9)3-7(10)2-5/h1-4,9-10H",HAQLHRYUDBKTJG-UHFFFAOYSA-N,C7H6O3,138.12,138.031694,0.7,57.5,114,0,2,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DIHYDROXYBENZALDEHYDE",001194-98-5,70949,"2,5-dihydroxybenzaldehyde",C1=CC(=C(C=C1O)C=O)O,"InChI=1S/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-4,9-10H",CLFRCXCBWIQVRN-UHFFFAOYSA-N,C7H6O3,138.12,138.031694,1.2,57.5,124,0,2,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
4-HYDROXY-3-METHYLBENZALDEHYDE,015174-69-3,139901,4-hydroxy-3-methylbenzaldehyde,CC1=C(C=CC(=C1)C=O)O,"InChI=1S/C8H8O2/c1-6-4-7(5-9)2-3-8(6)10/h2-5,10H,1H3",BAKYASSDAXQKKY-UHFFFAOYSA-N,C8H8O2,136.15,136.0524295,0.8,37.3,122,0,1,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
VALEROPHENONE,001009-14-9,66093,1-phenylpentan-1-one,CCCCC(=O)C1=CC=CC=C1,"InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3",XKGLSKVNOSHTAD-UHFFFAOYSA-N,C11H14O,162.23,162.1044651,3,17.1,134,0,0,1,4,12,,245.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-MERCAPTOBENZOIC ACID,001074-36-8,95738,4-sulfanylbenzoic acid,C1=CC(=CC=C1C(=O)O)S,"InChI=1S/C7H6O2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H,8,9)",LMJXSOYPAOSIPZ-UHFFFAOYSA-N,C7H6O2S,154.19,154.0088506,2.3,38.3,128,0,2,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-ETHYLNITROBENZENE,000100-12-9,7480,1-ethyl-4-nitrobenzene,CCC1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C8H9NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3",RESTWAHJFMZUIZ-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,3,45.8,134,0,0,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-TYROSINATE METHYL ESTER HYDROCHLORIDE,003417-91-2,76956,methyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride,COC(=O)[C@H](CC1=CC=C(C=C1)O)N.Cl,"InChI=1S/C10H13NO3.ClH/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7;/h2-5,9,12H,6,11H2,1H3;1H/t9-;/m0./s1",VXYFARNRGZWHTJ-FVGYRXGTSA-N,C10H14ClNO3,231.67,231.066221,,72.6,188,0,3,4,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXY-3-METHOXYBENZYL ALCOHOL,004383-05-5,78088,2-(hydroxymethyl)-6-methoxyphenol,COC1=CC=CC(=C1O)CO,"InChI=1S/C8H10O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-4,9-10H,5H2,1H3",OSZHSESNQIMXMZ-UHFFFAOYSA-N,C8H10O3,154.16,154.0629942,1.2,49.7,116,0,2,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXY-4-METHOXYBENZALDEHYDE,000673-22-3,69600,2-hydroxy-4-methoxybenzaldehyde,COC1=CC(=C(C=C1)C=O)O,"InChI=1S/C8H8O3/c1-11-7-3-2-6(5-9)8(10)4-7/h2-5,10H,1H3",WZUODJNEIXSNEU-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,1.5,46.5,135,0,1,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL 3-METHOXYSALICYLATE,006342-70-7,80651,methyl 2-hydroxy-3-methoxybenzoate,COC1=CC=CC(=C1O)C(=O)OC,"InChI=1S/C9H10O4/c1-12-7-5-3-4-6(8(7)10)9(11)13-2/h3-5,10H,1-2H3",BWRCJLJJIXYLNV-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,2.3,55.8,180,0,1,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DINITRO-5-FLUOROANILINE",000367-81-7,73944,"5-fluoro-2,4-dinitroaniline",C1=C(C(=CC(=C1F)[N+](=O)[O-])[N+](=O)[O-])N,"InChI=1S/C6H4FN3O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H,8H2",RAGRTYREMCPEIV-UHFFFAOYSA-N,C6H4FN3O4,201.11,201.0185838,1.6,118,250,0,1,6,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAMETHYLAMMONIUM BENZOATE,025255-90-7,10888831,tetramethylazanium benzoate,C[N+](C)(C)C.C1=CC=C(C=C1)C(=O)[O-],"InChI=1S/C7H6O2.C4H12N/c8-7(9)6-4-2-1-3-5-6;1-5(2,3)4/h1-5H,(H,8,9);1-4H3/q;+1/p-1",IEVVGBFMAHJELO-UHFFFAOYSA-M,C11H17NO2,195.26,195.1259288,,40.1,117,0,0,2,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXYHIPPURIC ACID,000487-54-7,10253,2-[(2-hydroxybenzoyl)amino]acetic acid,C1=CC=C(C(=C1)C(=O)NCC(=O)O)O,"InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)",ONJSZLXSECQROL-UHFFFAOYSA-N,C9H9NO4,195.17,195.0531578,0.9,86.6,229,0,3,4,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2,2-TRIFLUOROETHYL P-TOLUENESULFONATE",000433-06-7,67942,"2,2,2-trifluoroethyl 4-methylbenzenesulfonate",CC1=CC=C(C=C1)S(=O)(=O)OCC(F)(F)F,"InChI=1S/C9H9F3O3S/c1-7-2-4-8(5-3-7)16(13,14)15-6-9(10,11)12/h2-5H,6H2,1H3",IGKCQDUYZULGBM-UHFFFAOYSA-N,C9H9F3O3S,254.23,254.0224498,2.6,51.8,310,0,0,6,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,6-TRINITROBENZALDEHYDE",000606-34-8,69074,"2,4,6-trinitrobenzaldehyde",C1=C(C=C(C(=C1[N+](=O)[O-])C=O)[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C7H3N3O7/c11-3-5-6(9(14)15)1-4(8(12)13)2-7(5)10(16)17/h1-3H,HWFUMAYINFTNSZ-UHFFFAOYSA-N,C7H3N3O7,241.11,240.9970994,0.2,155,330,0,0,7,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DL-TROPIC ACID,000552-63-6,10726,3-hydroxy-2-phenylpropanoic acid,C1=CC=C(C=C1)C(CO)C(=O)O,"InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)",JACRWUWPXAESPB-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,0.8,57.5,150,0,2,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-BIS(TRIETHOXYSILYL)BENZENE",002615-18-1,11495075,triethoxy-(4-triethoxysilylphenyl)silane,CCO[Si](C1=CC=C(C=C1)[Si](OCC)(OCC)OCC)(OCC)OCC,"InChI=1S/C18H34O6Si2/c1-7-19-25(20-8-2,21-9-3)17-13-15-18(16-14-17)26(22-10-4,23-11-5)24-12-6/h13-16H,7-12H2,1-6H3",YYJNCOSWWOMZHX-UHFFFAOYSA-N,C18H34O6Si2,402.6,402.1893919,,55.4,296,0,0,6,14,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-FLUOROBENZOIC ACID,000445-29-4,9935,2-fluorobenzoic acid,C1=CC=C(C(=C1)C(=O)O)F,"InChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)",NSTREUWFTAOOKS-UHFFFAOYSA-N,C7H5FO2,140.11,140.0273576,1.8,37.3,136,0,1,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-TOLYLTRIMETHOXYSILANE,017873-01-7,2760672,trimethoxy-(4-methylphenyl)silane,CC1=CC=C(C=C1)[Si](OC)(OC)OC,"InChI=1S/C10H16O3Si/c1-9-5-7-10(8-6-9)14(11-2,12-3)13-4/h5-8H,1-4H3",XQEGZYAXBCFSBS-UHFFFAOYSA-N,C10H16O3Si,212.32,212.0868709,,27.7,154,0,0,3,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAETHYLAMMONIUM PARA-TOLUENESULFONATE,000733-44-8,101846,4-methylbenzenesulfonate;tetraethylazanium,CC[N+](CC)(CC)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-],"InChI=1S/C8H20N.C7H8O3S/c1-5-9(6-2,7-3)8-4;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",QKFFSWPNFCXGIQ-UHFFFAOYSA-M,C15H27NO3S,301.4,301.1711649,,65.6,240,0,0,3,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4,5-TRIMETHOXYBENZYL ALCOHOL",003840-31-1,77449,"(3,4,5-trimethoxyphenyl)methanol",COC1=CC(=CC(=C1OC)OC)CO,"InChI=1S/C10H14O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5,11H,6H2,1-3H3",QPHLRCUCFDXGLY-UHFFFAOYSA-N,C10H14O4,198.22,198.0892089,0.6,47.9,148,0,1,4,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHOXYPHENYLBORONIC ACID,005720-07-0,201262,(4-methoxyphenyl)boronic acid,B(C1=CC=C(C=C1)OC)(O)O,"InChI=1S/C7H9BO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3",VOAAEKKFGLPLLU-UHFFFAOYSA-N,C7H9BO3,151.96,152.0644743,,49.7,110,0,2,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(R)-(+)-A-METHOXY-ALPHA-(TRIFLUOROMETHYL)-PHENYLACETIC ACID,020445-31-2,2723917,"(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid",CO[C@](C1=CC=CC=C1)(C(=O)O)C(F)(F)F,"InChI=1S/C10H9F3O3/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15)/t9-/m1/s1",JJYKJUXBWFATTE-SECBINFHSA-N,C10H9F3O3,234.17,234.0503786,2.3,46.5,259,0,1,6,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ALPHA-(1-OXO-2-PROPENYL)-OMEGA-PHENOXY-POLY(OXY-1,2-ETHANEDIYL)",056641-05-5,39485,2-phenoxyethyl prop-2-enoate,C=CC(=O)OCCOC1=CC=CC=C1,"InChI=1S/C11H12O3/c1-2-11(12)14-9-8-13-10-6-4-3-5-7-10/h2-7H,1,8-9H2",RZVINYQDSSQUKO-UHFFFAOYSA-N,C11H12O3,192.21,192.0786442,2.4,35.5,183,0,0,3,6,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,1,0,0
"2,4,6-TRIHYDROXYBENZOIC ACID",000083-30-7,66520,"2,4,6-trihydroxybenzoic acid",C1=C(C=C(C(=C1O)C(=O)O)O)O,"InChI=1S/C7H6O5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H,(H,11,12)",IBHWREHFNDMRPR-UHFFFAOYSA-N,C7H6O5,170.12,170.0215233,1.8,98,169,0,4,5,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-DIMETHOXYPHENYL ACETIC ACID",000093-40-3,7139,"2-(3,4-dimethoxyphenyl)acetic acid",COC1=C(C=C(C=C1)CC(=O)O)OC,"InChI=1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)",WUAXWQRULBZETB-UHFFFAOYSA-N,C10H12O4,196.2,196.0735589,1,55.8,193,0,1,4,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHYLBENZYL ALCOHOL,000589-18-4,11505,(4-methylphenyl)methanol,CC1=CC=C(C=C1)CO,"InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3",KMTDMTZBNYGUNX-UHFFFAOYSA-N,C8H10O,122.16,122.0731649,1.6,20.2,72,0,1,1,1,9,,"423 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BROMO-3-IODOBENZENE,000591-18-4,11561,1-bromo-3-iodobenzene,C1=CC(=CC(=C1)I)Br,InChI=1S/C6H4BrI/c7-5-2-1-3-6(8)4-5/h1-4H,CTPUUDQIXKUAMO-UHFFFAOYSA-N,C6H4BrI,282.9,281.85411,4,0,74,0,0,0,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-HEXYLBENZENE,001077-16-3,14109,hexylbenzene,CCCCCCC1=CC=CC=C1,"InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3",LTEQMZWBSYACLV-UHFFFAOYSA-N,C12H18,162.27,162.1408506,5.5,0,90,0,0,0,5,12,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-BIS(1-METHYLETHENYL)BENZENE",001605-18-1,74148,"1,4-bis(prop-1-en-2-yl)benzene",CC(=C)C1=CC=C(C=C1)C(=C)C,"InChI=1S/C12H14/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-8H,1,3H2,2,4H3",ZENYUPUKNXGVDY-UHFFFAOYSA-N,C12H14,158.24,158.1095504,4.7,0,158,0,0,0,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYL 4-NITROPHENYLACETATE,005445-26-1,79517,ethyl 2-(4-nitrophenyl)acetate,CCOC(=O)CC1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C10H11NO4/c1-2-15-10(12)7-8-3-5-9(6-4-8)11(13)14/h3-6H,2,7H2,1H3",DWDRNKYLWMKWTH-UHFFFAOYSA-N,C10H11NO4,209.2,209.0688078,2.1,72.1,228,0,0,4,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-METHYL-3,5-DINITROBENZOIC ACID",028169-46-2,98824,"2-methyl-3,5-dinitrobenzoic acid",CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O,"InChI=1S/C8H6N2O6/c1-4-6(8(11)12)2-5(9(13)14)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)",CDVNZMKTJIBBBV-UHFFFAOYSA-N,C8H6N2O6,226.14,226.0225859,1.5,129,319,0,1,6,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Methyl 3,5-Dihydroxyphenylacetate",004724-10-1,579787,"methyl 2-(3,5-dihydroxyphenyl)acetate",COC(=O)CC1=CC(=CC(=C1)O)O,"InChI=1S/C9H10O4/c1-13-9(12)4-6-2-7(10)5-8(11)3-6/h2-3,5,10-11H,4H2,1H3",LMLSBPHXMGSGCR-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,1,66.8,170,0,2,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POLY(PENTABROMOPHENYL METHACRYLATE),097889-13-9,87871,"(2,3,4,5,6-pentabromophenyl) 2-methylprop-2-enoate",CC(=C)C(=O)OC1=C(C(=C(C(=C1Br)Br)Br)Br)Br,"InChI=1S/C10H5Br5O2/c1-3(2)10(16)17-9-7(14)5(12)4(11)6(13)8(9)15/h1H2,2H3",OFZRSOGEOFHZKS-UHFFFAOYSA-N,C10H5Br5O2,556.7,555.61654,6.1,26.3,306,0,0,2,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ALPHA-(TRIFLUOROMETHYL)BENZYL ALCOHOL,000340-05-6,95556,"2,2,2-trifluoro-1-phenylethanol",C1=CC=C(C=C1)C(C(F)(F)F)O,"InChI=1S/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H",VNOMEAQPOMDWSR-UHFFFAOYSA-N,C8H7F3O,176.14,176.0448993,2.2,20.2,138,0,1,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2, 4-DIACETYLPHLOROGLUCINOL",002161-86-6,16547,"1-(3-acetyl-2,4,6-trihydroxyphenyl)ethanone",CC(=O)C1=C(C(=C(C=C1O)O)C(=O)C)O,"InChI=1S/C10H10O5/c1-4(11)8-6(13)3-7(14)9(5(2)12)10(8)15/h3,13-15H,1-2H3",PIFFQYJYNWXNGE-UHFFFAOYSA-N,C10H10O5,210.18,210.0528234,1.3,94.8,249,0,3,5,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-BENZYLHYDROXYLAMINE HYDROCHLORIDE,029601-98-7,11332622,N-benzylhydroxylamine;hydrochloride,C1=CC=C(C=C1)CNO.Cl,"InChI=1S/C7H9NO.ClH/c9-8-6-7-4-2-1-3-5-7;/h1-5,8-9H,6H2;1H",YSNXOQGDHGUKCZ-UHFFFAOYSA-N,C7H10ClNO,159.61,159.0450916,,32.3,69,0,3,2,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BROMOMETHYLPHENYLBORONIC ACID,091983-14-1,2773278,[2-(bromomethyl)phenyl]boronic acid,B(C1=CC=CC=C1CBr)(O)O,"InChI=1S/C7H8BBrO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,10-11H,5H2",MYVJCOQGXCONPE-UHFFFAOYSA-N,C7H8BBrO2,214.85,213.98007,,40.5,121,0,2,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BROMO-4-HYDROXYBENZALDEHYDE,002973-78-6,76308,3-bromo-4-hydroxybenzaldehyde,C1=CC(=C(C=C1C=O)Br)O,"InChI=1S/C7H5BrO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H",UOTMHAOCAJROQF-UHFFFAOYSA-N,C7H5BrO2,201.02,199.94729,2,37.3,127,0,1,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-ACETYLPHENYLBORONIC ACID,149104-90-5,3702122,(4-acetylphenyl)boronic acid,B(C1=CC=C(C=C1)C(=O)C)(O)O,"InChI=1S/C8H9BO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5,11-12H,1H3",OBQRODBYVNIZJU-UHFFFAOYSA-N,C8H9BO3,163.97,164.0644743,,57.5,162,0,2,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DIMETHOXYPHENYLBORONIC ACID",192182-54-0,4374257,"(3,5-dimethoxyphenyl)boronic acid",B(C1=CC(=CC(=C1)OC)OC)(O)O,"InChI=1S/C8H11BO4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5,10-11H,1-2H3",XUIURRYWQBBCCK-UHFFFAOYSA-N,C8H11BO4,181.98,182.075039,,58.9,141,0,2,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-ACETYLBENZOIC ACID,000586-89-0,11470,4-acetylbenzoic acid,CC(=O)C1=CC=C(C=C1)C(=O)O,"InChI=1S/C9H8O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3,(H,11,12)",QBHDSQZASIBAAI-UHFFFAOYSA-N,C9H8O3,164.16,164.0473441,1.6,54.4,190,0,1,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-BROMO-2-CHLOROBENZOTRIFLUORIDE,000445-01-2,67959,4-bromo-1-chloro-2-(trifluoromethyl)benzene,C1=CC(=C(C=C1Br)C(F)(F)F)Cl,"InChI=1S/C7H3BrClF3/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H",XGOCKBMEZPNDPJ-UHFFFAOYSA-N,C7H3BrClF3,259.45,257.90587,4.8,0,159,0,0,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(4-BROMOPHENYL)BORONIC ACID,005467-74-3,79599,(4-bromophenyl)boronic acid,B(C1=CC=C(C=C1)Br)(O)O,"InChI=1S/C6H6BBrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H",QBLFZIBJXUQVRF-UHFFFAOYSA-N,C6H6BBrO2,200.83,199.96442,,40.5,102,0,2,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMO-2-CHLOROPHENOL,003964-56-5,19859,4-bromo-2-chlorophenol,C1=CC(=C(C=C1Br)Cl)O,"InChI=1S/C6H4BrClO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H",VIBJPUXLAKVICD-UHFFFAOYSA-N,C6H4BrClO,207.45,205.91341,3.1,20.2,99,0,1,1,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,5-TRIS(BROMOMETHYL)-2,4,6-TRIETHYLBENZENE",181058-08-2,4589352,"1,3,5-tris(bromomethyl)-2,4,6-triethylbenzene",CCC1=C(C(=C(C(=C1CBr)CC)CBr)CC)CBr,"InChI=1S/C15H21Br3/c1-4-10-13(7-16)11(5-2)15(9-18)12(6-3)14(10)8-17/h4-9H2,1-3H3",UMKPSDHZXLYFJF-UHFFFAOYSA-N,C15H21Br3,441,439.91729,6,0,176,0,0,0,6,18,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
TRIMETHOXY(PENTAFLUOROPHENYL)SILANE,223668-64-2,2782640,"trimethoxy-(2,3,4,5,6-pentafluorophenyl)silane",CO[Si](C1=C(C(=C(C(=C1F)F)F)F)F)(OC)OC,"InChI=1S/C9H9F5O3Si/c1-15-18(16-2,17-3)9-7(13)5(11)4(10)6(12)8(9)14/h1-3H3",XFFHTZIRHGKTBQ-UHFFFAOYSA-N,C9H9F5O3Si,288.24,288.0241115,,27.7,257,0,0,8,4,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
(PHENYLMETHOXY)ACETALDEHYDE,060656-87-3,108989,2-phenylmethoxyacetaldehyde,C1=CC=C(C=C1)COCC=O,"InChI=1S/C9H10O2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-6H,7-8H2",NFNOAHXEQXMCGT-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,1.1,26.3,106,0,0,2,4,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIMETHYLBENZALDEHYDE",001123-56-4,583841,"2,6-dimethylbenzaldehyde",CC1=C(C(=CC=C1)C)C=O,"InChI=1S/C9H10O/c1-7-4-3-5-8(2)9(7)6-10/h3-6H,1-2H3",QOJQBWSZHCKOLL-UHFFFAOYSA-N,C9H10O,134.17,134.0731649,2.1,17.1,110,0,0,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIIODO-4-NITROANILINE",005398-27-6,79386,"2,6-diiodo-4-nitroaniline",C1=C(C=C(C(=C1I)N)I)[N+](=O)[O-],"InChI=1S/C6H4I2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2",YPVYMWQYENWFAT-UHFFFAOYSA-N,C6H4I2N2O2,389.92,389.83622,2.4,71.8,173,0,1,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-N-BUTYLBENZENESULFONAMIDE,001135-00-8,2054776,4-butylbenzenesulfonamide,CCCCC1=CC=C(C=C1)S(=O)(=O)N,"InChI=1S/C10H15NO2S/c1-2-3-4-9-5-7-10(8-6-9)14(11,12)13/h5-8H,2-4H2,1H3,(H2,11,12,13)",IWEMSJAOIKQBBZ-UHFFFAOYSA-N,C10H15NO2S,213.3,213.0823499,2.5,68.5,248,0,1,3,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CHLOROBENZYL ALCOHOL,017849-38-6,28810,(2-chlorophenyl)methanol,C1=CC=C(C(=C1)CO)Cl,"InChI=1S/C7H7ClO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2",MBYQPPXEXWRMQC-UHFFFAOYSA-N,C7H7ClO,142.58,142.0185425,1.8,20.2,85,0,1,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-(3,5-DIHYDROXYPHENYL)ETHAN-1-ONE",051863-60-6,103993,"1-(3,5-dihydroxyphenyl)ethanone",CC(=O)C1=CC(=CC(=C1)O)O,"InChI=1S/C8H8O3/c1-5(9)6-2-7(10)4-8(11)3-6/h2-4,10-11H,1H3",WQXWIKCZNIGMAP-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,0.9,57.5,145,0,2,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-BROMO-N,N-BIS(TRIMETHYLSILYL)ANILINE",005089-33-8,4092620,"4-bromo-N,N-bis(trimethylsilyl)aniline",C[Si](C)(C)N(C1=CC=C(C=C1)Br)[Si](C)(C)C,"InChI=1S/C12H22BrNSi2/c1-15(2,3)14(16(4,5)6)12-9-7-11(13)8-10-12/h7-10H,1-6H3",YJYMZGDBOMZWSR-UHFFFAOYSA-N,C12H22BrNSi2,316.38,315.04742,,3.2,210,0,0,1,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-AMINO-3,6-DIFLUOROBENZONITRILE",190011-81-5,45090591,"2-amino-3,6-difluorobenzonitrile",C1=CC(=C(C(=C1F)C#N)N)F,"InChI=1S/C7H4F2N2/c8-5-1-2-6(9)7(11)4(5)3-10/h1-2H,11H2",ZPQFHGOBMGGBEP-UHFFFAOYSA-N,C7H4F2N2,154.12,154.0342545,1.7,49.8,186,0,1,4,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-(3,4-DIHYDROXYPHENYL)PROP-2-ENAL",141632-15-7,5281871,"(E)-3-(3,4-dihydroxyphenyl)prop-2-enal",C1=CC(=C(C=C1/C=C/C=O)O)O,"InChI=1S/C9H8O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-6,11-12H/b2-1+",AXMVYSVVTMKQSL-OWOJBTEDSA-N,C9H8O3,164.16,164.0473441,1.1,57.5,177,0,2,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2'-HYDROXYPROPIOPHENONE,000610-99-1,69133,1-(2-hydroxyphenyl)propan-1-one,CCC(=O)C1=CC=CC=C1O,"InChI=1S/C9H10O2/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6,11H,2H2,1H3",KDUWXMIHHIVXER-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,2.5,37.3,142,0,1,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(4-FORMYL-2-METHOXYPHENYL)BORONIC ACID,1028479-47-1,57497264,(4-formyl-2-methoxyphenyl)boronic acid,B(C1=C(C=C(C=C1)C=O)OC)(O)O,"InChI=1S/C8H9BO4/c1-13-8-4-6(5-10)2-3-7(8)9(11)12/h2-5,11-12H,1H3",PQECZCKVUFXDGP-UHFFFAOYSA-N,C8H9BO4,179.97,180.0593889,,66.8,174,0,2,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3,5,6-TETRABROMOHYDROQUINONE",002641-89-6,75840,"2,3,5,6-tetrabromobenzene-1,4-diol",C1(=C(C(=C(C(=C1Br)Br)O)Br)Br)O,InChI=1S/C6H2Br4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H,DTFQULSULHRJOA-UHFFFAOYSA-N,C6H2Br4O2,425.69,425.67473,4,40.5,134,0,2,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-CARBOXY-3-FLUOROPHENYLBORONIC ACID,120153-08-4,2763201,4-borono-2-fluorobenzoic acid,B(C1=CC(=C(C=C1)C(=O)O)F)(O)O,"InChI=1S/C7H6BFO4/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3,12-13H,(H,10,11)",CZDWJVSOQOMYGC-UHFFFAOYSA-N,C7H6BFO4,183.93,184.034317,,77.8,199,0,3,5,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-HYDROXY-1,3-BENZENEDICARBOXALDEHYDE",003328-70-9,165106,"4-hydroxybenzene-1,3-dicarbaldehyde",C1=CC(=C(C=C1C=O)C=O)O,"InChI=1S/C8H6O3/c9-4-6-1-2-8(11)7(3-6)5-10/h1-5,11H",FEUATHOQKVGPEK-UHFFFAOYSA-N,C8H6O3,150.13,150.031694,1.3,54.4,155,0,1,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BROMO-3-NITROBENZALDEHYDE,163596-75-6,808792,4-bromo-3-nitrobenzaldehyde,C1=CC(=C(C=C1C=O)[N+](=O)[O-])Br,InChI=1S/C7H4BrNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H,SAFSVELFSYQXOV-UHFFFAOYSA-N,C7H4BrNO3,230.02,228.93746,2,62.9,192,0,0,3,1,12,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
PENTAFLUOROPHEN(OL-D),105596-34-7,16212660,"1-deuteriooxy-2,3,4,5,6-pentafluorobenzene",[2H]OC1=C(C(=C(C(=C1F)F)F)F)F,InChI=1S/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H/i/hD,XBNGYFFABRKICK-DYCDLGHISA-N,C6HF5O,185.07,185.0010322,3.2,20.2,150,0,1,6,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PERFLUOROPHENYL ACRYLATE,071195-85-2,2775973,"(2,3,4,5,6-pentafluorophenyl) prop-2-enoate",C=CC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F,"InChI=1S/C9H3F5O2/c1-2-3(15)16-9-7(13)5(11)4(10)6(12)8(9)14/h2H,1H2",RFOWDPMCXHVGET-UHFFFAOYSA-N,C9H3F5O2,238.11,238.0053201,2.8,26.3,269,0,0,7,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(TRIMETHYLSILYLETHYNYL)BENZALDEHYDE,077123-57-0,2771643,4-(2-trimethylsilylethynyl)benzaldehyde,C[Si](C)(C)C#CC1=CC=C(C=C1)C=O,"InChI=1S/C12H14OSi/c1-14(2,3)9-8-11-4-6-12(10-13)7-5-11/h4-7,10H,1-3H3",UZQDUXAJFTWMDT-UHFFFAOYSA-N,C12H14OSi,202.32,202.0813916,,17.1,255,0,0,1,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
3-VINYLBENZALDEHYDE,019955-99-8,39390,3-ethenylbenzaldehyde,C=CC1=CC(=CC=C1)C=O,"InChI=1S/C9H8O/c1-2-8-4-3-5-9(6-8)7-10/h2-7H,1H2",CATOVPRCMWIZLR-UHFFFAOYSA-N,C9H8O,132.16,132.0575149,2.4,17.1,129,0,0,1,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHYL 3,4-DIHYDROXYBENZOATE",003943-89-3,77547,"ethyl 3,4-dihydroxybenzoate",CCOC(=O)C1=CC(=C(C=C1)O)O,"InChI=1S/C9H10O4/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5,10-11H,2H2,1H3",KBPUBCVJHFXPOC-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,1.8,66.8,180,0,2,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzyl alcohol, 3,4-dihydroxy-alpha-((isopropylamino)methyl)-, hydrochloride",000051-30-9,5807,"4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol;hydrochloride",CC(C)NCC(C1=CC(=C(C=C1)O)O)O.Cl,"InChI=1S/C11H17NO3.ClH/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;/h3-5,7,11-15H,6H2,1-2H3;1H",IROWCYIEJAOFOW-UHFFFAOYSA-N,C11H18ClNO3,247.72,247.0975211,,72.7,187,0,5,4,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 2,4-DIMETHYL-",000088-61-9,6938,"2,4-dimethylbenzenesulfonic acid",CC1=CC(=C(C=C1)S(=O)(=O)O)C,"InChI=1S/C8H10O3S/c1-6-3-4-8(7(2)5-6)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)",CHZLVSBMXZSPNN-UHFFFAOYSA-N,C8H10O3S,186.23,186.0350654,1.4,62.8,240,0,1,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 3-(3,4,5-TRIMETHOXYPHENYL)-",000090-50-6,735755,"(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid",COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)O,"InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+",YTFVRYKNXDADBI-SNAWJCMRSA-N,C12H14O5,238.24,238.0841235,1.4,65,262,0,1,5,5,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"BENZENE, [2-(DIMETHOXYMETHYL)-1-HEPTENYL]-",000091-87-2,62337,2-(dimethoxymethyl)hept-1-enylbenzene,CCCCCC(=CC1=CC=CC=C1)C(OC)OC,"InChI=1S/C16H24O2/c1-4-5-7-12-15(16(17-2)18-3)13-14-10-8-6-9-11-14/h6,8-11,13,16H,4-5,7,12H2,1-3H3",QCHZKUPVENJLAW-UHFFFAOYSA-N,C16H24O2,248.36,248.17763,4.9,18.5,225,0,0,2,8,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANENITRILE, 3-[(2-HYDROXYETHYL)PHENYLAMINO]-",000092-64-8,113349,3-[N-(2-hydroxyethyl)anilino]propanenitrile,C1=CC=C(C=C1)N(CCC#N)CCO,"InChI=1S/C11H14N2O/c12-7-4-8-13(9-10-14)11-5-2-1-3-6-11/h1-3,5-6,14H,4,8-10H2",WZJJWQVBLSPALW-UHFFFAOYSA-N,C11H14N2O,190.24,190.1106131,1.4,47.3,191,0,1,3,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 4-AMINO-3-METHYL-",000098-33-9,7384,4-amino-3-methylbenzenesulfonic acid,CC1=C(C=CC(=C1)S(=O)(=O)O)N,"InChI=1S/C7H9NO3S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,8H2,1H3,(H,9,10,11)",WQTCZINVPXJNEL-UHFFFAOYSA-N,C7H9NO3S,187.22,187.0303143,0,88.8,244,0,2,4,1,12,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"BUTANAMIDE, N-(4-CHLOROPHENYL)-3-OXO-",000101-92-8,7587,N-(4-chlorophenyl)-3-oxobutanamide,CC(=O)CC(=O)NC1=CC=C(C=C1)Cl,"InChI=1S/C10H10ClNO2/c1-7(13)6-10(14)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,14)",JMRJWEJJUKUBEA-UHFFFAOYSA-N,C10H10ClNO2,211.64,211.0400063,2.1,46.2,222,0,1,2,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ACETIC ACID, [(4-AMINOPHENYL)AMINO]OXO-",000103-92-4,66900,2-(4-aminoanilino)-2-oxoacetic acid,C1=CC(=CC=C1N)NC(=O)C(=O)O,"InChI=1S/C8H8N2O3/c9-5-1-3-6(4-2-5)10-7(11)8(12)13/h1-4H,9H2,(H,10,11)(H,12,13)",HVAINFDIRWAPQM-UHFFFAOYSA-N,C8H8N2O3,180.16,180.0534921,0.4,92.4,209,0,3,4,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OCTADECANAMIDE, N-(4-HYDROXYPHENYL)-",000103-99-1,7689,N-(4-hydroxyphenyl)octadecanamide,CCCCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)O,"InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)25-22-18-20-23(26)21-19-22/h18-21,26H,2-17H2,1H3,(H,25,27)",YASWBJXTHOXPGK-UHFFFAOYSA-N,C24H41NO2,375.6,375.3137296,9.4,49.3,337,0,2,2,17,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENETHIOL, 2,6-DIMETHYL-",000118-72-9,61045,"2,6-dimethylbenzenethiol",CC1=C(C(=CC=C1)C)S,"InChI=1S/C8H10S/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3",QCLJODDRBGKIRW-UHFFFAOYSA-N,C8H10S,138.23,138.0503215,2.8,1,80,0,1,1,0,9,,122.00 °C. @ 50.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BENZENEDISULFONIC ACID, 4-METHYL-",000121-04-0,67129,"4-methylbenzene-1,3-disulfonic acid",CC1=C(C=C(C=C1)S(=O)(=O)O)S(=O)(=O)O,"InChI=1S/C7H8O6S2/c1-5-2-3-6(14(8,9)10)4-7(5)15(11,12)13/h2-4H,1H3,(H,8,9,10)(H,11,12,13)",LTYBYSFEGHYUDB-UHFFFAOYSA-N,C7H8O6S2,252.3,251.9762303,-0.2,126,411,0,2,6,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONAMIDE, 3-NITRO-",000121-52-8,67138,3-nitrobenzenesulfonamide,C1=CC(=CC(=C1)S(=O)(=O)N)[N+](=O)[O-],"InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H,(H2,7,11,12)",TXTQURPQLVHJRE-UHFFFAOYSA-N,C6H6N2O4S,202.19,202.0048279,0.6,114,289,0,1,5,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-[(4-AMINOPHENYL)SULFONYL]-, MONOSODIUM SALT",000127-56-0,4022878,sodium acetyl-(4-aminophenyl)sulfonylazanide,CC(=O)[N-]S(=O)(=O)C1=CC=C(C=C1)N.[Na+],"InChI=1S/C8H10N2O3S.Na/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;/h2-5H,9H2,1H3,(H,10,11);/q;+1/p-1",PQMSFAORUFMASU-UHFFFAOYSA-M,C8H9N2NaO3S,236.23,236.0231576,,86.6,304,0,1,5,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETIC ACID, 3-(TRIFLUOROMETHYL)-",000351-35-9,67695,2-[3-(trifluoromethyl)phenyl]acetic acid,C1=CC(=CC(=C1)C(F)(F)F)CC(=O)O,"InChI=1S/C9H7F3O2/c10-9(11,12)7-3-1-2-6(4-7)5-8(13)14/h1-4H,5H2,(H,13,14)",BLXXCCIBGGBDHI-UHFFFAOYSA-N,C9H7F3O2,204.15,204.039814,2.6,37.3,213,0,1,5,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 3-FLUORO-, ETHYL ESTER",000451-02-5,67975,ethyl 3-fluorobenzoate,CCOC(=O)C1=CC(=CC=C1)F,"InChI=1S/C9H9FO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3",SMMIKBXLEWTSJD-UHFFFAOYSA-N,C9H9FO2,168.16,168.0586577,2.6,26.3,159,0,0,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-(3-CHLOROPHENYL)-",000588-07-8,11493,N-(3-chlorophenyl)acetamide,CC(=O)NC1=CC(=CC=C1)Cl,"InChI=1S/C8H8ClNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)",MUUQHCOAOLLHIL-UHFFFAOYSA-N,C8H8ClNO,169.61,169.0294416,2.1,29.1,149,0,1,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 2,5-DIMETHYL-",000609-54-1,11868,"2,5-dimethylbenzenesulfonic acid",CC1=CC(=C(C=C1)C)S(=O)(=O)O,"InChI=1S/C8H10O3S/c1-6-3-4-7(2)8(5-6)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)",IRLYGRLEBKCYPY-UHFFFAOYSA-N,C8H10O3S,186.23,186.0350654,1.4,62.8,240,0,1,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-BENZENEDICARBOXYLIC ACID, 2-NITRO-",000610-29-7,69122,2-nitroterephthalic acid,C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O,"InChI=1S/C8H5NO6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)",QUMITRDILMWWBC-UHFFFAOYSA-N,C8H5NO6,211.13,211.0116869,1,120,296,0,2,6,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2,5-DIMETHYL-",000610-72-0,11892,"2,5-dimethylbenzoic acid",CC1=CC(=C(C=C1)C)C(=O)O,"InChI=1S/C9H10O2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3,(H,10,11)",XZRHNAFEYMSXRG-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,2.2,37.3,154,0,1,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 3-NITRO-, HYDRAZIDE",000618-94-0,3291498,3-nitrobenzohydrazide,C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NN,"InChI=1S/C7H7N3O3/c8-9-7(11)5-2-1-3-6(4-5)10(12)13/h1-4H,8H2,(H,9,11)",NQEWXLVDAVTOHM-UHFFFAOYSA-N,C7H7N3O3,181.15,181.0487411,0.2,101,214,0,2,4,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4-Benzenetriol, 5-(2-aminoethyl)-, hydrobromide",000636-00-0,176170,"5-(2-aminoethyl)benzene-1,2,4-triol;hydrobromide",C1=C(C(=CC(=C1O)O)O)CCN.Br,"InChI=1S/C8H11NO3.BrH/c9-2-1-5-3-7(11)8(12)4-6(5)10;/h3-4,10-12H,1-2,9H2;1H",MLACDGUOKDOLGC-UHFFFAOYSA-N,C8H12BrNO3,250.09,249.00006,,86.7,142,0,5,4,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"UREA, (3-HYDROXYPHENYL)-",000701-82-6,12796,(3-hydroxyphenyl)urea,C1=CC(=CC(=C1)O)NC(=O)N,"InChI=1S/C7H8N2O2/c8-7(11)9-5-2-1-3-6(10)4-5/h1-4,10H,(H3,8,9,11)",IPRCBIWIPMJXIK-UHFFFAOYSA-N,C7H8N2O2,152.15,152.0585775,0.2,75.4,149,0,3,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEPROPANOIC ACID, 4-NITRO-.BETA.-OXO-, ETHYL ESTER",000838-57-3,13281,ethyl 3-(4-nitrophenyl)-3-oxopropanoate,CCOC(=O)CC(=O)C1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C11H11NO5/c1-2-17-11(14)7-10(13)8-3-5-9(6-4-8)12(15)16/h3-6H,2,7H2,1H3",NGRXSVFCLHVGKU-UHFFFAOYSA-N,C11H11NO5,237.21,237.0637225,1.7,89.2,301,0,0,5,5,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANOIC ACID, 2-PHENOXY-",000940-31-8,13658,2-phenoxypropanoic acid,CC(C(=O)O)OC1=CC=CC=C1,"InChI=1S/C9H10O3/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)",SXERGJJQSKIUIC-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.7,46.5,150,0,1,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-HYDROXY-, HEPTYL ESTER",001085-12-7,14138,heptyl 4-hydroxybenzoate,CCCCCCCOC(=O)C1=CC=C(C=C1)O,"InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10,15H,2-6,11H2,1H3",ZTJORNVITHUQJA-UHFFFAOYSA-N,C14H20O3,236.31,236.1412445,4.8,46.5,208,0,1,3,8,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 2-IODO-1,4-DIMETHYL-",001122-42-5,70731,"2-iodo-1,4-dimethylbenzene",CC1=CC(=C(C=C1)C)I,"InChI=1S/C8H9I/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3",WYZVNUSNUCABRF-UHFFFAOYSA-N,C8H9I,232.06,231.9749,3.3,0,90,0,0,0,0,9,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENAL, 3-(4-NITROPHENYL)-",001734-79-8,5354135,(E)-3-(4-nitrophenyl)prop-2-enal,C1=CC(=CC=C1/C=C/C=O)[N+](=O)[O-],InChI=1S/C9H7NO3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1-7H/b2-1+,ALGQVMMYDWQDEC-OWOJBTEDSA-N,C9H7NO3,177.16,177.0425931,1.5,62.9,211,0,0,3,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENAMINE, 4-BROMO-N,N-DIETHYL-",002052-06-4,16328,"4-bromo-N,N-diethylaniline",CCN(CC)C1=CC=C(C=C1)Br,"InChI=1S/C10H14BrN/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3",NGYMZFJVHHKJQR-UHFFFAOYSA-N,C10H14BrN,228.13,227.03096,4,3.2,115,0,0,1,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETALDEHYDE, PHENOXY-",002120-70-9,75033,2-phenoxyacetaldehyde,C1=CC=C(C=C1)OCC=O,"InChI=1S/C8H8O2/c9-6-7-10-8-4-2-1-3-5-8/h1-6H,7H2",XFFILAFLGDUMBF-UHFFFAOYSA-N,C8H8O2,136.15,136.0524295,1.8,26.3,95,0,0,2,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEACETIC ACID, .ALPHA.-METHYL-, ETHYL ESTER",002510-99-8,99643,ethyl 2-phenylpropanoate,CCOC(=O)C(C)C1=CC=CC=C1,"InChI=1S/C11H14O2/c1-3-13-11(12)9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3",UTUVIKZNQWNGIM-UHFFFAOYSA-N,C11H14O2,178.23,178.0993797,2.7,26.3,159,0,0,2,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOIC ACID, 2,4,6-TRIHYDROXY-, METHYL ESTER",003147-39-5,76600,"methyl 2,4,6-trihydroxybenzoate",COC(=O)C1=C(C=C(C=C1O)O)O,"InChI=1S/C8H8O5/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3,9-11H,1H3",AQDIJIAUYXOCGX-UHFFFAOYSA-N,C8H8O5,184.15,184.0371734,1.3,87,181,0,3,5,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"PHENOL, 3-METHYL-5-(1-METHYLETHYL)-",003228-03-3,72855,3-methyl-5-propan-2-ylphenol,CC1=CC(=CC(=C1)O)C(C)C,"InChI=1S/C10H14O/c1-7(2)9-4-8(3)5-10(11)6-9/h4-7,11H,1-3H3",ZDUIHRJGDMTBEX-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,3.1,20.2,120,0,1,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-PENTANEDIONE, 1-PHENYL-",003318-61-4,18723,"1-phenylpentane-2,4-dione",CC(=O)CC(=O)CC1=CC=CC=C1,"InChI=1S/C11H12O2/c1-9(12)7-11(13)8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3",NROOHYGFTHTDFF-UHFFFAOYSA-N,C11H12O2,176.21,176.0837296,1.3,34.1,190,0,0,2,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, PHENOXY-, SODIUM SALT",003598-16-1,23687423,sodium 2-phenoxyacetate,C1=CC=C(C=C1)OCC(=O)[O-].[Na+],"InChI=1S/C8H8O3.Na/c9-8(10)6-11-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1",WPTJBFNYRRZIDZ-UHFFFAOYSA-M,C8H7NaO3,174.13,174.0292884,,49.4,132,0,0,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 5-CHLORO-2-HYDROXY-, METHYL ESTER",004068-78-4,77684,methyl 5-chloro-2-hydroxybenzoate,COC(=O)C1=C(C=CC(=C1)Cl)O,"InChI=1S/C8H7ClO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3",KJWHRMZKJXOWFC-UHFFFAOYSA-N,C8H7ClO3,186.59,186.0083718,3.6,46.5,172,0,1,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BENZENEDIAMINE, 4-CHLORO-",005131-60-2,21209,"4-chlorobenzene-1,3-diamine",C1=CC(=C(C=C1N)N)Cl,"InChI=1S/C6H7ClN2/c7-5-2-1-4(8)3-6(5)9/h1-3H,8-9H2",ZWUBBMDHSZDNTA-UHFFFAOYSA-N,C6H7ClN2,142.58,142.0297759,0.8,52,97,0,2,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEMETHANAMINIUM, N-ETHYL-N,N-DIMETHYL-, CHLORIDE",005197-80-8,78872,benzyl-ethyl-dimethylazanium chloride,CC[N+](C)(C)CC1=CC=CC=C1.[Cl-],"InChI=1S/C11H18N.ClH/c1-4-12(2,3)10-11-8-6-5-7-9-11;/h5-9H,4,10H2,1-3H3;1H/q+1;/p-1",IUHDTQIYNQQIBP-UHFFFAOYSA-M,C11H18ClN,199.72,199.1127773,,0,123,0,0,1,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,4-BENZENEDICARBOXYLIC ACID, 2-NITRO-, DIMETHYL ESTER",005292-45-5,21364,"dimethyl 2-nitrobenzene-1,4-dicarboxylate",COC(=O)C1=CC(=C(C=C1)C(=O)OC)[N+](=O)[O-],"InChI=1S/C10H9NO6/c1-16-9(12)6-3-4-7(10(13)17-2)8(5-6)11(14)15/h3-5H,1-2H3",PAYWCKGMOYQZAW-UHFFFAOYSA-N,C10H9NO6,239.18,239.042987,1.6,98.4,323,0,0,6,4,17,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(4-METHYL-3-NITROPHENYL)-",005333-27-7,79246,1-(4-methyl-3-nitrophenyl)ethanone,CC1=C(C=C(C=C1)C(=O)C)[N+](=O)[O-],"InChI=1S/C9H9NO3/c1-6-3-4-8(7(2)11)5-9(6)10(12)13/h3-5H,1-2H3",YRBBMDOBWRUMEZ-UHFFFAOYSA-N,C9H9NO3,179.17,179.0582431,2.1,62.9,221,0,0,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-(DIETHYLAMINO)-",005429-28-7,79480,4-(diethylamino)benzoic acid,CCN(CC)C1=CC=C(C=C1)C(=O)O,"InChI=1S/C11H15NO2/c1-3-12(4-2)10-7-5-9(6-8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14)",LNYTUARMNSFFBE-UHFFFAOYSA-N,C11H15NO2,193.24,193.1102787,2.3,40.5,182,0,1,3,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 3-METHYL-2-NITRO-, METHYL ESTER",005471-82-9,79621,methyl 3-methyl-2-nitrobenzoate,CC1=C(C(=CC=C1)C(=O)OC)[N+](=O)[O-],"InChI=1S/C9H9NO4/c1-6-4-3-5-7(9(11)14-2)8(6)10(12)13/h3-5H,1-2H3",NJHDBIXFFZVJGZ-UHFFFAOYSA-N,C9H9NO4,195.17,195.0531578,2,72.1,235,0,0,4,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BENZENEDICARBOXYLIC ACID, 4-HYDROXY-, DIMETHYL ESTER",005985-24-0,80087,"dimethyl 4-hydroxybenzene-1,3-dicarboxylate",COC(=O)C1=CC(=C(C=C1)O)C(=O)OC,"InChI=1S/C10H10O5/c1-14-9(12)6-3-4-8(11)7(5-6)10(13)15-2/h3-5,11H,1-2H3",ALBUJVBOIXVVLS-UHFFFAOYSA-N,C10H10O5,210.18,210.0528234,2.2,72.8,250,0,1,5,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1,4-BIS(CHLOROMETHYL)-2,5-DIMETHYL-",006298-72-2,80530,"1,4-bis(chloromethyl)-2,5-dimethylbenzene",CC1=CC(=C(C=C1CCl)C)CCl,"InChI=1S/C10H12Cl2/c1-7-3-10(6-12)8(2)4-9(7)5-11/h3-4H,5-6H2,1-2H3",UYRPOMMBPQHVMN-UHFFFAOYSA-N,C10H12Cl2,203.1,202.0316058,3.4,0,120,0,0,0,2,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-[3-(DIETHYLAMINO)PHENYL]-",006375-46-8,80778,N-[3-(diethylamino)phenyl]acetamide,CCN(CC)C1=CC=CC(=C1)NC(=O)C,"InChI=1S/C12H18N2O/c1-4-14(5-2)12-8-6-7-11(9-12)13-10(3)15/h6-9H,4-5H2,1-3H3,(H,13,15)",FPUKYOSOAAPHTN-UHFFFAOYSA-N,C12H18N2O,206.28,206.1419132,2,32.3,202,0,1,2,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2-CHLORO-4-METHYL-",006640-27-3,14851,2-chloro-4-methylphenol,CC1=CC(=C(C=C1)O)Cl,"InChI=1S/C7H7ClO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3",AQJFATAFTQCRGC-UHFFFAOYSA-N,C7H7ClO,142.58,142.0185425,2.4,20.2,94,0,1,1,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 1-CHLORO-2,5-DIMETHOXY-4-NITRO-",006940-53-0,81362,"1-chloro-2,5-dimethoxy-4-nitrobenzene",COC1=CC(=C(C=C1[N+](=O)[O-])OC)Cl,"InChI=1S/C8H8ClNO4/c1-13-7-4-6(10(11)12)8(14-2)3-5(7)9/h3-4H,1-2H3",ORLPGMKKCAEWOW-UHFFFAOYSA-N,C8H8ClNO4,217.6,217.0141854,2.3,64.3,208,0,0,4,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BENZENEDIMETHANETHIOL, 4,5-DIMETHYL-",010230-61-2,82471,"[4,5-dimethyl-2-(sulfanylmethyl)phenyl]methanethiol",CC1=CC(=C(C=C1C)CS)CS,"InChI=1S/C10H14S2/c1-7-3-9(5-11)10(6-12)4-8(7)2/h3-4,11-12H,5-6H2,1-2H3",NNGQXIUDFKIVKI-UHFFFAOYSA-N,C10H14S2,198.4,198.0536928,2.8,2,120,0,2,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOIC ACID, OCTADECYL ESTER",010578-34-4,82737,octadecyl benzoate,CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1,"InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-25(26)24-21-18-17-19-22-24/h17-19,21-22H,2-16,20,23H2,1H3",KPWVFNOPNOTYNJ-UHFFFAOYSA-N,C25H42O2,374.6,374.3184806,11.1,26.3,320,0,0,2,19,27,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANOL, 2-[(4-NITROPHENYL)THIO]-",013287-76-8,83307,2-(4-nitrophenyl)sulfanylethanol,C1=CC(=CC=C1[N+](=O)[O-])SCCO,"InChI=1S/C8H9NO3S/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4,10H,5-6H2",RVYZERYSWJUUJY-UHFFFAOYSA-N,C8H9NO3S,199.23,199.0303143,1.6,91.4,163,0,1,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-(2-HYDROXY-4-METHYLPHENYL)-",013429-10-2,83437,N-(2-hydroxy-4-methylphenyl)acetamide,CC1=CC(=C(C=C1)NC(=O)C)O,"InChI=1S/C9H11NO2/c1-6-3-4-8(9(12)5-6)10-7(2)11/h3-5,12H,1-2H3,(H,10,11)",HTVPAACTHAQQAS-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,1.4,49.3,170,0,2,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 4-DODECYL-, POTASSIUM SALT",014564-74-0,23672299,potassium 4-dodecylbenzenesulfonate,CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[K+],"InChI=1S/C18H30O3S.K/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;/h13-16H,2-12H2,1H3,(H,19,20,21);/q;+1/p-1",CVZUNXUUYQKGKS-UHFFFAOYSA-M,C18H29KO3S,364.6,364.1474474,,65.6,357,0,0,3,12,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1-(HEXYLOXY)-4-NITRO-",015440-98-9,84912,1-hexoxy-4-nitrobenzene,CCCCCCOC1=CC=C(C=C1)[N+](=O)[O-],"InChI=1S/C12H17NO3/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9H,2-5,10H2,1H3",VLMYJULPWGTTAV-UHFFFAOYSA-N,C12H17NO3,223.27,223.1208434,4.6,55.1,195,0,0,3,6,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 3-[4-(ACETYLOXY)PHENYL]-",015486-19-8,5373941,(E)-3-(4-acetyloxyphenyl)prop-2-enoic acid,CC(=O)OC1=CC=C(C=C1)/C=C/C(=O)O,"InChI=1S/C11H10O4/c1-8(12)15-10-5-2-9(3-6-10)4-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-4+",BYHBHNKBISXCEP-QPJJXVBHSA-N,C11H10O4,206.19,206.0579088,1.6,63.6,262,0,1,4,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, [(TRIBROMOMETHYL)SULFONYL]-",017025-47-7,86912,tribromomethylsulfonylbenzene,C1=CC=C(C=C1)S(=O)(=O)C(Br)(Br)Br,"InChI=1S/C7H5Br3O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5H",DWWMSEANWMWMCB-UHFFFAOYSA-N,C7H5Br3O2S,392.89,391.75399,3.9,42.5,256,0,0,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEMETHANAMINIUM, N,N-DIETHYL-N-(2-HYDROXYETHYL)-, CHLORIDE",019493-25-5,88091,benzyl-diethyl-(2-hydroxyethyl)azanium chloride,CC[N+](CC)(CCO)CC1=CC=CC=C1.[Cl-],"InChI=1S/C13H22NO.ClH/c1-3-14(4-2,10-11-15)12-13-8-6-5-7-9-13;/h5-9,15H,3-4,10-12H2,1-2H3;1H/q+1;/p-1",MTIWHYTVKBFFOH-UHFFFAOYSA-M,C13H22ClNO,243.77,243.138992,,20.2,160,0,1,2,6,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 2-(1,1-DIMETHYLETHYL)-1,4-DIMETHOXY-",021112-37-8,88792,"2-tert-butyl-1,4-dimethoxybenzene",CC(C)(C)C1=C(C=CC(=C1)OC)OC,"InChI=1S/C12H18O2/c1-12(2,3)10-8-9(13-4)6-7-11(10)14-5/h6-8H,1-5H3",ALVJDUNBMKMTDC-UHFFFAOYSA-N,C12H18O2,194.27,194.1306798,3.5,18.5,172,0,0,2,3,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENE, 1,2,4,5-TETRABROMO-3,6-DIMETHYL-",023488-38-2,31952,"1,2,4,5-tetrabromo-3,6-dimethylbenzene",CC1=C(C(=C(C(=C1Br)Br)C)Br)Br,InChI=1S/C8H6Br4/c1-3-5(9)7(11)4(2)8(12)6(3)10/h1-2H3,RXKOKVQKECXYOT-UHFFFAOYSA-N,C8H6Br4,421.75,421.7162,5.4,0,127,0,0,0,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Serine, 3-(3,4-dihydroxyphenyl)-, L-threo-",023651-95-8,92974,"(2S,3R)-2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid",C1=CC(=C(C=C1[C@H]([C@@H](C(=O)O)N)O)O)O,"InChI=1S/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8+/m0/s1",QXWYKJLNLSIPIN-JGVFFNPUSA-N,C9H11NO5,213.19,213.0637225,-3.2,124,235,0,5,6,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2-AMINO-5-CHLORO-",028443-50-7,91591,2-amino-5-chlorophenol,C1=CC(=C(C=C1Cl)O)N,"InChI=1S/C6H6ClNO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H,8H2",FZCQMIRJCGWWCL-UHFFFAOYSA-N,C6H6ClNO,143.57,143.0137915,1.8,46.3,99,0,2,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, NONADECYL-",029136-19-4,94400,nonadecylbenzene,CCCCCCCCCCCCCCCCCCCC1=CC=CC=C1,"InChI=1S/C25H44/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-23-20-18-21-24-25/h18,20-21,23-24H,2-17,19,22H2,1H3",SHWJJBRTHGGZBE-UHFFFAOYSA-N,C25H44,344.6,344.3443014,12.6,0,238,0,0,0,18,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENE, 2,4-DIBROMO-1-METHYL-",031543-75-6,94421,"2,4-dibromo-1-methylbenzene",CC1=C(C=C(C=C1)Br)Br,"InChI=1S/C7H6Br2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3",GHWYNNFPUGEYEM-UHFFFAOYSA-N,C7H6Br2,249.93,249.88158,3.7,0,92,0,0,0,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BENZENEDISULFONIC ACID, 4-FORMYL-, DISODIUM SALT",033513-44-9,169512,"disodium;4-formylbenzene-1,3-disulfonate",C1=CC(=C(C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])C=O.[Na+].[Na+],"InChI=1S/C7H6O7S2.2Na/c8-4-5-1-2-6(15(9,10)11)3-7(5)16(12,13)14;;/h1-4H,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2",UUKHCUPMVISNFW-UHFFFAOYSA-L,C7H4Na2O7S2,310.2,309.9193834,,148,425,0,0,7,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, 3-(1,1,2,2-TETRAFLUOROETHOXY)-",035295-35-3,118803,"3-(1,1,2,2-tetrafluoroethoxy)benzaldehyde",C1=CC(=CC(=C1)OC(C(F)F)(F)F)C=O,"InChI=1S/C9H6F4O2/c10-8(11)9(12,13)15-7-3-1-2-6(4-7)5-14/h1-5,8H",LAFOZKQZOGJYKC-UHFFFAOYSA-N,C9H6F4O2,222.14,222.0303921,3,26.3,220,0,0,6,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-(AMINOSULFONYL)-, MONOSODIUM SALT",037558-01-3,69436,2-sulfamoylbenzoic acid,C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)N,"InChI=1S/C7H7NO4S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)",KDNIOKSLVIGAAN-UHFFFAOYSA-N,C7H7NO4S,201.2,201.0095789,-0.4,106,292,0,2,5,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEACETIC ACID, 3,4-DIMETHOXY-.ALPHA.-OXO-, METHYL ESTER",038209-58-4,1712324,"methyl 2-(3,4-dimethoxyphenyl)-2-oxoacetate",COC1=C(C=C(C=C1)C(=O)C(=O)OC)OC,"InChI=1S/C11H12O5/c1-14-8-5-4-7(6-9(8)15-2)10(12)11(13)16-3/h4-6H,1-3H3",RRANFHUAXGKYBS-UHFFFAOYSA-N,C11H12O5,224.21,224.0684735,1.8,61.8,263,0,0,5,5,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 4-(OCTYLOXY)-",039905-45-8,123490,4-octoxyaniline,CCCCCCCCOC1=CC=C(C=C1)N,"InChI=1S/C14H23NO/c1-2-3-4-5-6-7-12-16-14-10-8-13(15)9-11-14/h8-11H,2-7,12,15H2,1H3",ACYGZCHBIGKPGR-UHFFFAOYSA-N,C14H23NO,221.34,221.1779644,4.8,35.3,153,0,1,2,8,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-(1-OXO-2-PROPENYL)-.OMEGA.-(NONYLPHENOXY)-",050974-47-5,4347344,2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate,CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOC(=O)C=C,"InChI=1S/C26H42O6/c1-3-5-6-7-8-9-10-11-24-12-14-25(15-13-24)31-22-20-29-18-16-28-17-19-30-21-23-32-26(27)4-2/h4,12-15H,2-3,5-11,16-23H2,1H3",KKGMXDQKKSMZJN-UHFFFAOYSA-N,C26H42O6,450.6,450.2981391,6.5,63.2,434,0,0,6,23,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHENOL, 2-[BIS(2-HYDROXYETHYL)AMINO]-5-NITRO-",052551-67-4,40411,2-[bis(2-hydroxyethyl)amino]-5-nitrophenol,C1=CC(=C(C=C1[N+](=O)[O-])O)N(CCO)CCO,"InChI=1S/C10H14N2O5/c13-5-3-11(4-6-14)9-2-1-8(12(16)17)7-10(9)15/h1-2,7,13-15H,3-6H2",ULLVPKLPBOZYMK-UHFFFAOYSA-N,C10H14N2O5,242.23,242.0902716,0.2,110,239,0,3,6,5,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPANOL, 1,1,1,3,3,3-HEXAFLUORO-, 4-METHYLBENZENESULFONATE",067674-48-0,98916,"1,1,1,3,3,3-hexafluoropropan-2-yl 4-methylbenzenesulfonate",CC1=CC=C(C=C1)S(=O)(=O)OC(C(F)(F)F)C(F)(F)F,"InChI=1S/C10H8F6O3S/c1-6-2-4-7(5-3-6)20(17,18)19-8(9(11,12)13)10(14,15)16/h2-5,8H,1H3",QGSVBFAODCJVIZ-UHFFFAOYSA-N,C10H8F6O3S,322.23,322.0098343,3.9,51.8,400,0,0,9,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BENZENEDIAMINE, 4-ETHOXY-, DIHYDROCHLORIDE",067801-06-3,49980,"4-ethoxybenzene-1,3-diamine;dihydrochloride",CCOC1=C(C=C(C=C1)N)N.Cl.Cl,"InChI=1S/C8H12N2O.2ClH/c1-2-11-8-4-3-6(9)5-7(8)10;;/h3-5H,2,9-10H2,1H3;2*1H",WDQOMIASNLKYHY-UHFFFAOYSA-N,C8H14Cl2N2O,225.11,224.0483185,,61.3,119,0,4,3,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PROPANONE, 1-(4-DODECYLPHENYL)-2-HYDROXY-2-METHYL-",069673-80-9,112290,1-(4-dodecylphenyl)-2-hydroxy-2-methylpropan-1-one,CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C(C)(C)O,"InChI=1S/C22H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20(18-16-19)21(23)22(2,3)24/h15-18,24H,4-14H2,1-3H3",MLKIVXXYTZKNMI-UHFFFAOYSA-N,C22H36O2,332.5,332.2715304,7.8,37.3,327,0,1,2,13,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHENOL, 6-AMINO-2,4-DICHLORO-3-ETHYL-, HYDROCHLORIDE",101819-99-2,13651322,"6-amino-2,4-dichloro-3-ethylphenol;hydrochloride",CCC1=C(C=C(C(=C1Cl)O)N)Cl.Cl,"InChI=1S/C8H9Cl2NO.ClH/c1-2-4-5(9)3-6(11)8(12)7(4)10;/h3,12H,2,11H2,1H3;1H",XZZITYVICUAZNB-UHFFFAOYSA-N,C8H10Cl3NO,242.5,240.982797,,46.3,156,0,3,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3,5-DIBROMO-4-NITROSOBENZENESULFONIC ACID SODIUM",078824-09-6,23674744,"sodium 3,5-dibromo-4-nitrosobenzenesulfonate",C1=C(C=C(C(=C1Br)N=O)Br)S(=O)(=O)[O-].[Na+],"InChI=1S/C6H3Br2NO4S.Na/c7-4-1-3(14(11,12)13)2-5(8)6(4)9-10;/h1-2H,(H,11,12,13);/q;+1/p-1",JMWSYMVDBCVUIO-UHFFFAOYSA-M,C6H2Br2NNaO4S,366.95,366.79485,,95,308,0,0,5,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-ETHYLBENZALDEHYDE,022927-13-5,123406,2-ethylbenzaldehyde,CCC1=CC=CC=C1C=O,"InChI=1S/C9H10O/c1-2-8-5-3-4-6-9(8)7-10/h3-7H,2H2,1H3",NTWBHJYRDKBGBR-UHFFFAOYSA-N,C9H10O,134.17,134.0731649,2.5,17.1,109,0,0,1,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ALPHA-CHLOROBENZYLIDENEMALONONITRILE,018270-61-6,176977,2-[chloro(phenyl)methylidene]propanedinitrile,C1=CC=C(C=C1)C(=C(C#N)C#N)Cl,InChI=1S/C10H5ClN2/c11-10(9(6-12)7-13)8-4-2-1-3-5-8/h1-5H,HGWXUOJXKLGEAF-UHFFFAOYSA-N,C10H5ClN2,188.61,188.0141259,2.4,47.6,288,0,0,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propanol, 1-(4-(2-methoxyethyl)phenoxy)-3-((1-methylethyl)amino)-, (+-)-",037350-58-6,4171,1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol,CC(C)NCC(COC1=CC=C(C=C1)CCOC)O,"InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3",IUBSYMUCCVWXPE-UHFFFAOYSA-N,C15H25NO3,267.36,267.1834437,1.9,50.7,215,0,2,4,9,19,,398ºC (estimate),0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
"BENZENESULFONIC ACID, 4-DODECYL-, SODIUM SALT",002211-98-5,4289524,sodium 4-dodecylbenzenesulfonate,CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+],"InChI=1S/C18H30O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;/h13-16H,2-12H2,1H3,(H,19,20,21);/q;+1/p-1",JHJUUEHSAZXEEO-UHFFFAOYSA-M,C18H29NaO3S,348.5,348.1735102,,65.6,357,0,0,3,12,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-[(2-AMINO-4-NITROPHENYL)AMINO]-",056932-44-6,3648504,2-(2-amino-4-nitroanilino)ethanol,C1=CC(=C(C=C1[N+](=O)[O-])N)NCCO,"InChI=1S/C8H11N3O3/c9-7-5-6(11(13)14)1-2-8(7)10-3-4-12/h1-2,5,10,12H,3-4,9H2",OWMQBFHMJVSJSA-UHFFFAOYSA-N,C8H11N3O3,197.19,197.0800412,0.4,104,195,0,3,5,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-[(4-AMINO-2-NITROPHENYL)AMINO]-",002871-01-4,3465817,2-(4-amino-2-nitroanilino)ethanol,C1=CC(=C(C=C1N)[N+](=O)[O-])NCCO,"InChI=1S/C8H11N3O3/c9-6-1-2-7(10-3-4-12)8(5-6)11(13)14/h1-2,5,10,12H,3-4,9H2",GZGZVOLBULPDFD-UHFFFAOYSA-N,C8H11N3O3,197.19,197.0800412,0.5,104,195,0,3,5,3,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"1,2-BENZENEDICARBOXYLIC ACID, DIHEPTYL ESTER",003648-21-3,19284,"diheptyl benzene-1,2-dicarboxylate",CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC,"InChI=1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3",JQCXWCOOWVGKMT-UHFFFAOYSA-N,C22H34O4,362.5,362.2457096,8,52.6,344,0,0,4,16,26,224 °C c.c.,360 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"METHANESULFONIC ACID, [(2-METHOXYPHENYL)AMINO]-",000093-13-0,7126,(2-methoxyanilino)methanesulfonic acid,COC1=CC=CC=C1NCS(=O)(=O)O,"InChI=1S/C8H11NO4S/c1-13-8-5-3-2-4-7(8)9-6-14(10,11)12/h2-5,9H,6H2,1H3,(H,10,11,12)",WJORFFDFYBZRJH-UHFFFAOYSA-N,C8H11NO4S,217.24,217.040879,1.2,84,259,0,2,5,4,14,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"NONANOIC ACID, SULFOPHENYL ESTER, SODIUM SALT",091125-43-8,23665774,sodium 2-nonanoyloxybenzenesulfonate,CCCCCCCCC(=O)OC1=CC=CC=C1S(=O)(=O)[O-].[Na+],"InChI=1S/C15H22O5S.Na/c1-2-3-4-5-6-7-12-15(16)20-13-10-8-9-11-14(13)21(17,18)19;/h8-11H,2-7,12H2,1H3,(H,17,18,19);/q;+1/p-1",QSKQNALVHFTOQX-UHFFFAOYSA-M,C15H21NaO5S,336.4,336.1007392,,91.9,405,0,0,5,10,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
ALPHA-METHYL-TRANS-CINNAMALDEHYDE,000101-39-3,5372813,(E)-2-methyl-3-phenylprop-2-enal,C/C(=C\C1=CC=CC=C1)/C=O,"InChI=1S/C10H10O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-8H,1H3/b9-7+",VLUMOWNVWOXZAU-VQHVLOKHSA-N,C10H10O,146.19,146.0731649,2.2,17.1,152,0,0,1,2,11,"175 °F (NTP, 1992)","302 °F at 100 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,4-DIETHYNYLBENZENE",000935-14-8,120463,"1,4-diethynylbenzene",C#CC1=CC=C(C=C1)C#C,"InChI=1S/C10H6/c1-3-9-5-7-10(4-2)8-6-9/h1-2,5-8H",MVLGANVFCMOJHR-UHFFFAOYSA-N,C10H6,126.15,126.0469502,2.4,0,163,0,0,0,2,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
ORYZALIN,019044-88-3,29393,"4-(dipropylamino)-3,5-dinitrobenzenesulfonamide",CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-],"InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)",UNAHYJYOSSSJHH-UHFFFAOYSA-N,C12H18N4O6S,346.36,346.0947055,2.1,163,493,0,1,8,6,23,,Decomp @ 265 °C,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZOIC ACID, 4-AMINO-, 2-METHYLPROPYL ESTER",000094-14-4,7176,2-methylpropyl 4-aminobenzoate,CC(C)COC(=O)C1=CC=C(C=C1)N,"InChI=1S/C11H15NO2/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7,12H2,1-2H3",PUYOAVGNCWPANW-UHFFFAOYSA-N,C11H15NO2,193.24,193.1102787,2.8,52.3,184,0,1,3,4,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENAMINE, 2-(METHYLSULFONYL)-4-NITRO-",000096-74-2,66785,2-methylsulfonyl-4-nitroaniline,CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N,"InChI=1S/C7H8N2O4S/c1-14(12,13)7-4-5(9(10)11)2-3-6(7)8/h2-4H,8H2,1H3",KIMXIMWZIRTKCQ-UHFFFAOYSA-N,C7H8N2O4S,216.22,216.0204779,0.9,114,316,0,1,5,1,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENEPROPANOL, .ALPHA.,.ALPHA.-DIMETHYL-, ACETATE",000103-07-1,7633,(2-methyl-4-phenylbutan-2-yl) acetate,CC(=O)OC(C)(C)CCC1=CC=CC=C1,"InChI=1S/C13H18O2/c1-11(14)15-13(2,3)10-9-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3",ZXFNOEJFYLQUSB-UHFFFAOYSA-N,C13H18O2,206.28,206.1306798,3,26.3,203,0,0,2,5,15,,243.00 to 244.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-PROPEN-1-OL, 3-PHENYL-, FORMATE",000104-65-4,5354883,[(E)-3-phenylprop-2-enyl] formate,C1=CC=C(C=C1)/C=C/COC=O,"InChI=1S/C10H10O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2/b7-4+",LBHJXKYRYCUGPD-QPJJXVBHSA-N,C10H10O2,162.18,162.0680796,2.5,26.3,146,0,0,2,4,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZOIC ACID, 1-METHYLETHYL ESTER",000939-48-0,13654,propan-2-yl benzoate,CC(C)OC(=O)C1=CC=CC=C1,"InChI=1S/C10H12O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3",FEXQDZTYJVXMOS-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,3.2,26.3,146,0,0,2,3,12,,215.00 to 218.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENEPROPANAL, 4-METHOXY-.ALPHA.-METHYL-",005462-06-6,64813,3-(4-methoxyphenyl)-2-methylpropanal,CC(CC1=CC=C(C=C1)OC)C=O,"InChI=1S/C11H14O2/c1-9(8-12)7-10-3-5-11(13-2)6-4-10/h3-6,8-9H,7H2,1-2H3",VLFBSPUPYFTTNF-UHFFFAOYSA-N,C11H14O2,178.23,178.0993797,2.2,26.3,148,0,0,2,4,13,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENESULFONIC ACID, 4-AMINO-3-CHLORO-5-METHYL-",006387-14-0,80802,4-amino-3-chloro-5-methylbenzenesulfonic acid,CC1=CC(=CC(=C1N)Cl)S(=O)(=O)O,"InChI=1S/C7H8ClNO3S/c1-4-2-5(13(10,11)12)3-6(8)7(4)9/h2-3H,9H2,1H3,(H,10,11,12)",DTQVHBIQMCFTSZ-UHFFFAOYSA-N,C7H8ClNO3S,221.66,220.991342,1,88.8,274,0,2,4,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENAMINE, 2-(TETRADECYLOXY)-",041710-89-8,117021,2-tetradecoxyaniline,CCCCCCCCCCCCCCOC1=CC=CC=C1N,"InChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-22-20-17-14-13-16-19(20)21/h13-14,16-17H,2-12,15,18,21H2,1H3",IXZBAJOADDIGIP-UHFFFAOYSA-N,C20H35NO,305.5,305.2718647,7.9,35.3,232,0,1,2,14,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENE, [2-(DIETHOXYMETHYL)-1-OCTENYL]-",067845-59-4,6437149,[(E)-2-(diethoxymethyl)oct-1-enyl]benzene,CCCCCC/C(=C\C1=CC=CC=C1)/C(OCC)OCC,"InChI=1S/C19H30O2/c1-4-7-8-12-15-18(19(20-5-2)21-6-3)16-17-13-10-9-11-14-17/h9-11,13-14,16,19H,4-8,12,15H2,1-3H3/b18-16+",QOUAYQKASAQPJF-FBMGVBCBSA-N,C19H30O2,290.4,290.2245802,6.2,18.5,261,0,0,2,11,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,3-DECANEDIONE, 1-PHENYL-",068892-13-7,111696,"1-phenyldecane-1,3-dione",CCCCCCCC(=O)CC(=O)C1=CC=CC=C1,"InChI=1S/C16H22O2/c1-2-3-4-5-9-12-15(17)13-16(18)14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3",IFQULAPKPYIHBS-UHFFFAOYSA-N,C16H22O2,246.34,246.1619799,4.5,34.1,252,0,0,2,9,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
METOLACHLOR,051218-45-2,4169,2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide,CCC1=CC=CC(=C1N(C(C)COC)C(=O)CCl)C,"InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3",WVQBLGZPHOPPFO-UHFFFAOYSA-N,C15H22ClNO2,283.79,283.1339066,3.1,29.5,285,0,0,2,6,19,"greater than 230 °F (USCG, 1999)","212 °F at 0.001 mmHg (USCG, 1999)",1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
CHLOROTHALONIL,001897-45-6,15910,"2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile",C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl,InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14,CRQQGFGUEAVUIL-UHFFFAOYSA-N,C8Cl4N2,265.9,265.878609,2.9,47.6,284,0,0,2,0,14,,"662 °F at 760 mmHg (NTP, 1992)",1,0,1,0,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,1
"HEXANOIC ACID, 6-[METHYL(PHENYLSULFONYL)AMINO]-",046948-72-5,117892,6-[benzenesulfonyl(methyl)amino]hexanoic acid,CN(CCCCCC(=O)O)S(=O)(=O)C1=CC=CC=C1,"InChI=1S/C13H19NO4S/c1-14(11-7-3-6-10-13(15)16)19(17,18)12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,15,16)",ASJPRZHJNRBKTI-UHFFFAOYSA-N,C13H19NO4S,285.36,285.1034793,1.6,83.1,369,0,1,5,8,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
PHENYLACETIC ACID,000103-82-2,999,2-phenylacetic acid,C1=CC=C(C=C1)CC(=O)O,"InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)",WLJVXDMOQOGPHL-UHFFFAOYSA-N,C8H8O2,136.15,136.0524295,1.4,37.3,114,0,1,2,2,10,132 °C (270 °F),265.5 deg at 760 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ETHYL PHENOXYACETATE,002555-49-9,17365,ethyl 2-phenoxyacetate,CCOC(=O)COC1=CC=CC=C1,"InChI=1S/C10H12O3/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",MGZFVSUXQXCEHM-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,1.8,35.5,150,0,0,3,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4-HYDROXYBENZOIC-2,3,5,6-D4 ACID",152404-47-2,44540358,"2,3,5,6-tetradeuterio-4-hydroxybenzoic acid",[2H]C1=C(C(=C(C(=C1C(=O)O)[2H])[2H])O)[2H],"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)/i1D,2D,3D,4D",FJKROLUGYXJWQN-RHQRLBAQSA-N,C7H6O3,142.14,142.056801,1.6,57.5,125,0,2,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1,4-DIBUTOXY-2-CHLORO-5-NITRO-",000089-30-5,66635,"1,4-dibutoxy-2-chloro-5-nitrobenzene",CCCCOC1=CC(=C(C=C1[N+](=O)[O-])OCCCC)Cl,"InChI=1S/C14H20ClNO4/c1-3-5-7-19-13-10-12(16(17)18)14(9-11(13)15)20-8-6-4-2/h9-10H,3-8H2,1-2H3",BFTZBYNTVYQUNQ-UHFFFAOYSA-N,C14H20ClNO4,301.76,301.1080858,4.8,64.3,285,0,0,4,8,20,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEPROPANOL, .ALPHA.,.ALPHA.-DIMETHYL-",000103-05-9,7632,2-methyl-4-phenylbutan-2-ol,CC(C)(CCC1=CC=CC=C1)O,"InChI=1S/C11H16O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3",YXVSKJDFNJFXAJ-UHFFFAOYSA-N,C11H16O,164.24,164.1201151,2.1,20.2,123,0,1,1,3,12,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 3-AMINO-4-METHYL-",000618-03-1,69246,3-amino-4-methylbenzenesulfonic acid,CC1=C(C=C(C=C1)S(=O)(=O)O)N,"InChI=1S/C7H9NO3S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)",DTNODBHGOLWROS-UHFFFAOYSA-N,C7H9NO3S,187.22,187.0303143,-0.4,88.8,244,0,2,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, HYDROXY-, MONOSODIUM SALT",001300-51-2,23674503,sodium 2-hydroxybenzenesulfonate,C1=CC=C(C(=C1)O)S(=O)(=O)[O-].[Na+],"InChI=1S/C6H6O4S.Na/c7-5-3-1-2-4-6(5)11(8,9)10;/h1-4,7H,(H,8,9,10);/q;+1/p-1",BLXAGSNYHSQSRC-UHFFFAOYSA-M,C6H5NaO4S,196.16,195.9806241,,85.8,220,0,1,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 4-ETHYL-, SODIUM SALT",014995-38-1,23675352,sodium 4-ethylbenzenesulfonate,CCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+],"InChI=1S/C8H10O3S.Na/c1-2-7-3-5-8(6-4-7)12(9,10)11;/h3-6H,2H2,1H3,(H,9,10,11);/q;+1/p-1",LLELGQVCQVOGMA-UHFFFAOYSA-M,C8H9NaO3S,208.21,208.0170096,,65.6,224,0,0,3,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"CARBAMIC ACID, (3-ISOCYANATOMETHYLPHENYL)-, 2-ETHYLHEXYL ESTER",054634-94-5,93998,2-ethylhexyl N-[3-(isocyanatomethyl)phenyl]carbamate,CCCCC(CC)COC(=O)NC1=CC=CC(=C1)CN=C=O,"InChI=1S/C17H24N2O3/c1-3-5-7-14(4-2)12-22-17(21)19-16-9-6-8-15(10-16)11-18-13-20/h6,8-10,14H,3-5,7,11-12H2,1-2H3,(H,19,21)",HZXOAHQYDYYYQI-UHFFFAOYSA-N,C17H24N2O3,304.4,304.1786926,5.4,67.8,367,0,1,4,10,22,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
AMYLASE,009000-92-4,71475145,"N-buta-2,3-dienyl-4-fluorobenzamide",C=C=CCNC(=O)C1=CC=C(C=C1)F,"InChI=1S/C11H10FNO/c1-2-3-8-13-11(14)9-4-6-10(12)7-5-9/h3-7H,1,8H2,(H,13,14)",YMXBQIIPWIMAQE-UHFFFAOYSA-N,C11H10FNO,191.2,191.0746421,1.5,29.1,238,0,1,2,3,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
HEXACHLOROBENZENE,000118-74-1,8370,"1,2,3,4,5,6-hexachlorobenzene",C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9,CKAPSXZOOQJIBF-UHFFFAOYSA-N,C6Cl6,284.8,283.810166,5.7,0,104,0,0,0,0,12,"468 °F (NTP, 1992)","612 °F at 760 mmHg (sublimes) (NTP, 1992)",1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
DIAMYL PHTHALATE,000131-18-0,8561,"dipentyl benzene-1,2-dicarboxylate",CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC,"InChI=1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3",IPKKHRVROFYTEK-UHFFFAOYSA-N,C18H26O4,306.4,306.1831093,5.8,52.6,295,0,0,4,12,22,"357 °F (NTP, 1992)","648 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
DI(2-ETHYLHEXYL)PHTHALATE,000117-81-7,8343,"bis(2-ethylhexyl) benzene-1,2-dicarboxylate",CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC,"InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3",BJQHLKABXJIVAM-UHFFFAOYSA-N,C24H38O4,390.6,390.2770097,7.4,52.6,394,0,0,4,16,28,"405 °F (NTP, 1992)","723 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2-PROPENAL, 3- 4-(1,1-DIMETHYLETHYL)PHENYL-2-METHYL-",013586-68-0,114659,3-(4-tert-butylphenyl)-2-methylprop-2-enal,CC(=CC1=CC=C(C=C1)C(C)(C)C)C=O,"InChI=1S/C14H18O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-10H,1-4H3",ZZSXZEFWZXSQPX-UHFFFAOYSA-N,C14H18O,202.29,202.1357652,3.9,17.1,237,0,0,1,3,15,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"BENZENE, 1,4-BIS(1,1-DIMETHYLETHYL)-",001012-72-2,13895,"1,4-ditert-butylbenzene",CC(C)(C)C1=CC=C(C=C1)C(C)(C)C,"InChI=1S/C14H22/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3",OOWNNCMFKFBNOF-UHFFFAOYSA-N,C14H22,190.32,190.1721507,5.3,0,147,0,0,0,2,14,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, UNDECYL-",006742-54-7,23194,undecylbenzene,CCCCCCCCCCCC1=CC=CC=C1,"InChI=1S/C17H28/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h10,12-13,15-16H,2-9,11,14H2,1H3",XBEADGFTLHRJRB-UHFFFAOYSA-N,C17H28,232.4,232.2191009,8.2,0,144,0,0,0,10,17,"285 °F (USCG, 1999)","601 °F at 760 mmHg (USCG, 1999)",1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"SILANE, TRIS[(1-METHYLETHENYL)OXY]PHENYL-",052301-18-5,104146,phenyl-tris(prop-1-en-2-yloxy)silane,CC(=C)O[Si](C1=CC=CC=C1)(OC(=C)C)OC(=C)C,"InChI=1S/C15H20O3Si/c1-12(2)16-19(17-13(3)4,18-14(5)6)15-10-8-7-9-11-15/h7-11H,1,3,5H2,2,4,6H3",XGIZTLFJCDBRDD-UHFFFAOYSA-N,C15H20O3Si,276.4,276.118171,,27.7,316,0,0,3,7,19,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
PENTYLBENZENE,000538-68-1,10864,pentylbenzene,CCCCCC1=CC=CC=C1,"InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3",PWATWSYOIIXYMA-UHFFFAOYSA-N,C11H16,148.24,148.1252005,5,0,80,0,0,0,4,11,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, PENTYL ESTER",002049-96-9,16296,pentyl benzoate,CCCCCOC(=O)C1=CC=CC=C1,"InChI=1S/C12H16O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3",QKNZNUNCDJZTCH-UHFFFAOYSA-N,C12H16O2,192.25,192.1150297,4.4,26.3,160,0,0,2,6,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZONITRILE, 4-(1-METHYLETHYL)-",013816-33-6,26289,4-propan-2-ylbenzonitrile,CC(C)C1=CC=C(C=C1)C#N,"InChI=1S/C10H11N/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,1-2H3",YFDJCWXBKWRDPW-UHFFFAOYSA-N,C10H11N,145.2,145.0891494,3,23.8,155,0,0,1,1,11,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, N-(1-butoxy-2,2,2-trichloroethyl)-2-hydroxy-",070193-21-4,115078,"N-(1-butoxy-2,2,2-trichloroethyl)-2-hydroxybenzamide",CCCCOC(C(Cl)(Cl)Cl)NC(=O)C1=CC=CC=C1O,"InChI=1S/C13H16Cl3NO3/c1-2-3-8-20-12(13(14,15)16)17-11(19)9-6-4-5-7-10(9)18/h4-7,12,18H,2-3,8H2,1H3,(H,17,19)",NHTFLYKPEGXOAN-UHFFFAOYSA-N,C13H16Cl3NO3,340.6,339.019576,4.5,58.6,310,0,2,3,6,20,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
3'-NITROACETOPHENONE,000121-89-1,8494,1-(3-nitrophenyl)ethanone,CC(=O)C1=CC(=CC=C1)[N+](=O)[O-],"InChI=1S/C8H7NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3",ARKIFHPFTHVKDT-UHFFFAOYSA-N,C8H7NO3,165.15,165.0425931,1.4,62.9,197,0,0,3,1,12,,"396 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, BIS(1,1-DIMETHYLETHYL)DODECYL-",068025-37-6,107051,"3-(3,8-ditert-butyldodecyl)phenol",CCCCC(CCCCC(CCC1=CC(=CC=C1)O)C(C)(C)C)C(C)(C)C,"InChI=1S/C26H46O/c1-8-9-14-22(25(2,3)4)15-10-11-16-23(26(5,6)7)19-18-21-13-12-17-24(27)20-21/h12-13,17,20,22-23,27H,8-11,14-16,18-19H2,1-7H3",KGXLFVVHLZMIDM-UHFFFAOYSA-N,C26H46O,374.6,374.3548661,10.7,20.2,373,0,1,1,13,27,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-BENZENEDICARBOXYLIC ACID, DIUNDECYL ESTER",003648-20-2,19283,"diundecyl benzene-1,2-dicarboxylate",CCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCC,"InChI=1S/C30H50O4/c1-3-5-7-9-11-13-15-17-21-25-33-29(31)27-23-19-20-24-28(27)30(32)34-26-22-18-16-14-12-10-8-6-4-2/h19-20,23-24H,3-18,21-22,25-26H2,1-2H3",QQVHEQUEHCEAKS-UHFFFAOYSA-N,C30H50O4,474.7,474.3709101,12.3,52.6,446,0,0,4,24,34,"greater than 200 °F (NTP, 1992)",,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,5-TRIBROMO-2-METHOXY-BENZENE",000607-99-8,11839,"1,3,5-tribromo-2-methoxybenzene",COC1=C(C=C(C=C1Br)Br)Br,"InChI=1S/C7H5Br3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3",YXTRCOAFNXQTKL-UHFFFAOYSA-N,C7H5Br3O,344.83,343.787,4.1,9.2,119,0,0,1,1,11,,298 °C,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2,3,5-trichloro-",50-73-7,66121,"2,3,5-trichlorobenzoic acid",C1=C(C=C(C(=C1C(=O)O)Cl)Cl)Cl,"InChI=1S/C7H3Cl3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)",CGFDSIZRJWMQPP-UHFFFAOYSA-N,C7H3Cl3O2,225.5,223.919862,3.3,37.3,185,0,1,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 3,4,5-trichloro-",51-39-8,5812,"3,4,5-trichlorobenzoic acid",C1=C(C=C(C(=C1Cl)Cl)Cl)C(=O)O,"InChI=1S/C7H3Cl3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)",ICUICNRYLHKQGS-UHFFFAOYSA-N,C7H3Cl3O2,225.5,223.919862,3.6,37.3,173,0,1,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrazine, (alpha-methylphenethyl)-",55-52-7,5929,1-phenylpropan-2-ylhydrazine,CC(CC1=CC=CC=C1)NN,"InChI=1S/C9H14N2/c1-8(11-10)7-9-5-3-2-4-6-9/h2-6,8,11H,7,10H2,1H3",VXTWEDPZMSVFEF-UHFFFAOYSA-N,C9H14N2,150.22,150.1156985,1.3,38.1,97,0,2,2,3,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Hydrazine, (alpha-methylbenzyl)-",65-64-5,6179,1-phenylethylhydrazine,CC(C1=CC=CC=C1)NN,"InChI=1S/C8H12N2/c1-7(10-9)8-5-3-2-4-6-8/h2-7,10H,9H2,1H3",HHRZAEJMHSGZNP-UHFFFAOYSA-N,C8H12N2,136.19,136.1000484,0.9,38.1,87,0,2,2,2,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cinnamaldehyde, alpha-pentyl-, dimethyl acetal",91-87-2,6005821,[(E)-2-(dimethoxymethyl)hept-1-enyl]benzene,CCCCC/C(=C\C1=CC=CC=C1)/C(OC)OC,"InChI=1S/C16H24O2/c1-4-5-7-12-15(16(17-2)18-3)13-14-10-8-6-9-11-14/h6,8-11,13,16H,4-5,7,12H2,1-3H3/b15-13+",QCHZKUPVENJLAW-FYWRMAATSA-N,C16H24O2,248.36,248.17763,4.9,18.5,225,0,0,2,8,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanol, 2,2'-(m-tolylimino)di-",91-99-6,7073,2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol,CC1=CC(=CC=C1)N(CCO)CCO,"InChI=1S/C11H17NO2/c1-10-3-2-4-11(9-10)12(5-7-13)6-8-14/h2-4,9,13-14H,5-8H2,1H3",VMNDRLYLEVCGAG-UHFFFAOYSA-N,C11H17NO2,195.26,195.1259288,1.4,43.7,146,0,2,3,5,14,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,1,0
"Phenethylamine, N,beta-dimethyl-",93-88-9,22276,N-methyl-2-phenylpropan-1-amine,CC(CNC)C1=CC=CC=C1,"InChI=1S/C10H15N/c1-9(8-11-2)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3",AUFSOOYCQYDGES-UHFFFAOYSA-N,C10H15N,149.23,149.1204495,2.1,12,95,0,1,1,3,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzyl alcohol, p-hydroxy-alpha-((methylamino)methyl)-",94-07-5,7172,4-[1-hydroxy-2-(methylamino)ethyl]phenol,CNCC(C1=CC=C(C=C1)O)O,"InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3",YRCWQPVGYLYSOX-UHFFFAOYSA-N,C9H13NO2,167.2,167.0946287,-0.6,52.5,122,0,3,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, p-amino-, propyl ester",94-12-2,7174,propyl 4-aminobenzoate,CCCOC(=O)C1=CC=C(C=C1)N,"InChI=1S/C10H13NO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6H,2,7,11H2,1H3",NBFQYHKHPBMJJV-UHFFFAOYSA-N,C10H13NO2,179.22,179.0946287,2.4,52.3,162,0,1,3,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Phenol, 2-amino-4,6-dinitro-",96-91-3,4921319,"2-amino-4,6-dinitrophenol",C1=C(C=C(C(=C1N)O)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C6H5N3O5/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14/h1-2,10H,7H2",QXYMVUZOGFVPGH-UHFFFAOYSA-N,C6H5N3O5,199.12,199.0229203,0.9,138,247,0,2,6,0,14,"410 °F (NTP, 1992)",,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanol, 2,2'-(1,4-phenylenebis(oxy))bis-",104-38-1,66912,2-[4-(2-hydroxyethoxy)phenoxy]ethanol,C1=CC(=CC=C1OCCO)OCCO,"InChI=1S/C10H14O4/c11-5-7-13-9-1-2-10(4-3-9)14-8-6-12/h1-4,11-12H,5-8H2",WTPYFJNYAMXZJG-UHFFFAOYSA-N,C10H14O4,198.22,198.0892089,0.5,58.9,116,0,2,4,6,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Ammonium, (m-hydroxyphenyl)trimethyl-, bromide, dimethylcarbamate",114-80-7,8246,[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium bromide,CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C.[Br-],"InChI=1S/C12H19N2O2.BrH/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;/h6-9H,1-5H3;1H/q+1;/p-1",LULNWZDBKTWDGK-UHFFFAOYSA-M,C12H19BrN2O2,303.2,302.06299,,29.5,246,0,0,3,3,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"Aniline, 2,4,5-trimethyl-",137-17-7,8717,"2,4,5-trimethylaniline",CC1=CC(=C(C=C1C)N)C,"InChI=1S/C9H13N/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,10H2,1-3H3",BMIPMKQAAJKBKP-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,2.3,26,111,0,1,1,0,10,,"453 to 455 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 2,4,6-trinitro-, silver(1+) salt",146-84-9,8976,"silver 2,4,6-trinitrophenolate",C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].[Ag+],"InChI=1S/C6H3N3O7.Ag/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h1-2,10H;/q;+1/p-1",TYTYIUANSACAEM-UHFFFAOYSA-M,C6H2AgN3O7,335.96,334.89437,,161,292,0,0,7,0,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetanilide, 4'-bromo-2-fluoro-",351-05-3,9593,N-(4-bromophenyl)-2-fluoroacetamide,C1=CC(=CC=C1NC(=O)CF)Br,"InChI=1S/C8H7BrFNO/c9-6-1-3-7(4-2-6)11-8(12)5-10/h1-4H,5H2,(H,11,12)",ACCDBHBOYZJSDT-UHFFFAOYSA-N,C8H7BrFNO,232.05,230.9695,2.7,29.1,157,0,1,2,2,12,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzene, 1-ethenyl-4-fluoro-",405-99-2,67883,1-ethenyl-4-fluorobenzene,C=CC1=CC=C(C=C1)F,"InChI=1S/C8H7F/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2",JWVTWJNGILGLAT-UHFFFAOYSA-N,C8H7F,122.14,122.0531784,2.8,0,90,0,0,1,1,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"o-Xylene, 3-fluoro-",443-82-3,96489,"1-fluoro-2,3-dimethylbenzene",CC1=C(C(=CC=C1)F)C,"InChI=1S/C8H9F/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3",AWLDSXJCQWTJPC-UHFFFAOYSA-N,C8H9F,124.15,124.0688284,3.1,0,90,0,0,1,0,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Benzyl alcohol, alpha-fluoromethyl-",450-94-2,9946,2-fluoro-1-phenylethanol,C1=CC=C(C=C1)C(CF)O,"InChI=1S/C8H9FO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6H2",FXOFPSAANUWIIM-UHFFFAOYSA-N,C8H9FO,140.15,140.0637431,1.4,20.2,89,0,1,2,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetophenone, 2-fluoro-",450-95-3,9947,2-fluoro-1-phenylethanone,C1=CC=C(C=C1)C(=O)CF,"InChI=1S/C8H7FO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2",YOMBUJAFGMOIGS-UHFFFAOYSA-N,C8H7FO,138.14,138.048093,2.1,17.1,116,0,0,2,2,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"gamma-Resorcylic acid, 4-methyl-",480-67-1,68074,"2,6-dihydroxy-4-methylbenzoic acid",CC1=CC(=C(C(=C1)O)C(=O)O)O,"InChI=1S/C8H8O4/c1-4-2-5(9)7(8(11)12)6(10)3-4/h2-3,9-10H,1H3,(H,11,12)",YBZAVRDNSPUMFK-UHFFFAOYSA-N,C8H8O4,168.15,168.0422587,2.2,77.8,168,0,3,4,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, benzyl-",538-32-9,10853,benzylurea,C1=CC=C(C=C1)CNC(=O)N,"InChI=1S/C8H10N2O/c9-8(11)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11)",RJNJWHFSKNJCTB-UHFFFAOYSA-N,C8H10N2O,150.18,150.0793129,0.7,55.1,130,0,2,1,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1-butyl-3-(3,4-dichlorophenyl)-1-methyl-",555-37-3,11145,"1-butyl-3-(3,4-dichlorophenyl)-1-methylurea",CCCCN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl,"InChI=1S/C12H16Cl2N2O/c1-3-4-7-16(2)12(17)15-9-5-6-10(13)11(14)8-9/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)",CCGPUGMWYLICGL-UHFFFAOYSA-N,C12H16Cl2N2O,275.17,274.0639685,3.8,32.3,251,0,1,1,4,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Decen-3-one, 1-(4-hydroxy-3-methoxyphenyl)-",555-66-8,11152,1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one,CCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)OC,"InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3",OQWKEEOHDMUXEO-UHFFFAOYSA-N,C17H24O3,276.4,276.1725446,3.7,46.5,299,0,1,3,9,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzene, 4-bromo-1,2-dimethyl-",583-71-1,68504,"4-bromo-1,2-dimethylbenzene",CC1=C(C=C(C=C1)Br)C,"InChI=1S/C8H9Br/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3",QOGHRLGTXVMRLM-UHFFFAOYSA-N,C8H9Br,185.06,183.98876,3.9,0,90,0,0,0,0,9,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 2-thio-1-m-tolyl-",621-40-9,701727,(3-methylphenyl)thiourea,CC1=CC(=CC=C1)NC(=S)N,"InChI=1S/C8H10N2S/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)",JODPVHLKQIOIIW-UHFFFAOYSA-N,C8H10N2S,166.25,166.0564695,1.9,70.1,147,0,2,1,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, p-tolyl-",622-51-5,12148,(4-methylphenyl)urea,CC1=CC=C(C=C1)NC(=O)N,"InChI=1S/C8H10N2O/c1-6-2-4-7(5-3-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)",DMSHKWHLXNDUST-UHFFFAOYSA-N,C8H10N2O,150.18,150.0793129,1.1,55.1,139,0,2,1,1,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 1-(p-fluorophenyl)-",659-30-3,12612,(4-fluorophenyl)urea,C1=CC(=CC=C1NC(=O)N)F,"InChI=1S/C7H7FN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)",IQZBVVPYTDHTIP-UHFFFAOYSA-N,C7H7FN2O,154.14,154.054241,1,55.1,143,0,2,2,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, p-bromo-",698-67-9,69683,4-bromobenzamide,C1=CC(=CC=C1C(=O)N)Br,"InChI=1S/C7H6BrNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)",ZRWNRAJCPNLYAK-UHFFFAOYSA-N,C7H6BrNO,200.03,198.96328,1.8,43.1,130,0,1,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenesulfonamide, p-bromo-N-methyl-",703-12-8,101215,4-bromo-N-methylbenzenesulfonamide,CNS(=O)(=O)C1=CC=C(C=C1)Br,"InChI=1S/C7H8BrNO2S/c1-9-12(10,11)7-4-2-6(8)3-5-7/h2-5,9H,1H3",ZAHMEHGOFNLRQN-UHFFFAOYSA-N,C7H8BrNO2S,250.12,248.94591,2,54.6,226,0,1,3,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Mandelic acid, ethyl ester",774-40-3,13050,ethyl 2-hydroxy-2-phenylacetate,CCOC(=O)C(C1=CC=CC=C1)O,"InChI=1S/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3",SAXHIDRUJXPDOD-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,1.5,46.5,162,0,1,3,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Hydratropamide, alpha-methyl-",826-54-0,94713,2-methyl-2-phenylpropanamide,CC(C)(C1=CC=CC=C1)C(=O)N,"InChI=1S/C10H13NO/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,11,12)",VKLQYTLWERZJEP-UHFFFAOYSA-N,C10H13NO,163.22,163.099714,1.7,43.1,169,0,1,1,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, iodoethynyl-",932-88-7,99382,2-iodoethynylbenzene,C1=CC=C(C=C1)C#CI,InChI=1S/C8H5I/c9-7-6-8-4-2-1-3-5-8/h1-5H,VOHWEKIUKSUIDT-UHFFFAOYSA-N,C8H5I,228.03,227.9436,3.3,0,131,0,0,0,1,9,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"gamma-Resorcylic acid, sodium salt",935-70-6,23673143,"sodium 2,6-dihydroxybenzoate",C1=CC(=C(C(=C1)O)C(=O)[O-])O.[Na+],"InChI=1S/C7H6O4.Na/c8-4-2-1-3-5(9)6(4)7(10)11;/h1-3,8-9H,(H,10,11);/q;+1/p-1",AHRCREUHIWVOMK-UHFFFAOYSA-M,C7H5NaO4,176.1,176.0085529,,80.6,151,0,2,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzylamine, N-methyl-N-nitroso-",937-40-6,13643,N-benzyl-N-methylnitrous amide,CN(CC1=CC=CC=C1)N=O,"InChI=1S/C8H10N2O/c1-10(9-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3",NGXUJKBJBFLCAR-UHFFFAOYSA-N,C8H10N2O,150.18,150.0793129,1.6,32.7,121,0,0,3,2,11,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, pentachloro-",1012-84-6,13896,"2,3,4,5,6-pentachlorobenzoic acid",C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=O)O,"InChI=1S/C7HCl5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)",IONYGGJUUJFXJK-UHFFFAOYSA-N,C7HCl5O2,294.3,293.838968,4.6,37.3,220,0,1,2,1,14,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, m-(2-aminopropyl)-",1075-61-2,102551,3-(2-aminopropyl)phenol,CC(CC1=CC(=CC=C1)O)N,"InChI=1S/C9H13NO/c1-7(10)5-8-3-2-4-9(11)6-8/h2-4,6-7,11H,5,10H2,1H3",WTDGMHYYGNJEKQ-UHFFFAOYSA-N,C9H13NO,151.21,151.099714,1.4,46.3,116,0,2,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 2-mercapto-",1121-24-0,70718,2-sulfanylphenol,C1=CC=C(C(=C1)O)S,"InChI=1S/C6H6OS/c7-5-3-1-2-4-6(5)8/h1-4,7-8H",VMKYTRPNOVFCGZ-UHFFFAOYSA-N,C6H6OS,126.18,126.013936,1.7,21.2,74,0,2,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Acetamide, N-(2-(4-hydroxyphenyl)ethyl)-",1202-66-0,121051,N-[2-(4-hydroxyphenyl)ethyl]acetamide,CC(=O)NCCC1=CC=C(C=C1)O,"InChI=1S/C10H13NO2/c1-8(12)11-7-6-9-2-4-10(13)5-3-9/h2-5,13H,6-7H2,1H3,(H,11,12)",ATDWJOOPFDQZNK-UHFFFAOYSA-N,C10H13NO2,179.22,179.0946287,1.1,49.3,162,0,2,2,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphorodiamidic acid, N,N,N',N'-tetramethyl-, O-pentachlorophenyl ester",1440-97-7,15040,"N-[dimethylamino-(2,3,4,5,6-pentachlorophenoxy)phosphoryl]-N-methylmethanamine",CN(C)P(=O)(N(C)C)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,"InChI=1S/C10H12Cl5N2O2P/c1-16(2)20(18,17(3)4)19-10-8(14)6(12)5(11)7(13)9(10)15/h1-4H3",RBBJXBKKZWSEHR-UHFFFAOYSA-N,C10H12Cl5N2O2P,400.4,399.904953,4.8,32.8,359,0,0,4,4,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenepropanoic acid, 3-amino-",1664-54-6,2735406,3-(3-aminophenyl)propanoic acid,C1=CC(=CC(=C1)N)CCC(=O)O,"InChI=1S/C9H11NO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5,10H2,(H,11,12)",SBHFVSXLYOBZKD-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,1,63.3,159,0,2,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Sulfanilamide, N(sup 1)-methyl-",1709-52-0,74368,4-amino-N-methylbenzenesulfonamide,CNS(=O)(=O)C1=CC=C(C=C1)N,"InChI=1S/C7H10N2O2S/c1-9-12(10,11)7-4-2-6(8)3-5-7/h2-5,9H,8H2,1H3",OISQSDKFWKJEBA-UHFFFAOYSA-N,C7H10N2O2S,186.23,186.0462987,0,80.6,224,0,2,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Sulfide, methyl pentachlorophenyl",1825-19-0,15766,"1,2,3,4,5-pentachloro-6-methylsulfanylbenzene",CSC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,InChI=1S/C7H3Cl5S/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3,LGZZJTIUEJNNKV-UHFFFAOYSA-N,C7H3Cl5S,296.4,295.83686,5.6,25.3,162,0,0,1,1,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Propanone, 1-(4-hydroxy-3-methoxyphenyl)-",1835-14-9,15782,1-(4-hydroxy-3-methoxyphenyl)propan-1-one,CCC(=O)C1=CC(=C(C=C1)O)OC,"InChI=1S/C10H12O3/c1-3-8(11)7-4-5-9(12)10(6-7)13-2/h4-6,12H,3H2,1-2H3",FBGXENQFSMMBNY-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,1,46.5,179,0,1,3,3,13,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 2,4-di-sec-butyl-",1849-18-9,15808,"2,4-di(butan-2-yl)phenol",CCC(C)C1=CC(=C(C=C1)O)C(C)CC,"InChI=1S/C14H22O/c1-5-10(3)12-7-8-14(15)13(9-12)11(4)6-2/h7-11,15H,5-6H2,1-4H3",JERZAOOJWPHIDG-UHFFFAOYSA-N,C14H22O,206.32,206.1670653,4.9,20.2,178,0,1,1,4,15,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, 2-(2-nitrophenoxy)-",1878-87-1,15883,2-(2-nitrophenoxy)acetic acid,C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)O,"InChI=1S/C8H7NO5/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11)",TYHHDWAHJRRYCU-UHFFFAOYSA-N,C8H7NO5,197.14,197.0324223,1,92.4,224,0,1,5,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, alpha-methyl-m-trifluoromethyl-",1886-26-6,15897,1-[3-(trifluoromethyl)phenyl]propan-2-amine,CC(CC1=CC(=CC=C1)C(F)(F)F)N,"InChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3",MLBHFBKZUPLWBD-UHFFFAOYSA-N,C10H12F3N,203.2,203.0921839,2.5,26,179,0,1,4,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Benzamide, 2,6-dichlorothio-",1918-13-4,2734819,"2,6-dichlorobenzenecarbothioamide",C1=CC(=C(C(=C1)Cl)C(=S)N)Cl,"InChI=1S/C7H5Cl2NS/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)",KGKGSIUWJCAFPX-UHFFFAOYSA-N,C7H5Cl2NS,206.09,204.9519757,1.4,58.1,153,0,1,1,1,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Isothiocyanic acid, p-bromophenyl ester",12/2/85,16133,1-bromo-4-isothiocyanatobenzene,C1=CC(=CC=C1N=C=S)Br,InChI=1S/C7H4BrNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H,XQACWEBGSZBLRG-UHFFFAOYSA-N,C7H4BrNS,214.08,212.92478,4,44.5,146,0,0,2,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"Veratraldehyde, oxime",2169-98-4,6861469,"(NE)-N-[(3,4-dimethoxyphenyl)methylidene]hydroxylamine",COC1=C(C=C(C=C1)/C=N/O)OC,"InChI=1S/C9H11NO3/c1-12-8-4-3-7(6-10-11)5-9(8)13-2/h3-6,11H,1-2H3/b10-6+",LHZIVRAMZJJLAP-UXBLZVDNSA-N,C9H11NO3,181.19,181.0738932,1.8,51.1,172,0,1,4,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3',4'-Acetoxylidide",2198-54-1,75144,"N-(3,4-dimethylphenyl)acetamide",CC1=C(C=C(C=C1)NC(=O)C)C,"InChI=1S/C10H13NO/c1-7-4-5-10(6-8(7)2)11-9(3)12/h4-6H,1-3H3,(H,11,12)",UAOIEEWQVAXCFY-UHFFFAOYSA-N,C10H13NO,163.22,163.099714,2.1,29.1,167,0,1,1,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Hydroquinone, 5-isopropyl-2-methyl-",2217-60-9,95779,"2-methyl-5-propan-2-ylbenzene-1,4-diol",CC1=CC(=C(C=C1O)C(C)C)O,"InChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,11-12H,1-3H3",OQIOHYHRGZNZCW-UHFFFAOYSA-N,C10H14O2,166.22,166.0993797,2.9,40.5,145,0,2,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, (3,4-dichlorophenyl)-",2/8/27,16854,"(3,4-dichlorophenyl)urea",C1=CC(=C(C=C1NC(=O)N)Cl)Cl,"InChI=1S/C7H6Cl2N2O/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,(H3,10,11,12)",CYESCLHCWJKRKM-UHFFFAOYSA-N,C7H6Cl2N2O,205.04,203.9857182,2.6,55.1,177,0,2,1,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 3,4,5-triiodo-",2338-20-7,16857,"3,4,5-triiodobenzoic acid",C1=C(C=C(C(=C1I)I)I)C(=O)O,"InChI=1S/C7H3I3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)",UCBKDZNMPMBJAB-UHFFFAOYSA-N,C7H3I3O2,499.81,499.7267,3.4,37.3,173,0,1,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Mandelic acid, hydrazide",2443-66-5,73126,2-hydroxy-2-phenylacetohydrazide,C1=CC=C(C=C1)C(C(=O)NN)O,"InChI=1S/C8H10N2O2/c9-10-8(12)7(11)6-4-2-1-3-5-6/h1-5,7,11H,9H2,(H,10,12)",FWTGUGVETHVGTL-UHFFFAOYSA-N,C8H10N2O2,166.18,166.0742276,-0.4,75.4,155,0,3,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzylamine, N,N,alpha-trimethyl-",2449-49-2,86536,"N,N-dimethyl-1-phenylethanamine",CC(C1=CC=CC=C1)N(C)C,"InChI=1S/C10H15N/c1-9(11(2)3)10-7-5-4-6-8-10/h4-9H,1-3H3",BVURNMLGDQYNAF-UHFFFAOYSA-N,C10H15N,149.23,149.1204495,2.2,3.2,103,0,0,1,2,11,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, 2-(tert-butyl)-4,6-dinitro-m-tolyl ester",1/6/87,305544,"(6-tert-butyl-3-methyl-2,4-dinitrophenyl) acetate",CC1=C(C=C(C(=C1[N+](=O)[O-])OC(=O)C)C(C)(C)C)[N+](=O)[O-],"InChI=1S/C13H16N2O6/c1-7-10(14(17)18)6-9(13(3,4)5)12(21-8(2)16)11(7)15(19)20/h6H,1-5H3",LWULXYSYLOIDQY-UHFFFAOYSA-N,C13H16N2O6,296.28,296.1008362,3.4,118,433,0,0,6,3,21,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetophenone, 2-bromo-4'-hydroxy-",2491-38-5,4964,2-bromo-1-(4-hydroxyphenyl)ethanone,C1=CC(=CC=C1C(=O)CBr)O,"InChI=1S/C8H7BrO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2",LJYOFQHKEWTQRH-UHFFFAOYSA-N,C8H7BrO2,215.04,213.96294,2.4,37.3,139,0,1,2,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, N-benzyl-2-chloro-",6/9/64,96233,N-benzyl-2-chloroacetamide,C1=CC=C(C=C1)CNC(=O)CCl,"InChI=1S/C9H10ClNO/c10-6-9(12)11-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)",SRAXAXHQMCQHSH-UHFFFAOYSA-N,C9H10ClNO,183.63,183.0450916,1.8,29.1,143,0,1,1,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Formanilide, 4'-chloro-",2617-79-0,17475,N-(4-chlorophenyl)formamide,C1=CC(=CC=C1NC=O)Cl,"InChI=1S/C7H6ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-5H,(H,9,10)",LMLFHXMNNHGRRO-UHFFFAOYSA-N,C7H6ClNO,155.58,155.0137915,2,29.1,110,0,1,1,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbanilic acid, p-chloro-, ethyl ester",2621-80-9,17496,ethyl N-(4-chlorophenyl)carbamate,CCOC(=O)NC1=CC=C(C=C1)Cl,"InChI=1S/C9H10ClNO2/c1-2-13-9(12)11-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H,11,12)",WSKXXIMERYQVGJ-UHFFFAOYSA-N,C9H10ClNO2,199.63,199.0400063,2.9,38.3,167,0,1,2,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzaldehyde, 3-hydroxy-2,4,6-tribromo-",2737-22-6,200803,"2,4,6-tribromo-3-hydroxybenzaldehyde",C1=C(C(=C(C(=C1Br)O)Br)C=O)Br,"InChI=1S/C7H3Br3O2/c8-4-1-5(9)7(12)6(10)3(4)2-11/h1-2,12H",FAWOIFAFFUDNJX-UHFFFAOYSA-N,C7H3Br3O2,358.81,357.76627,4.2,37.3,176,0,1,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-Benzenediol, 3-(8-pentadecenyl)-",2764-91-2,115259,"3-pentadec-8-enylbenzene-1,2-diol",CCCCCCC=CCCCCCCCC1=C(C(=CC=C1)O)O,"InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h7-8,15,17-18,22-23H,2-6,9-14,16H2,1H3",GWOCLAPCXDOJRL-UHFFFAOYSA-N,C21H34O2,318.5,318.2558803,8.1,40.5,288,0,2,2,13,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Ethanol, 2-(phenethylamino)-",2842-37-7,17826,2-(2-phenylethylamino)ethanol,C1=CC=C(C=C1)CCNCCO,"InChI=1S/C10H15NO/c12-9-8-11-7-6-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2",WPOHVHKEDGUEPZ-UHFFFAOYSA-N,C10H15NO,165.23,165.1153641,1.1,32.3,100,0,2,2,5,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"Benzylamine, alpha-ethyl-",2941-20-0,18054,1-phenylpropan-1-amine,CCC(C1=CC=CC=C1)N,"InChI=1S/C9H13N/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2,10H2,1H3",AQFLVLHRZFLDDV-UHFFFAOYSA-N,C9H13N,135.21,135.1047994,1.7,26,84,0,1,1,2,10,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzoic acid, 2-amino-5-(aminosulfonyl)-4-chloro-",3086-91-7,76523,2-amino-4-chloro-5-sulfamoylbenzoic acid,C1=C(C(=CC(=C1S(=O)(=O)N)Cl)N)C(=O)O,"InChI=1S/C7H7ClN2O4S/c8-4-2-5(9)3(7(11)12)1-6(4)15(10,13)14/h1-2H,9H2,(H,11,12)(H2,10,13,14)",QQLJBZFXGDHSRU-UHFFFAOYSA-N,C7H7ClN2O4S,250.66,249.9815056,0.5,132,352,0,3,6,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-Xylenol, 4-amino-",3096-70-6,76543,"4-amino-3,5-dimethylphenol",CC1=CC(=CC(=C1N)C)O,"InChI=1S/C8H11NO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,9H2,1-2H3",GCWYXRHXGLFVFE-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,0.7,46.3,104,0,2,2,0,10,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Resorcinol, 5-methyl-2,4,6-tribromo-",3163-24-4,76624,"2,4,6-tribromo-5-methylbenzene-1,3-diol",CC1=C(C(=C(C(=C1Br)O)Br)O)Br,"InChI=1S/C7H5Br3O2/c1-2-3(8)6(11)5(10)7(12)4(2)9/h11-12H,1H3",LGNJOSCBEAIVNB-UHFFFAOYSA-N,C7H5Br3O2,360.82,359.78192,3.6,40.5,151,0,2,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzylamine, 2,5-dimethoxy-",3275-95-4,18652,"(2,5-dimethoxyphenyl)methanamine",COC1=CC(=C(C=C1)OC)CN,"InChI=1S/C9H13NO2/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5H,6,10H2,1-2H3",UWMCHDDHXMFKMA-UHFFFAOYSA-N,C9H13NO2,167.2,167.0946287,0.7,44.5,130,0,1,3,3,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Carbamic acid, hydroxy-, benzyl ester",3426-71-9,18907,benzyl N-hydroxycarbamate,C1=CC=C(C=C1)COC(=O)NO,"InChI=1S/C8H9NO3/c10-8(9-11)12-6-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10)",PQBSPTAPCMSZAA-UHFFFAOYSA-N,C8H9NO3,167.16,167.0582431,1.2,58.6,143,0,2,3,3,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetonitrile, 2-(5-fluoro-2-nitrophenyl)-",3456-75-5,18945,2-(5-fluoro-2-nitrophenyl)acetonitrile,C1=CC(=C(C=C1F)CC#N)[N+](=O)[O-],"InChI=1S/C8H5FN2O2/c9-7-1-2-8(11(12)13)6(5-7)3-4-10/h1-2,5H,3H2",YETOJTGGLXHUCS-UHFFFAOYSA-N,C8H5FN2O2,180.14,180.0335056,1.5,69.6,242,0,0,4,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbamic acid, methyl-, 4-methylthio-m-tolyl ester",3566-00-5,19106,(3-methyl-4-methylsulfanylphenyl) N-methylcarbamate,CC1=C(C=CC(=C1)OC(=O)NC)SC,"InChI=1S/C10H13NO2S/c1-7-6-8(13-10(12)11-2)4-5-9(7)14-3/h4-6H,1-3H3,(H,11,12)",SLZKSCPVPMUGAP-UHFFFAOYSA-N,C10H13NO2S,211.28,211.0666998,2.5,63.6,199,0,1,3,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, p-chloro-, sodium salt",3686-66-6,23691027,sodium 4-chlorobenzoate,C1=CC(=CC=C1C(=O)[O-])Cl.[Na+],"InChI=1S/C7H5ClO2.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1",GHMWZRWCBLXYBX-UHFFFAOYSA-M,C7H4ClNaO2,178.55,177.9797513,,40.1,132,0,0,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cinnamic acid, alpha-cyano-, methyl ester",3695-84-9,674252,methyl (E)-2-cyano-3-phenylprop-2-enoate,COC(=O)/C(=C/C1=CC=CC=C1)/C#N,"InChI=1S/C11H9NO2/c1-14-11(13)10(8-12)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7+",XLNFLJOWTRDNCX-JXMROGBWSA-N,C11H9NO2,187.19,187.0633285,2.1,50.1,279,0,0,3,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"p-Phenylenediamine, 2,6-difluoro-",3743-86-0,96596,"2,6-difluorobenzene-1,4-diamine",C1=C(C=C(C(=C1F)N)F)N,"InChI=1S/C6H6F2N2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,9-10H2",XFWCWQUDUPQGKG-UHFFFAOYSA-N,C6H6F2N2,144.12,144.0499045,0.8,52,108,0,2,4,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cinnamic acid, o-chloro-",3752-25-8,700642,(E)-3-(2-chlorophenyl)prop-2-enoic acid,C1=CC=C(C(=C1)/C=C/C(=O)O)Cl,"InChI=1S/C9H7ClO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)/b6-5+",KJRRTHHNKJBVBO-AATRIKPKSA-N,C9H7ClO2,182.6,182.0134572,2.5,37.3,189,0,1,2,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenamine, 2,3,4-trifluoro-",3862-73-5,77468,"2,3,4-trifluoroaniline",C1=CC(=C(C(=C1N)F)F)F,"InChI=1S/C6H4F3N/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2",WRDGNXCXTDDYBZ-UHFFFAOYSA-N,C6H4F3N,147.1,147.0295836,1.5,26,120,0,1,4,0,10,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"2-Propenal, 3-(3,4-dimethoxyphenyl)-, (2E)-",4497-40-9,5375268,"(E)-3-(3,4-dimethoxyphenyl)prop-2-enal",COC1=C(C=C(C=C1)/C=C/C=O)OC,"InChI=1S/C11H12O3/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h3-8H,1-2H3/b4-3+",KNUFNLWDGZQKKJ-ONEGZZNKSA-N,C11H12O3,192.21,192.0786442,1.4,35.5,201,0,0,3,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1-methyl-1-phenyl-",4559-87-9,78316,1-methyl-1-phenylurea,CN(C1=CC=CC=C1)C(=O)N,"InChI=1S/C8H10N2O/c1-10(8(9)11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,11)",SKAADKSETAYKGL-UHFFFAOYSA-N,C8H10N2O,150.18,150.0793129,0.4,46.3,141,0,1,1,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenamine, 2,6-dinitro-N,N-dipropyl-4-(methylsulfonlyl)-",4726-14-1,20848,"4-methylsulfonyl-2,6-dinitro-N,N-dipropylaniline",CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-],"InChI=1S/C13H19N3O6S/c1-4-6-14(7-5-2)13-11(15(17)18)8-10(23(3,21)22)9-12(13)16(19)20/h8-9H,4-7H2,1-3H3",UMKANAFDOQQUKE-UHFFFAOYSA-N,C13H19N3O6S,345.37,345.0994565,3.7,137,491,0,0,7,6,23,,"greater than 437 °F at 760 mmHg (decomposes) (USCG, 1999)",1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 4-(butylamino)-",4740-24-3,95946,4-(butylamino)benzoic acid,CCCCNC1=CC=C(C=C1)C(=O)O,"InChI=1S/C11H15NO2/c1-2-3-8-12-10-6-4-9(5-7-10)11(13)14/h4-7,12H,2-3,8H2,1H3,(H,13,14)",YCCRFDDXAVMSLM-UHFFFAOYSA-N,C11H15NO2,193.24,193.1102787,3.4,49.3,174,0,2,3,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-Cysteine, N-acetyl-S-phenyl-",4775-80-8,2723735,(2R)-2-acetamido-3-phenylsulfanylpropanoic acid,CC(=O)N[C@@H](CSC1=CC=CC=C1)C(=O)O,"InChI=1S/C11H13NO3S/c1-8(13)12-10(11(14)15)7-16-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1",CICOZWHZVMOPJS-JTQLQIEISA-N,C11H13NO3S,239.29,239.0616145,1.4,91.7,252,0,2,4,5,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetanilide, 2-amino-, monohydrochloride",4801-39-2,458752,2-amino-N-phenylacetamide;hydrochloride,C1=CC=C(C=C1)NC(=O)CN.Cl,"InChI=1S/C8H10N2O.ClH/c9-6-8(11)10-7-4-2-1-3-5-7;/h1-5H,6,9H2,(H,10,11);1H",WJJKZMFCHGHFBD-UHFFFAOYSA-N,C8H11ClN2O,186.64,186.0559907,,55.1,130,0,3,2,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbamic acid, tert-butyl-, (m-(3,3-dimethyureido)phenyl) ester",4849-32-5,312440,[3-(dimethylcarbamoylamino)phenyl] N-tert-butylcarbamate,CC(C)(C)NC(=O)OC1=CC=CC(=C1)NC(=O)N(C)C,"InChI=1S/C14H21N3O3/c1-14(2,3)16-13(19)20-11-8-6-7-10(9-11)15-12(18)17(4)5/h6-9H,1-5H3,(H,15,18)(H,16,19)",OWNAXTAAAQTBSP-UHFFFAOYSA-N,C14H21N3O3,279.33,279.1582915,1.7,70.7,350,0,2,3,4,20,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, 2-amino-5-chloro-",5202-85-7,78876,2-amino-5-chlorobenzamide,C1=CC(=C(C=C1Cl)C(=O)N)N,"InChI=1S/C7H7ClN2O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H2,10,11)",DNRVZOZGQHHDAT-UHFFFAOYSA-N,C7H7ClN2O,170.59,170.0246905,0.9,69.1,163,0,2,2,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Semicarbazide, 1-benzoyl-3-thio-",5351-66-6,781748,benzamidothiourea,C1=CC=C(C=C1)C(=O)NNC(=S)N,"InChI=1S/C8H9N3OS/c9-8(13)11-10-7(12)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H3,9,11,13)",OWKWAVBMKKZMHE-UHFFFAOYSA-N,C8H9N3OS,195.24,195.0466331,0.1,99.2,202,0,3,2,1,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenearsonic acid, p-chloro-",5440-04-0,79502,(4-chlorophenyl)arsonic acid,C1=CC(=CC=C1Cl)[As](=O)(O)O,"InChI=1S/C6H6AsClO3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H,(H2,9,10,11)",OAKWMQGNBGGJGT-UHFFFAOYSA-N,C6H6AsClO3,236.48,235.922141,,57.5,171,0,2,3,1,11,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hydrazine, phenethyl-, hydrochloride",5470-36-0,154983,2-phenylethylhydrazine;hydrochloride,C1=CC=C(C=C1)CCNN.Cl,"InChI=1S/C8H12N2.ClH/c9-10-7-6-8-4-2-1-3-5-8;/h1-5,10H,6-7,9H2;1H",YXTQJIOOEPPOBO-UHFFFAOYSA-N,C8H13ClN2,172.65,172.0767261,,38.1,77,0,3,2,3,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hydrocinnamic acid, alpha,alpha-dimethyl-",5669-14-7,21880,"2,2-dimethyl-3-phenylpropanoic acid",CC(C)(CC1=CC=CC=C1)C(=O)O,"InChI=1S/C11H14O2/c1-11(2,10(12)13)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,13)",BQHWATVEWGHHHF-UHFFFAOYSA-N,C11H14O2,178.23,178.0993797,2.6,37.3,179,0,1,2,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, N-isobutyl-",5705-57-7,95140,N-(2-methylpropyl)benzamide,CC(C)CNC(=O)C1=CC=CC=C1,"InChI=1S/C11H15NO/c1-9(2)8-12-11(13)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)",ZABMXPJUCKVZSH-UHFFFAOYSA-N,C11H15NO,177.24,177.1153641,2.3,29.1,159,0,1,1,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzyl alcohol, alpha-(1-aminopropyl)-",5897-76-7,22187,2-amino-1-phenylbutan-1-ol,CCC(C(C1=CC=CC=C1)O)N,"InChI=1S/C10H15NO/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7,9-10,12H,2,11H2,1H3",UOZNVPFVNBRISY-UHFFFAOYSA-N,C10H15NO,165.23,165.1153641,1.4,46.3,121,0,2,2,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 4-(2-(methylamino)propyl)-, sulfate (2:1)",6114-26-7,12314174,4-[2-(methylamino)propyl]phenol;sulfuric acid,CC(CC1=CC=C(C=C1)O)NC.OS(=O)(=O)O,"InChI=1S/C10H15NO.H2O4S/c1-8(11-2)7-9-3-5-10(12)6-4-9;1-5(2,3)4/h3-6,8,11-12H,7H2,1-2H3;(H2,1,2,3,4)",PFBFUZCCJVXPKX-UHFFFAOYSA-N,C10H17NO5S,263.31,263.0827438,,115,200,0,4,6,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, (2-nitroethyl)-",6125-24-2,80208,2-nitroethylbenzene,C1=CC=C(C=C1)CC[N+](=O)[O-],"InChI=1S/C8H9NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2",XAWCLWKTUKMCMO-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,2.1,45.8,125,0,0,2,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butyric acid, 4-phenoxy-",6303-58-8,22741,4-phenoxybutanoic acid,C1=CC=C(C=C1)OCCCC(=O)O,"InChI=1S/C10H12O3/c11-10(12)7-4-8-13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)",YKYVPFIBWVQZCE-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,2.1,46.5,150,0,1,3,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"p-Toluamidine, monohydrochloride",6326-27-8,122753,4-methylbenzenecarboximidamide;hydrochloride,CC1=CC=C(C=C1)C(=N)N.Cl,"InChI=1S/C8H10N2.ClH/c1-6-2-4-7(5-3-6)8(9)10;/h2-5H,1H3,(H3,9,10);1H",MTDUPZAXNYELOU-UHFFFAOYSA-N,C8H11ClN2,170.64,170.0610761,,49.9,123,0,3,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Aniline, 2,4,6-trimethyl, hydrochloride",11/8/34,5284471,"2,4,6-trimethylaniline;hydrochloride",CC1=CC(=C(C(=C1)C)N)C.Cl,"InChI=1S/C9H13N.ClH/c1-6-4-7(2)9(10)8(3)5-6;/h4-5H,10H2,1-3H3;1H",WUYJXWRFOUCHEB-UHFFFAOYSA-N,C9H14ClN,171.67,171.0814771,,26,99,0,2,1,0,11,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2',6'-Acetoxylidide, 4'-hydroxy-",6337-56-0,80641,"N-(4-hydroxy-2,6-dimethylphenyl)acetamide",CC1=CC(=CC(=C1NC(=O)C)C)O,"InChI=1S/C10H13NO2/c1-6-4-9(13)5-7(2)10(6)11-8(3)12/h4-5,13H,1-3H3,(H,11,12)",IZHSFKZROSCMKK-UHFFFAOYSA-N,C10H13NO2,179.22,179.0946287,0.3,49.3,181,0,2,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Acetic acid, (4-chloro-2-hydroxymethylphenoxy)-",6386-63-6,22883,2-[4-chloro-2-(hydroxymethyl)phenoxy]acetic acid,C1=CC(=C(C=C1Cl)CO)OCC(=O)O,"InChI=1S/C9H9ClO4/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13/h1-3,11H,4-5H2,(H,12,13)",ZJRUTGDCLVIVRD-UHFFFAOYSA-N,C9H9ClO4,216.62,216.0189365,1.2,66.8,197,0,2,4,4,14,,,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 2-sec-butyl-4,6-dinitro-, 2,2',2''-nitrilotriethanol salt",6420-47-9,22929,"2-[bis(2-hydroxyethyl)amino]ethanol;2-butan-2-yl-4,6-dinitrophenol",CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O.C(CO)N(CCO)CCO,"InChI=1S/C10H12N2O5.C6H15NO3/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17;8-4-1-7(2-5-9)3-6-10/h4-6,13H,3H2,1-2H3;8-10H,1-6H2",YRKPPLCJMDGOOY-UHFFFAOYSA-N,C16H27N3O8,389.4,389.1798148,,176,354,0,4,9,8,27,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Isothiocyanic acid, 3,4-dichlorophenyl ester",6590-94-9,23065,"1,2-dichloro-4-isothiocyanatobenzene",C1=CC(=C(C=C1N=C=S)Cl)Cl,InChI=1S/C7H3Cl2NS/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H,OSBIEFWIIINTNJ-UHFFFAOYSA-N,C7H3Cl2NS,204.08,202.9363257,4.8,44.5,179,0,0,2,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Salicylic acid, 4-amino-, hydrazide",6946-29-8,72490,4-amino-2-hydroxybenzohydrazide,C1=CC(=C(C=C1N)O)C(=O)NN,"InChI=1S/C7H9N3O2/c8-4-1-2-5(6(11)3-4)7(12)10-9/h1-3,11H,8-9H2,(H,10,12)",FYZGXAKJVDHGDR-UHFFFAOYSA-N,C7H9N3O2,167.17,167.0694765,0.3,101,174,0,4,4,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzeneacetaldehyde, oxime",7028-48-0,99748,N-(2-phenylethylidene)hydroxylamine,C1=CC=C(C=C1)CC=NO,"InChI=1S/C8H9NO/c10-9-7-6-8-4-2-1-3-5-8/h1-5,7,10H,6H2",CXISHLWVCSLKOJ-UHFFFAOYSA-N,C8H9NO,135.16,135.0684139,2,32.6,106,0,1,2,2,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-Propanediol, 3-(o-ethylphenoxy)-",7149-82-8,98049,"3-(2-ethylphenoxy)propane-1,2-diol",CCC1=CC=CC=C1OCC(CO)O,"InChI=1S/C11H16O3/c1-2-9-5-3-4-6-11(9)14-8-10(13)7-12/h3-6,10,12-13H,2,7-8H2,1H3",KLIWBPMQXVJEAN-UHFFFAOYSA-N,C11H16O3,196.24,196.1099444,1.8,49.7,149,0,2,3,5,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenethiol, 5-(1,1-dimethylethyl)-2-methyl-",7340-90-1,596868,5-tert-butyl-2-methylbenzenethiol,CC1=C(C=C(C=C1)C(C)(C)C)S,"InChI=1S/C11H16S/c1-8-5-6-9(7-10(8)12)11(2,3)4/h5-7,12H,1-4H3",ZSBNXOIAJFVXMP-UHFFFAOYSA-N,C11H16S,180.31,180.0972717,4.1,1,146,0,1,1,1,12,,,1,0,0,0,1,0,1,1,1,0,0,0,0,1,0,0,1,1,1,1
"Butyric acid, 2-(p-nitrophenyl)-",7463-53-8,24047,2-(4-nitrophenyl)butanoic acid,CCC(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)O,"InChI=1S/C10H11NO4/c1-2-9(10(12)13)7-3-5-8(6-4-7)11(14)15/h3-6,9H,2H2,1H3,(H,12,13)",XBGNOMBPRQVJSR-UHFFFAOYSA-N,C10H11NO4,209.2,209.0688078,2.1,83.1,240,0,1,4,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, N,alpha-dimethyl-",10/2/32,1206,N-methyl-1-phenylpropan-2-amine,CC(CC1=CC=CC=C1)NC,"InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3",MYWUZJCMWCOHBA-UHFFFAOYSA-N,C10H15N,149.23,149.1204495,2.1,12,95,0,1,1,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-Benzenediol, 3,5-dinitro-",7659-29-2,3870203,"3,5-dinitrobenzene-1,2-diol",C1=C(C=C(C(=C1[N+](=O)[O-])O)O)[N+](=O)[O-],"InChI=1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H",VDCDWNDTNSWDFJ-UHFFFAOYSA-N,C6H4N2O6,200.11,200.0069359,0.7,132,246,0,2,6,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzylamine, N,N-bis(2-chloroethyl)-, hydrochloride",10429-82-0,2777881,N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride,C1=CC=C(C=C1)CN(CCCl)CCCl.Cl,"InChI=1S/C11H15Cl2N.ClH/c12-6-8-14(9-7-13)10-11-4-2-1-3-5-11;/h1-5H,6-10H2;1H",AZRWNJFEUSHORT-UHFFFAOYSA-N,C11H16Cl3N,268.6,267.034833,,3.2,129,0,1,1,6,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, p-(2-(methylamino)ethyl)-, hydrochloride",13062-76-5,202623,4-[2-(methylamino)ethyl]phenol;hydrochloride,CNCCC1=CC=C(C=C1)O.Cl,"InChI=1S/C9H13NO.ClH/c1-10-7-6-8-2-4-9(11)5-3-8;/h2-5,10-11H,6-7H2,1H3;1H",JNZSSRZVHCKFLK-UHFFFAOYSA-N,C9H14ClNO,187.66,187.0763918,,32.3,97,0,3,2,3,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetophenone, 2,2,4'-tribromo-",13195-79-4,25776,"2,2-dibromo-1-(4-bromophenyl)ethanone",C1=CC(=CC=C1C(=O)C(Br)Br)Br,"InChI=1S/C8H5Br3O/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,8H",KFTUNOVZJWIKFX-UHFFFAOYSA-N,C8H5Br3O,356.84,355.787,4.1,17.1,162,0,0,1,2,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Hippuric acid, p-chloro-",13450-77-6,26009,2-[(4-chlorobenzoyl)amino]acetic acid,C1=CC(=CC=C1C(=O)NCC(=O)O)Cl,"InChI=1S/C9H8ClNO3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)",COYZIYOEXGRBHQ-UHFFFAOYSA-N,C9H8ClNO3,213.62,213.0192708,0.4,66.4,224,0,2,3,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethylamine, N,N-dimethyl-2-phenoxy-",13468-02-5,26050,"N,N-dimethyl-2-phenoxyethanamine",CN(C)CCOC1=CC=CC=C1,"InChI=1S/C10H15NO/c1-11(2)8-9-12-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3",RUHVDRGWCIAFLG-UHFFFAOYSA-N,C10H15NO,165.23,165.1153641,1.9,12.5,108,0,0,2,4,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbanilic acid, m-hydroxy-, methyl ester",13683-89-1,26181,methyl N-(3-hydroxyphenyl)carbamate,COC(=O)NC1=CC(=CC=C1)O,"InChI=1S/C8H9NO3/c1-12-8(11)9-6-3-2-4-7(10)5-6/h2-5,10H,1H3,(H,9,11)",FFQQCJGNKKIRMD-UHFFFAOYSA-N,C8H9NO3,167.16,167.0582431,1.7,58.6,160,0,2,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphoric acid, dimethyl 4-(methylsulfonyl)-m-tolyl ester",14086-35-2,26449,dimethyl (3-methyl-4-methylsulfonylphenyl) phosphate,CC1=C(C=CC(=C1)OP(=O)(OC)OC)S(=O)(=O)C,"InChI=1S/C10H15O6PS/c1-8-7-9(16-17(11,14-2)15-3)5-6-10(8)18(4,12)13/h5-7H,1-4H3",VUTHWSUXEOILTN-UHFFFAOYSA-N,C10H15O6PS,294.26,294.0326964,1.1,87.3,407,0,0,6,5,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetonitrile, (p-hydroxyphenyl)-",14191-95-8,26548,2-(4-hydroxyphenyl)acetonitrile,C1=CC(=CC=C1CC#N)O,"InChI=1S/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2",AYKYOOPFBCOXSL-UHFFFAOYSA-N,C8H7NO,133.15,133.0527638,1.5,44,139,0,1,2,1,10,,329.00 to 330.00 °C. @ 760.00 mm Hg,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 2,5-diiodo-",14192-12-2,26549,"2,5-diiodobenzoic acid",C1=CC(=C(C=C1I)C(=O)O)I,"InChI=1S/C7H4I2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)",NSKPFWAAYDFCFS-UHFFFAOYSA-N,C7H4I2O2,373.91,373.83007,2.7,37.3,161,0,1,2,1,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamidine, p-chloro-, monohydrochloride",14401-51-5,203436,4-chlorobenzenecarboximidamide;hydrochloride,C1=CC(=CC=C1C(=N)N)Cl.Cl,"InChI=1S/C7H7ClN2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H3,9,10);1H",RXAOGVQDNBYURA-UHFFFAOYSA-N,C7H8Cl2N2,191.05,190.0064537,,49.9,128,0,3,1,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Phenol, p-(methylsulfonyl)-",14763-60-1,123350,4-methylsulfonylphenol,CS(=O)(=O)C1=CC=C(C=C1)O,"InChI=1S/C7H8O3S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5,8H,1H3",KECCFSZFXLAGJS-UHFFFAOYSA-N,C7H8O3S,172.2,172.0194153,0.1,62.8,206,0,1,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isophthalonitrile, 2,4,6-trimethyl-, N,N'-dioxide",15138-43-9,27064,"2,4,6-trimethylbenzene-1,3-dicarbonitrile oxide",CC1=CC(=C(C(=C1C#[N+][O-])C)C#[N+][O-])C,"InChI=1S/C11H10N2O2/c1-7-4-8(2)11(6-13-15)9(3)10(7)5-12-14/h4H,1-3H3",YZHOPEMIKZYPJE-UHFFFAOYSA-N,C11H10N2O2,202.21,202.0742276,1.3,61.3,320,0,0,2,2,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Hydroquinone, 2,6-dimethoxy-",15233-65-5,96038,"2,6-dimethoxybenzene-1,4-diol",COC1=CC(=CC(=C1O)OC)O,"InChI=1S/C8H10O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4,9-10H,1-2H3",GXAVBFNRWXCOPY-UHFFFAOYSA-N,C8H10O4,170.16,170.0579088,0.2,58.9,125,0,2,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenebutanamide, alpha,gamma-dioxo-N-phenyl-",15431-98-8,263363,4-phenylbutanamide,C1=CC=C(C=C1)CCCC(=O)N,"InChI=1S/C10H13NO/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,11,12)",LEPWUMPXISBPIB-UHFFFAOYSA-N,C10H13NO,163.22,163.099714,1.4,43.1,139,0,1,1,4,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Sulfone, 2-chloroethyl p-chlorophenyl",16191-84-7,27745,1-chloro-4-(2-chloroethylsulfonyl)benzene,C1=CC(=CC=C1S(=O)(=O)CCCl)Cl,"InChI=1S/C8H8Cl2O2S/c9-5-6-13(11,12)8-3-1-7(10)2-4-8/h1-4H,5-6H2",KXQHTLXSDBXWNB-UHFFFAOYSA-N,C8H8Cl2O2S,239.12,237.9622061,2.5,42.5,237,0,0,2,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenesulfonyl chloride, 2,4-dichloro-",16271-33-3,204419,"2,4-dichlorobenzenesulfonyl chloride",C1=CC(=C(C=C1Cl)Cl)S(=O)(=O)Cl,"InChI=1S/C6H3Cl3O2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H",FDTPBIKNYWQLAE-UHFFFAOYSA-N,C6H3Cl3O2S,245.5,243.891934,3,42.5,246,0,0,2,1,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Boronic acid, (2-methylphenyl)-",16419-60-6,2733267,(2-methylphenyl)boronic acid,B(C1=CC=CC=C1C)(O)O,"InChI=1S/C7H9BO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5,9-10H,1H3",NSJVYHOPHZMZPN-UHFFFAOYSA-N,C7H9BO2,135.96,136.0695597,,40.5,106,0,2,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"p-Acetotoluidide, 2-chloro-",16634-82-5,27967,2-chloro-N-(4-methylphenyl)acetamide,CC1=CC=C(C=C1)NC(=O)CCl,"InChI=1S/C9H10ClNO/c1-7-2-4-8(5-3-7)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)",CITIOELQTFSEGI-UHFFFAOYSA-N,C9H10ClNO,183.63,183.0450916,2,29.1,153,0,1,1,2,12,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"Ethanesulfonamide, 2-phenyl-",16993-47-8,204808,2-phenylethanesulfonamide,C1=CC=C(C=C1)CCS(=O)(=O)N,"InChI=1S/C8H11NO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,9,10,11)",ROZCUVMFXOURIS-UHFFFAOYSA-N,C8H11NO2S,185.25,185.0510498,0.9,68.5,212,0,1,3,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Crotonic acid, 2-cyano-3-phenyl-, ethyl ester",18300-89-5,688203,ethyl (Z)-2-cyano-3-phenylbut-2-enoate,CCOC(=O)/C(=C(/C)\C1=CC=CC=C1)/C#N,"InChI=1S/C13H13NO2/c1-3-16-13(15)12(9-14)10(2)11-7-5-4-6-8-11/h4-8H,3H2,1-2H3/b12-10-",AJDOTEWSLNGINB-BENRWUELSA-N,C13H13NO2,215.25,215.0946287,3.1,50.1,329,0,0,3,4,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanol, 2,2'-(phenylimino)bis-, diacetate (ester)",19249-34-4,29521,2-[N-(2-acetyloxyethyl)anilino]ethyl acetate,CC(=O)OCCN(CCOC(=O)C)C1=CC=CC=C1,"InChI=1S/C14H19NO4/c1-12(16)18-10-8-15(9-11-19-13(2)17)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3",XQGHEXBVXWBMGC-UHFFFAOYSA-N,C14H19NO4,265.3,265.1314081,1.6,55.8,267,0,0,5,9,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, N'-(3-chloro-4-methoxyphenyl)-N,N-dimethyl-",19937-59-8,29863,"3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea",CN(C)C(=O)NC1=CC(=C(C=C1)OC)Cl,"InChI=1S/C10H13ClN2O2/c1-13(2)10(14)12-7-4-5-9(15-3)8(11)6-7/h4-6H,1-3H3,(H,12,14)",DSRNRYQBBJQVCW-UHFFFAOYSA-N,C10H13ClN2O2,228.67,228.0665554,1.6,41.6,223,0,1,2,2,15,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenethylamine, beta-methyl-, hydrochloride",20388-87-8,89332,2-phenylpropan-1-amine;hydrochloride,CC(CN)C1=CC=CC=C1.Cl,"InChI=1S/C9H13N.ClH/c1-8(7-10)9-5-3-2-4-6-9;/h2-6,8H,7,10H2,1H3;1H",HBVYOCJBEXSCQE-UHFFFAOYSA-N,C9H14ClN,171.67,171.0814771,,26,84,0,2,1,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, alpha,beta-dimethyl-",21906-17-2,210912,3-phenylbutan-2-amine,CC(C1=CC=CC=C1)C(C)N,"InChI=1S/C10H15N/c1-8(9(2)11)10-6-4-3-5-7-10/h3-9H,11H2,1-2H3",BKRHEVJTTWAYFJ-UHFFFAOYSA-N,C10H15N,149.23,149.1204495,2,26,105,0,1,1,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoyl chloride, 3,4,5-triiodo-",22205-68-1,31067,"3,4,5-triiodobenzoyl chloride",C1=C(C=C(C(=C1I)I)I)C(=O)Cl,InChI=1S/C7H2ClI3O/c8-7(12)3-1-4(9)6(11)5(10)2-3/h1-2H,JQFAXAVCAIBPIE-UHFFFAOYSA-N,C7H2ClI3O,518.25,517.6928,4.4,17.1,175,0,0,1,1,12,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1
"Carbamic acid, methyl-, ester with N'-(m-hydroxyphenyl)-N,N-dimethylformamidine",22259-30-9,31099,[3-(dimethylaminomethylideneamino)phenyl] N-methylcarbamate,CNC(=O)OC1=CC=CC(=C1)N=CN(C)C,"InChI=1S/C11H15N3O2/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3/h4-8H,1-3H3,(H,12,15)",RMFNNCGOSPBBAD-UHFFFAOYSA-N,C11H15N3O2,221.26,221.1164267,1.2,53.9,254,0,1,3,4,16,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Hydrocinnamonitrile, p-methoxy-",22442-48-4,519953,3-(4-methoxyphenyl)propanenitrile,COC1=CC=C(C=C1)CCC#N,"InChI=1S/C10H11NO/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7H,2-3H2,1H3",ORAXBZFDDWPRRD-UHFFFAOYSA-N,C10H11NO,161.2,161.084064,2.1,33,162,0,0,2,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 1,3-dichloro-2-(2-nitroethenyl)-",22482-43-5,5369223,"1,3-dichloro-2-[(E)-2-nitroethenyl]benzene",C1=CC(=C(C(=C1)Cl)/C=C/[N+](=O)[O-])Cl,InChI=1S/C8H5Cl2NO2/c9-7-2-1-3-8(10)6(7)4-5-11(12)13/h1-5H/b5-4+,VXNHQIKJDIOBEC-SNAWJCMRSA-N,C8H5Cl2NO2,218.03,216.9697338,3.4,45.8,205,0,0,2,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"m-Toluidine, 2,4,6-trinitro-",22603-58-3,96572,"3-methyl-2,4,6-trinitroaniline",CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N)[N+](=O)[O-],"InChI=1S/C7H6N4O6/c1-3-4(9(12)13)2-5(10(14)15)6(8)7(3)11(16)17/h2H,8H2,1H3",RSUBARQODWIKOQ-UHFFFAOYSA-N,C7H6N4O6,242.15,242.0287339,1.6,163,344,0,1,7,0,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzonitrile, 3,4-dimethyl-",22884-95-3,89884,"3,4-dimethylbenzonitrile",CC1=C(C=C(C=C1)C#N)C,"InChI=1S/C9H9N/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,1-2H3",OWISXYQFTOYGRO-UHFFFAOYSA-N,C9H9N,131.17,131.0734993,2.9,23.8,153,0,0,1,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phenethylamine, 2,5-dimethyl-",23068-44-2,211415,"2-(2,5-dimethylphenyl)ethanamine",CC1=CC(=C(C=C1)C)CCN,"InChI=1S/C10H15N/c1-8-3-4-9(2)10(7-8)5-6-11/h3-4,7H,5-6,11H2,1-2H3",RNEFNTMBBIKOFO-UHFFFAOYSA-N,C10H15N,149.23,149.1204495,2,26,111,0,1,1,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Methanesulfonamide, N-(4-chlorophenyl)-1,1,1-trifluoro-",23384-04-5,90083,"N-(4-chlorophenyl)-1,1,1-trifluoromethanesulfonamide",C1=CC(=CC=C1NS(=O)(=O)C(F)(F)F)Cl,"InChI=1S/C7H5ClF3NO2S/c8-5-1-3-6(4-2-5)12-15(13,14)7(9,10)11/h1-4,12H",BBAZFSJXFYFJDS-UHFFFAOYSA-N,C7H5ClF3NO2S,259.63,258.9681618,4,54.6,303,0,1,6,2,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-Propenoic acid, 3-(2,4,5-trimethoxyphenyl)-, (2E)-",24160-53-0,688363,"(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid",COC1=CC(=C(C=C1/C=C/C(=O)O)OC)OC,"InChI=1S/C12H14O5/c1-15-9-7-11(17-3)10(16-2)6-8(9)4-5-12(13)14/h4-7H,1-3H3,(H,13,14)/b5-4+",XCEGAEUDHJEYRY-SNAWJCMRSA-N,C12H14O5,238.24,238.0841235,1.8,65,276,0,1,5,5,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Salicylic acid, isopropyl ester, ester with O-methyl phosphoramidothioate",24353-61-5,90479,propan-2-yl 2-[amino(methoxy)phosphinothioyl]oxybenzoate,CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC,"InChI=1S/C11H16NO4PS/c1-8(2)15-11(13)9-6-4-5-7-10(9)16-17(12,18)14-3/h4-8H,1-3H3,(H2,12,18)",YFVOXLJXJBQDEF-UHFFFAOYSA-N,C11H16NO4PS,289.29,289.0537662,2.4,103,337,0,1,6,6,18,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 3,6-dichloro-2-methoxy-, compd. with 2,2'-iminobis(ethanol) (1:1)",25059-78-3,62789,"3,6-dichloro-2-methoxybenzoic acid;2-(2-hydroxyethylamino)ethanol",COC1=C(C=CC(=C1C(=O)O)Cl)Cl.C(CO)NCCO,"InChI=1S/C8H6Cl2O3.C4H11NO2/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;6-3-1-5-2-4-7/h2-3H,1H3,(H,11,12);5-7H,1-4H2",RAKSGYQDDJHPCC-UHFFFAOYSA-N,C12H17Cl2NO5,326.17,325.048378,,99,227,0,4,6,6,20,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbanilic acid, m-chloro-, allyl ester",25070-79-5,32780,prop-2-enyl N-(3-chlorophenyl)carbamate,C=CCOC(=O)NC1=CC(=CC=C1)Cl,"InChI=1S/C10H10ClNO2/c1-2-6-14-10(13)12-9-5-3-4-8(11)7-9/h2-5,7H,1,6H2,(H,12,13)",AKUHKJFFZQUCEH-UHFFFAOYSA-N,C10H10ClNO2,211.64,211.0400063,3.2,38.3,208,0,1,2,4,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Benzenediol, 2-((2E)-3,7-dimethyl-2,6-octadienyl)-5-pentyl-",25654-31-3,5315659,"2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol",CCCCCC1=CC(=C(C(=C1)O)C/C=C(\C)/CCC=C(C)C)O,"InChI=1S/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b17-12+",QXACEHWTBCFNSA-SFQUDFHCSA-N,C21H32O2,316.5,316.2402303,7.4,40.5,367,0,2,2,9,23,,,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Phenol,5-(diethylamino)-2-nitroso-, monohydrochloride",25953-06-4,33253,5-(diethylamino)-2-nitrosophenol;hydrochloride,CCN(CC)C1=CC(=C(C=C1)N=O)O.Cl,"InChI=1S/C10H14N2O2.ClH/c1-3-12(4-2)8-5-6-9(11-14)10(13)7-8;/h5-7,13H,3-4H2,1-2H3;1H",JFOYWYLGEUIHOJ-UHFFFAOYSA-N,C10H15ClN2O2,230.69,230.0822054,,52.9,183,0,2,4,3,15,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, thio-, S-(p-bromophenyl) ester",28122-76-1,34163,S-(4-bromophenyl) ethanethioate,CC(=O)SC1=CC=C(C=C1)Br,"InChI=1S/C8H7BrOS/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3",ZILDXZXTWVSRDE-UHFFFAOYSA-N,C8H7BrOS,231.11,229.9401,2.9,42.4,141,0,0,2,2,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Benzeneacetamide, N-(aminoiminomethyl)-2,6-dichloro-",29110-47-2,3519,"N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide",C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl,"InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)",INJOMKTZOLKMBF-UHFFFAOYSA-N,C9H9Cl2N3O,246.09,245.0122673,2,81.5,256,0,2,1,2,15,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Decanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-",31078-36-1,169252,N-[(4-hydroxy-3-methoxyphenyl)methyl]decanamide,CCCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC,"InChI=1S/C18H29NO3/c1-3-4-5-6-7-8-9-10-18(21)19-14-15-11-12-16(20)17(13-15)22-2/h11-13,20H,3-10,14H2,1-2H3,(H,19,21)",QLHTWDQJPOTDMV-UHFFFAOYSA-N,C18H29NO3,307.4,307.2147438,4.7,58.6,296,0,2,3,11,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0
"Propiophenone, 2-(tert-butylamino)-3'-chloro-, hydrochloride, (+-)-",31677-93-7,62884,2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrochloride,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C.Cl,"InChI=1S/C13H18ClNO.ClH/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10;/h5-9,15H,1-4H3;1H",HEYVINCGKDONRU-UHFFFAOYSA-N,C13H19Cl2NO,276.2,275.0843696,,29.1,247,0,2,2,4,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetanilide, 2'-ethyl-",33098-65-6,36332,N-(2-ethylphenyl)acetamide,CCC1=CC=CC=C1NC(=O)C,"InChI=1S/C10H13NO/c1-3-9-6-4-5-7-10(9)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)",ZXOVAGUQXNXKHF-UHFFFAOYSA-N,C10H13NO,163.22,163.099714,1.3,29.1,156,0,1,1,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 1-(3-chloro-4-(chlorodifluoromethylthio)phenyl)-3,3-dimethyl-",33439-45-1,36478,"3-[3-chloro-4-[chloro(difluoro)methyl]sulfanylphenyl]-1,1-dimethylurea",CN(C)C(=O)NC1=CC(=C(C=C1)SC(F)(F)Cl)Cl,"InChI=1S/C10H10Cl2F2N2OS/c1-16(2)9(17)15-6-3-4-8(7(11)5-6)18-10(12,13)14/h3-5H,1-2H3,(H,15,17)",YFEUKKUPOVGUIW-UHFFFAOYSA-N,C10H10Cl2F2N2OS,315.17,313.9858958,4,57.6,308,0,1,4,3,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Aniline, 2,6-dinitro-N,N-dipropyl-p-isopropyl-",33820-53-0,36606,"2,6-dinitro-4-propan-2-yl-N,N-dipropylaniline",CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(C)C)[N+](=O)[O-],"InChI=1S/C15H23N3O4/c1-5-7-16(8-6-2)15-13(17(19)20)9-12(11(3)4)10-14(15)18(21)22/h9-11H,5-8H2,1-4H3",NEKOXWSIMFDGMA-UHFFFAOYSA-N,C15H23N3O4,309.36,309.1688562,5.6,94.9,348,0,0,5,6,22,,,1,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, 2-chloro-N-(m-chlorophenethyl)-",34162-15-7,214756,2-chloro-N-[2-(3-chlorophenyl)ethyl]acetamide,C1=CC(=CC(=C1)Cl)CCNC(=O)CCl,"InChI=1S/C10H11Cl2NO/c11-7-10(14)13-5-4-8-2-1-3-9(12)6-8/h1-3,6H,4-5,7H2,(H,13,14)",TUSYMIGVUIFCMK-UHFFFAOYSA-N,C10H11Cl2NO,232.1,231.0217694,2.7,29.1,187,0,1,1,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Propanol, 2-amino-2-methyl-1-phenyl-",34405-42-0,26760,2-amino-2-methyl-1-phenylpropan-1-ol,CC(C)(C(C1=CC=CC=C1)O)N,"InChI=1S/C10H15NO/c1-10(2,11)9(12)8-6-4-3-5-7-8/h3-7,9,12H,11H2,1-2H3",QFTWUVJQXPFWNM-UHFFFAOYSA-N,C10H15NO,165.23,165.1153641,0.7,46.3,139,0,2,2,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butyric acid, 4-benzamido-",35340-63-7,37118,4-benzamidobutanoic acid,C1=CC=C(C=C1)C(=O)NCCCC(=O)O,"InChI=1S/C11H13NO3/c13-10(14)7-4-8-12-11(15)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,15)(H,13,14)",BOZHPKGNNJPZKV-UHFFFAOYSA-N,C11H13NO3,207.23,207.0895433,0.7,66.4,222,0,2,3,5,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Butenoic acid, 4-(4-fluorophenyl)-4-oxo-, (E)-",35504-85-9,693311,(E)-4-(4-fluorophenyl)-4-oxobut-2-enoic acid,C1=CC(=CC=C1C(=O)/C=C/C(=O)O)F,"InChI=1S/C10H7FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-6H,(H,13,14)/b6-5+",CMSWGWOQRTZZAS-AATRIKPKSA-N,C10H7FO3,194.16,194.0379222,1.6,54.4,252,0,1,4,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2',6'-Butyroxylidide, 2-(N-ethylpropylamino)-, hydrochloride, (+-)-",36637-19-1,9796823,"N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide;hydrochloride",CCCN(CC)C(CC)C(=O)NC1=C(C=CC=C1C)C.Cl,"InChI=1S/C17H28N2O.ClH/c1-6-12-19(8-3)15(7-2)17(20)18-16-13(4)10-9-11-14(16)5;/h9-11,15H,6-8,12H2,1-5H3,(H,18,20);1H",LMWQQUMMGGIGJQ-UHFFFAOYSA-N,C17H29ClN2O,312.9,312.1968412,,32.3,283,0,2,2,7,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamic acid, di-sec-butylthio-, S-benzyl ester",36756-79-3,37523,"S-benzyl N,N-di(butan-2-yl)carbamothioate",CCC(C)N(C(C)CC)C(=O)SCC1=CC=CC=C1,"InChI=1S/C16H25NOS/c1-5-13(3)17(14(4)6-2)16(18)19-12-15-10-8-7-9-11-15/h7-11,13-14H,5-6,12H2,1-4H3",PHSUVQBHRAWOQD-UHFFFAOYSA-N,C16H25NOS,279.4,279.1656856,4.4,45.6,253,0,0,2,7,19,,,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonic dichloride, (p-methoxyphenyl)-",37632-18-1,216711,1-dichlorophosphoryl-4-methoxybenzene,COC1=CC=C(C=C1)P(=O)(Cl)Cl,"InChI=1S/C7H7Cl2O2P/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3",LOFIFCKKPQFWSH-UHFFFAOYSA-N,C7H7Cl2O2P,225.01,223.9560718,2.5,26.3,184,0,0,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"Benzenemethanol, alpha-methyl-4-(2-methylpropyl)-",40150-92-3,181654,1-[4-(2-methylpropyl)phenyl]ethanol,CC(C)CC1=CC=C(C=C1)C(C)O,"InChI=1S/C12H18O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9-10,13H,8H2,1-3H3",VLVILBSSXMZZCB-UHFFFAOYSA-N,C12H18O,178.27,178.1357652,3.6,20.2,134,0,1,1,3,13,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"Acetamide, 2-chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)-",51218-49-6,91644,"2-chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide",CCCOCCN(C1=C(C=CC=C1CC)CC)C(=O)CCl,"InChI=1S/C17H26ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17-14(5-2)8-7-9-15(17)6-3/h7-9H,4-6,10-13H2,1-3H3",YLPGTOIOYRQOHV-UHFFFAOYSA-N,C17H26ClNO2,311.8,311.1652068,4.1,29.5,287,0,0,2,9,21,,,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"Phenol, 2-(2-chloro-1-methoxyethoxy)-, methylcarbamate",51487-69-5,40032,[2-(2-chloro-1-methoxyethoxy)phenyl] N-methylcarbamate,CNC(=O)OC1=CC=CC=C1OC(CCl)OC,"InChI=1S/C11H14ClNO4/c1-13-11(14)17-9-6-4-3-5-8(9)16-10(7-12)15-2/h3-6,10H,7H2,1-2H3,(H,13,14)",PITWUHDDNUVBPT-UHFFFAOYSA-N,C11H14ClNO4,259.68,259.0611356,1.3,56.8,240,0,1,4,6,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-Benzenedicarbonitrile, 3-nitro-",51762-67-5,162652,"3-nitrobenzene-1,2-dicarbonitrile",C1=CC(=C(C(=C1)[N+](=O)[O-])C#N)C#N,InChI=1S/C8H3N3O2/c9-4-6-2-1-3-8(11(12)13)7(6)5-10/h1-3H,UZJZIZFCQFZDHP-UHFFFAOYSA-N,C8H3N3O2,173.13,173.0225263,0.7,93.4,302,0,0,4,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 2-((ethylsulfonyl)methyl)-, methylcarbamate",53380-23-7,119490,[2-(ethylsulfonylmethyl)phenyl] N-methylcarbamate,CCS(=O)(=O)CC1=CC=CC=C1OC(=O)NC,"InChI=1S/C11H15NO4S/c1-3-17(14,15)8-9-6-4-5-7-10(9)16-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)",IOPTXXRNXCPJGO-UHFFFAOYSA-N,C11H15NO4S,257.31,257.0721791,0.6,80.9,347,0,1,4,5,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Aniline, 2,4-dimethoxy-, hydrochloride",54150-69-5,5284385,"2,4-dimethoxyaniline;hydrochloride",COC1=CC(=C(C=C1)N)OC.Cl,"InChI=1S/C8H11NO2.ClH/c1-10-6-3-4-7(9)8(5-6)11-2;/h3-5H,9H2,1-2H3;1H",PFHRGNBFRBWOPD-UHFFFAOYSA-N,C8H12ClNO2,189.64,189.0556563,,44.5,119,0,2,3,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanone, 1-(4-amino-3-hydroxyphenyl)-",54903-54-7,3042968,1-(4-amino-3-hydroxyphenyl)ethanone,CC(=O)C1=CC(=C(C=C1)N)O,"InChI=1S/C8H9NO2/c1-5(10)6-2-3-7(9)8(11)4-6/h2-4,11H,9H2,1H3",WZAPYTYGOKOEEK-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,0.6,63.3,158,0,2,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, 4-dimethylamino-alpha-methyl-, dihydrochloride",55875-55-3,3043611,"4-(2-aminopropyl)-N,N-dimethylaniline;dihydrochloride",CC(CC1=CC=C(C=C1)N(C)C)N.Cl.Cl,"InChI=1S/C11H18N2.2ClH/c1-9(12)8-10-4-6-11(7-5-10)13(2)3;;/h4-7,9H,8,12H2,1-3H3;2*1H",NWQNCALMMPMUFF-UHFFFAOYSA-N,C11H20Cl2N2,251.19,250.100354,,29.3,137,0,3,2,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenemethanesulfonic acid, sodium salt",57267-76-2,23668604,sodium phenylmethanesulfonate,C1=CC=C(C=C1)CS(=O)(=O)[O-].[Na+],"InChI=1S/C7H8O3S.Na/c8-11(9,10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,8,9,10);/q;+1/p-1",YNBRSWNUNPAQOF-UHFFFAOYSA-M,C7H7NaO3S,194.19,194.0013595,,65.6,201,0,0,3,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-Lysine, mono(alpha-methyl-4-(2-methylpropyl)benzeneacetate)",57469-77-9,9841440,"(2S)-2,6-diaminohexanoic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid",CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.C(CCN)C[C@@H](C(=O)O)N,"InChI=1S/C13H18O2.C6H14N2O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;7-4-2-1-3-5(8)6(9)10/h4-7,9-10H,8H2,1-3H3,(H,14,15);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1",IHHXIUAEPKVVII-ZSCHJXSPSA-N,C19H32N2O4,352.5,352.2362075,,127,309,0,4,6,9,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Octanamide, N-vanillyl-",58493-47-3,5316427,N-[(4-hydroxy-3-methoxyphenyl)methyl]octanamide,CCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC,"InChI=1S/C16H25NO3/c1-3-4-5-6-7-8-16(19)17-12-13-9-10-14(18)15(11-13)20-2/h9-11,18H,3-8,12H2,1-2H3,(H,17,19)",JYZDUDMWJFJCON-UHFFFAOYSA-N,C16H25NO3,279.37,279.1834437,3.6,58.6,270,0,2,3,9,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"Benzamide, o-propoxy-",59643-84-4,43051,2-propoxybenzamide,CCCOC1=CC=CC=C1C(=O)N,"InChI=1S/C10H13NO2/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h3-6H,2,7H2,1H3,(H2,11,12)",FAVIQMSTEFBUJX-UHFFFAOYSA-N,C10H13NO2,179.22,179.0946287,1.7,52.3,170,0,1,2,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-Pentanone, 5-methoxy-1-(4-(trifluoromethyl)phenyl)-, O-(2-aminoethyl)oxime,(E)-, (Z)-2-butenedioate (1:1)",61718-82-9,9560989,(Z)-but-2-enedioic acid;2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine,COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)C(F)(F)F.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C15H21F3N2O2.C4H4O4/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18;5-3(6)1-2-4(7)8/h5-8H,2-4,9-11,19H2,1H3;1-2H,(H,5,6)(H,7,8)/b20-14+;2-1-",LFMYNZPAVPMEGP-PIDGMYBPSA-N,C19H25F3N2O6,434.4,434.166471,,131,446,0,3,11,11,30,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,1,0,0,1,0,1
"1,3-Benzenediamine, 4-(1,1,2,2-tetrafluoroethoxy)-",61988-37-2,737095,"4-(1,1,2,2-tetrafluoroethoxy)benzene-1,3-diamine",C1=CC(=C(C=C1N)N)OC(C(F)F)(F)F,"InChI=1S/C8H8F4N2O/c9-7(10)8(11,12)15-6-2-1-4(13)3-5(6)14/h1-3,7H,13-14H2",GZBDTUVDCDMCDU-UHFFFAOYSA-N,C8H8F4N2O,224.16,224.0572755,2.2,61.3,215,0,2,7,3,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbamothioic acid, dimethyl-, S-(4-phenoxybutyl)ester",62850-32-2,44178,"S-(4-phenoxybutyl) N,N-dimethylcarbamothioate",CN(C)C(=O)SCCCCOC1=CC=CC=C1,"InChI=1S/C13H19NO2S/c1-14(2)13(15)17-11-7-6-10-16-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3",HMIBKHHNXANVHR-UHFFFAOYSA-N,C13H19NO2S,253.36,253.11365,3.3,54.8,215,0,0,3,7,17,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenemethanamine, 2-chloro-N-ethyl-6-fluoro-",62924-59-8,3034945,N-[(2-chloro-6-fluorophenyl)methyl]ethanamine,CCNCC1=C(C=CC=C1Cl)F,"InChI=1S/C9H11ClFN/c1-2-12-6-7-8(10)4-3-5-9(7)11/h3-5,12H,2,6H2,1H3",UYMQEQZDCJUWPU-UHFFFAOYSA-N,C9H11ClFN,187.64,187.0564052,2.4,12,132,0,1,2,3,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Benzyl alcohol, alpha-((1-ethylamino)ethyl)-, hydrochloride, (+-)-",63401-08-1,69340856,2-(ethylamino)-1-phenylpropan-1-ol;hydrochloride,CCNC(C)C(C1=CC=CC=C1)O.Cl,"InChI=1S/C11H17NO.ClH/c1-3-12-9(2)11(13)10-7-5-4-6-8-10;/h4-9,11-13H,3H2,1-2H3;1H",DHNCTQIFOGRFJF-UHFFFAOYSA-N,C11H18ClNO,215.72,215.1076919,,32.3,132,0,3,2,4,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Urea, 1-(5-chloro-2-methoxyphenyl)-2-thio-",63980-69-8,2732660,(5-chloro-2-methoxyphenyl)thiourea,COC1=C(C=C(C=C1)Cl)NC(=S)N,"InChI=1S/C8H9ClN2OS/c1-12-7-3-2-5(9)4-6(7)11-8(10)13/h2-4H,1H3,(H3,10,11,13)",SEMNHAXMORNHNR-UHFFFAOYSA-N,C8H9ClN2OS,216.69,216.0124118,2,79.4,191,0,2,2,2,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzene, 1,4-dichloro-2-(methylsulfonyl)-",66640-63-9,181822,"1,4-dichloro-2-methylsulfonylbenzene",CS(=O)(=O)C1=C(C=CC(=C1)Cl)Cl,"InChI=1S/C7H6Cl2O2S/c1-12(10,11)7-4-5(8)2-3-6(7)9/h2-4H,1H3",PBBNXJVBRMNLIN-UHFFFAOYSA-N,C7H6Cl2O2S,225.09,223.946556,2.2,42.5,245,0,0,2,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrazine, (2-(p-chlorophenoxy)ethyl)-, hydrochloride",69782-24-7,3053302,2-(4-chlorophenoxy)ethylhydrazine;hydrochloride,C1=CC(=CC=C1OCCNN)Cl.Cl,"InChI=1S/C8H11ClN2O.ClH/c9-7-1-3-8(4-2-7)12-6-5-11-10;/h1-4,11H,5-6,10H2;1H",PQTJCBUNRRSIQY-UHFFFAOYSA-N,C8H12Cl2N2O,223.1,222.0326684,,47.3,116,0,3,3,4,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzeneethanol, alpha-((diethylamino)methyl)-",71151-30-9,411826,1-(diethylamino)-3-phenylpropan-2-ol,CCN(CC)CC(CC1=CC=CC=C1)O,"InChI=1S/C13H21NO/c1-3-14(4-2)11-13(15)10-12-8-6-5-7-9-12/h5-9,13,15H,3-4,10-11H2,1-2H3",HNOTZJFCQWBXLJ-UHFFFAOYSA-N,C13H21NO,207.31,207.1623143,2.3,23.5,151,0,1,2,6,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, 2-(4-(trifluoromethoxy)phenoxy)-",72220-50-9,697705,2-[4-(trifluoromethoxy)phenoxy]acetic acid,C1=CC(=CC=C1OCC(=O)O)OC(F)(F)F,"InChI=1S/C9H7F3O4/c10-9(11,12)16-7-3-1-6(2-4-7)15-5-8(13)14/h1-4H,5H2,(H,13,14)",QHSBEEUEIRDHCD-UHFFFAOYSA-N,C9H7F3O4,236.14,236.0296432,2.4,55.8,233,0,1,7,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, 5-(bromoacetyl)-2-hydroxy-",73866-23-6,198556,5-(2-bromoacetyl)-2-hydroxybenzamide,C1=CC(=C(C=C1C(=O)CBr)C(=O)N)O,"InChI=1S/C9H8BrNO3/c10-4-8(13)5-1-2-7(12)6(3-5)9(11)14/h1-3,12H,4H2,(H2,11,14)",VXWSXLSUWGZOHD-UHFFFAOYSA-N,C9H8BrNO3,258.07,256.96876,1.5,80.4,244,0,2,3,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Stannane, tributyl(2,4,5-trichlorophenoxy)-",73927-98-7,16683766,"tributyl-(2,4,5-trichlorophenoxy)stannane",CCCC[Sn](CCCC)(CCCC)OC1=CC(=C(C=C1Cl)Cl)Cl,"InChI=1S/C6H3Cl3O.3C4H9.Sn/c7-3-1-5(9)6(10)2-4(3)8;3*1-3-4-2;/h1-2,10H;3*1,3-4H2,2H3;/q;;;;+1/p-1",FJUXTGREXZMJIU-UHFFFAOYSA-M,C18H29Cl3OSn,486.5,486.030601,,9.2,295,0,0,1,11,23,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,0
"L-Phenylalaninamide, L-prolyl-L-tyrosyl-D-alanylglycyl-",81733-83-7,445694,(2S)-2-amino-3-phenylpropanamide,C1=CC=C(C=C1)C[C@@H](C(=O)N)N,"InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m0/s1",OBSIQMZKFXFYLV-QMMMGPOBSA-N,C9H12N2O,164.2,164.094963,0.1,69.1,153,0,2,2,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanol, 2-((4-amino-2-methyl-5-nitrophenyl)amino)-",82576-75-8,9815715,2-(4-amino-2-methyl-5-nitroanilino)ethanol,CC1=CC(=C(C=C1NCCO)[N+](=O)[O-])N,"InChI=1S/C9H13N3O3/c1-6-4-7(10)9(12(14)15)5-8(6)11-2-3-13/h4-5,11,13H,2-3,10H2,1H3",LGZSBRSLVPLNTM-UHFFFAOYSA-N,C9H13N3O3,211.22,211.0956913,1.3,104,219,0,3,5,3,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Ethanol, 2-((3-amino-4-methoxyphenyl)amino)-, sulfate (1:1)",83763-48-8,14453744,2-(3-amino-4-methoxyanilino)ethanol;sulfuric acid,COC1=C(C=C(C=C1)NCCO)N.OS(=O)(=O)O,"InChI=1S/C9H14N2O2.H2O4S/c1-13-9-3-2-7(6-8(9)10)11-4-5-12;1-5(2,3)4/h2-3,6,11-12H,4-5,10H2,1H3;(H2,1,2,3,4)",GWHLYFOWAINYAH-UHFFFAOYSA-N,C9H16N2O6S,280.3,280.0729074,,150,225,0,5,8,4,18,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,0
"Ethanol, 2-(4-((2-aminoethyl)amino)-3-nitrophenoxy)-",85765-48-6,21909551,2-[4-(2-aminoethylamino)-3-nitrophenoxy]ethanol,C1=CC(=C(C=C1OCCO)[N+](=O)[O-])NCCN,"InChI=1S/C10H15N3O4/c11-3-4-12-9-2-1-8(17-6-5-14)7-10(9)13(15)16/h1-2,7,12,14H,3-6,11H2",WXGKXLXGYOYZMX-UHFFFAOYSA-N,C10H15N3O4,241.24,241.106256,0.6,113,234,0,3,6,6,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Phenethylamine, N-ethyl-p-methoxy-alpha-methyl-, hydrochloride",93963-24-7,198672,N-ethyl-1-(4-methoxyphenyl)propan-2-amine;hydrochloride,CCNC(C)CC1=CC=C(C=C1)OC.Cl,"InChI=1S/C12H19NO.ClH/c1-4-13-10(2)9-11-5-7-12(14-3)8-6-11;/h5-8,10,13H,4,9H2,1-3H3;1H",KWQLOEWGKCQLPR-UHFFFAOYSA-N,C12H20ClNO,229.74,229.123342,,21.3,141,0,2,2,5,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzaldehyde, 3,4-dihydroxy-5-nitro-",116313-85-0,5748957,"3,4-dihydroxy-5-nitrobenzaldehyde",C1=C(C=C(C(=C1[N+](=O)[O-])O)O)C=O,"InChI=1S/C7H5NO5/c9-3-4-1-5(8(12)13)7(11)6(10)2-4/h1-3,10-11H",BBFJODMCHICIAA-UHFFFAOYSA-N,C7H5NO5,183.12,183.0167723,1.1,103,213,0,2,5,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Boronic acid, (2,4,6-trifluorophenyl)-",182482-25-3,2779329,"(2,4,6-trifluorophenyl)boronic acid",B(C1=C(C=C(C=C1F)F)F)(O)O,"InChI=1S/C6H4BF3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,11-12H",IPEIGKHHSZFAEW-UHFFFAOYSA-N,C6H4BF3O2,175.9,176.025644,,40.5,146,0,2,5,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 4-(1-ethyl-1,3-dimethylpentyl)-",186825-36-5,53412055,"4-(3,5-dimethylheptan-3-yl)phenol",CCC(C)CC(C)(CC)C1=CC=C(C=C1)O,"InChI=1S/C15H24O/c1-5-12(3)11-15(4,6-2)13-7-9-14(16)10-8-13/h7-10,12,16H,5-6,11H2,1-4H3",RYIHVIPUIXFRNI-UHFFFAOYSA-N,C15H24O,220.35,220.1827154,5.7,20.2,194,0,1,1,5,16,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0
"Boronic acid, ((1R)-1-((2-((2,5-dichlorobenzoyl)amino)acetyl)amino)-3-methylbutyl)-",1072833-77-2,25183872,"[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]boronic acid",B([C@H](CC(C)C)NC(=O)CNC(=O)C1=C(C=CC(=C1)Cl)Cl)(O)O,"InChI=1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1",MXAYKZJJDUDWDS-LBPRGKRZSA-N,C14H19BCl2N2O4,361,360.0814926,,98.7,412,0,4,4,7,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Acetophenone, 4'-(2-(dimethylamino)ethoxy)-",,3026305,1-[4-[2-(dimethylamino)ethoxy]phenyl]ethanone,CC(=O)C1=CC=C(C=C1)OCCN(C)C,"InChI=1S/C12H17NO2/c1-10(14)11-4-6-12(7-5-11)15-9-8-13(2)3/h4-7H,8-9H2,1-3H3",BORAIMRIXNKUFQ-UHFFFAOYSA-N,C12H17NO2,207.27,207.1259288,1.6,29.5,196,0,0,3,5,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acrylic acid, 3-(p-methoxybenzoyl)-",,5355095,(E)-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid,COC1=CC=C(C=C1)C(=O)/C=C/C(=O)O,"InChI=1S/C11H10O4/c1-15-9-4-2-8(3-5-9)10(12)6-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-6+",WORYXBDHTBWLLL-VOTSOKGWSA-N,C11H10O4,206.19,206.0579088,1.5,63.6,262,0,1,4,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, 2-amino-5-bromo-",,5019271,2-amino-5-bromobenzamide,C1=CC(=C(C=C1Br)C(=O)N)N,"InChI=1S/C7H7BrN2O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H2,10,11)",LHAJKJQNMKXZSZ-UHFFFAOYSA-N,C7H7BrN2O,215.05,213.97418,1,69.1,163,0,2,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, o-amino-N-methyl-",,308072,2-amino-N-methylbenzamide,CNC(=O)C1=CC=CC=C1N,"InChI=1S/C8H10N2O/c1-10-8(11)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3,(H,10,11)",KIMWOULVHFLJIU-UHFFFAOYSA-N,C8H10N2O,150.18,150.0793129,0.6,55.1,147,0,2,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene-d, 3,5-dimethyl-4-nitroso-",,123097,deuteriobenzene,[2H]C1=CC=CC=C1,InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,UHOVQNZJYSORNB-MICDWDOJSA-N,C6H6,79.12,79.05322694,2.1,0,15,0,0,0,0,6,,,0,0,0,0,1,1,0,1,1,0,1,0,0,0,0,0,1,0,1,0
"Benzenesulfonamide, 4-(methylthio)-",,3027302,4-methylsulfanylbenzenesulfonamide,CSC1=CC=C(C=C1)S(=O)(=O)N,"InChI=1S/C7H9NO2S2/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)",DKCWFFVGFICMGR-UHFFFAOYSA-N,C7H9NO2S2,203.3,203.0074709,1.2,93.8,224,0,1,4,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, o-(2-hydroxyethoxy)-",,3027507,2-(2-hydroxyethoxy)benzoic acid,C1=CC=C(C(=C1)C(=O)O)OCCO,"InChI=1S/C9H10O4/c10-5-6-13-8-4-2-1-3-7(8)9(11)12/h1-4,10H,5-6H2,(H,11,12)",ZRPKEUVFESZUKX-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,0.9,66.8,169,0,2,4,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Formamidine, N-methyl-N'-(2,4-xylyl)-, hydrochloride",,171053,"N-(2,4-dimethylphenyl)-N'-methylmethanimidamide;hydrochloride",CC1=CC(=C(C=C1)NC=NC)C.Cl,"InChI=1S/C10H14N2.ClH/c1-8-4-5-10(9(2)6-8)12-7-11-3;/h4-7H,1-3H3,(H,11,12);1H",VXSNJXDZTGFDMB-UHFFFAOYSA-N,C10H15ClN2,198.69,198.0923762,,24.4,154,0,2,1,2,13,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"m-Toluenesulfonamide, 4-chloro-6-mercapto-N-(2-imidazolin-2-yl)-",,74697,3-methylbenzenesulfonamide,CC1=CC(=CC=C1)S(=O)(=O)N,"InChI=1S/C7H9NO2S/c1-6-3-2-4-7(5-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)",NVZINPVISUVPHW-UHFFFAOYSA-N,C7H9NO2S,171.22,171.0353997,0.8,68.5,217,0,1,3,1,11,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DEOXYCHOLIC ACID,000083-44-3,222528,"(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,"InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1",KXGVEGMKQFWNSR-LLQZFEROSA-N,C24H40O4,392.6,392.2926598,4.9,77.8,605,0,3,4,4,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DEOXYCHOLIC ACID SODIUM MONOHYDRATE,145224-92-6,23679071,"sodium;(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;hydrate",C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.O.[Na+],"InChI=1S/C24H40O4.Na.H2O/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);;1H2/q;+1;/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;;/m1../s1",NDVHNZISGVSFMP-WTCAICSISA-M,C24H41NaO5,432.6,432.2851687,,81.6,612,0,3,5,4,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
CHENODEOXYCHOLIC ACID SODIUM,002646-38-0,23696998,"sodium (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate",C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+],"InChI=1S/C24H40O4.Na/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26;/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-;/m1./s1",WDFRNBJHDMUMBL-OICFXQLMSA-M,C24H39NaO4,414.6,414.274604,,80.6,612,0,2,4,4,29,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
METHYL CHOLATE,001448-36-8,10960835,"methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate",C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,"InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1",DLYVTEULDNMQAR-SRNOMOOLSA-N,C25H42O5,422.6,422.3032244,3.9,87,651,0,3,5,5,30,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CHENODIOL,000474-25-9,10133,"(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,"InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1",RUDATBOHQWOJDD-BSWAIDMHSA-N,C24H40O4,392.6,392.2926598,4.9,77.8,605,0,3,4,4,28,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"ETHANESULFONIC ACID, 2-[[(3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)-3,7,12-TRIHYDRO",000081-24-3,6675,"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid",C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,"InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1",WBWWGRHZICKQGZ-HZAMXZRMSA-N,C26H45NO7S,515.7,515.291674,2.2,153,891,0,5,7,7,35,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
GANAXOLONE,038398-32-2,6918305,"1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone",CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@](C4)(C)O)C)C,"InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3/t15-,16-,17+,18-,19-,20+,21-,22+/m0/s1",PGTVWKLGGCQMBR-FLBATMFCSA-N,C22H36O2,332.5,332.2715304,5,37.3,542,0,1,2,1,24,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CHOLIC ACID,000081-25-4,221493,"(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,"InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1",BHQCQFFYRZLCQQ-OELDTZBJSA-N,C24H40O5,408.6,408.2875744,3.6,98,637,0,4,5,4,29,,,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
TAUROCHOLIC ACID SODIUM,000145-42-6,23666345,"sodium 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate",C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.[Na+],"InChI=1S/C26H45NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;/m1./s1",JAJWGJBVLPIOOH-IZYKLYLVSA-M,C26H44NNaO7S,537.7,537.2736182,,155,897,0,4,7,7,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LITHOCHOLIC ACID,000434-13-9,9903,"(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C,"InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1",SMEROWZSTRWXGI-HVATVPOCSA-N,C24H40O3,376.6,376.2977451,6.3,57.5,574,0,2,3,4,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TAUROCHENODEOXYCHOLIC ACID SODIUM,006009-98-9,23664008,"sodium 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate",C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+],"InChI=1S/C26H45NO6S.Na/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29;/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-;/m1./s1",IYPNVUSIMGAJFC-HLEJRKHJSA-M,C26H44NNaO6S,521.7,521.2787036,,135,864,0,3,6,7,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CHAPS,075621-03-3,107670,"3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azaniumyl]propane-1-sulfonate",C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,"InChI=1S/C32H58N2O7S/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36/h21-28,30,35-37H,6-20H2,1-5H3,(H-,33,38,39,40,41)/t21-,22+,23-,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1",UMCMPZBLKLEWAF-BCTGSCMUSA-N,C32H58N2O7S,614.9,614.3964734,2.9,155,1030,0,4,7,11,42,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TAUROCHOLIC ACID SODIUM SALT HYDRATE,345909-26-4,23687511,"sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate;hydrate",C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.O.[Na+],"InChI=1S/C26H45NO7S.Na.H2O/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);;1H2/q;+1;/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;;/m1../s1",RDAJAQDLEFHVNR-NEMAEHQESA-M,C26H46NNaO8S,555.7,555.2841829,,156,897,0,5,8,7,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-beta-Cholan-24-oic acid, 3-alpha,7-beta-dihydroxy-",000128-13-2,31401,"(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,"InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1",RUDATBOHQWOJDD-UZVSRGJWSA-N,C24H40O4,392.6,392.2926598,4.9,77.8,605,0,3,4,4,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"5-alpha-Androstane-3-beta,17-beta-diol",000571-20-0,242332,"(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol",C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O,"InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17-,18-,19-/m0/s1",CBMYJHIOYJEBSB-YSZCXEEOSA-N,C19H32O2,292.5,292.2402303,4.2,40.5,422,0,2,2,0,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"N,N-BIS-(3-D-GULCONAMIDOPROPYL)DEOXYCHOLAMIDE",086303-23-3,446320,"(2R,3S,4R,5R)-N-[3-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]-[3-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl]amino]propyl]-2,3,4,5,6-pentahydroxyhexanamide",C[C@H](CCC(=O)N(CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,"InChI=1S/C42H75N3O15/c1-22(26-9-10-27-25-8-7-23-18-24(48)12-13-41(23,2)28(25)19-31(51)42(26,27)3)6-11-32(52)45(16-4-14-43-39(59)37(57)35(55)33(53)29(49)20-46)17-5-15-44-40(60)38(58)36(56)34(54)30(50)21-47/h22-31,33-38,46-51,53-58H,4-21H2,1-3H3,(H,43,59)(H,44,60)/t22-,23-,24-,25+,26-,27+,28+,29-,30-,31+,33-,34-,35+,36+,37-,38-,41+,42-/m1/s1",OJSUWTDDXLCUFR-HGZMBBKESA-N,C42H75N3O15,862.1,861.5198187,-2.1,321,1350,0,14,15,22,60,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM CHOLATE,000361-09-1,23668194,"sodium (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate",C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.[Na+],"InChI=1S/C24H40O5.Na/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-;/m1./s1",NRHMKIHPTBHXPF-TUJRSCDTSA-M,C24H39NaO5,430.6,430.2695186,,101,643,0,3,5,4,30,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"17ALPHA-METHYL-3ALPHA,17BETA-DIHYDROXY-5ALPHA-ANDROSTANE",000641-82-7,242493,"(3R,5S,8R,9S,10S,13S,14S,17S)-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol",C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C)O,"InChI=1S/C20H34O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13-17,21-22H,4-12H2,1-3H3/t13-,14+,15+,16-,17-,18-,19-,20-/m0/s1",QGKQXZFZOIQFBI-XSWYFRFISA-N,C20H34O2,306.5,306.2558803,4.3,40.5,463,0,2,2,0,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"5-beta-Pregnan-20-one, 3-alpha-hydroxy-",128-20-1,31402,"1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone",CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1",AURFZBICLPNKBZ-YZRLXODZSA-N,C21H34O2,318.5,318.2558803,4.9,37.3,500,0,1,2,1,23,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Glycine, N-(3-alpha,12-alpha-dihydroxy-5-beta-cholan-24-yl)-",360-65-6,3035026,"2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid",C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,"InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1",WVULKSPCQVQLCU-BUXLTGKBSA-N,C26H43NO5,449.6,449.3141235,4.3,107,727,0,4,5,6,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanesulfonic acid, 2-(((3-alpha,5-beta,7-beta)-3,7-dihydroxy-24-oxocholan-24-yl)amino)-",14605-22-2,9848818,"2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid",C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,"InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1",BHTRKEVKTKCXOH-LBSADWJPSA-N,C26H45NO6S,499.7,499.2967593,3.6,132,858,0,4,6,7,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Dammar-24-ene-3,12,20-triol, (3-beta,12-beta,20S)-",30636-90-9,11213350,"(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol",CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)O)C)O)C,"InChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24-,25-,27-,28+,29+,30-/m0/s1",PYXFVCFISTUSOO-HKUCOEKDSA-N,C30H52O3,460.7,460.3916455,7.2,60.7,783,0,3,3,4,33,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cholan-24-oic acid, 6-ethyl-3,7-dihydroxy-, (3-alpha,5-beta,6-alpha,7-alpha)-",459789-99-2,447715,"(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O,"InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1",ZXERDUOLZKYMJM-ZWECCWDJSA-N,C26H44O4,420.6,420.3239599,5.7,77.8,649,0,3,4,5,30,,562.9±25,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,1
TAURODEOXYCHOLIC ACID SODIUM,001180-95-6,23664773,"sodium 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate",C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+],"InChI=1S/C26H45NO6S.Na/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-;/m1./s1",YXHRQQJFKOHLAP-FVCKGWAHSA-M,C26H44NNaO6S,521.7,521.2787036,,135,864,0,3,6,7,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM GLYCODEOXYCHOLATE,016409-34-0,23688465,"sodium 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate",C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+],"InChI=1S/C26H43NO5.Na/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3;/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-;/m1./s1",VMSNAUAEKXEYGP-YEUHZSMFSA-M,C26H42NNaO5,471.6,471.2960677,,110,733,0,3,5,6,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIOL,,219833,"(3R,5R,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol",C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C)O,"InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15+,16-,17+,18-,19-,20-,21+/m0/s1",YWYQTGBBEZQBGO-BERLURQNSA-N,C21H36O2,320.5,320.2715304,5.2,40.5,463,0,2,2,1,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-alpha-Androstane-3-alpha,17-beta-diol",001852-53-5,15818,"(3R,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol",C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O,"InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18-,19-/m0/s1",CBMYJHIOYJEBSB-KHOSGYARSA-N,C19H32O2,292.5,292.2402303,4.2,40.5,422,0,2,2,0,21,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Ethanesulfonic acid, 2-(((3-alpha,5-beta,7-alpha,20R)-3,7-dihydroxy-24-oxocholan-24-yl)amino)-",516-35-8,387316,"2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid",C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,"InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1",BHTRKEVKTKCXOH-BJLOMENOSA-N,C26H45NO6S,499.7,499.2967593,3.6,132,858,0,4,6,7,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
THORIN,003688-92-4,77269,"disodium;4-[(2-arsonophenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonate",C1=CC=C(C(=C1)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)[O-])S(=O)(=O)[O-])[As](=O)(O)O.[Na+].[Na+],"InChI=1S/C16H13AsN2O10S2.2Na/c20-16-14(31(27,28)29)8-9-7-10(30(24,25)26)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21,22)23;;/h1-8,20H,(H2,21,22,23)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",DCSRPHQBFSYJNN-UHFFFAOYSA-L,C16H11AsN2Na2O10S2,576.3,575.886645,,234,912,0,3,12,3,33,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 4-[(2-ARSONOPHENYL)AZO]-3-HYDROXY-",000132-33-2,77270,"4-[(2-arsonophenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid",C1=CC=C(C(=C1)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O)[As](=O)(O)O,"InChI=1S/C16H13AsN2O10S2/c20-16-14(31(27,28)29)8-9-7-10(30(24,25)26)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21,22)23/h1-8,20H,(H2,21,22,23)(H,24,25,26)(H,27,28,29)",XQVKLMRIZCRVPO-UHFFFAOYSA-N,C16H13AsN2O10S2,532.3,531.922757,,228,938,0,5,12,5,31,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENECARBOXYLIC ACID, 3-HYDROXY-4-[(4-METHYL-2-SULFOPHENYL)AZO]-, BARI",017852-98-1,135462879,barium(2+);2-[(3-carboxy-2-oxidonaphthalen-1-yl)diazenyl]-5-methylbenzenesulfonate,CC1=CC(=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)[O-])S(=O)(=O)[O-].[Ba+2],"InChI=1S/C18H14N2O6S.Ba/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);/q;+2/p-2",GSEGKBMSKPDICA-UHFFFAOYSA-L,C18H12BaN2O6S,521.7,521.946854,,151,663,0,1,8,3,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENESULFONIC ACID, 6-AMINO-5-[[4-[(2-BROMO-1-OXO-2-PROPENYL)AMINO]-2-",070210-40-1,166128,disodium;6-amino-5-[[4-(2-bromoprop-2-enoylamino)-2-sulfonatophenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate,C=C(C(=O)NC1=CC(=C(C=C1)N=NC2=C(C=CC3=CC(=CC(=C32)O)S(=O)(=O)[O-])N)S(=O)(=O)[O-])Br.[Na+].[Na+],"InChI=1S/C19H15BrN4O8S2.2Na/c1-9(20)19(26)22-11-3-5-14(16(7-11)34(30,31)32)23-24-18-13(21)4-2-10-6-12(33(27,28)29)8-15(25)17(10)18;;/h2-8,25H,1,21H2,(H,22,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2",TVBHTRRBFCNJGD-UHFFFAOYSA-L,C19H13BrN4Na2O8S2,615.3,613.91536,,231,999,0,3,11,4,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0
CALMAGITE,003147-14-6,2530,3-hydroxy-4-[(2-hydroxy-5-methylphenyl)diazenyl]naphthalene-1-sulfonic acid,CC1=CC(=C(C=C1)O)N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)O)O,"InChI=1S/C17H14N2O5S/c1-10-6-7-14(20)13(8-10)18-19-17-12-5-3-2-4-11(12)16(9-15(17)21)25(22,23)24/h2-9,20-21H,1H3,(H,22,23,24)",VBRNLOQCBCPPHL-UHFFFAOYSA-N,C17H14N2O5S,358.4,358.0623427,3.4,128,590,0,3,7,3,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ACID RED 37,006360-07-2,80697,disodium;5-[(4-acetamido-2-sulfonatophenyl)diazenyl]-6-amino-4-hydroxynaphthalene-2-sulfonate,CC(=O)NC1=CC(=C(C=C1)N=NC2=C(C=CC3=CC(=CC(=C32)O)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C18H16N4O8S2.2Na/c1-9(23)20-11-3-5-14(16(7-11)32(28,29)30)21-22-18-13(19)4-2-10-6-12(31(25,26)27)8-15(24)17(10)18;;/h2-8,24H,19H2,1H3,(H,20,23)(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",YAGIKUGDXINHLL-UHFFFAOYSA-L,C18H14N4Na2O8S2,524.4,524.0048443,,231,903,0,3,11,3,34,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-NAPHTHALENAMINE, 4-(PHENYLAZO)-",000131-22-6,8562,4-phenyldiazenylnaphthalen-1-amine,C1=CC=C(C=C1)N=NC2=CC=C(C3=CC=CC=C32)N,"InChI=1S/C16H13N3/c17-15-10-11-16(14-9-5-4-8-13(14)15)19-18-12-6-2-1-3-7-12/h1-11H,17H2",IICHURGZQPGTRD-UHFFFAOYSA-N,C16H13N3,247.29,247.1109474,4.3,50.7,309,0,1,3,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOIC ACID, 2-[(2-HYDROXY-3,6-DISULFO-1-NAPHTHALENYL)AZO]-, TRISODIUM SALT",001836-22-2,135565636,"trisodium;4-[(2-carboxyphenyl)diazenyl]-3-oxidonaphthalene-2,7-disulfonate",C1=CC=C(C(=C1)C(=O)O)N=NC2=C3C=CC(=CC3=CC(=C2[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+],"InChI=1S/C17H12N2O9S2.3Na/c20-16-14(30(26,27)28)8-9-7-10(29(23,24)25)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21)22;;;/h1-8,20H,(H,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1/p-3",RBKBGHZMNFTKRE-UHFFFAOYSA-K,C17H9N2Na3O9S2,518.4,517.9442551,,216,851,0,1,11,3,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-NAPHTHALENOL, 4-[(4-NITROPHENYL)AZO]-",005290-62-0,79174,4-[(4-nitrophenyl)diazenyl]naphthalen-1-ol,C1=CC=C2C(=C1)C(=CC=C2O)N=NC3=CC=C(C=C3)[N+](=O)[O-],"InChI=1S/C16H11N3O3/c20-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)19(21)22/h1-10,20H",MDLLSWJQIIAUQU-UHFFFAOYSA-N,C16H11N3O3,293.28,293.0800412,4.4,90.8,415,0,1,5,2,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 3-[[4-(DIMETHYLAMINO)-1-NAPHTHALENYL]AZO]-4-METHOXY-",062758-14-9,112940,3-[[4-(dimethylamino)naphthalen-1-yl]diazenyl]-4-methoxybenzenesulfonic acid,CN(C)C1=CC=C(C2=CC=CC=C21)N=NC3=C(C=CC(=C3)S(=O)(=O)O)OC,"InChI=1S/C19H19N3O4S/c1-22(2)18-10-9-16(14-6-4-5-7-15(14)18)20-21-17-12-13(27(23,24)25)8-11-19(17)26-3/h4-12H,1-3H3,(H,23,24,25)",YSWLWOIMNIOBLV-UHFFFAOYSA-N,C19H19N3O4S,385.4,385.1096273,3.8,99.9,619,0,1,7,5,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,7-NAPHTHALENEDISULFONIC ACID, 4-[(2,4-DIHYDROXYPHENYL)AZO]-5-HYDROXY-, DISOD",063589-22-0,113366,"disodium;4-[(2,4-dihydroxyphenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate",C1=CC(=C(C=C1O)O)N=NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C16H12N2O9S2.2Na/c19-9-1-2-12(14(20)5-9)17-18-13-6-10(28(22,23)24)3-8-4-11(29(25,26)27)7-15(21)16(8)13;;/h1-7,19-21H,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",KBLGETIFHKVSQU-UHFFFAOYSA-L,C16H10N2Na2O9S2,484.4,483.9623108,,217,794,0,3,11,2,31,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-NAPHTHALENESULFONIC ACID, 3-HYDROXY-4-[(2-HYDROXY-5-METHYLPHENYL)AZO]-, COMP",091698-30-5,174837,2-[bis(2-hydroxyethyl)amino]ethanol;3-hydroxy-4-[(2-hydroxy-5-methylphenyl)diazenyl]naphthalene-1-sulfonic acid,CC1=CC(=C(C=C1)O)N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)O)O.C(CO)N(CCO)CCO,"InChI=1S/C17H14N2O5S.C6H15NO3/c1-10-6-7-14(20)13(8-10)18-19-17-12-5-3-2-4-11(12)16(9-15(17)21)25(22,23)24;8-4-1-7(2-5-9)3-6-10/h2-9,20-21H,1H3,(H,22,23,24);8-10H,1-6H2",NOCQPFRKSJKVKW-UHFFFAOYSA-N,C23H29N3O8S,507.6,507.1675361,,192,646,0,6,11,9,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENAMINIUM, 8-[(4-AMINOPHENYL)AZO]-7-HYDROXY-N,N,N-TRIMETHYL-, CHLORI",026381-41-9,117785,[8-[(4-aminophenyl)diazenyl]-7-hydroxynaphthalen-2-yl]-trimethylazanium chloride,C[N+](C)(C)C1=CC2=C(C=C1)C=CC(=C2N=NC3=CC=C(C=C3)N)O.[Cl-],"InChI=1S/C19H20N4O.ClH/c1-23(2,3)16-10-4-13-5-11-18(24)19(17(13)12-16)22-21-15-8-6-14(20)7-9-15;/h4-12H,1-3H3,(H2-,20,21,22,24);1H",UXEAWNJALIUYRH-UHFFFAOYSA-N,C19H21ClN4O,356.8,356.140389,,71,439,0,2,5,3,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"2-NAPHTHALENOL, 1-[(4-METHOXY-2-NITROPHENYL)AZO]-",049744-28-7,162577,1-[(4-methoxy-2-nitrophenyl)diazenyl]naphthalen-2-ol,COC1=CC(=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O)[N+](=O)[O-],"InChI=1S/C17H13N3O4/c1-24-12-7-8-14(15(10-12)20(22)23)18-19-17-13-5-3-2-4-11(13)6-9-16(17)21/h2-10,21H,1H3",XKCBOKJVKUTYEH-UHFFFAOYSA-N,C17H13N3O4,323.3,323.0906059,4.4,100,467,0,1,6,3,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-NAPHTHALENESULFONIC ACID, 5-[[4-(ACETYLAMINO)-2-(TRIFLUOROMETHYL)PHENYL]AZO]",075198-93-5,135764936,sodium 5-[[4-acetamido-2-(trifluoromethyl)phenyl]diazenyl]-6-amino-4-hydroxynaphthalene-2-sulfonate,CC(=O)NC1=CC(=C(C=C1)N=NC2=C(C=CC3=CC(=CC(=C32)O)S(=O)(=O)[O-])N)C(F)(F)F.[Na+],"InChI=1S/C19H15F3N4O5S.Na/c1-9(27)24-11-3-5-15(13(7-11)19(20,21)22)25-26-18-14(23)4-2-10-6-12(32(29,30)31)8-16(28)17(10)18;/h2-8,28H,23H2,1H3,(H,24,27)(H,29,30,31);/q;+1/p-1",CGUIEABQHWOFCD-UHFFFAOYSA-M,C19H14F3N4NaO5S,490.4,490.0534695,,166,825,0,3,11,4,33,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
C.I. PIGMENT RED 3,002425-85-6,17047,1-[(4-methyl-2-nitrophenyl)diazenyl]naphthalen-2-ol,CC1=CC(=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O)[N+](=O)[O-],"InChI=1S/C17H13N3O3/c1-11-6-8-14(15(10-11)20(22)23)18-19-17-13-5-3-2-4-12(13)7-9-16(17)21/h2-10,21H,1H3",ZLFVRXUOSPRRKQ-UHFFFAOYSA-N,C17H13N3O3,307.3,307.0956913,4.8,90.8,451,0,1,5,2,23,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
C. I. PIGMENT RED 4,002814-77-9,17778,1-[(2-chloro-4-nitrophenyl)diazenyl]naphthalen-2-ol,C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)O,"InChI=1S/C16H10ClN3O3/c17-13-9-11(20(22)23)6-7-14(13)18-19-16-12-4-2-1-3-10(12)5-8-15(16)21/h1-9,21H",XLTMWFMRJZDFFD-UHFFFAOYSA-N,C16H10ClN3O3,327.72,327.0410689,5,90.8,456,0,1,5,2,23,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-[(2,4-DINITROPHENYL)AZO]-2-NAPHTHALENOL",003468-63-1,18981,"1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol",C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])O,"InChI=1S/C16H10N4O5/c21-15-8-5-10-3-1-2-4-12(10)16(15)18-17-13-7-6-11(19(22)23)9-14(13)20(24)25/h1-9,21H",HBHZKFOUIUMKHV-UHFFFAOYSA-N,C16H10N4O5,338.27,338.0651194,4.3,137,532,0,1,7,2,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENESULFONIC ACID, 6-AMINO-5-[[4-CHLORO-2-(TRIFLUOROMETHYL)PHENYL]AZO",057741-47-6,135580645,sodium 6-amino-5-[[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate,C1=CC(=C(C2=C(C=C(C=C21)S(=O)(=O)[O-])O)N=NC3=C(C=C(C=C3)Cl)C(F)(F)F)N.[Na+],"InChI=1S/C17H11ClF3N3O4S.Na/c18-9-2-4-13(11(6-9)17(19,20)21)23-24-16-12(22)3-1-8-5-10(29(26,27)28)7-14(25)15(8)16;/h1-7,25H,22H2,(H,26,27,28);/q;+1/p-1",GVLHHJPRNMDLLL-UHFFFAOYSA-M,C17H10ClF3N3NaO4S,467.8,466.9930334,,137,724,0,2,10,3,30,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENECARBOXYLIC ACID, 3-HYDROXY-4-[(4-METHYL-2-SULFOPHENYL)AZO]-",016014-23-6,22139,3-hydroxy-4-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid,CC1=CC(=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)O)S(=O)(=O)O,"InChI=1S/C18H14N2O6S/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23/h2-9,21H,1H3,(H,22,23)(H,24,25,26)",JYNBEDVXQNFTOX-UHFFFAOYSA-N,C18H14N2O6S,386.4,386.0572573,3.8,145,676,0,3,8,4,27,,,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0
"1-NAPHTHALENOL, 4-[(2-METHYLPHENYL)AZO]-",005098-94-2,62562,4-[(2-methylphenyl)diazenyl]naphthalen-1-ol,CC1=CC=CC=C1N=NC2=CC=C(C3=CC=CC=C32)O,"InChI=1S/C17H14N2O/c1-12-6-2-5-9-15(12)18-19-16-10-11-17(20)14-8-4-3-7-13(14)16/h2-11,20H,1H3",PYFMJAMMVDSYFT-UHFFFAOYSA-N,C17H14N2O,262.3,262.1106131,5,45,344,0,1,3,2,20,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENOL, 1-[(2,5-DIMETHOXYPHENYL)AZO]-",006358-53-8,22830,"1-[(2,5-dimethoxyphenyl)diazenyl]naphthalen-2-ol",COC1=CC(=C(C=C1)OC)N=NC2=C(C=CC3=CC=CC=C32)O,"InChI=1S/C18H16N2O3/c1-22-13-8-10-17(23-2)15(11-13)19-20-18-14-6-4-3-5-12(14)7-9-16(18)21/h3-11,21H,1-2H3",GJUABKCEXOMRPQ-UHFFFAOYSA-N,C18H16N2O3,308.3,308.1160924,4.5,63.4,404,0,1,5,4,23,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-(O-TOLYLAZO)-2-NAPHTHOL,002646-17-5,17550,1-[(2-methylphenyl)diazenyl]naphthalen-2-ol,CC1=CC=CC=C1N=NC2=C(C=CC3=CC=CC=C32)O,"InChI=1S/C17H14N2O/c1-12-6-2-5-9-15(12)18-19-17-14-8-4-3-7-13(14)10-11-16(17)20/h2-11,20H,1H3",BQFCCCIRTOLPEF-UHFFFAOYSA-N,C17H14N2O,262.3,262.1106131,5,45,344,0,1,3,2,20,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENESULFONIC ACID, 8-AMINO-5-[(4-AMINOPHENYL)AZO]-",000085-67-6,66565,8-amino-5-[(4-aminophenyl)diazenyl]naphthalene-2-sulfonic acid,C1=CC(=CC=C1N)N=NC2=C3C=CC(=CC3=C(C=C2)N)S(=O)(=O)O,"InChI=1S/C16H14N4O3S/c17-10-1-3-11(4-2-10)19-20-16-8-7-15(18)14-9-12(24(21,22)23)5-6-13(14)16/h1-9H,17-18H2,(H,21,22,23)",PUFPLSIDSWPRQM-UHFFFAOYSA-N,C16H14N4O3S,342.4,342.0786615,2.3,140,554,0,3,7,3,24,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"2-NAPHTHALENESULFONIC ACID, 6-AMINO-4-HYDROXY-5-[[2-(TRIFLUOROMETHYL)PHENYL]AZ",067786-14-5,135565106,sodium 6-amino-4-hydroxy-5-[[2-(trifluoromethyl)phenyl]diazenyl]naphthalene-2-sulfonate,C1=CC=C(C(=C1)C(F)(F)F)N=NC2=C(C=CC3=CC(=CC(=C32)O)S(=O)(=O)[O-])N.[Na+],"InChI=1S/C17H12F3N3O4S.Na/c18-17(19,20)11-3-1-2-4-13(11)22-23-16-12(21)6-5-9-7-10(28(25,26)27)8-14(24)15(9)16;/h1-8,24H,21H2,(H,25,26,27);/q;+1/p-1",ZJKLNUHASXGERK-UHFFFAOYSA-M,C17H11F3N3NaO4S,433.3,433.0320058,,137,688,0,2,10,3,29,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-NAPHTHALENAMINE, 4-[(2-BROMO-4,6-DINITROPHENYL)AZO]-N-(3-METHOXYPROPYL)-",070660-55-8,116782,"4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-N-(3-methoxypropyl)naphthalen-1-amine",COCCCNC1=CC=C(C2=CC=CC=C21)N=NC3=C(C=C(C=C3Br)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C20H18BrN5O5/c1-31-10-4-9-22-17-7-8-18(15-6-3-2-5-14(15)17)23-24-20-16(21)11-13(25(27)28)12-19(20)26(29)30/h2-3,5-8,11-12,22H,4,9-10H2,1H3",MMJKUMWJCYGICY-UHFFFAOYSA-N,C20H18BrN5O5,488.3,487.04913,5.5,138,642,0,1,8,7,31,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONAMIDE, 4-HYDROXY-3-[(2-HYDROXY-1-NAPHTHALENYL)AZO]-",016432-45-4,85414,4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide,C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)S(=O)(=O)N)O)O,"InChI=1S/C16H13N3O4S/c17-24(22,23)11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21/h1-9,20-21H,(H2,17,22,23)",VIEKHUZQPKISOF-UHFFFAOYSA-N,C16H13N3O4S,343.4,343.0626771,2.8,134,562,0,3,7,3,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Mercury, chloro(4-((2-hydroxy-1-naphthalenyl)azo)phenyl)-",3076-91-3,18318,chloro-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]mercury,C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)[Hg]Cl)O,"InChI=1S/C16H11N2O.ClH.Hg/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13;;/h2-11,19H;1H;/q;;+1/p-1",CDEIGFNQWMSEKG-UHFFFAOYSA-M,C16H11ClHgN2O,483.31,484.026634,,45,360,0,1,3,2,21,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Benzenesulfonic acid, 4-hydroxy-3-((2-hydroxy-1-naphthalenyl)azo)-5-nitro-, monosodium salt",3179-84-8,135568355,sodium 4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-nitrobenzenesulfonate,C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C(=CC(=C3)S(=O)(=O)[O-])[N+](=O)[O-])O)O.[Na+],"InChI=1S/C16H11N3O7S.Na/c20-14-6-5-9-3-1-2-4-11(9)15(14)18-17-12-7-10(27(24,25)26)8-13(16(12)21)19(22)23;/h1-8,20-21H,(H,24,25,26);/q;+1/p-1",SYDGESGEMNSMFM-UHFFFAOYSA-M,C16H10N3NaO7S,411.3,411.0137151,,177,661,0,2,9,2,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"9,10-ANTHRACENEDICARBONITRILE",001217-45-4,71035,"anthracene-9,10-dicarbonitrile",C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C#N)C#N,InChI=1S/C16H8N2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-8H,BIOPPFDHKHWJIA-UHFFFAOYSA-N,C16H8N2,228.25,228.0687483,4,47.6,345,0,0,2,0,18,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
9-ANTHRACENECARBONITRILE,001210-12-4,14586,anthracene-9-carbonitrile,C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C#N,InChI=1S/C15H9N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,KEQZHLAEKAVZLY-UHFFFAOYSA-N,C15H9N,203.24,203.0734993,4.3,23.8,278,0,0,1,0,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
9-ANTHRALDEHYDE,000642-31-9,69504,anthracene-9-carbaldehyde,C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=O,InChI=1S/C15H10O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H,YMNKUHIVVMFOFO-UHFFFAOYSA-N,C15H10O,206.24,206.0731649,4,17.1,238,0,0,1,1,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
9-ANTHROYLNITRILE,085985-44-0,128796,anthracene-9-carbonyl cyanide,C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)C#N,InChI=1S/C16H9NO/c17-10-15(18)16-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)16/h1-9H,FMKFDGUBVPIERQ-UHFFFAOYSA-N,C16H9NO,231.25,231.0684139,3.9,40.9,358,0,0,2,1,18,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
9-ANTHRACENEMETHANOL,001468-95-7,73848,anthracen-9-ylmethanol,C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CO,"InChI=1S/C15H12O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,16H,10H2",JCJNNHDZTLRSGN-UHFFFAOYSA-N,C15H12O,208.25,208.088815,3.8,20.2,216,0,1,1,1,16,,,0,1,1,1,0,0,1,1,0,0,1,0,0,0,0,0,1,0,0,1
"9,10-DIMETHYLANTHRACENE",000781-43-1,13076,"9,10-dimethylanthracene",CC1=C2C=CC=CC2=C(C3=CC=CC=C13)C,"InChI=1S/C16H14/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16/h3-10H,1-2H3",JTGMTYWYUZDRBK-UHFFFAOYSA-N,C16H14,206.28,206.1095504,5.7,0,194,0,0,0,0,16,,360 °C,0,1,1,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0
9-(CHLOROMETHYL)ANTHRACENE,024463-19-2,32385,9-(chloromethyl)anthracene,C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CCl,"InChI=1S/C15H11Cl/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10H2",PCVRSXXPGXRVEZ-UHFFFAOYSA-N,C15H11Cl,226.7,226.054928,5.1,0,216,0,0,0,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-ANTHRACENEDIOL, DISODIUM SALT",046492-07-3,6452057,"disodium;anthracene-9,10-diolate",C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2[O-])[O-].[Na+].[Na+],"InChI=1S/C14H10O2.2Na/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;;/h1-8,15-16H;;/q;2*+1/p-2",RMEKRPRYWRUTKH-UHFFFAOYSA-L,C14H8Na2O2,254.19,254.0319681,,46.1,203,0,0,2,0,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,3-DIMETHYLANTHRACENE",000613-06-9,69170,"2,3-dimethylanthracene",CC1=CC2=CC3=CC=CC=C3C=C2C=C1C,"InChI=1S/C16H14/c1-11-7-15-9-13-5-3-4-6-14(13)10-16(15)8-12(11)2/h3-10H,1-2H3",OGVRJXPGSVLDRD-UHFFFAOYSA-N,C16H14,206.28,206.1095504,4.9,0,218,0,0,0,0,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-DIBROMOANTHRACENE",000523-27-3,68226,"9,10-dibromoanthracene",C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2Br)Br,InChI=1S/C14H8Br2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H,BRUOAURMAFDGLP-UHFFFAOYSA-N,C14H8Br2,336.02,335.89723,5.8,0,203,0,0,0,0,16,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-DICHLORANTHRACENE",000605-48-1,11800,"9,10-dichloroanthracene",C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2Cl)Cl,InChI=1S/C14H8Cl2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H,FKDIWXZNKAZCBY-UHFFFAOYSA-N,C14H8Cl2,247.1,246.0003056,5.7,0,203,0,0,0,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
9-(METHYLAMINOMETHYL)ANTHRACENE,073356-19-1,188128,1-anthracen-9-yl-N-methylmethanamine,CNCC1=C2C=CC=CC2=CC3=CC=CC=C31,"InChI=1S/C16H15N/c1-17-11-16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-10,17H,11H2,1H3",WRVHTDZJMNUGQN-UHFFFAOYSA-N,C16H15N,221.3,221.1204495,4.1,12,228,0,1,1,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-ANTHRAMINE,000613-13-8,11937,anthracen-2-amine,C1=CC=C2C=C3C=C(C=CC3=CC2=C1)N,"InChI=1S/C14H11N/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,15H2",YCSBALJAGZKWFF-UHFFFAOYSA-N,C14H11N,193.24,193.0891494,3.5,26,225,0,1,1,0,15,,"199 °F at 9 mmHg (sublimes) (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
10-BROMOANTHRACENE-9-BORONIC ACID,641144-16-3,16217487,(10-bromoanthracen-9-yl)boronic acid,B(C1=C2C=CC=CC2=C(C3=CC=CC=C13)Br)(O)O,"InChI=1S/C14H10BBrO2/c16-14-11-7-3-1-5-9(11)13(15(17)18)10-6-2-4-8-12(10)14/h1-8,17-18H",FAVOIVPFJSKYBE-UHFFFAOYSA-N,C14H10BBrO2,300.94,299.99572,,40.5,276,0,2,2,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-BIS(BROMOMETHYL)ANTHRACENE",,609355,"9,10-bis(bromomethyl)anthracene",C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CBr)CBr,"InChI=1S/C16H12Br2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-8H,9-10H2",YHEMDXGFCREMGG-UHFFFAOYSA-N,C16H12Br2,364.07,363.92853,6.1,0,226,0,0,0,2,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1
ANTHRACENE,000120-12-7,8418,anthracene,C1=CC=C2C=C3C=CC=CC3=CC2=C1,InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H,MWPLVEDNUUSJAV-UHFFFAOYSA-N,C14H10,178.23,178.0782503,4.4,0,154,0,0,0,0,14,"250 °F (NTP, 1992)","644 °F at 760 mmHg (corrected); 439.7 °F at 53 mmHg, sublimes (NTP, 1992)",1,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0,0
2-ETHYLANTHRACENE,052251-71-5,40300,2-ethylanthracene,CCC1=CC2=CC3=CC=CC=C3C=C2C=C1,"InChI=1S/C16H14/c1-2-12-7-8-15-10-13-5-3-4-6-14(13)11-16(15)9-12/h3-11H,2H2,1H3",ZXAGXLDEMUNQSH-UHFFFAOYSA-N,C16H14,206.28,206.1095504,5,0,232,0,0,0,1,16,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
2-METHYLANTHRACENE,000613-12-7,11936,2-methylanthracene,CC1=CC2=CC3=CC=CC=C3C=C2C=C1,"InChI=1S/C15H12/c1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11/h2-10H,1H3",GYMFBYTZOGMSQJ-UHFFFAOYSA-N,C15H12,192.25,192.0939004,5.1,0,220,0,0,0,0,15,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,10-Anthracenetriol",577-33-3,11342,"anthracene-1,2,10-triol",C1=CC=C2C(=C1)C=C3C(=C2O)C=CC(=C3O)O,"InChI=1S/C14H10O3/c15-12-6-5-10-11(14(12)17)7-8-3-1-2-4-9(8)13(10)16/h1-7,15-17H",TZIQWQARHPGHIG-UHFFFAOYSA-N,C14H10O3,226.23,226.0629942,3.4,60.7,281,0,3,3,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4,5,8,9,10-Anthracenehexol",23478-60-6,95731,"anthracene-1,4,5,8,9,10-hexol",C1=CC(=C2C(=C1O)C(=C3C(=CC=C(C3=C2O)O)O)O)O,"InChI=1S/C14H10O6/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,15-20H",SEBRSBADPOBOMS-UHFFFAOYSA-N,C14H10O6,274.22,274.047738,3.4,121,298,0,6,6,0,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Malononitrile, (9-anthrylmethylene)-",55490-87-4,41459,2-(anthracen-9-ylmethylidene)propanedinitrile,C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=C(C#N)C#N,InChI=1S/C18H10N2/c19-11-13(12-20)9-18-16-7-3-1-5-14(16)10-15-6-2-4-8-17(15)18/h1-10H,RDMANBWYQHJIFZ-UHFFFAOYSA-N,C18H10N2,254.3,254.0843983,4.8,47.6,446,0,0,2,1,20,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Anthracenecarboxylic acid, 9,10-dihydro-4-hydroxy-5-(6-O-(3-methoxy-1,3-dioxopropyl)-beta-D-glucopyranosyloxy)-9,10-dioxo-",,101325,anthracene-2-carboxylic acid,C1=CC=C2C=C3C=C(C=CC3=CC2=C1)C(=O)O,"InChI=1S/C15H10O2/c16-15(17)13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)9-13/h1-9H,(H,16,17)",RZRJYURCNBXIST-UHFFFAOYSA-N,C15H10O2,222.24,222.0680796,4.5,37.3,299,0,1,2,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
9-METHYLANTHRACENE,000779-02-2,13068,9-methylanthracene,CC1=C2C=CC=CC2=CC3=CC=CC=C13,"InChI=1S/C15H12/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13/h2-10H,1H3",CPGPAVAKSZHMBP-UHFFFAOYSA-N,C15H12,192.25,192.0939004,5.1,0,198,0,0,0,0,15,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-ANTHRACENEDICARBOXALDEHYDE",007044-91-9,81500,"anthracene-9,10-dicarbaldehyde",C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C=O)C=O,InChI=1S/C16H10O2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-10H,SBRUFOSORMQHES-UHFFFAOYSA-N,C16H10O2,234.25,234.0680796,3.3,34.1,269,0,0,2,2,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
9-CHLOROANTHRACENE,000716-53-0,69744,9-chloroanthracene,C1=CC=C2C(=C1)C=C3C=CC=CC3=C2Cl,InChI=1S/C14H9Cl/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,KULLJOPUZUWTMF-UHFFFAOYSA-N,C14H9Cl,212.67,212.039278,5.2,0,203,0,0,0,0,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
9-BROMOANTHRACENE,001564-64-3,74062,9-bromoanthracene,C1=CC=C2C(=C1)C=C3C=CC=CC3=C2Br,InChI=1S/C14H9Br/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,ZIRVQSRSPDUEOJ-UHFFFAOYSA-N,C14H9Br,257.12,255.98876,5.2,0,203,0,0,0,0,15,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"ANTHRACENE-2,3-DICARBOXALDEHYDE",076197-35-8,195906,"anthracene-2,3-dicarbaldehyde",C1=CC=C2C=C3C=C(C(=CC3=CC2=C1)C=O)C=O,InChI=1S/C16H10O2/c17-9-15-7-13-5-11-3-1-2-4-12(11)6-14(13)8-16(15)10-18/h1-10H,HTKKRNQMBYGFMV-UHFFFAOYSA-N,C16H10O2,234.25,234.0680796,3.3,34.1,293,0,0,2,2,18,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CHLOROANTHRACENE,017135-78-3,28308,2-chloroanthracene,C1=CC=C2C=C3C=C(C=CC3=CC2=C1)Cl,InChI=1S/C14H9Cl/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,OWFINXQLBMJDJQ-UHFFFAOYSA-N,C14H9Cl,212.67,212.039278,5.4,0,225,0,0,0,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
9-AMINOANTHRACINE,000779-03-3,13069,anthracen-9-amine,C1=CC=C2C(=C1)C=C3C=CC=CC3=C2N,"InChI=1S/C14H11N/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,15H2",LHNICELDCMPPDE-UHFFFAOYSA-N,C14H11N,193.24,193.0891494,3.9,26,203,0,1,1,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Anthracene, 9-bromomethyl-",2417-77-8,17019,9-(bromomethyl)anthracene,C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CBr,"InChI=1S/C15H11Br/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10H2",KOWKPLCVFRHICH-UHFFFAOYSA-N,C15H11Br,271.15,270.00441,5.3,0,216,0,0,0,1,16,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
4-METHYLCYCLOHEXANONE,000589-92-4,11525,4-methylcyclohexan-1-one,CC1CCC(=O)CC1,"InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3",VGVHNLRUAMRIEW-UHFFFAOYSA-N,C7H12O,112.17,112.088815,1.4,17.1,86,0,0,1,0,8,,169.00 to 171.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
3-METHYLCYCLOHEXANONE,000591-24-2,11567,3-methylcyclohexan-1-one,CC1CCCC(=O)C1,"InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3",UJBOOUHRTQVGRU-UHFFFAOYSA-N,C7H12O,112.17,112.088815,1.4,17.1,96,0,0,1,0,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
(2H10)CYCLOHEXANONE,051209-49-5,12998629,"2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexan-1-one",[2H]C1(C(=O)C(C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[2H],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2/i1D2,2D2,3D2,4D2,5D2",JHIVVAPYMSGYDF-YXALHFAPSA-N,C6H10O,108.2,108.1359324,0.8,17.1,68,0,0,1,0,7,,,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANONE, 2,2,6-TRIMETHYL-",002408-37-9,17000,"2,2,6-trimethylcyclohexan-1-one",CC1CCCC(C1=O)(C)C,"InChI=1S/C9H16O/c1-7-5-4-6-9(2,3)8(7)10/h7H,4-6H2,1-3H3",ZPVOLGVTNLDBFI-UHFFFAOYSA-N,C9H16O,140.22,140.1201151,2.4,17.1,147,0,0,1,0,10,,,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
"CYCLOHEXANONE, 2,4,4-TRIMETHYL-",002230-70-8,102771,"2,4,4-trimethylcyclohexan-1-one",CC1CC(CCC1=O)(C)C,"InChI=1S/C9H16O/c1-7-6-9(2,3)5-4-8(7)10/h7H,4-6H2,1-3H3",JEANOXXXGPLTOI-UHFFFAOYSA-N,C9H16O,140.22,140.1201151,2.2,17.1,147,0,0,1,0,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANONE, 2-METHOXY-",007429-44-9,110998,2-methoxycyclohexan-1-one,COC1CCCCC1=O,"InChI=1S/C7H12O2/c1-9-7-5-3-2-4-6(7)8/h7H,2-5H2,1H3",JYJURPHZXCLFDX-UHFFFAOYSA-N,C7H12O2,128.17,128.0837296,0.7,26.3,109,0,0,2,1,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"4,4-DIMETHYLCYCLOHEXANONE",004255-62-3,138166,"4,4-dimethylcyclohexan-1-one",CC1(CCC(=O)CC1)C,"InChI=1S/C8H14O/c1-8(2)5-3-7(9)4-6-8/h3-6H2,1-2H3",PXQMSTLNSHMSJB-UHFFFAOYSA-N,C8H14O,126.2,126.1044651,1.6,17.1,113,0,0,1,0,9,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0
4-TERT-BUTYLCYCLOHEXANONE,000098-53-3,7392,4-tert-butylcyclohexan-1-one,CC(C)(C)C1CCC(=O)CC1,"InChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3",YKFKEYKJGVSEIX-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,2.6,17.1,143,0,0,1,1,11,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-(2-PROPENYL)CYCLOHEXANONE,000094-66-6,78944,2-prop-2-enylcyclohexan-1-one,C=CCC1CCCCC1=O,"InChI=1S/C9H14O/c1-2-5-8-6-3-4-7-9(8)10/h2,8H,1,3-7H2",UPGHEUSRLZSXAE-UHFFFAOYSA-N,C9H14O,138.21,138.1044651,2.1,17.1,138,0,0,1,2,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-NITROCYCLOHEXANONE,004883-67-4,521241,2-nitrocyclohexan-1-one,C1CCC(=O)C(C1)[N+](=O)[O-],"InChI=1S/C6H9NO3/c8-6-4-2-1-3-5(6)7(9)10/h5H,1-4H2",SZNILIWUUKKNPE-UHFFFAOYSA-N,C6H9NO3,143.14,143.0582431,0.9,62.9,161,0,0,3,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANONE, 2-METHYL-5-(1-METHYLETHENYL)-, (2R-TRANS)-",005524-05-0,22227,"trans-(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one",C[C@@H]1CC[C@H](CC1=O)C(=C)C,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1",AZOCECCLWFDTAP-RKDXNWHRSA-N,C10H16O,152.23,152.1201151,2.7,17.1,181,0,0,1,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANECARBONITRILE, 1,3,3-TRIMETHYL-5-OXO-",007027-11-4,99068,"1,3,3-trimethyl-5-oxocyclohexane-1-carbonitrile",CC1(CC(=O)CC(C1)(C)C#N)C,"InChI=1S/C10H15NO/c1-9(2)4-8(12)5-10(3,6-9)7-11/h4-6H2,1-3H3",JJDFVIDVSCYKDS-UHFFFAOYSA-N,C10H15NO,165.23,165.1153641,1.3,40.9,258,0,0,2,0,12,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
"CYCLOHEXANECARBOXYLIC ACID, 2-OXO-, ETHYL ESTER",001655-07-8,95543,ethyl 2-oxocyclohexane-1-carboxylate,CCOC(=O)C1CCCCC1=O,"InChI=1S/C9H14O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7H,2-6H2,1H3",FGSGHBPKHFDJOP-UHFFFAOYSA-N,C9H14O3,170.21,170.0942943,1.4,43.4,186,0,0,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANONE, 2,4-BIS(1,1-DIMETHYLETHYL)-",013019-04-0,114442,"2,4-ditert-butylcyclohexan-1-one",CC(C)(C)C1CCC(=O)C(C1)C(C)(C)C,"InChI=1S/C14H26O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h10-11H,7-9H2,1-6H3",NYOHMJCUHOBGBN-UHFFFAOYSA-N,C14H26O,210.36,210.1983654,4.1,17.1,239,0,0,1,2,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANONE, 4-(1,1-DIMETHYLPROPYL)-",016587-71-6,27941,4-(2-methylbutan-2-yl)cyclohexan-1-one,CCC(C)(C)C1CCC(=O)CC1,"InChI=1S/C11H20O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h9H,4-8H2,1-3H3",DCSKAMGZSIRJAQ-UHFFFAOYSA-N,C11H20O,168.28,168.1514153,2.9,17.1,160,0,0,1,2,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANONE, 4-(1-ETHOXYETHENYL)-3,3,5,5-TETRAMETHYL-",036306-87-3,118292,"4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one",CCOC(=C)C1C(CC(=O)CC1(C)C)(C)C,"InChI=1S/C14H24O2/c1-7-16-10(2)12-13(3,4)8-11(15)9-14(12,5)6/h12H,2,7-9H2,1,3-6H3",YLNYLLVKHRZLGO-UHFFFAOYSA-N,C14H24O2,224.34,224.17763,3.1,26.3,280,0,0,2,3,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANONE, 5-METHYL-2-(1-METHYLETHYL)-, CIS-",000491-07-6,6986,5-methyl-2-propan-2-ylcyclohexan-1-one,CC1CCC(C(=O)C1)C(C)C,"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3",NFLGAXVYCFJBMK-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,2.7,17.1,149,0,0,1,1,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"CYCLOHEXANONE, 2-(1-MERCAPTO-1-METHYLETHYL)-5-METHYL-",038462-22-5,61982,5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one,CC1CCC(C(=O)C1)C(C)(C)S,"InChI=1S/C10H18OS/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-8,12H,4-6H2,1-3H3",RVOKNSFEAOYULQ-UHFFFAOYSA-N,C10H18OS,186.32,186.1078364,2.3,18.1,186,0,1,2,1,12,,56.00 to 62.00 °C. @ 0.10 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"CYCLOHEXANONE, 3,3,5-TRIMETHYL-",000873-94-9,13398,"3,3,5-trimethylcyclohexan-1-one",CC1CC(=O)CC(C1)(C)C,"InChI=1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3",POSWICCRDBKBMH-UHFFFAOYSA-N,C9H16O,140.22,140.1201151,2.2,17.1,147,0,0,1,0,10,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"p-Menth-8-en-3-one, trans-",29606-79-9,10534862,"trans-(2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-one",C[C@@H]1CC[C@H](C(=O)C1)C(=C)C,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1",RMIANEGNSBUGDJ-BDAKNGLRSA-N,C10H16O,152.23,152.1201151,2.8,17.1,181,0,0,1,1,11,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"CYCLOHEXANONE, 4-(1-METHYLETHYL)-",005432-85-9,79488,4-propan-2-ylcyclohexan-1-one,CC(C)C1CCC(=O)CC1,"InChI=1S/C9H16O/c1-7(2)8-3-5-9(10)6-4-8/h7-8H,3-6H2,1-2H3",FPKISACHVIIMRA-UHFFFAOYSA-N,C9H16O,140.22,140.1201151,2.2,17.1,117,0,0,1,1,10,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
(-)-MENTHONE,014073-97-3,26447,"trans-(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one",C[C@@H]1CC[C@H](C(=O)C1)C(C)C,"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1",NFLGAXVYCFJBMK-BDAKNGLRSA-N,C10H18O,154.25,154.1357652,2.7,17.1,149,0,0,1,1,11,,210 °C,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,1,1,0,0
"CYCLOHEXANONE, 2-PROPYL-",000094-65-5,7199,2-propylcyclohexan-1-one,CCCC1CCCCC1=O,"InChI=1S/C9H16O/c1-2-5-8-6-3-4-7-9(8)10/h8H,2-7H2,1H3",OCJLPZCBZSCVCO-UHFFFAOYSA-N,C9H16O,140.22,140.1201151,2.4,17.1,118,0,0,1,2,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANONE, 2-METHYL-5-(1-METHYLETHYL)-",059471-80-6,10362,2-methyl-5-propan-2-ylcyclohexan-1-one,CC1CCC(CC1=O)C(C)C,"InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h7-9H,4-6H2,1-3H3",GCRTVIUGJCJVDD-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,2.7,17.1,149,0,0,1,1,11,,108.00 to 109.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANONE, 2-CHLORO-",000822-87-7,13203,2-chlorocyclohexan-1-one,C1CCC(=O)C(C1)Cl,"InChI=1S/C6H9ClO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2",CCHNWURRBFGQCD-UHFFFAOYSA-N,C6H9ClO,132.59,132.0341926,1.5,17.1,101,0,0,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"ETHANETHIOIC ACID, S-[1-METHYL-1-(4-METHYL-2-OXOCYCLOHEXYL)ETHYL] ESTER, (1R-T",057074-34-7,15775309,"S-[2-[(1R,4R)-4-methyl-2-oxocyclohexyl]propan-2-yl] ethanethioate",C[C@@H]1CC[C@H](C(=O)C1)C(C)(C)SC(=O)C,"InChI=1S/C12H20O2S/c1-8-5-6-10(11(14)7-8)12(3,4)15-9(2)13/h8,10H,5-7H2,1-4H3/t8-,10-/m1/s1",AMXPURQVAMENCC-PSASIEDQSA-N,C12H20O2S,228.35,228.1184011,2.5,59.4,271,0,0,3,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-VINYL-2-PYRROLIDINONE,000088-12-0,6917,1-ethenylpyrrolidin-2-one,C=CN1CCCC1=O,"InChI=1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2",WHNWPMSKXPGLAX-UHFFFAOYSA-N,C6H9NO,111.14,111.0684139,0.4,20.3,120,0,0,1,1,8,95 °C,96 °C @ 14 mm Hg; 193 °C @ 400 mm Hg,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,1,1
3-(2-AMINOETHYL)PYRROLIDIN-2-ONE HYDROCHLORIDE,1987266-33-0,121604184,3-(2-aminoethyl)pyrrolidin-2-one;hydrochloride,C1CNC(=O)C1CCN.Cl,"InChI=1S/C6H12N2O.ClH/c7-3-1-5-2-4-8-6(5)9;/h5H,1-4,7H2,(H,8,9);1H",DCWRAXPZTWGPAJ-UHFFFAOYSA-N,C6H13ClN2O,164.63,164.0716407,,55.1,114,0,3,2,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(N-OCTYL)-2-PYRROLIDINONE,002687-94-7,3033871,1-octylpyrrolidin-2-one,CCCCCCCCN1CCCC1=O,"InChI=1S/C12H23NO/c1-2-3-4-5-6-7-10-13-11-8-9-12(13)14/h2-11H2,1H3",WPPOGHDFAVQKLN-UHFFFAOYSA-N,C12H23NO,197.32,197.1779644,3.2,20.3,168,0,0,1,7,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-PYRROLIDINONE, 1-(CHLOROMETHYL)-",031282-95-8,2770497,1-(chloromethyl)pyrrolidin-2-one,C1CC(=O)N(C1)CCl,InChI=1S/C5H8ClNO/c6-4-7-3-1-2-5(7)8/h1-4H2,KEBMRNXDMRFGNV-UHFFFAOYSA-N,C5H8ClNO,133.57,133.0294416,0.5,20.3,105,0,0,1,1,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"L-PROLINE, 5-OXO-",000098-79-3,7405,(2S)-5-oxopyrrolidine-2-carboxylic acid,C1CC(=O)N[C@@H]1C(=O)O,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1",ODHCTXKNWHHXJC-VKHMYHEASA-N,C5H7NO3,129.11,129.0425931,-0.8,66.4,154,0,2,3,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-METHYL-2-PYRROLIDINONE-D9,185964-60-7,16217555,"3,3,4,4,5,5-hexadeuterio-1-(trideuteriomethyl)pyrrolidin-2-one",[2H]C1(C(=O)N(C(C1([2H])[2H])([2H])[2H])C([2H])([2H])[2H])[2H],"InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3/i1D3,2D2,3D2,4D2",SECXISVLQFMRJM-YNSOAAEFSA-N,C5H9NO,108.19,108.1249046,-0.5,20.3,90,0,0,1,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
DIMETHYL-2-PYRROLIDINONE,060544-40-3,209257,"1,3-dimethylpyrrolidin-2-one",CC1CCN(C1=O)C,"InChI=1S/C6H11NO/c1-5-3-4-7(2)6(5)8/h5H,3-4H2,1-2H3",BCNBMSZKALBQEF-UHFFFAOYSA-N,C6H11NO,113.16,113.084064,0.4,20.3,111,0,0,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
(S)-METHYL 2-((TERT-BUTOXYCARBONYL)AMINO)-3-((S)-2-OXOPYRROLIDIN-3-YL)PROPANOATE,328086-60-8,11380628,methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate,CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)OC,"InChI=1S/C13H22N2O5/c1-13(2,3)20-12(18)15-9(11(17)19-4)7-8-5-6-14-10(8)16/h8-9H,5-7H2,1-4H3,(H,14,16)(H,15,18)/t8-,9-/m0/s1",HTQMBOWAEPNWLI-IUCAKERBSA-N,C13H22N2O5,286.32,286.1528718,0.7,93.7,389,0,2,5,7,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PYRROLIDINONE, 1-(1-METHYLETHYL)-",003772-26-7,77392,1-propan-2-ylpyrrolidin-2-one,CC(C)N1CCCC1=O,"InChI=1S/C7H13NO/c1-6(2)8-5-3-4-7(8)9/h6H,3-5H2,1-2H3",GHELJWBGTIKZQW-UHFFFAOYSA-N,C7H13NO,127.18,127.099714,0.6,20.3,120,0,0,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-PYRROLIDINEDICARBOXYLIC ACID, 5-OXO-, 1-(1,1-DIMETHYLETHYL) ESTER, (S)-",053100-44-0,104412,(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid,CC(C)(C)OC(=O)N1[C@@H](CCC1=O)C(=O)O,"InChI=1S/C10H15NO5/c1-10(2,3)16-9(15)11-6(8(13)14)4-5-7(11)12/h6H,4-5H2,1-3H3,(H,13,14)/t6-/m0/s1",MJLQPFJGZTYCMH-LURJTMIESA-N,C10H15NO5,229.23,229.0950226,0.6,83.9,331,0,1,5,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Pyrrolidineacetamide, 4-hydroxy-2-oxo-",062613-82-5,4626,2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide,C1C(CN(C1=O)CC(=O)N)O,"InChI=1S/C6H10N2O3/c7-5(10)3-8-2-4(9)1-6(8)11/h4,9H,1-3H2,(H2,7,10)",IHLAQQPQKRMGSS-UHFFFAOYSA-N,C6H10N2O3,158.16,158.0691422,-2.2,83.6,192,0,2,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-METHYL-2-PYRROLIDONE,000872-50-4,13387,1-methylpyrrolidin-2-one,CN1CCCC1=O,"InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3",SECXISVLQFMRJM-UHFFFAOYSA-N,C5H9NO,99.13,99.06841391,-0.5,20.3,90,0,0,1,0,7,"204 °F (NTP, 1992)","396 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
2-PYRROLIDINONE,000616-45-5,12025,pyrrolidin-2-one,C1CC(=O)NC1,"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)",HNJBEVLQSNELDL-UHFFFAOYSA-N,C4H7NO,85.1,85.05276385,-0.8,29.1,69,0,1,1,0,6,265 °F (129 °C) (open cup),245 °C @ 760 mm Hg; 113-114 @ 9.2 mm Hg; 76 °C @ 0.2 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
1-ETHYL-2-PYRROLIDINONE,002687-91-4,17595,1-ethylpyrrolidin-2-one,CCN1CCCC1=O,"InChI=1S/C6H11NO/c1-2-7-5-3-4-6(7)8/h2-5H2,1H3",ZFPGARUNNKGOBB-UHFFFAOYSA-N,C6H11NO,113.16,113.084064,-0.1,20.3,101,0,0,1,1,8,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2-Pyrrolidinone, 1-(3-aminopropyl)-",7663-77-6,82111,1-(3-aminopropyl)pyrrolidin-2-one,C1CC(=O)N(C1)CCCN,"InChI=1S/C7H14N2O/c8-4-2-6-9-5-1-3-7(9)10/h1-6,8H2",HJORCZCMNWLHMB-UHFFFAOYSA-N,C7H14N2O,142.2,142.1106131,-0.8,46.3,125,0,1,2,3,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1-Pyrrolidineacetamide, alpha-ethyl-2-oxo-, (+-)-",33996-58-6,59708,2-(2-oxopyrrolidin-1-yl)butanamide,CCC(C(=O)N)N1CCCC1=O,"InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)",HPHUVLMMVZITSG-UHFFFAOYSA-N,C8H14N2O2,170.21,170.1055277,-0.3,63.4,203,0,1,2,3,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-Pyrrolidinecarboxylic acid, 1-methyl-5-oxo-",42346-68-9,122766,1-methyl-5-oxopyrrolidine-3-carboxylic acid,CN1CC(CC1=O)C(=O)O,"InChI=1S/C6H9NO3/c1-7-3-4(6(9)10)2-5(7)8/h4H,2-3H2,1H3,(H,9,10)",YHDZDIPQCVCIJS-UHFFFAOYSA-N,C6H9NO3,143.14,143.0582431,-1,57.6,178,0,1,3,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Butyn-1-aminium, N,N,N-trimethyl-4-(2-oxo-1-pyrrolidinyl)-",63939-65-1,4629,trimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]azanium,C[N+](C)(C)CC#CCN1CCCC1=O,"InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1",CANZROMYQDHYHR-UHFFFAOYSA-N,C11H19N2O+,195.28,195.1497382,-0.1,20.3,277,1,0,1,2,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Pyrrolidineacetamide, N-(2-amino-2-oxoethyl)-2-oxo-",64026-55-7,3048833,2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetamide,C1CC(=O)N(C1)CC(=O)NCC(=O)N,"InChI=1S/C8H13N3O3/c9-6(12)4-10-7(13)5-11-3-1-2-8(11)14/h1-5H2,(H2,9,12)(H,10,13)",JSSCSGNIZYVNES-UHFFFAOYSA-N,C8H13N3O3,199.21,199.0956913,-1.9,92.5,265,0,2,3,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Pyrrolidineacetamide, 4-hydroxy-2-oxo-, (R)-",68252-28-8,3051965,2-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]acetamide,C1[C@H](CN(C1=O)CC(=O)N)O,"InChI=1S/C6H10N2O3/c7-5(10)3-8-2-4(9)1-6(8)11/h4,9H,1-3H2,(H2,7,10)/t4-/m1/s1",IHLAQQPQKRMGSS-SCSAIBSYSA-N,C6H10N2O3,158.16,158.0691422,-2.2,83.6,192,0,2,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Pyrrolidineacetamide, alpha-ethyl-2-oxo-, (S)-",102767-28-2,5284583,(2S)-2-(2-oxopyrrolidin-1-yl)butanamide,CC[C@@H](C(=O)N)N1CCCC1=O,"InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1",HPHUVLMMVZITSG-LURJTMIESA-N,C8H14N2O2,170.21,170.1055277,-0.3,63.4,203,0,1,2,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-Pyrrolidineacetamide, alpha-ethyl-2-oxo-, (R)-",103765-01-1,441341,(2R)-2-(2-oxopyrrolidin-1-yl)butanamide,CC[C@H](C(=O)N)N1CCCC1=O,"InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m1/s1",HPHUVLMMVZITSG-ZCFIWIBFSA-N,C8H14N2O2,170.21,170.1055277,-0.3,63.4,203,0,1,2,3,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
(S)-3-HYDROXYPYRROLIDIN-2-ONE,034368-52-0,11029774,(3S)-3-hydroxypyrrolidin-2-one,C1CNC(=O)[C@H]1O,"InChI=1S/C4H7NO2/c6-3-1-2-5-4(3)7/h3,6H,1-2H2,(H,5,7)/t3-/m0/s1",FRKGSNOMLIYPSH-VKHMYHEASA-N,C4H7NO2,101.1,101.0476785,-0.9,49.3,91,0,2,2,0,7,,,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
1-BUTYLPYRROLIDIN-2-ONE,003470-98-2,18984,1-butylpyrrolidin-2-one,CCCCN1CCCC1=O,"InChI=1S/C8H15NO/c1-2-3-6-9-7-4-5-8(9)10/h2-7H2,1H3",BNXZHVUCNYMNOS-UHFFFAOYSA-N,C8H15NO,141.21,141.1153641,1,20.3,122,0,0,1,3,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-DODECYL-2-PYRROLIDINONE,002687-96-9,62459,1-dodecylpyrrolidin-2-one,CCCCCCCCCCCCN1CCCC1=O,"InChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(17)18/h2-15H2,1H3",NJPQAIBZIHNJDO-UHFFFAOYSA-N,C16H31NO,253.42,253.2405646,5.4,20.3,215,0,0,1,11,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
1-(2-HYDROXYETHYL)-2-PYRROLIDINONE,003445-11-2,76980,1-(2-hydroxyethyl)pyrrolidin-2-one,C1CC(=O)N(C1)CCO,"InChI=1S/C6H11NO2/c8-5-4-7-3-1-2-6(7)9/h8H,1-5H2",WDQFELCEOPFLCZ-UHFFFAOYSA-N,C6H11NO2,129.16,129.0789786,-0.8,40.5,114,0,1,2,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PYRROLIDINONE, 1-(HYDROXYMETHYL)-",015438-71-8,84911,1-(hydroxymethyl)pyrrolidin-2-one,C1CC(=O)N(C1)CO,"InChI=1S/C5H9NO2/c7-4-6-3-1-2-5(6)8/h7H,1-4H2",PJEXUIKBGBSHBS-UHFFFAOYSA-N,C5H9NO2,115.13,115.0633285,-0.2,40.5,103,0,1,2,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"5,6,7,8-TETRAHYDRO-1-NAPHTHOL",000529-35-1,68258,"5,6,7,8-tetrahydronaphthalen-1-ol",C1CCC2=C(C1)C=CC=C2O,"InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,11H,1-2,4,6H2",SCWNNOCLLOHZIG-UHFFFAOYSA-N,C10H12O,148.2,148.088815,2.9,20.2,133,0,1,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,3,4-TETRAHYDRO-2-NAPHTHOL",000530-91-6,10747,"1,2,3,4-tetrahydronaphthalen-2-ol",C1CC2=CC=CC=C2CC1O,"InChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10-11H,5-7H2",JWQYZECMEPOAPF-UHFFFAOYSA-N,C10H12O,148.2,148.088815,2.3,20.2,133,0,1,1,0,11,,140 °C @ 12 MM HG,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-AMINO-5,6,7,8-TETRAHYDRONAPHTHALENE-2-CARBOXYLIC ACID",104877-13-6,13739730,"3-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid",C1CCC2=CC(=C(C=C2C1)C(=O)O)N,"InChI=1S/C11H13NO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h5-6H,1-4,12H2,(H,13,14)",BVWFLRKXHQUAKM-UHFFFAOYSA-N,C11H13NO2,191.23,191.0946287,2.7,63.3,229,0,2,3,1,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)-",000774-55-0,69885,"1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone",CC(=O)C1=CC2=C(CCCC2)C=C1,"InChI=1S/C12H14O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h6-8H,2-5H2,1H3",VEPUKHYQNXSSKV-UHFFFAOYSA-N,C12H14O,174.24,174.1044651,3,17.1,197,0,0,1,1,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANONE, 1-(5,6,7,8-TETRAHYDRO-3,5,5,6,8,8-HEXAMETHYL-2-NAPHTHALENYL)-",001506-02-1,89440,"1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone",CC1CC(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)(C)C,"InChI=1S/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3",DNRJTBAOUJJKDY-UHFFFAOYSA-N,C18H26O,258.4,258.1983654,5.3,17.1,366,0,0,1,1,19,,The boiling temperature at atmospheric pressure is 326 +/- 4 °C.,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Naphthylamine, 1,2,3,4-tetrahydro-",002954-50-9,34677,"1,2,3,4-tetrahydronaphthalen-2-amine",C1CC2=CC=CC=C2CC1N,"InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2",LCGFVWKNXLRFIF-UHFFFAOYSA-N,C10H13N,147.22,147.1047994,2.1,26,133,0,1,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NAPHTHALENE, 1,2,3,4-TETRAHYDRO-1,1,4,4-TETRAMETHYL-",006683-46-1,81186,"1,1,4,4-tetramethyl-2,3-dihydronaphthalene",CC1(CCC(C2=CC=CC=C21)(C)C)C,"InChI=1S/C14H20/c1-13(2)9-10-14(3,4)12-8-6-5-7-11(12)13/h5-8H,9-10H2,1-4H3",CCQKWSZYTOCEIB-UHFFFAOYSA-N,C14H20,188.31,188.1565006,5,0,188,0,0,0,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENECARBONITRILE, 3-ETHYL-5,6,7,8-TETRAHYDRO-5,5,8,8-TETRAMETHYL-",058243-87-1,94000,"3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonitrile",CCC1=CC2=C(C=C1C#N)C(CCC2(C)C)(C)C,"InChI=1S/C17H23N/c1-6-12-9-14-15(10-13(12)11-18)17(4,5)8-7-16(14,2)3/h9-10H,6-8H2,1-5H3",LELXPNKVSBCRLR-UHFFFAOYSA-N,C17H23N,241.37,241.1830497,5.6,23.8,357,0,0,1,1,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-NAPHTHALENECARBONITRILE, 1,2,3,4-TETRAHYDRO-4,4-DIMETHYL-",078103-84-1,174109,"4,4-dimethyl-2,3-dihydro-1H-naphthalene-1-carbonitrile",CC1(CCC(C2=CC=CC=C21)C#N)C,"InChI=1S/C13H15N/c1-13(2)8-7-10(9-14)11-5-3-4-6-12(11)13/h3-6,10H,7-8H2,1-2H3",KVCDGRBBCSUPPR-UHFFFAOYSA-N,C13H15N,185.26,185.1204495,3.4,23.8,258,0,0,1,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5,6,7,8-TETRAHYDRO-2-NAPHTHOL",001125-78-6,14305,"5,6,7,8-tetrahydronaphthalen-2-ol",C1CCC2=C(C1)C=CC(=C2)O,"InChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11H,1-4H2",UMKXSOXZAXIOPJ-UHFFFAOYSA-N,C10H12O,148.2,148.088815,2.9,20.2,133,0,1,1,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(+/-)-8-HYDROXY-2-(DI-N-PROPYLAMINO)TETRALIN HYDROBROMIDE,087394-87-4,6917794,"7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide",CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O.Br,"InChI=1S/C16H25NO.BrH/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14;/h5-7,14,18H,3-4,8-12H2,1-2H3;1H",BATPBOZTBNNDLN-UHFFFAOYSA-N,C16H26BrNO,328.29,327.11978,,23.5,237,0,2,2,5,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,3,4-TETRAHYDRONAPHTHALENE-D12",075840-23-2,53360,"1,1,2,2,3,3,4,4,5,6,7,8-dodecadeuterionaphthalene",[2H]C1=C(C(=C2C(=C1[2H])C(C(C(C2([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[2H])[2H],"InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2/i1D,2D,3D2,4D2,5D,6D,7D2,8D2",CXWXQJXEFPUFDZ-DTOGOBKCSA-N,C10H12,144.28,144.1692213,3.5,0,92,0,0,0,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-NAPHTHALENECARBOXALDEHYDE, 3-ETHYL-5,6,7,8-TETRAHYDRO-5,5,8,8-TETRAMETHYL-",058243-85-9,42674,"3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbaldehyde",CCC1=CC2=C(C=C1C=O)C(CCC2(C)C)(C)C,"InChI=1S/C17H24O/c1-6-12-9-14-15(10-13(12)11-18)17(4,5)8-7-16(14,2)3/h9-11H,6-8H2,1-5H3",QCWQUWUCARNNRI-UHFFFAOYSA-N,C17H24O,244.37,244.1827154,5.3,17.1,316,0,0,1,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAHYDRONAPHTHALENE,000119-64-2,8404,"1,2,3,4-tetrahydronaphthalene",C1CCC2=CC=CC=C2C1,"InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",CXWXQJXEFPUFDZ-UHFFFAOYSA-N,C10H12,132.2,132.0939004,3.5,0,92,0,0,0,0,10,"176 °F (USCG, 1999)","406 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-Naphthylamine, 1,2,3,4-tetrahydro-6-methoxy-, hydrochloride",4003-88-7,12843125,"6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride",COC1=CC2=C(CC(CC2)N)C=C1.Cl,"InChI=1S/C11H15NO.ClH/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11;/h3,5,7,10H,2,4,6,12H2,1H3;1H",VANKCRQVOCWUPP-UHFFFAOYSA-N,C11H16ClNO,213.7,213.0920418,,35.3,171,0,2,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Naphthamide, 5,6,7,8-tetrahydro-",13407-63-1,25958,"5,6,7,8-tetrahydronaphthalene-2-carboxamide",C1CCC2=C(C1)C=CC(=C2)C(=O)N,"InChI=1S/C11H13NO/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H2,12,13)",QMYMOARPAJVXDF-UHFFFAOYSA-N,C11H13NO,175.23,175.099714,2.2,43.1,202,0,1,1,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Naphthalenol, 7-(dipropylamino)-5,6,7,8-tetrahydro-, hydrobromide, (7R)-",78095-19-9,11957570,"(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide",CCCN(CCC)[C@@H]1CCC2=C(C1)C(=CC=C2)O.Br,"InChI=1S/C16H25NO.BrH/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14;/h5-7,14,18H,3-4,8-12H2,1-2H3;1H/t14-;/m1./s1",BATPBOZTBNNDLN-PFEQFJNWSA-N,C16H26BrNO,328.29,327.11978,,23.5,237,0,2,2,5,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Naphthoic acid, 1,2,3,4-tetrahydro-2-amino-",,235533,"2-amino-3,4-dihydro-1H-naphthalene-2-carboxylic acid",C1CC(CC2=CC=CC=C21)(C(=O)O)N,"InChI=1S/C11H13NO2/c12-11(10(13)14)6-5-8-3-1-2-4-9(8)7-11/h1-4H,5-7,12H2,(H,13,14)",CDULPPOISZOUTK-UHFFFAOYSA-N,C11H13NO2,191.23,191.0946287,-1.2,63.3,241,0,2,3,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(3-ETHYL-5,6,7,8-TETRAHYDRO-5,5,8,8-TETRAMETHYL-2-NAPHTHALENYL)-",000088-29-9,6930,"1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone",CCC1=CC2=C(C=C1C(=O)C)C(CCC2(C)C)(C)C,"InChI=1S/C18H26O/c1-7-13-10-15-16(11-14(13)12(2)19)18(5,6)9-8-17(15,3)4/h10-11H,7-9H2,1-6H3",KSEZPRJUTHMFGZ-UHFFFAOYSA-N,C18H26O,258.4,258.1983654,5.5,17.1,353,0,0,1,2,19,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"1,2,3,4-TETRAHYDRO-1-NAPHTHOL",000529-33-9,10723,"1,2,3,4-tetrahydronaphthalen-1-ol",C1CC(C2=CC=CC=C2C1)O,"InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7H2",JAAJQSRLGAYGKZ-UHFFFAOYSA-N,C10H12O,148.2,148.088815,1.8,20.2,133,0,1,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Hydroperoxide, 1,2,3,4-tetrahydro-1-naphthyl-",771-29-9,69866,"1-hydroperoxy-1,2,3,4-tetrahydronaphthalene",C1CC(C2=CC=CC=C2C1)OO,"InChI=1S/C10H12O2/c11-12-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7H2",YWBMNCRJFZGXJY-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,1.9,29.5,147,0,1,2,1,12,,,1,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1,1,0,0,0
"1-Naphthylamine, 5,6,7,8-tetrahydro-",2217-41-6,16671,"5,6,7,8-tetrahydronaphthalen-1-amine",C1CCC2=C(C1)C=CC=C2N,"InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6,11H2",SODWJACROGQSMM-UHFFFAOYSA-N,C10H13N,147.22,147.1047994,2.6,26,133,0,1,1,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Naphthylamine, 1,2,3,4-tetrahydro-5-methoxy-, hydrochloride",41566-70-5,70349932,"5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride",COC1=CC=CC2=C1CCCC2N.Cl,"InChI=1S/C11H15NO.ClH/c1-13-11-7-3-4-8-9(11)5-2-6-10(8)12;/h3-4,7,10H,2,5-6,12H2,1H3;1H",AOQKUZAUTAMGNO-UHFFFAOYSA-N,C11H16ClNO,213.7,213.0920418,,35.3,171,0,2,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Naphthaleneacetonitrile, 4-cyano-1,2,3,4-tetrahydro-alpha-methyl-",57964-39-3,154379,"4-(1-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile",CC(C#N)C1CCC(C2=CC=CC=C12)C#N,"InChI=1S/C14H14N2/c1-10(8-15)12-7-6-11(9-16)13-4-2-3-5-14(12)13/h2-5,10-12H,6-7H2,1H3",FDTQTOKRWQJRAC-UHFFFAOYSA-N,C14H14N2,210.27,210.1156985,2.6,47.6,342,0,0,2,1,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Naphthalenol, 5,6,7,8-tetrahydro-7-dipropylamino-",74938-11-7,11957566,"7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide",CCCN(CCC)C1CCC2=C(C1)C=C(C=C2)O.Br,"InChI=1S/C16H25NO.BrH/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15;/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3;1H",ODNDMTWHRYECKX-UHFFFAOYSA-N,C16H26BrNO,328.29,327.11978,,23.5,237,0,2,2,5,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
EXO-2-BROMORBORNANE,002534-77-2,6560260,"(1S,2S,4R)-2-bromobicyclo[2.2.1]heptane",C1C[C@H]2C[C@@H]1C[C@@H]2Br,"InChI=1S/C7H11Br/c8-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2/t5-,6+,7+/m1/s1",QXYOAWHKJRWNID-VQVTYTSYSA-N,C7H11Br,175.07,174.00441,2.7,0,101,0,0,0,0,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
(+)-BORNEOL,000464-43-7,6552009,"(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol",C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2O,"InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m1/s1",DTGKSKDOIYIVQL-WEDXCCLWSA-N,C10H18O,154.25,154.1357652,2.7,20.2,185,0,1,1,0,11,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"BICYCLO[2.2.1]HEPTAN-2-OL, 1,7,7-TRIMETHYL-, ENDO-",000507-70-0,64685,"1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol",CC1(C2CCC1(C(C2)O)C)C,"InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3",DTGKSKDOIYIVQL-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,2.7,20.2,185,0,1,1,0,11,150 °F (60 °C) /closed cup/,212 °C,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
BICYCLO[2.2.1]HEPTANEDIMETHANAMINE,056602-77-8,92464,[3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine,C1CC2CC1C(C2CN)CN,"InChI=1S/C9H18N2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h6-9H,1-5,10-11H2",RPYFJVIASOJLJS-UHFFFAOYSA-N,C9H18N2,154.25,154.1469986,0.5,52,130,0,2,2,2,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
BICYCLO[2.2.1]HEPTANE-2-METHANOL,005240-72-2,21308,2-bicyclo[2.2.1]heptanylmethanol,C1CC2CC1CC2CO,"InChI=1S/C8H14O/c9-5-8-4-6-1-2-7(8)3-6/h6-9H,1-5H2",LWHKUVOYICRGGR-UHFFFAOYSA-N,C8H14O,126.2,126.1044651,1.8,20.2,111,0,1,1,1,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, THIOCYANATO-, 1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPT-2-YL ESTER, EXO-",000115-31-1,13218779,"[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-thiocyanatoacetate",C[C@@]12CC[C@@H](C1(C)C)C[C@H]2OC(=O)CSC#N,"InChI=1S/C13H19NO2S/c1-12(2)9-4-5-13(12,3)10(6-9)16-11(15)7-17-8-14/h9-10H,4-7H2,1-3H3/t9-,10-,13+/m1/s1",IXEVGHXRXDBAOB-BREBYQMCSA-N,C13H19NO2S,253.36,253.11365,4,75.4,384,0,0,4,4,17,82 °C ; 180 °F /TECHNICAL PRODUCT/,95 °C @ 0.06 mm Hg,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BICYCLO[2.2.1]HEPTANE-2-CARBONITRILE, 1,3-DIMETHYL-",104516-97-4,121494105,"(1R,4S)-1,3-dimethylbicyclo[2.2.1]heptane-2-carbonitrile",CC1[C@H]2CC[C@](C2)(C1C#N)C,"InChI=1S/C10H15N/c1-7-8-3-4-10(2,5-8)9(7)6-11/h7-9H,3-5H2,1-2H3/t7?,8-,9?,10+/m0/s1",BDYGNAKOXIGYCJ-RVXWLBMTSA-N,C10H15N,149.23,149.1204495,2.8,23.8,224,0,0,1,0,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
ISOBORNYL METHACRYLATE,007534-94-3,904857,"[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate",CC(=C)C(=O)O[C@@H]1C[C@H]2CC[C@@]1(C2(C)C)C,"InChI=1S/C14H22O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h10-11H,1,6-8H2,2-5H3/t10-,11-,14+/m1/s1",IAXXETNIOYFMLW-GYSYKLTISA-N,C14H22O2,222.32,222.1619799,4.3,26.3,343,0,0,2,3,16,,112-117 °C at 0.33 kPa,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BICYCLO[2.2.1]HEPTAN-2-OL, 1,7,7-TRIMETHYL-, PROPANOATE, EXO-",002756-56-1,23617864,"[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] propanoate",CCC(=O)O[C@@H]1C[C@H]2CC[C@@]1(C2(C)C)C,"InChI=1S/C13H22O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h9-10H,5-8H2,1-4H3/t9-,10-,13+/m1/s1",FAFMZORPAAGQFV-BREBYQMCSA-N,C13H22O2,210.31,210.1619799,3.8,26.3,282,0,0,2,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BICYCLO[2.2.1]HEPTAN-2-OL, 1,3,3-TRIMETHYL-, ACETATE",013851-11-1,107217,"(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate",CC(=O)OC1C(C2CCC1(C2)C)(C)C,"InChI=1S/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3",JUWUWIGZUVEFQB-UHFFFAOYSA-N,C12H20O2,196.29,196.1463299,3.1,26.3,269,0,0,2,2,14,,,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,1,0,0
ISOBORNYL ACRYLATE,005888-33-5,639970,"[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] prop-2-enoate",C[C@@]12CC[C@@H](C1(C)C)C[C@H]2OC(=O)C=C,"InChI=1S/C13H20O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h5,9-10H,1,6-8H2,2-4H3/t9-,10-,13+/m1/s1",PSGCQDPCAWOCSH-BREBYQMCSA-N,C13H20O2,208.3,208.1463299,3.9,26.3,306,0,0,2,3,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"SILANE, BICYCLO[2.2.1]HEPT-2-YLTRICHLORO-",018245-29-9,86685,2-bicyclo[2.2.1]heptanyl(trichloro)silane,C1CC2CC1CC2[Si](Cl)(Cl)Cl,"InChI=1S/C7H11Cl3Si/c8-11(9,10)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2",FMUGJGVGEWHETE-UHFFFAOYSA-N,C7H11Cl3Si,229.6,227.96956,,0,166,0,0,0,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BICYCLO[2.2.1]HEPTANE-2-METHANOL, .ALPHA.,3,3-TRIMETHYL-",066062-78-0,106672,"1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol",CC(C1C2CCC(C2)C1(C)C)O,"InChI=1S/C11H20O/c1-7(12)10-8-4-5-9(6-8)11(10,2)3/h7-10,12H,4-6H2,1-3H3",DLLWYTGUPJUVGW-UHFFFAOYSA-N,C11H20O,168.28,168.1514153,3.1,20.2,185,0,1,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-Norbornanamine, N,2,3,3-tetramethyl-, hydrochloride",826-39-1,13221,"N,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine;hydrochloride",CC1(C2CCC(C2)C1(C)NC)C.Cl,"InChI=1S/C11H21N.ClH/c1-10(2)8-5-6-9(7-8)11(10,3)12-4;/h8-9,12H,5-7H2,1-4H3;1H",PKVZBNCYEICAQP-UHFFFAOYSA-N,C11H22ClN,203.75,203.1440774,,12,197,0,2,1,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-Norbornanol,1632-68-4,79028,bicyclo[2.2.1]heptan-2-ol,C1CC2CC1CC2O,"InChI=1S/C7H12O/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2",ZQTYQMYDIHMKQB-UHFFFAOYSA-N,C7H12O,112.17,112.088815,1.3,20.2,101,0,1,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-Norbornanedicarboxylic acid, endo,endo-",2435-37-2,99835,"bicyclo[2.2.1]heptane-2,3-dicarboxylic acid",C1CC2CC1C(C2C(=O)O)C(=O)O,"InChI=1S/C9H12O4/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h4-7H,1-3H2,(H,10,11)(H,12,13)",IVVOCRBADNIWDM-UHFFFAOYSA-N,C9H12O4,184.19,184.0735589,1,74.6,234,0,2,4,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Bornanamine, N-methyl-, hydrochloride, endo-(+-)-",22321-23-9,24835824,"N,1,7,7-tetramethylbicyclo[2.2.1]heptan-2-amine;hydrochloride",CC1(C2CCC1(C(C2)NC)C)C.Cl,"InChI=1S/C11H21N.ClH/c1-10(2)8-5-6-11(10,3)9(7-8)12-4;/h8-9,12H,5-7H2,1-4H3;1H",JNYXLBJREIYFBF-UHFFFAOYSA-N,C11H22ClN,203.75,203.1440774,,12,197,0,2,1,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Bornanamine, hydrochloride, endo-(+-)-",24629-54-7,458423,"1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride",CC1(C2CCC1(C(C2)N)C)C.Cl,"InChI=1S/C10H19N.ClH/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h7-8H,4-6,11H2,1-3H3;1H",XVVITZVHMWAHIG-UHFFFAOYSA-N,C10H20ClN,189.72,189.1284273,,26,185,0,2,1,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, N-(2-bornyl)-, endo-(+-)-",24629-80-9,212644,"N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide",CC(=O)NC1CC2CCC1(C2(C)C)C,"InChI=1S/C12H21NO/c1-8(14)13-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3,(H,13,14)",PNZAEYAVGJMPAY-UHFFFAOYSA-N,C12H21NO,195.3,195.1623143,2.7,29.1,271,0,1,1,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Bicyclo(2.2.1)heptane-2,2-dicarbonitrile, 3,3-bis(trifluoromethyl)-5,6-dichloro-, (exo,exo)-",82947-62-4,3068122,"(1S,4R,5S,6R)-5,6-dichloro-3,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane-2,2-dicarbonitrile",C1[C@@H]2[C@H]([C@H]([C@H]1C(C2(C#N)C#N)(C(F)(F)F)C(F)(F)F)Cl)Cl,"InChI=1S/C11H6Cl2F6N2/c12-6-4-1-5(7(6)13)9(10(14,15)16,11(17,18)19)8(4,2-20)3-21/h4-7H,1H2/t4-,5+,6-,7+/m1/s1",NTESZNJQNKSALM-UCROKIRRSA-N,C11H6Cl2F6N2,351.07,349.9812226,3.8,47.6,535,0,0,8,0,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Norbornanamine, N,2,3,3-tetramethyl-, R-(-)-",,98480,bicyclo[2.2.1]heptan-2-amine,C1CC2CC1CC2N,"InChI=1S/C7H13N/c8-7-4-5-1-2-6(7)3-5/h5-7H,1-4,8H2",JEPPYVOSGKWVSJ-UHFFFAOYSA-N,C7H13N,111.18,111.1047994,1,26,101,0,1,1,0,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Norbornane, 2-amino-3,3-dimethyl-, hydrochloride",,3029576,"3,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride",CC1(C2CCC(C2)C1N)C.Cl,"InChI=1S/C9H17N.ClH/c1-9(2)7-4-3-6(5-7)8(9)10;/h6-8H,3-5,10H2,1-2H3;1H",YHRWFCMLWGGYRA-UHFFFAOYSA-N,C9H18ClN,175.7,175.1127773,,26,151,0,2,1,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BICYCLO[2.2.1]HEPTANE, 2-METHOXY-1,7,7-TRIMETHYL-, EXO-",005331-32-8,95330,"2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane",CC1(C2CCC1(C(C2)OC)C)C,"InChI=1S/C11H20O/c1-10(2)8-5-6-11(10,3)9(7-8)12-4/h8-9H,5-7H2,1-4H3",ZRHVOKYSOWTPIG-UHFFFAOYSA-N,C11H20O,168.28,168.1514153,3.3,9.2,197,0,0,1,1,12,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-",052557-98-9,99843,"3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid",CC1(C2CCC(C2)C1C(=O)O)C,"InChI=1S/C10H16O2/c1-10(2)7-4-3-6(5-7)8(10)9(11)12/h6-8H,3-5H2,1-2H3,(H,11,12)",KJKODDSNIDHCKV-UHFFFAOYSA-N,C10H16O2,168.23,168.1150297,2.6,37.3,220,0,1,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Norbornanamine, N,2,3,3-tetramethyl-",60-40-2,4032,"N,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine",CC1(C2CCC(C2)C1(C)NC)C,"InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3",IMYZQPCYWPFTAG-UHFFFAOYSA-N,C11H21N,167.29,167.1673997,2.6,12,197,0,1,1,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acrylic acid, 2-norbornyl ester",10027-06-2,14832789,"[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate",C=CC(=O)O[C@H]1C[C@@H]2CC[C@H]1C2,"InChI=1S/C10H14O2/c1-2-10(11)12-9-6-7-3-4-8(9)5-7/h2,7-9H,1,3-6H2/t7-,8+,9+/m1/s1",IQYMRQZTDOLQHC-VGMNWLOBSA-N,C10H14O2,166.22,166.0993797,2.4,26.3,210,0,0,2,3,12,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"2-Bornanamine, hydrochloride, exo-(-)-",24629-78-5,198024,"(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride",C[C@@]12CC[C@@H](C1(C)C)C[C@H]2N.Cl,"InChI=1S/C10H19N.ClH/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h7-8H,4-6,11H2,1-3H3;1H/t7-,8-,10+;/m1./s1",XVVITZVHMWAHIG-NDYRHZEOSA-N,C10H20ClN,189.72,189.1284273,,26,185,0,2,1,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ADENINE,000073-24-5,190,7H-purin-6-amine,C1=NC2=NC=NC(=C2N1)N,"InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)",GFFGJBXGBJISGV-UHFFFAOYSA-N,C5H5N5,135.13,135.0544952,-0.1,80.5,127,0,2,4,0,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,6-DICHLORO-1H-PURINE",005451-40-1,5324412,"2,6-dichloro-7H-purine",C1=NC2=C(N1)C(=NC(=N2)Cl)Cl,"InChI=1S/C5H2Cl2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)",RMFWVOLULURGJI-UHFFFAOYSA-N,C5H2Cl2N4,189,187.9656515,1.7,54.5,155,0,1,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
6-METHYLPURINE,002004-03-7,5287547,6-methyl-7H-purine,CC1=C2C(=NC=N1)N=CN2,"InChI=1S/C6H6N4/c1-4-5-6(9-2-7-4)10-3-8-5/h2-3H,1H3,(H,7,8,9,10)",SYMHUEFSSMBHJA-UHFFFAOYSA-N,C6H6N4,134.14,134.0592462,0.5,54.5,127,0,1,3,0,10,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
6-(METHYLAMINO) PURINE,000443-72-1,67955,N-methyl-7H-purin-6-amine,CNC1=NC=NC2=C1NC=N2,"InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)",CKOMXBHMKXXTNW-UHFFFAOYSA-N,C6H7N5,149.15,149.0701452,0.6,66.5,139,0,2,4,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIAMINOPURINE",001904-98-9,30976,"7H-purine-2,6-diamine",C1=NC2=NC(=NC(=C2N1)N)N,"InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)",MSSXOMSJDRHRMC-UHFFFAOYSA-N,C5H6N6,150.14,150.0653942,-0.9,107,150,0,3,5,0,11,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-PURIN-6-AMINE, MONOHYDROCHLORIDE",002922-28-3,76219,7H-purin-6-amine;hydrochloride,C1=NC2=NC=NC(=C2N1)N.Cl,"InChI=1S/C5H5N5.ClH/c6-4-3-5(9-1-7-3)10-2-8-4;/h1-2H,(H3,6,7,8,9,10);1H",UQVDQSWZQXDUJB-UHFFFAOYSA-N,C5H6ClN5,171.59,171.0311729,,80.5,127,0,3,4,0,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-AMINOPURINE,000452-06-2,9955,7H-purin-2-amine,C1=C2C(=NC(=N1)N)N=CN2,"InChI=1S/C5H5N5/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H3,6,7,8,9,10)",MWBWWFOAEOYUST-UHFFFAOYSA-N,C5H5N5,135.13,135.0544952,-0.2,80.5,127,0,2,4,0,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRANS-ZEATIN,001637-39-4,449093,(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol,C/C(=C\CNC1=NC=NC2=C1NC=N2)/CO,"InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+",UZKQTCBAMSWPJD-FARCUNLSSA-N,C10H13N5O,219.24,219.1120101,0.7,86.7,258,0,3,5,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"6-(GAMMA,GAMMA-DIMETHYLALLYLAMINO)PURINE",002365-40-4,92180,N-(3-methylbut-2-enyl)-7H-purin-6-amine,CC(=CCNC1=NC=NC2=C1NC=N2)C,"InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)",HYVABZIGRDEKCD-UHFFFAOYSA-N,C10H13N5,203.24,203.1170954,2.1,66.5,236,0,2,4,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-DIMETHYLAMINOPURINE,000938-55-6,3134,"N,N-dimethyl-7H-purin-6-amine",CN(C)C1=NC=NC2=C1NC=N2,"InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)",BVIAOQMSVZHOJM-UHFFFAOYSA-N,C7H9N5,163.18,163.0857953,0.7,57.7,160,0,1,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Purine, 6-(pentylthio)-",005443-89-0,79515,6-pentylsulfanyl-7H-purine,CCCCCSC1=NC=NC2=C1NC=N2,"InChI=1S/C10H14N4S/c1-2-3-4-5-15-10-8-9(12-6-11-8)13-7-14-10/h6-7H,2-5H2,1H3,(H,11,12,13,14)",UDXMVJZRHSMPEJ-UHFFFAOYSA-N,C10H14N4S,222.31,222.0939176,2.5,79.8,190,0,1,4,5,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DL-DIHYDROZEATIN,014894-18-9,32021,2-methyl-4-(7H-purin-6-ylamino)butan-1-ol,CC(CCNC1=NC=NC2=C1NC=N2)CO,"InChI=1S/C10H15N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7,16H,2-4H2,1H3,(H2,11,12,13,14,15)",XXFACTAYGKKOQB-UHFFFAOYSA-N,C10H15N5O,221.26,221.1276601,0.9,86.7,215,0,3,5,5,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Adenine, N-hydroxy-",005667-20-9,21876,N-(7H-purin-6-yl)hydroxylamine,C1=NC2=C(N1)C(=NC=N2)NO,"InChI=1S/C5H5N5O/c11-10-5-3-4(7-1-6-3)8-2-9-5/h1-2,11H,(H2,6,7,8,9,10)",CBCQWVQNMGNYEO-UHFFFAOYSA-N,C5H5N5O,151.13,151.0494098,0.1,86.7,143,0,3,5,1,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Purine, 2-amino-, mononitrate",51-16-1,160416,nitric acid;7H-purin-2-amine,C1=C2C(=NC(=N1)N)N=CN2.[N+](=O)(O)[O-],"InChI=1S/C5H5N5.HNO3/c6-5-7-1-3-4(10-5)9-2-8-3;2-1(3)4/h1-2H,(H3,6,7,8,9,10);(H,2,3,4)",PGDNOZBGABWZLD-UHFFFAOYSA-N,C5H6N6O3,198.14,198.0501381,,147,152,0,3,7,0,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propionic acid, 3-(purin-6-ylthio)-",608-10-6,69096,3-(7H-purin-6-ylsulfanyl)propanoic acid,C1=NC2=C(N1)C(=NC=N2)SCCC(=O)O,"InChI=1S/C8H8N4O2S/c13-5(14)1-2-15-8-6-7(10-3-9-6)11-4-12-8/h3-4H,1-2H2,(H,13,14)(H,9,10,11,12)",CSOKIZRBAMNJDO-UHFFFAOYSA-N,C8H8N4O2S,224.24,224.0367967,0.9,117,241,0,2,6,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Purine, 6-bromo-",767-69-1,5287830,6-bromo-7H-purine,C1=NC2=C(N1)C(=NC=N2)Br,"InChI=1S/C5H3BrN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)",CTGFGRDVWBZYNB-UHFFFAOYSA-N,C5H3BrN4,199.01,197.95411,1.3,54.5,131,0,1,3,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Purine-6-carbonitrile,2036-13-7,74858,7H-purine-6-carbonitrile,C1=NC2=NC=NC(=C2N1)C#N,"InChI=1S/C6H3N5/c7-1-4-5-6(10-2-8-4)11-3-9-5/h2-3H,(H,8,9,10,11)",NHYQQYMSESLQDX-UHFFFAOYSA-N,C6H3N5,145.12,145.0388451,0.3,78.3,194,0,1,4,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Purine, 2,6-dichloro-7-methyl-",2273-93-0,75281,"2,6-dichloro-7-methylpurine",CN1C=NC2=C1C(=NC(=N2)Cl)Cl,"InChI=1S/C6H4Cl2N4/c1-12-2-9-5-3(12)4(7)10-6(8)11-5/h2H,1H3",HVMUWHZAZGTMJK-UHFFFAOYSA-N,C6H4Cl2N4,203.03,201.9813015,2,43.6,179,0,0,3,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Purine, 6-(ethylthio)-",5417-84-5,94971,6-ethylsulfanyl-7H-purine,CCSC1=NC=NC2=C1NC=N2,"InChI=1S/C7H8N4S/c1-2-12-7-5-6(9-3-8-5)10-4-11-7/h3-4H,2H2,1H3,(H,8,9,10,11)",XTJLAIOQORFEOI-UHFFFAOYSA-N,C7H8N4S,180.23,180.0469675,1.5,79.8,154,0,1,4,2,12,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Purine, 6-(octylthio)-",6974-89-6,95177,6-octylsulfanyl-7H-purine,CCCCCCCCSC1=NC=NC2=C1NC=N2,"InChI=1S/C13H20N4S/c1-2-3-4-5-6-7-8-18-13-11-12(15-9-14-11)16-10-17-13/h9-10H,2-8H2,1H3,(H,14,15,16,17)",YUEJEKKOQIRLNK-UHFFFAOYSA-N,C13H20N4S,264.39,264.1408678,4.1,79.8,227,0,1,4,8,18,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Purin-2-amine, 6-methoxy-",20535-83-5,65275,6-methoxy-7H-purin-2-amine,COC1=NC(=NC2=C1NC=N2)N,"InChI=1S/C6H7N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)",BXJHWYVXLGLDMZ-UHFFFAOYSA-N,C6H7N5O,165.15,165.0650599,-0.2,89.7,166,0,2,5,1,12,,,0,1,1,1,0,0,0,1,0,0,1,0,0,1,0,0,1,0,0,1
"Adenine, phosphate",52175-10-7,198277,phosphoric acid;7H-purin-6-amine,C1=NC2=NC=NC(=C2N1)N.OP(=O)(O)O,"InChI=1S/C5H5N5.H3O4P/c6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4/h1-2H,(H3,6,7,8,9,10);(H3,1,2,3,4)",CCHNOBQMQBSRHQ-UHFFFAOYSA-N,C5H8N5O4P,233.12,233.0313908,,158,177,0,5,8,0,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanol, 2-((6-amino-1H-purin-8-yl)amino)-",66813-29-4,196443,2-[(6-amino-7H-purin-8-yl)amino]ethanol,C1=NC(=C2C(=N1)N=C(N2)NCCO)N,"InChI=1S/C7H10N6O/c8-5-4-6(11-3-10-5)13-7(12-4)9-1-2-14/h3,14H,1-2H2,(H4,8,9,10,11,12,13)",CRWIVQWPUFWSCJ-UHFFFAOYSA-N,C7H10N6O,194.19,194.091609,-0.6,113,191,0,4,6,3,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-CHLOROPURINE,000087-42-3,5359277,6-chloro-7H-purine,C1=NC2=C(N1)C(=NC=N2)Cl,"InChI=1S/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)",ZKBQDFAWXLTYKS-UHFFFAOYSA-N,C5H3ClN4,154.56,154.0046238,1.2,54.5,131,0,1,3,0,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Adenine, 2-fluoro-",700-49-2,12790,2-fluoro-7H-purin-6-amine,C1=NC2=NC(=NC(=C2N1)N)F,"InChI=1S/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)",WKMPTBDYDNUJLF-UHFFFAOYSA-N,C5H4FN5,153.12,153.0450733,-0.1,80.5,154,0,2,5,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Purin-6-amine, 8-bromo-",6974-78-3,81457,8-bromo-7H-purin-6-amine,C1=NC(=C2C(=N1)N=C(N2)Br)N,"InChI=1S/C5H4BrN5/c6-5-10-2-3(7)8-1-9-4(2)11-5/h1H,(H3,7,8,9,10,11)",FVXHPCVBOXMRJP-UHFFFAOYSA-N,C5H4BrN5,214.02,212.96501,0.8,80.5,154,0,2,4,0,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Purine, 6-ethoxy-",17861-06-2,87338,6-ethoxy-7H-purine,CCOC1=NC=NC2=C1NC=N2,"InChI=1S/C7H8N4O/c1-2-12-7-5-6(9-3-8-5)10-4-11-7/h3-4H,2H2,1H3,(H,8,9,10,11)",BMLKPGJBYUTIHT-UHFFFAOYSA-N,C7H8N4O,164.16,164.0698109,0.9,63.7,154,0,1,4,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Adenine, N-methyl-N-nitroso-",21928-82-5,30861,N-methyl-N-(7H-purin-6-yl)nitrous amide,CN(C1=NC=NC2=C1NC=N2)N=O,"InChI=1S/C6H6N6O/c1-12(11-13)6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)",HTWGDSKVENTDTB-UHFFFAOYSA-N,C6H6N6O,178.15,178.0603088,0.3,87.1,200,0,1,6,1,13,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-CHLORO-N,N-DIMETHYL-10H-PHENOTHIAZINE-10-PROPANAMINE MONOHYDROCHLORIDE",000069-09-0,6240,"3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride",CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl,"InChI=1S/C17H19ClN2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H",FBSMERQALIEGJT-UHFFFAOYSA-N,C17H20Cl2N2S,355.3,354.0724252,,31.8,339,0,1,3,4,22,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenothiazine, 10-(3-(dimethylamino)propyl)-2-(trifluoromethyl)-",000146-54-3,5568,"N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine",CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F,"InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3",XSCGXQMFQXDFCW-UHFFFAOYSA-N,C18H19F3N2S,352.4,352.1221043,5.2,31.8,416,0,0,6,4,24,,176 °C @ 0.7 MM HG,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PHENERGAN,000058-33-3,6014,"N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;hydrochloride",CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.Cl,"InChI=1S/C17H20N2S.ClH/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;/h4-11,13H,12H2,1-3H3;1H",XXPDBLUZJRXNNZ-UHFFFAOYSA-N,C17H21ClN2S,320.9,320.1113975,,31.8,298,0,1,3,3,21,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"Phenothiazine, 10-(2-dimethylaminopropyl)-",000060-87-7,4927,"N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine",CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C,"InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3",PWWVAXIEGOYWEE-UHFFFAOYSA-N,C17H20N2S,284.4,284.1347198,4.8,31.8,298,0,0,3,3,20,,"374 to 379 °F at 3 mmHg (NTP, 1992)",0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"10H-PHENOTHIAZINE-10-PROPANAMINE, N,N-DIMETHYL-, MONOHYDROCHLORIDE",000053-60-1,5887,"N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride",CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C31.Cl,"InChI=1S/C17H20N2S.ClH/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19;/h3-6,8-11H,7,12-13H2,1-2H3;1H",JIVSXRLRGOICGA-UHFFFAOYSA-N,C17H21ClN2S,320.9,320.1113975,,31.8,285,0,1,3,4,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Phenothiazine, 10-(3-(dimethylamino)propyl)-",000058-40-2,4926,"N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine",CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C31,"InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3",ZGUGWUXLJSTTMA-UHFFFAOYSA-N,C17H20N2S,284.4,284.1347198,4.5,31.8,285,0,0,3,4,20,,203-210 °C at 3.00E-01 mm Hg,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"10H-PHENOTHIAZINE, 2-(TRIFLUOROMETHYL)-",000092-30-8,7082,2-(trifluoromethyl)-10H-phenothiazine,C1=CC=C2C(=C1)NC3=C(S2)C=CC(=C3)C(F)(F)F,"InChI=1S/C13H8F3NS/c14-13(15,16)8-5-6-12-10(7-8)17-9-3-1-2-4-11(9)18-12/h1-7,17H",RKGYJVASTMCSHZ-UHFFFAOYSA-N,C13H8F3NS,267.27,267.0329549,5,37.3,307,0,1,5,0,18,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"10H-PHENOTHIAZINE, 3-CHLORO-",001207-99-4,71017,3-chloro-10H-phenothiazine,C1=CC=C2C(=C1)NC3=C(S2)C=C(C=C3)Cl,"InChI=1S/C12H8ClNS/c13-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)14-10/h1-7,14H",DPUVPRWTWNQSOS-UHFFFAOYSA-N,C12H8ClNS,233.72,233.0065981,4.8,37.3,236,0,1,2,0,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"10H-PHENOTHIAZINE, 2-(METHYLTHIO)-",007643-08-5,82096,2-methylsulfanyl-10H-phenothiazine,CSC1=CC2=C(C=C1)SC3=CC=CC=C3N2,"InChI=1S/C13H11NS2/c1-15-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)16-13/h2-8,14H,1H3",OBVKBOLDEFIQDP-UHFFFAOYSA-N,C13H11NS2,245.4,245.0332917,4.7,62.6,246,0,1,3,1,16,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,1
"Phenothiazine, 10-(3-(dimethylamino)-2-methylpropyl)-2-methoxy-, (-)-",60-99-1,72287,"(2R)-3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine",C[C@@H](CN1C2=CC=CC=C2SC3=C1C=C(C=C3)OC)CN(C)C,"InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-/m1/s1",VRQVVMDWGGWHTJ-CQSZACIVSA-N,C19H24N2OS,328.5,328.1609346,4.7,41,378,0,0,4,5,23,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenothiazine, 10-(3-(dimethylamino)-2-methylpropyl)-",84-96-8,5574,"N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine",CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C,"InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3",ZZHLYYDVIOPZBE-UHFFFAOYSA-N,C18H22N2S,298.4,298.1503699,4.7,31.8,311,0,0,3,4,21,,150-175 °C at 3.00E-01 mm Hg,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"1-Propanone, 1-(10-(2-(dimethylamino)propyl)-10H-phenothiazin-2-yl)-",362-29-8,4940,1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one,CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CC(C)N(C)C,"InChI=1S/C20H24N2OS/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20/h6-12,14H,5,13H2,1-4H3",UVOIBTBFPOZKGP-UHFFFAOYSA-N,C20H24N2OS,340.5,340.1609346,4.8,48.9,441,0,0,4,5,24,,235-245 °C @ 0.5 MM HG,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Phenothiazine, 10-(3-(dimethylamino)-2-methylpropyl)-2-methoxy-, hydrochloride",1236-99-3,11954230,"(2R)-3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine;hydrochloride",C[C@@H](CN1C2=CC=CC=C2SC3=C1C=C(C=C3)OC)CN(C)C.Cl,"InChI=1S/C19H24N2OS.ClH/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21;/h5-11,14H,12-13H2,1-4H3;1H/t14-;/m1./s1",ODLGFPIWRAEFAN-PFEQFJNWSA-N,C19H25ClN2OS,364.9,364.1376123,,41,378,0,1,4,5,24,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"Phenothiazine, 2-chloro-10-(3-(dimethylamino)propyl)-7-hydroxy-",2095-62-7,16414,8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-3-ol,CN(C)CCCN1C2=C(C=C(C=C2)O)SC3=C1C=C(C=C3)Cl,"InChI=1S/C17H19ClN2OS/c1-19(2)8-3-9-20-14-6-5-13(21)11-17(14)22-16-7-4-12(18)10-15(16)20/h4-7,10-11,21H,3,8-9H2,1-2H3",HICFFJZGXWEIHN-UHFFFAOYSA-N,C17H19ClN2OS,334.9,334.0906621,4.8,52,371,0,1,4,4,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Propanone, 1-(10-(2-dimethylaminopropyl)-phenothiazin-2-yl)-, maleate",3568-23-8,5702109,(Z)-but-2-enedioic acid;1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one,CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CC(C)N(C)C.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C20H24N2OS.C4H4O4/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20;5-3(6)1-2-4(7)8/h6-12,14H,5,13H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-",ILEKKZUHFYUQIE-BTJKTKAUSA-N,C24H28N2O5S,456.6,456.1718932,,123,560,0,2,8,7,32,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"Propionitrile, 3-(2-chloro-10-phenothiazinyl)-",4414-83-9,98830,3-(2-chlorophenothiazin-10-yl)propanenitrile,C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)CCC#N,"InChI=1S/C15H11ClN2S/c16-11-6-7-15-13(10-11)18(9-3-8-17)12-4-1-2-5-14(12)19-15/h1-2,4-7,10H,3,9H2",BUHZIQWDEWOJBM-UHFFFAOYSA-N,C15H11ClN2S,286.8,286.0331472,4.5,52.3,366,0,0,3,2,19,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
Phenothiazine-3-carbonitrile,28140-93-4,97617,10H-phenothiazine-3-carbonitrile,C1=CC=C2C(=C1)NC3=C(S2)C=C(C=C3)C#N,"InChI=1S/C13H8N2S/c14-8-9-5-6-11-13(7-9)16-12-4-2-1-3-10(12)15-11/h1-7,15H",PMWFJTLZEZSXEO-UHFFFAOYSA-N,C13H8N2S,224.28,224.0408194,3.9,61.1,308,0,1,3,0,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Carbamic acid, N-(10-(3-chloropropanoyl)-10H-phenothiazin-2-yl)-, ethyl ester",119407-03-3,2772062,ethyl N-[10-(3-chloropropanoyl)phenothiazin-2-yl]carbamate,CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CCCl,"InChI=1S/C18H17ClN2O3S/c1-2-24-18(23)20-12-7-8-16-14(11-12)21(17(22)9-10-19)13-5-3-4-6-15(13)25-16/h3-8,11H,2,9-10H2,1H3,(H,20,23)",HJLNLVIQJYXVBB-UHFFFAOYSA-N,C18H17ClN2O3S,376.9,376.0648413,3.9,83.9,493,0,1,4,5,25,,,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"Phenothiazine, 2-chloro-10-(3-(dimethylamino)propyl)-",000050-53-3,2726,"3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine",CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl,"InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3",ZPEIMTDSQAKGNT-UHFFFAOYSA-N,C17H19ClN2S,318.9,318.0957475,5.2,31.8,339,0,0,3,4,21,,200-205 °C at 8.00E-01 mm Hg,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
PHENOTHIAZINE,000092-84-2,7108,10H-phenothiazine,C1=CC=C2C(=C1)NC3=CC=CC=C3S2,"InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H",WJFKNYWRSNBZNX-UHFFFAOYSA-N,C12H9NS,199.27,199.0455705,4.2,37.3,186,0,1,2,0,14,202 °C,"700 °F at 760 mmHg (NTP, 1992)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
"10H-PHENOTHIAZINE, 10-METHYL-",001207-72-3,71015,10-methylphenothiazine,CN1C2=CC=CC=C2SC3=CC=CC=C31,"InChI=1S/C13H11NS/c1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14/h2-9H,1H3",QXBUYALKJGBACG-UHFFFAOYSA-N,C13H11NS,213.3,213.0612205,4.2,28.5,209,0,0,2,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenothiazine, 10-(3-(dimethylamino)propyl)-2-(trifluoromethyl)-, monohydrochloride",1098-60-8,66069,"N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine;hydrochloride",CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F.Cl,"InChI=1S/C18H19F3N2S.ClH/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H",FTNWXGFYRHWUKG-UHFFFAOYSA-N,C18H20ClF3N2S,388.9,388.098782,,31.8,416,0,1,6,4,25,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenothiazine, 10-(2-(dimethylamino)-1-methylethyl)-, hydrochloride",5568-90-1,110668,"N,N-dimethyl-2-phenothiazin-10-ylpropan-1-amine;hydrochloride",CC(CN(C)C)N1C2=CC=CC=C2SC3=CC=CC=C31.Cl,"InChI=1S/C17H20N2S.ClH/c1-13(12-18(2)3)19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;/h4-11,13H,12H2,1-3H3;1H",RISCHQYUHLQSBU-UHFFFAOYSA-N,C17H21ClN2S,320.9,320.1113975,,31.8,298,0,1,3,3,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ketone, 10-(2-(dimethylamino)propyl)phenothiazin-2-yl methyl",13461-01-3,26035,1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]ethanone,CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(=O)C)N(C)C,"InChI=1S/C19H22N2OS/c1-13(20(3)4)12-21-16-7-5-6-8-18(16)23-19-10-9-15(14(2)22)11-17(19)21/h5-11,13H,12H2,1-4H3",XLOQNFNTQIRSOX-UHFFFAOYSA-N,C19H22N2OS,326.5,326.1452845,4.3,48.9,428,0,0,4,4,23,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"2,5-DIMETHYLPYRROLE",000625-84-3,12265,"2,5-dimethyl-1H-pyrrole",CC1=CC=C(N1)C,"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3",PAPNRQCYSFBWDI-UHFFFAOYSA-N,C6H9N,95.14,95.07349929,1.5,15.8,53,0,1,0,0,7,,168.00 to 171.00 °C. @ 740.00 mm Hg,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
PYRROLE-2-CARBONITRILE,004513-94-4,138277,1H-pyrrole-2-carbonitrile,C1=CNC(=C1)C#N,"InChI=1S/C5H4N2/c6-4-5-2-1-3-7-5/h1-3,7H",BQMPGKPTOHKYHS-UHFFFAOYSA-N,C5H4N2,92.1,92.03744814,1.1,39.6,99,0,1,1,0,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-PYRROLE-2-ACETONITRILE, 1-METHYL-",024437-41-0,90501,2-(1-methylpyrrol-2-yl)acetonitrile,CN1C=CC=C1CC#N,"InChI=1S/C7H8N2/c1-9-6-2-3-7(9)4-5-8/h2-3,6H,4H2,1H3",ROSYAUHHRKAPHX-UHFFFAOYSA-N,C7H8N2,120.15,120.0687483,0.4,28.7,133,0,0,1,1,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-TRIISOPROPYLSILYLPYRROLE,087630-35-1,145136,tri(propan-2-yl)-pyrrol-1-ylsilane,CC(C)[Si](C(C)C)(C(C)C)N1C=CC=C1,"InChI=1S/C13H25NSi/c1-11(2)15(12(3)4,13(5)6)14-9-7-8-10-14/h7-13H,1-6H3",FBQURXLBJJNDBX-UHFFFAOYSA-N,C13H25NSi,223.43,223.1756263,,4.9,171,0,0,0,4,15,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
PYRROLE-2-CARBOXALDEHYDE,001003-29-8,13854,1H-pyrrole-2-carbaldehyde,C1=CNC(=C1)C=O,"InChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-4,6H",ZSKGQVFRTSEPJT-UHFFFAOYSA-N,C5H5NO,95.1,95.03711378,0.6,32.9,72,0,1,1,1,7,,216.00 to 218.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PYRROLE-2-CARBOXYLIC ACID,000634-97-9,12473,1H-pyrrole-2-carboxylic acid,C1=CNC(=C1)C(=O)O,"InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)",WRHZVMBBRYBTKZ-UHFFFAOYSA-N,C5H5NO2,111.1,111.0320284,0.8,53.1,103,0,2,2,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL 2-PYRROLECARBOXYLATE,001193-62-0,136930,methyl 1H-pyrrole-2-carboxylate,COC(=O)C1=CC=CN1,"InChI=1S/C6H7NO2/c1-9-6(8)5-3-2-4-7-5/h2-4,7H,1H3",VONGYFFEWFJHNP-UHFFFAOYSA-N,C6H7NO2,125.13,125.0476785,1.2,42.1,114,0,1,2,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYL 1H-PYRROLE-2-CARBXYLATE,002199-43-1,255670,ethyl 1H-pyrrole-2-carboxylate,CCOC(=O)C1=CC=CN1,"InChI=1S/C7H9NO2/c1-2-10-7(9)6-4-3-5-8-6/h3-5,8H,2H2,1H3",PAEYAKGINDQUCT-UHFFFAOYSA-N,C7H9NO2,139.15,139.0633285,1.5,42.1,125,0,1,2,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-PYRROLE-3-PROPANOIC ACID, 5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-",000487-90-1,1021,3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid,C1=C(C(=C(N1)CN)CC(=O)O)CCC(=O)O,"InChI=1S/C10H14N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h5,12H,1-4,11H2,(H,13,14)(H,15,16)",QSHWIQZFGQKFMA-UHFFFAOYSA-N,C10H14N2O4,226.23,226.0953569,-3.5,116,270,0,4,5,6,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(1-ETHYL-1H-PYRROL-2-YL)-",039741-41-8,61988,1-(1-ethylpyrrol-2-yl)ethanone,CCN1C=CC=C1C(=O)C,"InChI=1S/C8H11NO/c1-3-9-6-4-5-8(9)7(2)10/h4-6H,3H2,1-2H3",HQADRFRTIALOCB-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,1,22,133,0,0,1,2,10,,209.00 to 211.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
LACCASE,080498-15-3,3153309,"1-ethyl-2,5-dimethylpyrrole-3-carbaldehyde",CCN1C(=CC(=C1C)C=O)C,"InChI=1S/C9H13NO/c1-4-10-7(2)5-9(6-11)8(10)3/h5-6H,4H2,1-3H3",NWDZDFOKSUDVJV-UHFFFAOYSA-N,C9H13NO,151.21,151.099714,1.2,22,146,0,0,1,2,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"Pyrrole, 3-ethyl-2,4-dimethyl-",517-22-6,10600,"3-ethyl-2,4-dimethyl-1H-pyrrole",CCC1=C(NC=C1C)C,"InChI=1S/C8H13N/c1-4-8-6(2)5-9-7(8)3/h5,9H,4H2,1-3H3",ZEBBLOXDLGIMEG-UHFFFAOYSA-N,C8H13N,123.2,123.1047994,2.3,15.8,90,0,1,0,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, ethyl ester",2386-26-7,16947,"ethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate",CCOC(=O)C1=C(C(=C(N1)C)C(=O)C)C,"InChI=1S/C11H15NO3/c1-5-15-11(14)10-6(2)9(8(4)13)7(3)12-10/h12H,5H2,1-4H3",ALRDOFWBPAZOCW-UHFFFAOYSA-N,C11H15NO3,209.24,209.1051933,1.7,59.2,265,0,1,3,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrrole-3-carboxylic acid, 5-acetyl-2,4-dimethyl-, ethyl ester",6314-22-3,22769,"ethyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate",CCOC(=O)C1=C(NC(=C1C)C(=O)C)C,"InChI=1S/C11H15NO3/c1-5-15-11(14)9-6(2)10(8(4)13)12-7(9)3/h12H,5H2,1-4H3",ZCNAULQFSXEJTD-UHFFFAOYSA-N,C11H15NO3,209.24,209.1051933,1.7,59.2,265,0,1,3,4,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ketone, methyl 2,4,5-trimethylpyrrol-3-yl",19005-95-9,29375,"1-(2,4,5-trimethyl-1H-pyrrol-3-yl)ethanone",CC1=C(NC(=C1C(=O)C)C)C,"InChI=1S/C9H13NO/c1-5-6(2)10-7(3)9(5)8(4)11/h10H,1-4H3",XVBRWTVSTZYJIB-UHFFFAOYSA-N,C9H13NO,151.21,151.099714,1.6,32.9,167,0,1,1,1,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrrole-3-methanol, 1-methyl-",68384-83-8,149434,(1-methylpyrrol-3-yl)methanol,CN1C=CC(=C1)CO,"InChI=1S/C6H9NO/c1-7-3-2-6(4-7)5-8/h2-4,8H,5H2,1H3",GAWOWMPYDQEGOT-UHFFFAOYSA-N,C6H9NO,111.14,111.0684139,-0.2,25.2,74,0,1,1,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrrole-3-carbonitrile, 4,5-dihydro-4,4-diphenyl-2-(methylthio)-5-oxo-1-(3-(1-piperidinyl)propyl)-",95066-78-7,564206,1H-pyrrole-3-carbonitrile,C1=CNC=C1C#N,"InChI=1S/C5H4N2/c6-3-5-1-2-7-4-5/h1-2,4,7H",PCYWMDGJYQAMCR-UHFFFAOYSA-N,C5H4N2,92.1,92.03744814,0.4,39.6,99,0,1,1,0,7,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrrole-2-acetic acid, 2,3-dihydro-5-carboxy-4-((5-((dimethylamino)carbonyl)-3-pyrrolidinyl)thio)-alpha-(1-hydroxyethyl)-3-methyl-, (2S-(2-alpha(S*(S*)),3-alpha,4(3R*,5R*)))-",150432-37-4,4220146,2-(1H-pyrrol-2-yl)acetic acid,C1=CNC(=C1)CC(=O)O,"InChI=1S/C6H7NO2/c8-6(9)4-5-2-1-3-7-5/h1-3,7H,4H2,(H,8,9)",GVUHUYQEAGMUNJ-UHFFFAOYSA-N,C6H7NO2,125.13,125.0476785,0.2,53.1,114,0,2,2,2,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrrole-1-acetic acid, 3-acetyl-2,4-dimethyl-5-phenyl-",,242027,2-pyrrol-1-ylacetic acid,C1=CN(C=C1)CC(=O)O,"InChI=1S/C6H7NO2/c8-6(9)5-7-3-1-2-4-7/h1-4H,5H2,(H,8,9)",CHRZYRWWZQCZBV-UHFFFAOYSA-N,C6H7NO2,125.13,125.0476785,0.7,42.2,108,0,1,2,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrrole-2-carboxamide, 4-(acetylamino)-N-(5-((1-(chloromethyl)-2,3-dihydro-5-hydroxy-1H-benzo(e)indol-3-yl)carbonyl)-1-methyl-1H-pyrrol-3-yl)-",,573553,1H-pyrrole-2-carboxamide,C1=CNC(=C1)C(=O)N,"InChI=1S/C5H6N2O/c6-5(8)4-2-1-3-7-4/h1-3,7H,(H2,6,8)",RLOQBKJCOAXOLR-UHFFFAOYSA-N,C5H6N2O,110.11,110.0480128,0.2,58.9,103,0,2,1,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrrole-3-carboxamide, N-(1,3-benzodioxol-5-yl)-2,5-dihydro-4,5,5-trimethyl-2-oxo-",,19067979,1H-pyrrole-3-carboxamide,C1=CNC=C1C(=O)N,"InChI=1S/C5H6N2O/c6-5(8)4-1-2-7-3-4/h1-3,7H,(H2,6,8)",AKWIAIDKXNKXDI-UHFFFAOYSA-N,C5H6N2O,110.11,110.0480128,-0.4,58.9,103,0,2,1,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PYRROLE,000109-97-7,8027,1H-pyrrole,C1=CNC=C1,InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H,KAESVJOAVNADME-UHFFFAOYSA-N,C4H5N,67.09,67.04219916,0.7,15.8,22,0,1,0,0,5,102 °F (39 °C) (CLOSED CUP),129.7 °C,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
1-METHYLPYRROLE,000096-54-8,7304,1-methylpyrrole,CN1C=CC=C1,"InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3",OXHNLMTVIGZXSG-UHFFFAOYSA-N,C5H7N,81.12,81.05784923,1.2,4.9,37,0,0,0,0,6,16 °C,"The Guide in the Emergency Response Guidebook is for ""Flammable liquid, n.o.s."" 112-113 °C",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"Ketone, 2,4-dimethylpyrrol-3-yl methyl",2386-25-6,15163,"1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone",CC1=CNC(=C1C(=O)C)C,"InChI=1S/C8H11NO/c1-5-4-9-6(2)8(5)7(3)10/h4,9H,1-3H3",VGZCKCJMYREIKA-UHFFFAOYSA-N,C8H11NO,137.18,137.084064,1.2,32.9,144,0,1,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrrole-3-propanoic acid, 1-((2S,3S)-2-((2,3-dihydro-1H-inden-2-yl)methyl)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl)-",,22135411,3-(1H-pyrrol-3-yl)propanoic acid,C1=CNC=C1CCC(=O)O,"InChI=1S/C7H9NO2/c9-7(10)2-1-6-3-4-8-5-6/h3-5,8H,1-2H2,(H,9,10)",RJYXUUHRYSSIKQ-UHFFFAOYSA-N,C7H9NO2,139.15,139.0633285,0.5,53.1,125,0,2,2,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACRIDINE, 9-HYDRAZINO-",003407-93-0,18864,acridin-9-ylhydrazine,C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NN,"InChI=1S/C13H11N3/c14-16-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,14H2,(H,15,16)",SVANEUDZNISLJD-UHFFFAOYSA-N,C13H11N3,209.25,209.0952974,2.8,50.9,221,0,2,3,1,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9-ACRIDINAMINE, MONOHYDROCHLORIDE",000134-50-9,8643,acridin-9-amine;hydrochloride,C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N.Cl,"InChI=1S/C13H10N2.ClH/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;/h1-8H,(H2,14,15);1H",FTGPOQQGJVJDCT-UHFFFAOYSA-N,C13H11ClN2,230.69,230.0610761,,38.9,207,0,2,2,0,16,,,0,1,1,1,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,0
"Acridine, 6-chloro-9-(3-(N-(2-chloroethyl)-N-ethylamino)propylamino)-2-methoxy",000146-59-8,8971,"N'-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)-N'-ethylpropane-1,3-diamine;dihydrochloride",CCN(CCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)CCCl.Cl.Cl,"InChI=1S/C21H25Cl2N3O.2ClH/c1-3-26(12-9-22)11-4-10-24-21-17-7-5-15(23)13-20(17)25-19-8-6-16(27-2)14-18(19)21;;/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,24,25);2*1H",PWGOWIIEVDAYTC-UHFFFAOYSA-N,C21H27Cl4N3O,479.3,479.087873,,37.4,442,0,3,4,9,29,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ACRIDINE,000260-94-6,9215,acridine,C1=CC=C2C(=C1)C=C3C=CC=CC3=N2,InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H,DZBUGLKDJFMEHC-UHFFFAOYSA-N,C13H9N,179.22,179.0734993,3.4,12.9,181,0,0,1,0,14,,"655 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ACRIDINE YELLOW,000135-49-9,8672,"2,7-dimethylacridine-3,6-diamine;hydrochloride",CC1=CC2=CC3=C(C=C(C(=C3)C)N)N=C2C=C1N.Cl,"InChI=1S/C15H15N3.ClH/c1-8-3-10-5-11-4-9(2)13(17)7-15(11)18-14(10)6-12(8)16;/h3-7H,16-17H2,1-2H3;1H",BGLGAKMTYHWWKW-UHFFFAOYSA-N,C15H16ClN3,273.76,273.1032752,,64.9,278,0,3,3,0,19,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,6-ACRIDINEDIAMINE",000092-62-6,7099,"acridine-3,6-diamine",C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N,"InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2",WDVSHHCDHLJJJR-UHFFFAOYSA-N,C13H11N3,209.25,209.0952974,1.8,64.9,232,0,2,3,0,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,6-ACRIDINEDIAMINE, 2,7,9-TRIMETHYL-, MONOHYDROCHLORIDE",004215-95-6,72769,"2,7,9-trimethylacridine-3,6-diamine;hydrochloride",CC1=CC2=C(C3=C(C=C(C(=C3)C)N)N=C2C=C1N)C.Cl,"InChI=1S/C16H17N3.ClH/c1-8-4-11-10(3)12-5-9(2)14(18)7-16(12)19-15(11)6-13(8)17;/h4-7H,17-18H2,1-3H3;1H",NOFPXGWBWIPSHI-UHFFFAOYSA-N,C16H18ClN3,287.79,287.1189253,,64.9,302,0,3,3,0,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acridine, 6-chloro-9-((4-(diethylamino)-1-methylbutyl)amino)-2-methoxy-, dihyd",006151-30-0,2725002,"4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;dihydrate;dihydrochloride",CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.O.O.Cl.Cl,"InChI=1S/C23H30ClN3O.2ClH.2H2O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23;;;;/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26);2*1H;2*1H2",RZFNKJVCPDLQQA-UHFFFAOYSA-N,C23H36Cl3N3O3,508.9,507.182225,,39.4,461,0,5,6,9,32,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIHYDROXY-9-ACRIDINECARBOXYLIC ACID",028332-99-2,135424170,"1,3-dihydroxyacridine-9-carboxylic acid",C1=CC=C2C(=C1)C(=C3C(=CC(=CC3=N2)O)O)C(=O)O,"InChI=1S/C14H9NO4/c16-7-5-10-13(11(17)6-7)12(14(18)19)8-3-1-2-4-9(8)15-10/h1-6,16-17H,(H,18,19)",JYTNCILGSJWIDM-UHFFFAOYSA-N,C14H9NO4,255.22,255.0531578,2.3,90.7,361,0,3,5,1,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACRIDINE, 9-CHLORO-",001207-69-8,71013,9-chloroacridine,C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)Cl,InChI=1S/C13H8ClN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,BPXINCHFOLVVSG-UHFFFAOYSA-N,C13H8ClN,213.66,213.034527,4.2,12.9,209,0,0,1,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,6-DIAMINOACRIDINE HYDROCHLORIDE",000952-23-8,197873,"acridine-3,6-diamine;hydrochloride",C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.Cl,"InChI=1S/C13H11N3.ClH/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;/h1-7H,14-15H2;1H",PBBGTVBGXBUVLT-UHFFFAOYSA-N,C13H12ClN3,245.71,245.0719751,,64.9,232,0,3,3,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ACRIDINE, 9-ISOTHIOCYANATO-",007620-46-4,82090,9-isothiocyanatoacridine,C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N=C=S,InChI=1S/C14H8N2S/c17-9-15-14-10-5-1-3-7-12(10)16-13-8-4-2-6-11(13)14/h1-8H,NLSUMBWPPJUVST-UHFFFAOYSA-N,C14H8N2S,236.29,236.0408194,4.9,57.3,302,0,0,3,1,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
ACRIDINE ORANGE,010127-02-3,159263,"zinc;3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine;dichloride;hydrochloride",CN(C)C1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)N(C)C.Cl.[Cl-].[Cl-].[Zn+2],"InChI=1S/C17H19N3.3ClH.Zn/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14;;;;/h5-11H,1-4H3;3*1H;/q;;;;+2/p-2",VADJQOXWNSPOQA-UHFFFAOYSA-L,C17H20Cl3N3Zn,438.1,435.001423,,19.4,298,0,1,5,2,24,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Acridine, 9-amino-",90-45-9,7019,acridin-9-amine,C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N,"InChI=1S/C13H10N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H2,14,15)",XJGFWWJLMVZSIG-UHFFFAOYSA-N,C13H10N2,194.23,194.0843983,2.8,38.9,207,0,1,2,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acridine, 9-methyl-",611-64-3,11913,9-methylacridine,CC1=C2C=CC=CC2=NC3=CC=CC=C13,"InChI=1S/C14H11N/c1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14/h2-9H,1H3",FLDRLXJNISEWNZ-UHFFFAOYSA-N,C14H11N,193.24,193.0891494,3.9,12.9,203,0,0,1,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acridine, 3,7-diamino-",3407-94-1,18865,"acridine-2,6-diamine",C1=CC(=CC2=NC3=C(C=C21)C=C(C=C3)N)N,"InChI=1S/C13H11N3/c14-10-3-4-12-9(6-10)5-8-1-2-11(15)7-13(8)16-12/h1-7H,14-15H2",AXNLREBQOMGJMQ-UHFFFAOYSA-N,C13H11N3,209.25,209.0952974,2.1,64.9,256,0,2,3,0,16,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acridine, 9-amino-3-chloro-7-methoxy-",9/2/48,19080,6-chloro-2-methoxyacridin-9-amine,COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)N,"InChI=1S/C14H11ClN2O/c1-18-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17-12/h2-7H,1H3,(H2,16,17)",IHHSSHCBRVYGJX-UHFFFAOYSA-N,C14H11ClN2O,258.7,258.0559907,3.4,48.1,302,0,1,3,1,18,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acridine, 3-amino-6-(dimethylamino)-2-methyl-, monohydrochloride",5409-37-0,9860722,"6-N,6-N,2-trimethylacridine-3,6-diamine;hydrochloride",CC1=CC2=C(C=C1N)N=C3C=C(C=CC3=C2)N(C)C.Cl,"InChI=1S/C16H17N3.ClH/c1-10-6-12-7-11-4-5-13(19(2)3)8-15(11)18-16(12)9-14(10)17;/h4-9H,17H2,1-3H3;1H",JRMDFAKCPRMZKA-UHFFFAOYSA-N,C16H18ClN3,287.79,287.1189253,,42.2,317,0,2,3,1,20,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acridine, 9-amino-2-ethoxy-6-nitro-",20304-70-5,30102,2-ethoxy-6-nitroacridin-9-amine,CCOC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)N,"InChI=1S/C15H13N3O3/c1-2-21-10-4-6-13-12(8-10)15(16)11-5-3-9(18(19)20)7-14(11)17-13/h3-8H,2H2,1H3,(H2,16,17)",NDKYICANXPTKKC-UHFFFAOYSA-N,C15H13N3O3,283.28,283.0956913,3,94,387,0,1,5,2,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
QUINACRINE DIHYDROCHLORIDE,000069-05-6,6239,"4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;dihydrochloride",CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.Cl.Cl,"InChI=1S/C23H30ClN3O.2ClH/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23;;/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26);2*1H",UDKVBVICMUEIKS-UHFFFAOYSA-N,C23H32Cl3N3O,472.9,471.161096,,37.4,461,0,3,4,9,30,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acridine, 6-chloro-9-((4-(diethylamino)-1-methylbutyl)amino)-2-methoxy-",000083-89-6,237,"4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine",CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC,"InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)",GPKJTRJOBQGKQK-UHFFFAOYSA-N,C23H30ClN3O,400,399.2077403,6,37.4,461,0,1,4,9,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acridine, 3,6-diamino-, sulfate (1:1)",553-30-0,11111,"acridine-3,6-diamine;sulfuric acid",C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.OS(=O)(=O)O,"InChI=1S/C13H11N3.H2O4S/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;1-5(2,3)4/h1-7H,14-15H2;(H2,1,2,3,4)",WSFHCKWLECYVBS-UHFFFAOYSA-N,C13H13N3O4S,307.33,307.0626771,,148,313,0,4,7,0,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DEXTROPROPOXYPHENE , BULK (NON-DOSAGE FORMS) PROPOXYPHENE",000469-62-5,10100,"[(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate",CCC(=O)O[C@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@H](C)CN(C)C,"InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22+/m1/s1",XLMALTXPSGQGBX-GCJKJVERSA-N,C22H29NO2,339.5,339.2198292,4.2,29.5,397,0,0,3,9,25,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DEXTROPROPOXYPHENE HYDROCHLORIDE,001639-60-7,15424,"[(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate;hydrochloride",CCC(=O)O[C@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@H](C)CN(C)C.Cl,"InChI=1S/C22H29NO2.ClH/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;/h6-15,18H,5,16-17H2,1-4H3;1H/t18-,22+;/m1./s1",QMQBBUPJKANITL-MYXGOWFTSA-N,C22H30ClNO2,375.9,375.1965069,,29.5,397,0,1,3,9,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEETHANOL, .ALPHA.-PHENYL-",000614-29-9,94178,"1,2-diphenylethanol",C1=CC=C(C=C1)CC(C2=CC=CC=C2)O,"InChI=1S/C14H14O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14-15H,11H2",GBGXVCNOKWAMIP-UHFFFAOYSA-N,C14H14O,198.26,198.1044651,3,20.2,166,0,1,1,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butanedioic acid, esters, mono(2-(dimethylamino)-1-((2-(2-(3-methoxyphenyl)eth",135159-51-2,444005,4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;hydrochloride,CN(C)CC(COC1=CC=CC=C1CCC2=CC(=CC=C2)OC)OC(=O)CCC(=O)O.Cl,"InChI=1S/C24H31NO6.ClH/c1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3;/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27);1H",POQBIDFFYCYHOB-UHFFFAOYSA-N,C24H32ClNO6,466,465.1918154,,85.3,540,0,2,7,14,32,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,4-HEXANEDIOL, 3,4-BIS(4-HYDROXYPHENYL)-",007507-01-9,94341,"3,4-bis(4-hydroxyphenyl)hexane-3,4-diol",CCC(C1=CC=C(C=C1)O)(C(CC)(C2=CC=C(C=C2)O)O)O,"InChI=1S/C18H22O4/c1-3-17(21,13-5-9-15(19)10-6-13)18(22,4-2)14-7-11-16(20)12-8-14/h5-12,19-22H,3-4H2,1-2H3",MOGCNGHSEICQCE-UHFFFAOYSA-N,C18H22O4,302.4,302.1518092,2.6,80.9,311,0,4,4,5,22,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-ETHYLENEDIANILINE",000621-95-4,12138,4-[2-(4-aminophenyl)ethyl]aniline,C1=CC(=CC=C1CCC2=CC=C(C=C2)N)N,"InChI=1S/C14H16N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,1-2,15-16H2",UHNUHZHQLCGZDA-UHFFFAOYSA-N,C14H16N2,212.29,212.1313485,1.9,52,167,0,2,2,3,16,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"MESO-1,2-DIPHENYLETHYLENEDIANIME",000951-87-1,6931234,"(1R,2S)-1,2-diphenylethane-1,2-diamine",C1=CC=C(C=C1)[C@H]([C@H](C2=CC=CC=C2)N)N,"InChI=1S/C14H16N2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H,15-16H2/t13-,14+",PONXTPCRRASWKW-OKILXGFUSA-N,C14H16N2,212.29,212.1313485,1.4,52,171,0,2,2,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1S,2S)-(-)-1,2-DIPHENYLETHYLENEDIAMINE",029841-69-8,6931238,"(1S,2S)-1,2-diphenylethane-1,2-diamine",C1=CC=C(C=C1)[C@@H]([C@H](C2=CC=CC=C2)N)N,"InChI=1S/C14H16N2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H,15-16H2/t13-,14-/m0/s1",PONXTPCRRASWKW-KBPBESRZSA-N,C14H16N2,212.29,212.1313485,1.4,52,171,0,2,2,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2'-DIMETHYL-4,4'-DINITROBIBENZYL",087517-98-4,5143407,2-methyl-1-[2-(2-methyl-4-nitrophenyl)ethyl]-4-nitrobenzene,CC1=C(C=CC(=C1)[N+](=O)[O-])CCC2=C(C=C(C=C2)[N+](=O)[O-])C,"InChI=1S/C16H16N2O4/c1-11-9-15(17(19)20)7-5-13(11)3-4-14-6-8-16(18(21)22)10-12(14)2/h5-10H,3-4H2,1-2H3",DUSWUNUUPHBELH-UHFFFAOYSA-N,C16H16N2O4,300.31,300.111007,4.5,91.6,366,0,0,4,3,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
HEXESTROL,000084-16-2,192197,"4-[(3S,4R)-4-(4-hydroxyphenyl)hexan-3-yl]phenol",CC[C@H](C1=CC=C(C=C1)O)[C@@H](CC)C2=CC=C(C=C2)O,"InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/t17-,18+",PBBGSZCBWVPOOL-HDICACEKSA-N,C18H22O2,270.4,270.1619799,5.2,40.5,235,0,2,2,5,20,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BIBENZYL,000103-29-7,7647,2-phenylethylbenzene,C1=CC=C(C=C1)CCC2=CC=CC=C2,"InChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2",QWUWMCYKGHVNAV-UHFFFAOYSA-N,C14H14,182.26,182.1095504,4.8,0,120,0,0,0,3,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Bibenzyl, 4,4'-dimethyl-",538-39-6,10854,1-methyl-4-[2-(4-methylphenyl)ethyl]benzene,CC1=CC=C(C=C1)CCC2=CC=C(C=C2)C,"InChI=1S/C16H18/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3",XCCQFUHBIRHLQT-UHFFFAOYSA-N,C16H18,210.31,210.1408506,4.9,0,158,0,0,0,3,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hydrocinnamic acid, 3,5-diiodo-4-hydroxy-alpha-phenyl-",577-91-3,11350,"3-(4-hydroxy-3,5-diiodophenyl)-2-phenylpropanoic acid",C1=CC=C(C=C1)C(CC2=CC(=C(C(=C2)I)O)I)C(=O)O,"InChI=1S/C15H12I2O3/c16-12-7-9(8-13(17)14(12)18)6-11(15(19)20)10-4-2-1-3-5-10/h1-5,7-8,11,18H,6H2,(H,19,20)",IKYIXZSIKOYSLD-UHFFFAOYSA-N,C15H12I2O3,494.06,493.88759,4.3,57.5,319,0,2,3,4,20,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetophenone, 4',4'''-ethylenedi-",793-06-6,13100,1-[4-[2-(4-acetylphenyl)ethyl]phenyl]ethanone,CC(=O)C1=CC=C(C=C1)CCC2=CC=C(C=C2)C(=O)C,"InChI=1S/C18H18O2/c1-13(19)17-9-5-15(6-10-17)3-4-16-7-11-18(12-8-16)14(2)20/h5-12H,3-4H2,1-2H3",ZSLCVLSXAOHWBQ-UHFFFAOYSA-N,C18H18O2,266.3,266.1306798,3.5,34.1,297,0,0,2,5,20,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propionitrile, 3,3-diphenyl-",3333-14-0,95296,"2,3-diphenylpropanenitrile",C1=CC=C(C=C1)CC(C#N)C2=CC=CC=C2,"InChI=1S/C15H13N/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,15H,11H2",DRONDEZXOJEUGU-UHFFFAOYSA-N,C15H13N,207.27,207.1047994,3.6,23.8,237,0,0,1,3,16,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Bibenzyl, 2,2'-dinitro-",16968-19-7,28168,1-nitro-2-[2-(2-nitrophenyl)ethyl]benzene,C1=CC=C(C(=C1)CCC2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C14H12N2O4/c17-15(18)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(19)20/h1-8H,9-10H2",YBOZRPPSBVIHGJ-UHFFFAOYSA-N,C14H12N2O4,272.26,272.0797069,3.8,91.6,316,0,0,4,3,20,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, alpha-phenyl-, hydrochloride",24301-89-1,91161,"1,2-diphenylethanamine;hydrochloride",C1=CC=C(C=C1)CC(C2=CC=CC=C2)N.Cl,"InChI=1S/C14H15N.ClH/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;/h1-10,14H,11,15H2;1H",HIRAKLKRABLDCV-UHFFFAOYSA-N,C14H16ClN,233.73,233.0971272,,26,166,0,2,1,3,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, alpha-phenyl-",25611-78-3,26482,"1,2-diphenylethanamine",C1=CC=C(C=C1)CC(C2=CC=CC=C2)N,"InChI=1S/C14H15N/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11,15H2",DTGGNTMERRTPLR-UHFFFAOYSA-N,C14H15N,197.27,197.1204495,2.8,26,166,0,1,1,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethane, ditolyl-",27755-15-3,20735,3-phenylbutan-2-ylbenzene,CC(C1=CC=CC=C1)C(C)C2=CC=CC=C2,"InChI=1S/C16H18/c1-13(15-9-5-3-6-10-15)14(2)16-11-7-4-8-12-16/h3-14H,1-2H3",NGCFVIRRWORSML-UHFFFAOYSA-N,C16H18,210.31,210.1408506,4.8,0,162,0,0,0,3,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenylalanine, alpha-phenyl-",56594-95-7,3044031,"(2R)-2-amino-2,3-diphenylpropanoic acid",C1=CC=C(C=C1)C[C@@](C2=CC=CC=C2)(C(=O)O)N,"InChI=1S/C15H15NO2/c16-15(14(17)18,13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11,16H2,(H,17,18)/t15-/m1/s1",YMCRTUKBQGPJNL-OAHLLOKOSA-N,C15H15NO2,241.28,241.1102787,0.1,63.3,280,0,2,3,4,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, 4-chloro-alpha-(p-chlorophenyl)-, hydrochloride, hemihydrate",68968-03-6,3052528,"1,2-bis(4-chlorophenyl)ethanamine;hydrochloride",C1=CC(=CC=C1CC(C2=CC=C(C=C2)Cl)N)Cl.Cl,"InChI=1S/C14H13Cl2N.ClH/c15-12-5-1-10(2-6-12)9-14(17)11-3-7-13(16)8-4-11;/h1-8,14H,9,17H2;1H",QEDSEJAUDQMDFM-UHFFFAOYSA-N,C14H14Cl3N,302.6,301.019183,,26,218,0,2,1,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenethylamine, 4-chloro-N-phenyl-, hydrochloride",69134-42-5,3052629,2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride,C1=CC=C(C=C1)C(CC2=CC=C(C=C2)Cl)N.Cl,"InChI=1S/C14H14ClN.ClH/c15-13-8-6-11(7-9-13)10-14(16)12-4-2-1-3-5-12;/h1-9,14H,10,16H2;1H",VWGCJYLRMVCORO-UHFFFAOYSA-N,C14H15Cl2N,268.2,267.0581549,,26,193,0,2,1,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, 2-amino-N-(1-methyl-1,2-diphenylethyl)-, monohydrochloride, (+-)-",111686-79-4,60510,"2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;hydrochloride",CC(CC1=CC=CC=C1)(C2=CC=CC=C2)NC(=O)CN.Cl,"InChI=1S/C17H20N2O.ClH/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14;/h2-11H,12-13,18H2,1H3,(H,19,20);1H",HYQMIUSWZXGTCC-UHFFFAOYSA-N,C17H21ClN2O,304.8,304.134241,,55.1,306,0,3,2,5,21,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,3-DIMETHYL-2,3-DIPHENYLBUTANE",001889-67-4,74681,"(2,3-dimethyl-3-phenylbutan-2-yl)benzene",CC(C)(C1=CC=CC=C1)C(C)(C)C2=CC=CC=C2,"InChI=1S/C18H22/c1-17(2,15-11-7-5-8-12-15)18(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3",HGTUJZTUQFXBIH-UHFFFAOYSA-N,C18H22,238.4,238.1721507,5.9,0,221,0,0,0,3,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Butyronitrile, 2-benzyl-3-oxo-2-phenyl-",73747-26-9,52345,2-benzyl-3-oxo-2-phenylbutanenitrile,CC(=O)C(CC1=CC=CC=C1)(C#N)C2=CC=CC=C2,"InChI=1S/C17H15NO/c1-14(19)17(13-18,16-10-6-3-7-11-16)12-15-8-4-2-5-9-15/h2-11H,12H2,1H3",NJQKSQKWNYLCIL-UHFFFAOYSA-N,C17H15NO,249.31,249.1153641,3.3,40.9,355,0,0,2,4,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONAMIDE, 5-AMINO-2-METHYL-N-PHENYL-",000079-72-1,66235,5-amino-2-methyl-N-phenylbenzenesulfonamide,CC1=C(C=C(C=C1)N)S(=O)(=O)NC2=CC=CC=C2,"InChI=1S/C13H14N2O2S/c1-10-7-8-11(14)9-13(10)18(16,17)15-12-5-3-2-4-6-12/h2-9,15H,14H2,1H3",HCAKHJQTCPZXPR-UHFFFAOYSA-N,C13H14N2O2S,262.33,262.0775989,2.1,80.6,358,0,2,4,3,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONAMIDE, 3-AMINO-N-PHENYL-",000080-21-7,66454,3-amino-N-phenylbenzenesulfonamide,C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)N,"InChI=1S/C12H12N2O2S/c13-10-5-4-8-12(9-10)17(15,16)14-11-6-2-1-3-7-11/h1-9,14H,13H2",SOZFVONLAQIHRF-UHFFFAOYSA-N,C12H12N2O2S,248.3,248.0619488,1.9,80.6,331,0,2,4,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-[[(3-AMINO-4-HYDROXYPHENYL)SULFONYL]AMINO]-",000091-35-0,4294,2-[(3-amino-4-hydroxyphenyl)sulfonylamino]benzoic acid,C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)O)N,"InChI=1S/C13H12N2O5S/c14-10-7-8(5-6-12(10)16)21(19,20)15-11-4-2-1-3-9(11)13(17)18/h1-7,15-16H,14H2,(H,17,18)",ISDVREGLMJJFJG-UHFFFAOYSA-N,C13H12N2O5S,308.31,308.0466927,1.5,138,475,0,4,7,4,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONAMIDE, N-(4-CHLOROPHENYL)-4-METHYL-",002903-34-6,76182,N-(4-chlorophenyl)-4-methylbenzenesulfonamide,CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)Cl,"InChI=1S/C13H12ClNO2S/c1-10-2-8-13(9-3-10)18(16,17)15-12-6-4-11(14)5-7-12/h2-9,15H,1H3",DOPAQNXFOIXWPI-UHFFFAOYSA-N,C13H12ClNO2S,281.76,281.0277275,3.4,54.6,350,0,1,3,3,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONAMIDE, N-(2-AMINOPHENYL)-4-METHYL-",003624-90-6,77180,N-(2-aminophenyl)-4-methylbenzenesulfonamide,CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2N,"InChI=1S/C13H14N2O2S/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14/h2-9,15H,14H2,1H3",AQUNQTJQZYZXMR-UHFFFAOYSA-N,C13H14N2O2S,262.33,262.0775989,1.7,80.6,356,0,2,4,3,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONAMIDE, N-(4-HYDROXYPHENYL)-",005471-90-9,79622,N-(4-hydroxyphenyl)benzenesulfonamide,C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)O,"InChI=1S/C12H11NO3S/c14-11-8-6-10(7-9-11)13-17(15,16)12-4-2-1-3-5-12/h1-9,13-14H",WHZPMLXZOSFAKY-UHFFFAOYSA-N,C12H11NO3S,249.29,249.0459644,1.9,74.8,322,0,2,4,3,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONAMIDE, 4-AMINO-2,5-DIMETHOXY-N-PHENYL-",052298-44-9,104143,"4-amino-2,5-dimethoxy-N-phenylbenzenesulfonamide",COC1=CC(=C(C=C1N)OC)S(=O)(=O)NC2=CC=CC=C2,"InChI=1S/C14H16N2O4S/c1-19-12-9-14(13(20-2)8-11(12)15)21(17,18)16-10-6-4-3-5-7-10/h3-9,16H,15H2,1-2H3",NFYQAEPHDGXJSY-UHFFFAOYSA-N,C14H16N2O4S,308.35,308.0830782,1.7,99,417,0,2,6,5,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 2-[[(4-CHLORO-3-NITROPHENYL)SULFONYL]AMINO]-",068003-38-3,106350,2-[(4-chloro-3-nitrophenyl)sulfonylamino]benzoic acid,C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-],"InChI=1S/C13H9ClN2O6S/c14-10-6-5-8(7-12(10)16(19)20)23(21,22)15-11-4-2-1-3-9(11)13(17)18/h1-7,15H,(H,17,18)",NJTHPOSQGFJTDP-UHFFFAOYSA-N,C13H9ClN2O6S,356.74,355.9869849,3,138,558,0,2,7,4,23,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONAMIDE, 5-AMINO-2-CHLORO-N-(2,4-DIMETHYLPHENYL)-",071215-81-1,117071,"5-amino-2-chloro-N-(2,4-dimethylphenyl)benzenesulfonamide",CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)N)Cl)C,"InChI=1S/C14H15ClN2O2S/c1-9-3-6-13(10(2)7-9)17-20(18,19)14-8-11(16)4-5-12(14)15/h3-8,17H,16H2,1-2H3",SOWYLSRVTBKKJE-UHFFFAOYSA-N,C14H15ClN2O2S,310.8,310.0542766,3.1,80.6,423,0,2,4,3,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONAMIDE, 2-AMINO-N-ETHYL-N-PHENYL-",000081-10-7,66472,2-amino-N-ethyl-N-phenylbenzenesulfonamide,CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2N,"InChI=1S/C14H16N2O2S/c1-2-16(12-8-4-3-5-9-12)19(17,18)14-11-7-6-10-13(14)15/h3-11H,2,15H2,1H3",OXZNTECZWGFYMM-UHFFFAOYSA-N,C14H16N2O2S,276.36,276.0932489,2.9,71.8,371,0,1,4,4,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHOSPHOLIPASE,009013-93-8,761523,"2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide",CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC(=C2)C(F)(F)F)C,"InChI=1S/C16H16F3NO2S/c1-10-7-11(2)15(12(3)8-10)23(21,22)20-14-6-4-5-13(9-14)16(17,18)19/h4-9,20H,1-3H3",ZIIUUSVHCHPIQD-UHFFFAOYSA-N,C16H16F3NO2S,343.4,343.0853844,4.4,54.6,488,0,1,6,3,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONAMIDE, 5-AMINO-N-ETHYL-2-METHYL-N-PHENYL-",051123-09-2,96649,5-amino-N-ethyl-2-methyl-N-phenylbenzenesulfonamide,CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)N)C,"InChI=1S/C15H18N2O2S/c1-3-17(14-7-5-4-6-8-14)20(18,19)15-11-13(16)10-9-12(15)2/h4-11H,3,16H2,1-2H3",ZAXMFSSGOARPBM-UHFFFAOYSA-N,C15H18N2O2S,290.4,290.108899,2.7,71.8,399,0,1,4,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONAMIDE, N-PHENYL-N-[(TRICHLOROMETHYL)THIO]-",002280-49-1,75290,N-phenyl-N-(trichloromethylsulfanyl)benzenesulfonamide,C1=CC=C(C=C1)N(SC(Cl)(Cl)Cl)S(=O)(=O)C2=CC=CC=C2,"InChI=1S/C13H10Cl3NO2S2/c14-13(15,16)20-17(11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12/h1-10H",CAXJFBOSFXRPOJ-UHFFFAOYSA-N,C13H10Cl3NO2S2,382.7,380.921854,5,71.1,422,0,0,4,4,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
AMBERLITE IR 120,078922-04-0,8190984,3-[(3-chlorophenyl)sulfonylamino]benzoic acid,C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=CC=C2)Cl)C(=O)O,"InChI=1S/C13H10ClNO4S/c14-10-4-2-6-12(8-10)20(18,19)15-11-5-1-3-9(7-11)13(16)17/h1-8,15H,(H,16,17)",APBOVLPLJFJSRI-UHFFFAOYSA-N,C13H10ClNO4S,311.74,311.0019067,2.6,91.9,448,0,2,5,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONAMIDE, 3-AMINO-4-HYDROXY-N-PHENYL-",000080-20-6,66453,3-amino-4-hydroxy-N-phenylbenzenesulfonamide,C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)N,"InChI=1S/C12H12N2O3S/c13-11-8-10(6-7-12(11)15)18(16,17)14-9-4-2-1-3-5-9/h1-8,14-15H,13H2",IAOZVUUQCPRLOI-UHFFFAOYSA-N,C12H12N2O3S,264.3,264.0568634,1.4,101,360,0,3,5,3,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
p-Toluenesulfono-o-toluidide,80-28-4,66457,4-methyl-N-(2-methylphenyl)benzenesulfonamide,CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C,"InChI=1S/C14H15NO2S/c1-11-7-9-13(10-8-11)18(16,17)15-14-6-4-3-5-12(14)2/h3-10,15H,1-2H3",SIPGNSRRMHEOSA-UHFFFAOYSA-N,C14H15NO2S,261.34,261.0823499,3.1,54.6,352,0,1,3,3,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenesulfonamide, 4-fluoro-N-phenyl-",312-52-7,67559,4-fluoro-N-phenylbenzenesulfonamide,C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)F,"InChI=1S/C12H10FNO2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h1-9,14H",LDOCMFAHAVONEI-UHFFFAOYSA-N,C12H10FNO2S,251.28,251.0416279,2.3,54.6,325,0,1,4,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Sulfanilanilide, 4'-fluoro-",1494-85-5,200282,4-amino-N-(4-fluorophenyl)benzenesulfonamide,C1=CC(=CC=C1N)S(=O)(=O)NC2=CC=C(C=C2)F,"InChI=1S/C12H11FN2O2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H,14H2",QYVUQEQLEFFAOW-UHFFFAOYSA-N,C12H11FN2O2S,266.29,266.0525269,2.2,80.6,353,0,2,5,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 2-(((4-methylphenyl)sulfonyl)amino)-",6311-23-5,22763,2-[(4-methylphenyl)sulfonylamino]benzoic acid,CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)O,"InChI=1S/C14H13NO4S/c1-10-6-8-11(9-7-10)20(18,19)15-13-5-3-2-4-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)",ADALGBTXGIISDM-UHFFFAOYSA-N,C14H13NO4S,291.32,291.0565291,2.9,91.9,435,0,2,5,4,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
Benzenesulfono-o-toluidide,18457-86-8,87657,N-(2-methylphenyl)benzenesulfonamide,CC1=CC=CC=C1NS(=O)(=O)C2=CC=CC=C2,"InChI=1S/C13H13NO2S/c1-11-7-5-6-10-13(11)14-17(15,16)12-8-3-2-4-9-12/h2-10,14H,1H3",BIZZAMCVUWYVCZ-UHFFFAOYSA-N,C13H13NO2S,247.31,247.0666998,2.7,54.6,328,0,1,3,3,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2-(((4-chlorophenyl)sulfonyl)amino)-",51012-31-8,362690,2-[(4-chlorophenyl)sulfonylamino]benzoic acid,C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Cl,"InChI=1S/C13H10ClNO4S/c14-9-5-7-10(8-6-9)20(18,19)15-12-4-2-1-3-11(12)13(16)17/h1-8,15H,(H,16,17)",OWHRRXDJMFQNDI-UHFFFAOYSA-N,C13H10ClNO4S,311.74,311.0019067,2.8,91.9,440,0,2,5,4,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenesulfonamide, 4-chloro-N-(2-chloro-4-nitrophenyl)-3-(trifluoromethyl)-",106917-52-6,86268,4-chloro-N-(2-chloro-4-nitrophenyl)-3-(trifluoromethyl)benzenesulfonamide,C1=CC(=C(C=C1[N+](=O)[O-])Cl)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F,"InChI=1S/C13H7Cl2F3N2O4S/c14-10-3-2-8(6-9(10)13(16,17)18)25(23,24)19-12-4-1-7(20(21)22)5-11(12)15/h1-6,19H",GNVDAZSPJWCIQZ-UHFFFAOYSA-N,C13H7Cl2F3N2O4S,415.2,413.9455678,4.4,100,594,0,1,8,3,25,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propenamide, N-hydroxy-3-(3-((phenylamino)sulfonyl)phenyl)-",414864-00-9,6918638,(E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide,C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO,"InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+",NCNRHFGMJRPRSK-MDZDMXLPSA-N,C15H14N2O4S,318.3,318.0674281,1.7,104,492,0,3,5,5,22,,,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0
"BENZENESULFONAMIDE, 4-METHYL-N-(4-NITROPHENYL)-",000734-25-8,69772,4-methyl-N-(4-nitrophenyl)benzenesulfonamide,CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C13H12N2O4S/c1-10-2-8-13(9-3-10)20(18,19)14-11-4-6-12(7-5-11)15(16)17/h2-9,14H,1H3",ACOIHAFYVPPSOZ-UHFFFAOYSA-N,C13H12N2O4S,292.31,292.051778,2.6,100,424,0,1,5,3,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2-((phenylsulfonyl)amino)-",34837-67-7,36941,2-(benzenesulfonamido)benzoic acid,C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)O,"InChI=1S/C13H11NO4S/c15-13(16)11-8-4-5-9-12(11)14-19(17,18)10-6-2-1-3-7-10/h1-9,14H,(H,15,16)",KIAHUXDVSURYKM-UHFFFAOYSA-N,C13H11NO4S,277.3,277.040879,2.1,91.9,409,0,2,5,4,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 2-(((4-fluorophenyl)sulfonyl)amino)-",51012-30-7,39853,2-[(4-fluorophenyl)sulfonylamino]benzoic acid,C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)F,"InChI=1S/C13H10FNO4S/c14-9-5-7-10(8-6-9)20(18,19)15-12-4-2-1-3-11(12)13(16)17/h1-8,15H,(H,16,17)",YPVRMONLTQLVQE-UHFFFAOYSA-N,C13H10FNO4S,295.29,295.0314571,2.2,91.9,440,0,2,6,4,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CYCLOBUTANE,000287-23-0,9250,cyclobutane,C1CCC1,InChI=1S/C4H8/c1-2-4-3-1/h1-4H2,PMPVIKIVABFJJI-UHFFFAOYSA-N,C4H8,56.11,56.06260026,2.5,0,8,0,0,0,0,4,BELOW 50 °F Closed Cup,13.08 °C @ 741 MM HG,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CYCLOBUTYLAMINE,002516-34-9,75645,cyclobutanamine,C1CC(C1)N,"InChI=1S/C4H9N/c5-4-2-1-3-4/h4H,1-3,5H2",KZZKOVLJUKWSKX-UHFFFAOYSA-N,C4H9N,71.12,71.07349929,0.2,26,30,0,1,1,0,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"1,1,2,2,3,4-HEXAFLUORO-3,4-BIS(TRIFLUOROMETHYL)CYCLOBUTANE",002994-71-0,92944,"1,1,2,2,3,4-hexafluoro-3,4-bis(trifluoromethyl)cyclobutane",C1(C(C(C1(F)F)(F)F)(C(F)(F)F)F)(C(F)(F)F)F,"InChI=1S/C6F12/c7-1(5(13,14)15)2(8,6(16,17)18)4(11,12)3(1,9)10",RBTROQHBNLSUTL-UHFFFAOYSA-N,C6F12,300.04,299.9808379,4,0,326,0,0,12,0,18,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
BROMOCYCLOBUTANE,004399-47-7,78110,bromocyclobutane,C1CC(C1)Br,"InChI=1S/C4H7Br/c5-4-2-1-3-4/h4H,1-3H2",KXVUSQIDCZRUKF-UHFFFAOYSA-N,C4H7Br,135,133.97311,1.9,0,30,0,0,0,0,5,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,3-CYCLOBUTANEDIAMINE, 2,2,4,4-TETRAMETHYL-",007531-10-4,24152,"2,2,4,4-tetramethylcyclobutane-1,3-diamine",CC1(C(C(C1N)(C)C)N)C,"InChI=1S/C8H18N2/c1-7(2)5(9)8(3,4)6(7)10/h5-6H,9-10H2,1-4H3",QWEVGNOJPHTVEY-UHFFFAOYSA-N,C8H18N2,142.24,142.1469986,0.6,52,115,0,2,2,0,10,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
"2,2,4,4-TETRAMETHYL-1,3-CYCLOBUTANEDIOL",003010-96-6,76382,"2,2,4,4-tetramethylcyclobutane-1,3-diol",CC1(C(C(C1O)(C)C)O)C,"InChI=1S/C8H16O2/c1-7(2)5(9)8(3,4)6(7)10/h5-6,9-10H,1-4H3",FQXGHZNSUOHCLO-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,1.1,40.5,115,0,2,2,0,10,,,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
OCTAFLUOROCYCLOBUTANE,000115-25-3,8263,"1,1,2,2,3,3,4,4-octafluorocyclobutane",C1(C(C(C1(F)F)(F)F)(F)F)(F)F,"InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10",BCCOBQSFUDVTJQ-UHFFFAOYSA-N,C4F8,200.03,199.9872253,1.6,0,151,0,0,8,0,12,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CARBOPLATIN,041575-94-4,10339178,"azane;cyclobutane-1,1-dicarboxylate;platinum(2+)",C1CC(C1)(C(=O)[O-])C(=O)[O-].N.N.[Pt+2],"InChI=1S/C6H8O4.2H3N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H3;/q;;;+2/p-2",OLESAACUTLOWQZ-UHFFFAOYSA-L,C6H12N2O4Pt,371.25,371.044501,,82.3,153,0,2,6,0,13,,,0,1,1,1,0,1,0,1,0,0,1,0,0,1,1,0,0,1,0,0
"1,1-CYCLOBUTANEDICARBOXYLIC ACID",005445-51-2,2568,"cyclobutane-1,1-dicarboxylic acid",C1CC(C1)(C(=O)O)C(=O)O,"InChI=1S/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10)",CCQPAEQGAVNNIA-UHFFFAOYSA-N,C6H8O4,144.12,144.0422587,0.4,74.6,164,0,2,4,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ETHYL 1-BROMOCYCLOBUTANECARBOXYLATE,035120-18-4,97595,ethyl 1-bromocyclobutane-1-carboxylate,CCOC(=O)C1(CCC1)Br,"InChI=1S/C7H11BrO2/c1-2-10-6(9)7(8)4-3-5-7/h2-5H2,1H3",UTVNSHXHFRIXMM-UHFFFAOYSA-N,C7H11BrO2,207.06,205.99424,2,26.3,141,0,0,2,3,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,2-DICHLORO-1,2,3,3,4,4-HEXAFLUOROCYCLOBUTANE",000356-18-3,9643,"1,2-dichloro-1,2,3,3,4,4-hexafluorocyclobutane",C1(C(C(C1(F)Cl)(F)Cl)(F)F)(F)F,"InChI=1S/C4Cl2F6/c5-1(7)2(6,8)4(11,12)3(1,9)10",LMHAGAHDHRQIMB-UHFFFAOYSA-N,C4Cl2F6,232.94,231.9281244,3.2,0,206,0,0,6,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclobutaneacetic acid, 3-acetyl-2,2-dimethyl-",473-72-3,10130,"2-(3-acetyl-2,2-dimethylcyclobutyl)acetic acid",CC(=O)C1CC(C1(C)C)CC(=O)O,"InChI=1S/C10H16O3/c1-6(11)8-4-7(5-9(12)13)10(8,2)3/h7-8H,4-5H2,1-3H3,(H,12,13)",SIZDUQQDBXJXLQ-UHFFFAOYSA-N,C10H16O3,184.23,184.1099444,1,54.4,243,0,1,3,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclobutaneacetic acid, 3-carboxy-2,2-dimethyl-",473-73-4,10131,"3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid",CC1(C(CC1C(=O)O)CC(=O)O)C,"InChI=1S/C9H14O4/c1-9(2)5(4-7(10)11)3-6(9)8(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)",LEVONNIFUFSRKZ-UHFFFAOYSA-N,C9H14O4,186.2,186.0892089,0.8,74.6,244,0,2,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-Cyclobutanedicarboxylic acid, (E)-",1124-13-6,10888028,"trans-(1R,2R)-cyclobutane-1,2-dicarboxylic acid",C1C[C@H]([C@@H]1C(=O)O)C(=O)O,"InChI=1S/C6H8O4/c7-5(8)3-1-2-4(3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)/t3-,4-/m1/s1",SUSAGCZZQKACKE-QWWZWVQMSA-N,C6H8O4,144.12,144.0422587,-0.2,74.6,155,0,2,4,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-Cyclobutanedicarbonitrile, trans-",3211-20-9,6951362,"trans-(1R,2R)-cyclobutane-1,2-dicarbonitrile",C1C[C@H]([C@@H]1C#N)C#N,"InChI=1S/C6H6N2/c7-3-5-1-2-6(5)4-8/h5-6H,1-2H2/t5-,6-/m0/s1",CZPLUOCTUPJSIZ-WDSKDSINSA-N,C6H6N2,106.13,106.0530982,0.2,47.6,155,0,0,2,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclobutanecarboxylic acid, 1-amino-",22264-50-2,89643,1-aminocyclobutane-1-carboxylic acid,C1CC(C1)(C(=O)O)N,"InChI=1S/C5H9NO2/c6-5(4(7)8)2-1-3-5/h1-3,6H2,(H,7,8)",FVTVMQPGKVHSEY-UHFFFAOYSA-N,C5H9NO2,115.13,115.0633285,-2.9,63.3,118,0,2,3,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclobutanecarboxylic acid, 3,3-dimethyl-",34970-18-8,215106,"3,3-dimethylcyclobutane-1-carboxylic acid",CC1(CC(C1)C(=O)O)C,"InChI=1S/C7H12O2/c1-7(2)3-5(4-7)6(8)9/h5H,3-4H2,1-2H3,(H,8,9)",UWOAWSLEKWLDNR-UHFFFAOYSA-N,C7H12O2,128.17,128.0837296,1.4,37.3,130,0,1,2,1,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclobutanecarboxylic acid, 3,3-diethyl-",66016-24-8,47804,"3,3-diethylcyclobutane-1-carboxylic acid",CCC1(CC(C1)C(=O)O)CC,"InChI=1S/C9H16O2/c1-3-9(4-2)5-7(6-9)8(10)11/h7H,3-6H2,1-2H3,(H,10,11)",XAOPKUQAMUWBSO-UHFFFAOYSA-N,C9H16O2,156.22,156.1150297,2.5,37.3,151,0,1,2,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Cyclobutanedicarboxylic acid, 1-amino-, cis-, hydrate",73550-55-7,1214,"1-aminocyclobutane-1,3-dicarboxylic acid",C1C(CC1(C(=O)O)N)C(=O)O,"InChI=1S/C6H9NO4/c7-6(5(10)11)1-3(2-6)4(8)9/h3H,1-2,7H2,(H,8,9)(H,10,11)",GGMYWPBNZXRMME-UHFFFAOYSA-N,C6H9NO4,159.14,159.0531578,-3.5,101,207,0,3,5,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Cyclobutanecarboxamide, N-((1S)-2-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)-1-methylethyl)-3-oxo-",,1274476,cyclobutanecarboxamide,C1CC(C1)C(=O)N,"InChI=1S/C5H9NO/c6-5(7)4-2-1-3-4/h4H,1-3H2,(H2,6,7)",MFNYBOWJWGPXFM-UHFFFAOYSA-N,C5H9NO,99.13,99.06841391,0.1,43.1,86,0,1,1,1,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclobutaneethanol, 1-methyl-2-(1-methylethenyl)-, (1R,2R)-rel-, acetate (ester)",,21441185,2-cyclobutylethanol,C1CC(C1)CCO,"InChI=1S/C6H12O/c7-5-4-6-2-1-3-6/h6-7H,1-5H2",KUARIPXRZDVUJO-UHFFFAOYSA-N,C6H12O,100.16,100.088815,1.6,20.2,48,0,1,1,2,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Cyclobutanecarboxylic acid, 3-ethyl-3-methyl-",66016-23-7,47803,3-ethyl-3-methylcyclobutane-1-carboxylic acid,CCC1(CC(C1)C(=O)O)C,"InChI=1S/C8H14O2/c1-3-8(2)4-6(5-8)7(9)10/h6H,3-5H2,1-2H3,(H,9,10)",PBLPMCDIRWMEMC-UHFFFAOYSA-N,C8H14O2,142.2,142.0993797,2,37.3,145,0,1,2,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclobutanemethanamine, 1-(4-chlorophenyl)-N,N-dimethyl-alpha-(2-methylpropyl)-, monomethanesulfonate, hydrate (2:2:1)",,409746,cyclobutylmethanamine,C1CC(C1)CN,"InChI=1S/C5H11N/c6-4-5-2-1-3-5/h5H,1-4,6H2",LQNHRNOPWKZUSN-UHFFFAOYSA-N,C5H11N,85.15,85.08914936,0.6,26,39,0,1,1,1,6,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
5-VINYL-2-NORBORNENE,003048-64-4,18273,5-ethenylbicyclo[2.2.1]hept-2-ene,C=CC1CC2CC1C=C2,"InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7-9H,1,5-6H2",INYHZQLKOKTDAI-UHFFFAOYSA-N,C9H12,120.19,120.0939004,2.7,0,155,0,0,0,1,9,,,0,0,1,0,1,0,1,1,1,0,0,0,0,0,0,0,1,1,1,0
BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXALDEHYDE,005453-80-5,95117,bicyclo[2.2.1]hept-5-ene-2-carbaldehyde,C1C2CC(C1C=C2)C=O,"InChI=1S/C8H10O/c9-5-8-4-6-1-2-7(8)3-6/h1-2,5-8H,3-4H2",AJIBZRIAUXVGQJ-UHFFFAOYSA-N,C8H10O,122.16,122.0731649,1.1,17.1,160,0,0,1,1,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
BICYCLO(2.2.1)HEPT-5-ENE-2-METHANOL,000095-12-5,78946,2-bicyclo[2.2.1]hept-5-enylmethanol,C1C2CC(C1C=C2)CO,"InChI=1S/C8H12O/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2",LUMNWCHHXDUKFI-UHFFFAOYSA-N,C8H12O,124.18,124.088815,1.2,20.2,140,0,1,1,1,9,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
5-NORBORNENE-2-CARBONITRILE (MIXTURE OF ISOMERS),000095-11-4,7218,bicyclo[2.2.1]hept-5-ene-2-carbonitrile,C1C2CC(C1C=C2)C#N,"InChI=1S/C8H9N/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-4H2",BMAXQTDMWYDIJX-UHFFFAOYSA-N,C8H9N,119.16,119.0734993,1.4,23.8,196,0,0,1,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CIS-5-NORBORNENE-ENDO-2,3-DICARBOXYLIC ACID",003813-52-3,97965,"bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid",C1C2C=CC1C(C2C(=O)O)C(=O)O,"InChI=1S/C9H10O4/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H,10,11)(H,12,13)",NIDNOXCRFUCAKQ-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,0.3,74.6,266,0,2,4,2,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-[2-(TRIMETHOXYSILYL)ETHYL]BICYCLO[2.2.1]HEPT-2-ENE,068323-30-8,91654739,"2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-trimethoxysilane",CO[Si](CCC1C[C@H]2C[C@@H]1C=C2)(OC)OC,"InChI=1S/C12H22O3Si/c1-13-16(14-2,15-3)7-6-12-9-10-4-5-11(12)8-10/h4-5,10-12H,6-9H2,1-3H3/t10-,11+,12?/m1/s1",WLCVNBXWMQMKGJ-UBNQGINQSA-N,C12H22O3Si,242.39,242.1338211,,27.7,255,0,0,3,6,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TRANS-3,6-ENDO-METHYLENE-1,2,3,6-TETRAHYDROPHTHALOYL CHLORIDE",004582-21-2,98325,"bicyclo[2.2.1]hept-5-ene-2,3-dicarbonyl chloride",C1C2C=CC1C(C2C(=O)Cl)C(=O)Cl,"InChI=1S/C9H8Cl2O2/c10-8(12)6-4-1-2-5(3-4)7(6)9(11)13/h1-2,4-7H,3H2",KANQIAARVSWKKG-UHFFFAOYSA-N,C9H8Cl2O2,219.06,217.9901349,2.3,34.1,270,0,0,2,2,13,,,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
5-NORBORNENE-2-CARBOXYLIC ACID,000120-74-1,78949,bicyclo[2.2.1]hept-5-ene-2-carboxylic acid,C1C2CC(C1C=C2)C(=O)O,"InChI=1S/C8H10O2/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,(H,9,10)",FYGUSUBEMUKACF-UHFFFAOYSA-N,C8H10O2,138.16,138.0680796,1.2,37.3,195,0,1,2,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
5-NORBORNEN-2-YL (ETHYL) CHLORODIMETHYLSILANE,120543-78-4,71311221,"2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-chloro-dimethylsilane",C[Si](C)(CCC1C[C@H]2C[C@@H]1C=C2)Cl,"InChI=1S/C11H19ClSi/c1-13(2,12)6-5-11-8-9-3-4-10(11)7-9/h3-4,9-11H,5-8H2,1-2H3/t9-,10+,11?/m1/s1",UFEKKYNQUHJSEC-JKIOLJMWSA-N,C11H19ClSi,214.8,214.0944548,,0,222,0,0,0,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
5-NORBORNENE-2-METHYLAMINE,000095-10-3,247182,2-bicyclo[2.2.1]hept-5-enylmethanamine,C1C2CC(C1C=C2)CN,"InChI=1S/C8H13N/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5,9H2",XLBALIGLOMYEKN-UHFFFAOYSA-N,C8H13N,123.2,123.1047994,1,26,140,0,1,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
BICYCLO[2.2.1]HEPT-5-ENE-2-CARBONYL CHLORIDE,027063-48-5,98233,bicyclo[2.2.1]hept-5-ene-2-carbonyl chloride,C1C2CC(C1C=C2)C(=O)Cl,"InChI=1S/C8H9ClO/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2",HXYXVFUUHSZSNV-UHFFFAOYSA-N,C8H9ClO,156.61,156.0341926,2.2,17.1,197,0,0,1,1,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
EXO-5-NORBORNENE-2-CARBOXYLIC ACID,000934-30-5,721733,"(1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid",C1[C@H]2C[C@H]([C@@H]1C=C2)C(=O)O,"InChI=1S/C8H10O2/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,(H,9,10)/t5-,6+,7+/m0/s1",FYGUSUBEMUKACF-RRKCRQDMSA-N,C8H10O2,138.16,138.0680796,1.2,37.3,195,0,1,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-NORBORNENE-2-EXO,3-EXO-DIMETHANOL",000699-95-6,11862151,"[(1S,2S,3R,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol",C1[C@@H]2C=C[C@H]1[C@@H]([C@@H]2CO)CO,"InChI=1S/C9H14O2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,6-11H,3-5H2/t6-,7+,8+,9-",IGHHPVIMEQGKNE-OJOKCITNSA-N,C9H14O2,154.21,154.0993797,0.4,40.5,158,0,2,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BICYCLO[2.2.1]HEPT-5-ENE-2,2-DIMETHANOL",006707-12-6,110917,[2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol,C1C2CC(C1C=C2)(CO)CO,"InChI=1S/C9H14O2/c10-5-9(6-11)4-7-1-2-8(9)3-7/h1-2,7-8,10-11H,3-6H2",DSHXMENPUICESR-UHFFFAOYSA-N,C9H14O2,154.21,154.0993797,0.4,40.5,182,0,2,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SILANE, BICYCLO[2.2.1]HEPT-5-EN-2-YLTRIETHOXY-",018401-43-9,86718,2-bicyclo[2.2.1]hept-5-enyl(triethoxy)silane,CCO[Si](C1CC2CC1C=C2)(OCC)OCC,"InChI=1S/C13H24O3Si/c1-4-14-17(15-5-2,16-6-3)13-10-11-7-8-12(13)9-11/h7-8,11-13H,4-6,9-10H2,1-3H3",HHKDWDAAEFGBAC-UHFFFAOYSA-N,C13H24O3Si,256.41,256.1494712,,27.7,263,0,0,3,7,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLIC ACID, MONOMETHYL ESTER",036897-94-6,98465,3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid,COC(=O)C1C2CC(C1C(=O)O)C=C2,"InChI=1S/C10H12O4/c1-14-10(13)8-6-3-2-5(4-6)7(8)9(11)12/h2-3,5-8H,4H2,1H3,(H,11,12)",JYZKYCYHXBQTCY-UHFFFAOYSA-N,C10H12O4,196.2,196.0735589,0.7,63.6,307,0,1,4,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXALDEHYDE, 3-PROPYL-",039067-39-5,161993,3-propylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde,CCCC1C2CC(C1C=O)C=C2,"InChI=1S/C11H16O/c1-2-3-10-8-4-5-9(6-8)11(10)7-12/h4-5,7-11H,2-3,6H2,1H3",RPJGEHBYOXRURE-UHFFFAOYSA-N,C11H16O,164.24,164.1201151,2.6,17.1,207,0,0,1,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CHLORENDIC ACID,000115-28-6,8266,"1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid",C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O,"InChI=1S/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)",DJKGDNKYTKCJKD-UHFFFAOYSA-N,C9H4Cl6O4,388.8,387.821125,2,74.6,487,0,2,4,2,19,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BICYCLO[2.2.1]HEPT-5-ENE-2,3-DIMETHANOL, 1,4,5,6,7,7-HEXACHLORO-",002157-19-9,92170,"[1,4,5,6,7,7-hexachloro-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol",C(C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)CO)O,"InChI=1S/C9H8Cl6O2/c10-5-6(11)8(13)4(2-17)3(1-16)7(5,12)9(8,14)15/h3-4,16-17H,1-2H2",GTSJHTSVFKEASK-UHFFFAOYSA-N,C9H8Cl6O2,360.9,359.862596,2.1,40.5,363,0,2,2,2,17,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Norbornene, 1,2,3,4,7,7-hexachloro-5,6-bis(chloromethyl)-",2550-75-6,92043635,"(1R,4S)-1,2,3,4,7,7-hexachloro-5,6-bis(chloromethyl)bicyclo[2.2.1]hept-2-ene",C(C1C([C@@]2(C(=C([C@]1(C2(Cl)Cl)Cl)Cl)Cl)Cl)CCl)Cl,"InChI=1S/C9H6Cl8/c10-1-3-4(2-11)8(15)6(13)5(12)7(3,14)9(8,16)17/h3-4H,1-2H2/t3?,4?,7-,8+",FUZORIOHZSVKAW-WINLOITPSA-N,C9H6Cl8,397.8,397.791872,4.7,0,356,0,0,0,2,17,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-Norbornene-2,3-dicarboxylic acid, dimethyl ester, cis-",5826-73-3,10921747,"dimethyl (1S,2R,3S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate",COC(=O)[C@H]1[C@@H]2C[C@H]([C@H]1C(=O)OC)C=C2,"InChI=1S/C11H14O4/c1-14-10(12)8-6-3-4-7(5-6)9(8)11(13)15-2/h3-4,6-9H,5H2,1-2H3/t6-,7+,8-,9+",VGQLNJWOULYVFV-SPJNRGJMSA-N,C11H14O4,210.23,210.0892089,1,52.6,291,0,0,4,4,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
EXO-5-NORBORNENE-2-METHANOL,013360-81-1,12268642,"[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanol",C1[C@H]2C[C@H]([C@@H]1C=C2)CO,"InChI=1S/C8H12O/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2/t6-,7+,8-/m0/s1",LUMNWCHHXDUKFI-RNJXMRFFSA-N,C8H12O,124.18,124.088815,1.2,20.2,140,0,1,1,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4,5,6,7,7-HEXACHLORO-BICYCLO(2.2.1)HEPT-5-ENE-2,3-DICARBOXYLIC ACID, 2,3-BIS(2-ETHYLHEXYL) ESTER",004827-55-8,95591,"bis(2-ethylhexyl) 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate",CCCCC(CC)COC(=O)C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)OCC(CC)CCCC,"InChI=1S/C25H36Cl6O4/c1-5-9-11-15(7-3)13-34-21(32)17-18(22(33)35-14-16(8-4)12-10-6-2)24(29)20(27)19(26)23(17,28)25(24,30)31/h15-18H,5-14H2,1-4H3",ONIHOIFWLALAQH-UHFFFAOYSA-N,C25H36Cl6O4,613.3,612.071526,9,52.6,741,0,0,4,16,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
FLUOXETINE HYDROCHLORIDE,059333-67-4,62857,N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl,"InChI=1S/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H",GIYXAJPCNFJEHY-UHFFFAOYSA-N,C17H19ClF3NO,345.8,345.1107264,,21.3,308,0,2,5,6,23,,,1,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
"Benzenepropanamine, N-methyl-gamma-(4-(trifluoromethyl)phenoxy)-, (+-)-",054910-89-3,3386,N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine,CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F,"InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3",RTHCYVBBDHJXIQ-UHFFFAOYSA-N,C17H18F3NO,309.33,309.1340487,4,21.3,308,0,1,5,6,22,,395.1°C at 760 mmHg,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
4-BENZYLOXYBENZALDEHYDE,004397-53-9,78109,4-phenylmethoxybenzaldehyde,C1=CC=C(C=C1)COC2=CC=C(C=C2)C=O,"InChI=1S/C14H12O2/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-10H,11H2",ZVTWZSXLLMNMQC-UHFFFAOYSA-N,C14H12O2,212.24,212.0837296,3.3,26.3,201,0,0,2,4,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-(PHENOXYMETHYL)-",000724-98-1,69761,2-(phenoxymethyl)benzoic acid,C1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)O,"InChI=1S/C14H12O3/c15-14(16)13-9-5-4-6-11(13)10-17-12-7-2-1-3-8-12/h1-9H,10H2,(H,15,16)",YKNORODREYVARM-UHFFFAOYSA-N,C14H12O3,228.24,228.0786442,2.9,46.5,246,0,1,3,4,17,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BENZYLOXYBENZYL ALCOHOL,000836-43-1,70043,(4-phenylmethoxyphenyl)methanol,C1=CC=C(C=C1)COC2=CC=C(C=C2)CO,"InChI=1S/C14H14O2/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2",OEBIVOHKFYSBPE-UHFFFAOYSA-N,C14H14O2,214.26,214.0993797,2.4,29.5,179,0,1,2,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZYL PHENYL ETHER,000946-80-5,70352,phenoxymethylbenzene,C1=CC=C(C=C1)COC2=CC=CC=C2,"InChI=1S/C13H12O/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10H,11H2",BOTNYLSAWDQNEX-UHFFFAOYSA-N,C13H12O,184.23,184.088815,3.8,9.2,143,0,0,1,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BENZYLOXYPHENOL,006272-38-4,80459,2-phenylmethoxyphenol,C1=CC=C(C=C1)COC2=CC=CC=C2O,"InChI=1S/C13H12O2/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,14H,10H2",CCZCXFHJMKINPE-UHFFFAOYSA-N,C13H12O2,200.23,200.0837296,2.7,29.5,175,0,1,2,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4'-BENZYLOXYACETOPHENONE,054696-05-8,245226,1-(4-phenylmethoxyphenyl)ethanone,CC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2,"InChI=1S/C15H14O2/c1-12(16)14-7-9-15(10-8-14)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3",MKYMYZJJFMPDOA-UHFFFAOYSA-N,C15H14O2,226.27,226.0993797,3.5,26.3,235,0,0,2,4,17,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4'-(BENZYLOXY)-3'-METHOXYACETOPHENONE,001835-11-6,99215,1-(3-methoxy-4-phenylmethoxyphenyl)ethanone,CC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC,"InChI=1S/C16H16O3/c1-12(17)14-8-9-15(16(10-14)18-2)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3",HRUAWSQBQLYDKH-UHFFFAOYSA-N,C16H16O3,256.3,256.1099444,3,35.5,284,0,0,3,5,19,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzyl alcohol, o-(benzyloxy)-",3381-87-1,18811,(2-phenylmethoxyphenyl)methanol,C1=CC=C(C=C1)COC2=CC=CC=C2CO,"InChI=1S/C14H14O2/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2",XRZMRABYCSOXIZ-UHFFFAOYSA-N,C14H14O2,214.26,214.0993797,1.7,29.5,187,0,1,2,4,16,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzeneethanamine, 3-(phenylmethoxy)-, hydrochloride",29973-97-5,207414,2-(3-phenylmethoxyphenyl)ethanamine;hydrochloride,C1=CC=C(C=C1)COC2=CC=CC(=C2)CCN.Cl,"InChI=1S/C15H17NO.ClH/c16-10-9-13-7-4-8-15(11-13)17-12-14-5-2-1-3-6-14;/h1-8,11H,9-10,12,16H2;1H",MGUCUSVCMVPQMD-UHFFFAOYSA-N,C15H18ClNO,263.76,263.1076919,,35.3,201,0,2,2,5,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, 2-(4-(phenylmethoxy)phenoxy)-",38559-92-1,563696,2-(4-phenylmethoxyphenoxy)acetic acid,C1=CC=C(C=C1)COC2=CC=C(C=C2)OCC(=O)O,"InChI=1S/C15H14O4/c16-15(17)11-19-14-8-6-13(7-9-14)18-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,16,17)",VXMSXBVTUNOSLL-UHFFFAOYSA-N,C15H14O4,258.27,258.0892089,3.4,55.8,265,0,1,4,6,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenepropanamine, gamma-(4-(trifluoromethyl)phenoxy)-, hydrochloride (1:1)",57226-68-3,151371,3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride,C1=CC=C(C=C1)C(CCN)OC2=CC=C(C=C2)C(F)(F)F.Cl,"InChI=1S/C16H16F3NO.ClH/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12;/h1-9,15H,10-11,20H2;1H",GMTWWEPBGGXBTO-UHFFFAOYSA-N,C16H17ClF3NO,331.76,331.0950763,,35.3,294,0,2,5,5,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Benzenepropanamine, N-methyl-gamma-(2-methylphenoxy)-, hydrochloride, (gamma-R)-",82248-59-7,54840,(3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;hydrochloride,CC1=CC=CC=C1O[C@H](CCNC)C2=CC=CC=C2.Cl,"InChI=1S/C17H21NO.ClH/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H/t17-;/m1./s1",LUCXVPAZUDVVBT-UNTBIKODSA-N,C17H22ClNO,291.8,291.138992,,21.3,237,0,2,2,6,20,,,1,1,1,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,1,1
"Benzenepropanamine, N-methyl-gamma-(2-methylphenoxy)-, (gamma-R)-",83015-26-3,54841,(3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine,CC1=CC=CC=C1O[C@H](CCNC)C2=CC=CC=C2,"InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1",VHGCDTVCOLNTBX-QGZVFWFLSA-N,C17H21NO,255.35,255.1623143,3.7,21.3,237,0,1,2,6,19,,64-65 ºC at 0.760 mmHg,0,0,1,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
"Benzeneacetic acid, alpha-(methoxyimino)-2-((2-methylphenoxy)methyl)-, methyl ester, (alpha-E)",143390-89-0,6112114,methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate,CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC,"InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+",ZOTBXTZVPHCKPN-HTXNQAPBSA-N,C18H19NO4,313.3,313.1314081,4.1,57.1,410,0,0,5,7,23,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneacetamide, 2-((2,5-dimethylphenoxy)methyl)-alpha-(methoxyimino)-N-methyl-, (alpha-E)-",149961-52-4,10936292,"(2E)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide",CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2/C(=N\OC)/C(=O)NC,"InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)/b21-18+",WXUZAHCNPWONDH-DYTRJAOYSA-N,C19H22N2O3,326.4,326.1630426,3.9,59.9,438,0,1,4,6,24,,,1,0,1,0,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Carbamimidothioic acid, 2-(4-((4-nitrophenyl)methoxy)phenyl)ethyl ester, monomethanesulfonate",182004-65-5,9823846,methanesulfonic acid;2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl carbamimidothioate,CS(=O)(=O)O.C1=CC(=CC=C1CCSC(=N)N)OCC2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C16H17N3O3S.CH4O3S/c17-16(18)23-10-9-12-3-7-15(8-4-12)22-11-13-1-5-14(6-2-13)19(20)21;1-5(2,3)4/h1-8H,9-11H2,(H3,17,18);1H3,(H,2,3,4)",WGIKEBHIKKWJLG-UHFFFAOYSA-N,C17H21N3O6S2,427.5,427.0871778,,193,479,0,3,8,7,28,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-(PHENYLMETHOXY)BENZOIC ACID,001486-51-7,73880,4-phenylmethoxybenzoic acid,C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)O,"InChI=1S/C14H12O3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)",AQSCHALQLXXKKC-UHFFFAOYSA-N,C14H12O3,228.24,228.0786442,3.3,46.5,238,0,1,3,4,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(BENZYLOXY)PHENOL,000103-16-2,7638,4-phenylmethoxyphenol,C1=CC=C(C=C1)COC2=CC=C(C=C2)O,"InChI=1S/C13H12O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2",VYQNWZOUAUKGHI-UHFFFAOYSA-N,C13H12O2,200.23,200.0837296,3.4,29.5,167,0,1,2,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Benzenepropanamine, N-methyl-gamma-(4-(trifluoromethyl)phenoxy)-, (gamma-R)-, hydrochloride",114247-09-5,9798284,(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride,CNCC[C@H](C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl,"InChI=1S/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H/t16-;/m1./s1",GIYXAJPCNFJEHY-PKLMIRHRSA-N,C17H19ClF3NO,345.8,345.1107264,,21.3,308,0,2,5,6,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TRAMADOL HYDROCHLORIDE,036282-47-0,63013,"cis-(1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride",CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O.Cl,"InChI=1S/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t14-,16+;/m1./s1",PPKXEPBICJTCRU-XMZRARIVSA-N,C16H26ClNO2,299.83,299.1652068,,32.7,282,0,2,3,4,20,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-CYCLOHEXYL-4,6-DINITROPHENOL",000131-89-5,8540,"2-cyclohexyl-4,6-dinitrophenol",C1CCC(CC1)C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O,"InChI=1S/C12H14N2O5/c15-12-10(8-4-2-1-3-5-8)6-9(13(16)17)7-11(12)14(18)19/h6-8,15H,1-5H2",QJYHUJAGJUHXJN-UHFFFAOYSA-N,C12H14N2O5,266.25,266.0902716,4.3,112,345,0,1,5,1,19,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZONITRILE, 4-(4-PROPYLCYCLOHEXYL)-, TRANS-",061203-99-4,109061,4-(4-propylcyclohexyl)benzonitrile,CCCC1CCC(CC1)C2=CC=C(C=C2)C#N,"InChI=1S/C16H21N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h6-7,10-11,13,15H,2-5,8-9H2,1H3",XXUSEPRYHRDKFV-UHFFFAOYSA-N,C16H21N,227.34,227.1673997,5.5,23.8,258,0,0,1,3,17,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZONITRILE, 4-(4-BUTYLCYCLOHEXYL)-, TRANS-",061204-00-0,109062,4-(4-butylcyclohexyl)benzonitrile,CCCCC1CCC(CC1)C2=CC=C(C=C2)C#N,"InChI=1S/C17H23N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h7-8,11-12,14,16H,2-6,9-10H2,1H3",YYAVXASAKUOZJJ-UHFFFAOYSA-N,C17H23N,241.37,241.1830497,6.1,23.8,271,0,0,1,4,18,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
1-(TRANS-4-HEXYLCYCLOHEXYL)-4-ISOTHIOCYANATOBENZENE,092444-14-9,3451472,1-(4-hexylcyclohexyl)-4-isothiocyanatobenzene,CCCCCCC1CCC(CC1)C2=CC=C(C=C2)N=C=S,"InChI=1S/C19H27NS/c1-2-3-4-5-6-16-7-9-17(10-8-16)18-11-13-19(14-12-18)20-15-21/h11-14,16-17H,2-10H2,1H3",STLICVZWECVJDT-UHFFFAOYSA-N,C19H27NS,301.5,301.186421,8.8,44.5,318,0,0,2,7,21,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2-CYCLOHEXYL-",000119-42-6,8396,2-cyclohexylphenol,C1CCC(CC1)C2=CC=CC=C2O,"InChI=1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2",MVRPPTGLVPEMPI-UHFFFAOYSA-N,C12H16O,176.25,176.1201151,4.1,20.2,149,0,1,1,1,13,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 4-CYCLOHEXYL-",001131-60-8,14327,4-cyclohexylphenol,C1CCC(CC1)C2=CC=C(C=C2)O,"InChI=1S/C12H16O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10,13H,1-5H2",OAHMVZYHIJQTQC-UHFFFAOYSA-N,C12H16O,176.25,176.1201151,4.2,20.2,141,0,1,1,1,13,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2,4-DIMETHYL-6-(1-METHYLCYCLOHEXYL)-",000077-61-2,6485,"2,4-dimethyl-6-(1-methylcyclohexyl)phenol",CC1=CC(=C(C(=C1)C2(CCCCC2)C)O)C,"InChI=1S/C15H22O/c1-11-9-12(2)14(16)13(10-11)15(3)7-5-4-6-8-15/h9-10,16H,4-8H2,1-3H3",MXSKJYLPNPYQHH-UHFFFAOYSA-N,C15H22O,218.33,218.1670653,5.4,20.2,230,0,1,1,1,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"PHENOL, 4-METHYL-2-(1-METHYLCYCLOHEXYL)-",016152-65-1,85304,4-methyl-2-(1-methylcyclohexyl)phenol,CC1=CC(=C(C=C1)O)C2(CCCCC2)C,"InChI=1S/C14H20O/c1-11-6-7-13(15)12(10-11)14(2)8-4-3-5-9-14/h6-7,10,15H,3-5,8-9H2,1-2H3",MQVDCVRWVSDQNN-UHFFFAOYSA-N,C14H20O,204.31,204.1514153,5,20.2,205,0,1,1,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"BENZONITRILE, 4-(4-PENTYLCYCLOHEXYL)-, TRANS-",061204-01-1,109063,4-(4-pentylcyclohexyl)benzonitrile,CCCCCC1CCC(CC1)C2=CC=C(C=C2)C#N,"InChI=1S/C18H25N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h8-9,12-13,15,17H,2-7,10-11H2,1H3",FURZYCFZFBYJBT-UHFFFAOYSA-N,C18H25N,255.4,255.1986998,6.6,23.8,284,0,0,1,5,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CANNABICYCLOHEXANOL,070434-92-3,12788231,"2-[(1R,3S)-3-hydroxycyclohexyl]-5-(2-methylnonan-2-yl)phenol",CCCCCCCC(C)(C)C1=CC(=C(C=C1)[C@@H]2CCC[C@@H](C2)O)O,"InChI=1S/C22H36O2/c1-4-5-6-7-8-14-22(2,3)18-12-13-20(21(24)16-18)17-10-9-11-19(23)15-17/h12-13,16-17,19,23-24H,4-11,14-15H2,1-3H3/t17-,19+/m1/s1",HNMJDLVMIUDJNH-MJGOQNOKSA-N,C22H36O2,332.5,332.2715304,7.2,40.5,352,0,2,2,8,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"5-(1,1-DIMETHYLHEPTYL)-2-(3-HYDROXYCYCLOHEXYL)PHENOL",070434-82-1,125835,"2-[(1R,3S)-3-hydroxycyclohexyl]-5-(2-methyloctan-2-yl)phenol",CCCCCCC(C)(C)C1=CC(=C(C=C1)[C@@H]2CCC[C@@H](C2)O)O,"InChI=1S/C21H34O2/c1-4-5-6-7-13-21(2,3)17-11-12-19(20(23)15-17)16-9-8-10-18(22)14-16/h11-12,15-16,18,22-23H,4-10,13-14H2,1-3H3/t16-,18+/m1/s1",ZWWRREXSUJTKNN-AEFFLSMTSA-N,C21H34O2,318.5,318.2558803,6.7,40.5,339,0,2,2,7,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"BENZONITRILE, 4-(4-HEPTYLCYCLOHEXYL)-, TRANS-",061204-03-3,109064,4-(4-heptylcyclohexyl)benzonitrile,CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C#N,"InChI=1S/C20H29N/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)20-14-10-18(16-21)11-15-20/h10-11,14-15,17,19H,2-9,12-13H2,1H3",NSGMZTNTQKRAFA-UHFFFAOYSA-N,C20H29N,283.5,283.2299999,7.7,23.8,310,0,0,1,7,21,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, 1-ETHYL-4-(4-PROPYLCYCLOHEXYL)-, TRANS-",082991-47-7,174293,1-ethyl-4-(4-propylcyclohexyl)benzene,CCCC1CCC(CC1)C2=CC=C(C=C2)CC,"InChI=1S/C17H26/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h6-7,10-11,15,17H,3-5,8-9,12-13H2,1-2H3",OYOBZVHPZUVLSF-UHFFFAOYSA-N,C17H26,230.4,230.2034508,6.6,0,192,0,0,0,4,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclohexanol, 1-phenyl-",1589-60-2,15319,1-phenylcyclohexan-1-ol,C1CCC(CC1)(C2=CC=CC=C2)O,"InChI=1S/C12H16O/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h1,3-4,7-8,13H,2,5-6,9-10H2",DTTDXHDYTWQDCS-UHFFFAOYSA-N,C12H16O,176.25,176.1201151,2.6,20.2,153,0,1,1,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexylamine, 1-phenyl-, hydrochloride",1934-71-0,200391,1-phenylcyclohexan-1-amine;hydrochloride,C1CCC(CC1)(C2=CC=CC=C2)N.Cl,"InChI=1S/C12H17N.ClH/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11;/h1,3-4,7-8H,2,5-6,9-10,13H2;1H",AFQRMCRVQVUGMF-UHFFFAOYSA-N,C12H18ClN,211.73,211.1127773,,26,153,0,2,1,1,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexylamine, 4-phenyl-, (E)-",10/8/69,29897,4-phenylcyclohexan-1-amine,C1CC(CCC1C2=CC=CC=C2)N,"InChI=1S/C12H17N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2",SJISCEAZUHNOMD-UHFFFAOYSA-N,C12H17N,175.27,175.1360995,2.3,26,141,0,1,1,1,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Cyclohexanemethylamine, 1-phenyl-",17380-54-0,205110,(1-phenylcyclohexyl)methanamine,C1CCC(CC1)(CN)C2=CC=CC=C2,"InChI=1S/C13H19N/c14-11-13(9-5-2-6-10-13)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11,14H2",ULRBJKIRTCBMRW-UHFFFAOYSA-N,C13H19N,189.3,189.1517496,3.2,26,164,0,1,1,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclohexanol, 4-amino-1-phenyl-, (Z)-",51171-78-9,3039766,4-amino-1-phenylcyclohexan-1-ol,C1CC(CCC1N)(C2=CC=CC=C2)O,"InChI=1S/C12H17NO/c13-11-6-8-12(14,9-7-11)10-4-2-1-3-5-10/h1-5,11,14H,6-9,13H2",IUECPDWEFSCXJG-UHFFFAOYSA-N,C12H17NO,191.27,191.1310142,1.2,46.3,179,0,2,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexanecarboxylic acid, 2-hydroxy-2-phenyl-, cis-",57808-63-6,68776,"cis-(1S,2R)-2-hydroxy-2-phenylcyclohexane-1-carboxylic acid",C1CC[C@@]([C@H](C1)C(=O)O)(C2=CC=CC=C2)O,"InChI=1S/C13H16O3/c14-12(15)11-8-4-5-9-13(11,16)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)/t11-,13+/m1/s1",VCZPUGSOJXZKIP-YPMHNXCESA-N,C13H16O3,220.26,220.1099444,2.4,57.5,258,0,2,3,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexanol, 2-((dimethylamino)methyl)-1-(m-methoxyphenyl)-, hydrochloride, (E)-",73806-49-2,63014,"trans-(1R,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride",CN(C)C[C@@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O.Cl,"InChI=1S/C16H25NO2.ClH/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;1H/t14-,16-;/m0./s1",PPKXEPBICJTCRU-DMLYUBSXSA-N,C16H26ClNO2,299.83,299.1652068,,32.7,282,0,2,3,4,20,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 5-(1,1-dimethylheptyl)-2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-, rel-(-)-",83002-04-4,4412255,2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol,CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCC2CCCO)O)O,"InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3",YNZFFALZMRAPHQ-UHFFFAOYSA-N,C24H40O3,376.6,376.2977451,6.1,60.7,408,0,3,3,10,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"Cyclohexanol, 2-phenyl-",1444-64-0,15046,2-phenylcyclohexan-1-ol,C1CCC(C(C1)C2=CC=CC=C2)O,"InChI=1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2",AAIBYZBZXNWTPP-UHFFFAOYSA-N,C12H16O,176.25,176.1201151,2.7,20.2,149,0,1,1,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
8-ETHOXYCAFFEINE,000577-66-2,11347,"8-ethoxy-1,3,7-trimethylpurine-2,6-dione",CCOC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C,"InChI=1S/C10H14N4O3/c1-5-17-9-11-7-6(12(9)2)8(15)14(4)10(16)13(7)3/h5H2,1-4H3",LCYXNYNRVOBSHK-UHFFFAOYSA-N,C10H14N4O3,238.24,238.1065903,0.6,67.7,348,0,0,4,2,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Xanthine, 3-hydroxy-",013479-29-3,83520,"3-hydroxy-7H-purine-2,6-dione",C1=NC2=C(N1)C(=O)NC(=O)N2O,"InChI=1S/C5H4N4O3/c10-4-2-3(7-1-6-2)9(12)5(11)8-4/h1,12H,(H,6,7)(H,8,10,11)",WYOFOAXXUITNKN-UHFFFAOYSA-N,C5H4N4O3,168.11,168.02834,-1.2,98.3,243,0,3,4,0,12,,,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ALKOXYLATED FATTY ACID (CAFFEINE CITRATE),000069-22-7,6241,"2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione",CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,"InChI=1S/C8H10N4O2.C6H8O7/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;7-3(8)1-6(13,5(11)12)2-4(9)10/h4H,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",RCQXSQPPHJPGOF-UHFFFAOYSA-N,C14H18N4O9,386.31,386.1073782,,191,520,0,4,10,5,27,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
THEOBROMINE,000083-67-0,5429,"3,7-dimethylpurine-2,6-dione",CN1C=NC2=C1C(=O)NC(=O)N2C,"InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)",YAPQBXQYLJRXSA-UHFFFAOYSA-N,C7H8N4O2,180.16,180.0647255,-0.8,67.2,267,0,1,3,0,13,,"Sublimes at 554-563 °F (NTP, 1992)",0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H-PURINE-2,6-DIONE, 7-(2,3-DIHYDROXYPROPYL)-3,7-DIHYDRO-1,3-DIMETHYL-",000479-18-5,3182,"7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione",CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O,"InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3",KSCFJBIXMNOVSH-UHFFFAOYSA-N,C10H14N4O4,254.24,254.1015049,-1.8,98.9,364,0,2,5,3,18,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Theophylline, 7-(2-hydroxyethyl)-",000519-37-9,1892,"7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione",CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO,"InChI=1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3",NWPRCRWQMGIBOT-UHFFFAOYSA-N,C9H12N4O3,224.22,224.0909403,-1.2,78.7,322,0,1,4,2,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Paraxanthine-,000611-59-6,4687,"1,7-dimethyl-3H-purine-2,6-dione",CN1C=NC2=C1C(=O)N(C(=O)N2)C,"InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)",QUNWUDVFRNGTCO-UHFFFAOYSA-N,C7H8N4O2,180.16,180.0647255,-0.2,67.2,267,0,1,3,0,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Theophylline, 8-chloro-",85-18-7,10661,"8-chloro-1,3-dimethyl-7H-purine-2,6-dione",CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl,"InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)",RYIGNEOBDRVTHA-UHFFFAOYSA-N,C7H7ClN4O2,214.61,214.0257532,0.9,69.3,297,0,1,3,0,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Xanthine, 7-methyl-",552-62-5,68374,"7-methyl-3H-purine-2,6-dione",CN1C=NC2=C1C(=O)NC(=O)N2,"InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)",PFWLFWPASULGAN-UHFFFAOYSA-N,C6H6N4O2,166.14,166.0490755,-0.9,76,242,0,2,3,0,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Theophylline, 7-(2-hydroxypropyl)-",603-00-9,4977,"7-(2-hydroxypropyl)-1,3-dimethylpurine-2,6-dione",CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O,"InChI=1S/C10H14N4O3/c1-6(15)4-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3",KYHQZNGJUGFTGR-UHFFFAOYSA-N,C10H14N4O3,238.24,238.1065903,-0.8,78.7,348,0,1,4,2,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Xanthine, 3-methyl-",1076-22-8,70639,"3-methyl-7H-purine-2,6-dione",CN1C2=C(C(=O)NC1=O)NC=N2,"InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)",GMSNIKWWOQHZGF-UHFFFAOYSA-N,C6H6N4O2,166.14,166.0490755,-0.7,78.1,242,0,2,3,0,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Caffeine, 8-chloro-",4921-49-7,21031,"8-chloro-1,3,7-trimethylpurine-2,6-dione",CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C,InChI=1S/C8H9ClN4O2/c1-11-4-5(10-7(11)9)12(2)8(15)13(3)6(4)14/h1-3H3,HGKPGBJNNATDRR-UHFFFAOYSA-N,C8H9ClN4O2,228.63,228.0414032,0.9,58.4,324,0,0,3,0,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Theophylline, 7-(2-chloroethyl)-",5878-61-5,1882,"7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione",CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl,"InChI=1S/C9H11ClN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3",QCIARNIKNKKHFH-UHFFFAOYSA-N,C9H11ClN4O2,242.66,242.0570533,0.1,58.4,325,0,0,3,2,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Theophylline, 8-amino-",19410-53-8,95034,"8-amino-1,3-dimethyl-7H-purine-2,6-dione",CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N,"InChI=1S/C7H9N5O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H3,8,9,10)",ZZESAIGPDOBLKZ-UHFFFAOYSA-N,C7H9N5O2,195.18,195.0756246,-0.4,95.3,294,0,2,4,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Purine-2,6-dione, 3,7-dihydro-3-propyl-",41078-02-8,1676,"3-propyl-7H-purine-2,6-dione",CCCN1C2=C(C(=O)NC1=O)NC=N2,"InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)",SIQPXVQCUCHWDI-UHFFFAOYSA-N,C8H10N4O2,194.19,194.0803756,0.3,78.1,268,0,2,3,2,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-ISOBUTYL-1-METHYLXANTHINE,028822-58-4,3758,"1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione",CC(C)CN1C2=C(C(=O)N(C1=O)C)NC=N2,"InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)",APIXJSLKIYYUKG-UHFFFAOYSA-N,C10H14N4O2,222.24,222.1116757,1.5,69.3,318,0,1,3,2,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Theobromine, 1-(5-oxohexyl)-",006493-05-6,4740,"3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione",CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C,"InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3",BYPFEZZEUUWMEJ-UHFFFAOYSA-N,C13H18N4O3,278.31,278.1378905,0.3,75.5,426,0,0,4,5,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-PURINE-2,6-DIONE, 8-BROMO-3,7-DIHYDRO-1,3-DIMETHYL-",010381-75-6,11808,"8-bromo-1,3-dimethyl-7H-purine-2,6-dione",CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br,"InChI=1S/C7H7BrN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)",SKTFQHRVFFOHTQ-UHFFFAOYSA-N,C7H7BrN4O2,259.06,257.97524,1,69.3,297,0,1,3,0,14,,Decomposes at 300 ºC,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
XANTHINE,000069-89-6,1188,"3,7-dihydropurine-2,6-dione",C1=NC2=C(N1)C(=O)NC(=O)N2,"InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)",LRFVTYWOQMYALW-UHFFFAOYSA-N,C5H4N4O2,152.11,152.0334254,-0.7,86.9,217,0,3,3,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"THEOPHYLLINE, ANHYDROUS",000058-55-9,2153,"1,3-dimethyl-7H-purine-2,6-dione",CN1C2=C(C(=O)N(C1=O)C)NC=N2,"InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)",ZFXYFBGIUFBOJW-UHFFFAOYSA-N,C7H8N4O2,180.16,180.0647255,0,69.3,267,0,1,3,0,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Theobromine, 1-(2-hydroxypropyl)-",50-39-5,66120,"1-(2-hydroxypropyl)-3,7-dimethylpurine-2,6-dione",CC(CN1C(=O)C2=C(N=CN2C)N(C1=O)C)O,"InChI=1S/C10H14N4O3/c1-6(15)4-14-9(16)7-8(11-5-12(7)2)13(3)10(14)17/h5-6,15H,4H2,1-3H3",MXRGZXBFSKSZPH-UHFFFAOYSA-N,C10H14N4O3,238.24,238.1065903,-0.3,78.7,348,0,1,4,2,17,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Xanthine, 1-methyl-",6136-37-4,80220,"1-methyl-3,7-dihydropurine-2,6-dione",CN1C(=O)C2=C(NC1=O)N=CN2,"InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)",MVOYJPOZRLFTCP-UHFFFAOYSA-N,C6H6N4O2,166.14,166.0490755,-0.3,78.1,242,0,2,3,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(2-propynyl)-",14114-46-6,99562,"3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione",CN1C=NC2=C1C(=O)N(C(=O)N2C)CC#C,"InChI=1S/C10H10N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h1,6H,5H2,2-3H3",IORPOFJLSIHJOG-UHFFFAOYSA-N,C10H10N4O2,218.21,218.0803756,0,58.4,386,0,0,3,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Theobromine, 8-(propylthio)-",74039-58-0,96606,"3,7-dimethyl-8-propylsulfanylpurine-2,6-dione",CCCSC1=NC2=C(N1C)C(=O)NC(=O)N2C,"InChI=1S/C10H14N4O2S/c1-4-5-17-10-11-7-6(13(10)2)8(15)12-9(16)14(7)3/h4-5H2,1-3H3,(H,12,15,16)",OWVDTHIYHTUYFI-UHFFFAOYSA-N,C10H14N4O2S,254.31,254.0837469,1.1,92.5,338,0,1,4,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPEN-1-ONE, 1-(2-HYDROXYPHENYL)-3-PHENYL-",001214-47-7,638276,(E)-1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one,C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2O,"InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11,16H/b11-10+",AETKQQBRKSELEL-ZHACJKMWSA-N,C15H12O2,224.25,224.0837296,3.9,37.3,277,0,1,2,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Chalcone, 3-nitro-",614-48-2,94862,3-(3-nitrophenyl)-1-phenylprop-2-en-1-one,C1=CC=C(C=C1)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-],InChI=1S/C15H11NO3/c17-15(13-6-2-1-3-7-13)10-9-12-5-4-8-14(11-12)16(18)19/h1-11H,SMFBODMWKWBFOK-UHFFFAOYSA-N,C15H11NO3,253.25,253.0738932,2.9,62.9,353,0,0,3,3,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propen-1-one, 3-(4-chlorophenyl)-1-phenyl-",956-04-7,5377022,(E)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one,C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)Cl,InChI=1S/C15H11ClO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H/b11-8+,ABGIIXRNMHUKII-DHZHZOJOSA-N,C15H11ClO,242.7,242.0498427,3.7,17.1,271,0,0,1,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Chalcone, 2',4,4'-trihydroxy-",961-29-5,638278,"(E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one",C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O,"InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+",DXDRHHKMWQZJHT-FPYGCLRLSA-N,C15H12O4,256.25,256.0735589,3.2,77.8,331,0,3,4,3,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Chalcone, 2',4'-dihydroxy-",1776-30-3,5376979,"(E)-1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one",C1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)O)O,"InChI=1S/C15H12O3/c16-12-7-8-13(15(18)10-12)14(17)9-6-11-4-2-1-3-5-11/h1-10,16,18H/b9-6+",JUMSUVHHUVPSOY-RMKNXTFCSA-N,C15H12O3,240.25,240.0786442,3.5,57.5,305,0,2,3,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propen-1-one, 3-(2-chlorophenyl)-1-phenyl-",3300-67-2,5388549,(E)-3-(2-chlorophenyl)-1-phenylprop-2-en-1-one,C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2Cl,InChI=1S/C15H11ClO/c16-14-9-5-4-6-12(14)10-11-15(17)13-7-2-1-3-8-13/h1-11H/b11-10+,IGSYOTSSTZUGIA-ZHACJKMWSA-N,C15H11ClO,242.7,242.0498427,4.4,17.1,279,0,0,1,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propen-1-one, 3-(4-methylphenyl)-1-phenyl-",4224-87-7,5375849,(E)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one,CC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2,"InChI=1S/C16H14O/c1-13-7-9-14(10-8-13)11-12-16(17)15-5-3-2-4-6-15/h2-12H,1H3/b12-11+",XNLFHCPVTULKIV-VAWYXSNFSA-N,C16H14O,222.28,222.1044651,3.4,17.1,265,0,0,1,3,17,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetophenone, 4'-bromo-2-(p-chlorobenzylidene)-",6332-22-5,5293152,(E)-1-(4-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one,C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)Br)Cl,InChI=1S/C15H10BrClO/c16-13-6-4-12(5-7-13)15(18)10-3-11-1-8-14(17)9-2-11/h1-10H/b10-3+,HYCQSDMDGCPEPI-XCVCLJGOSA-N,C15H10BrClO,321.59,319.96036,4.4,17.1,300,0,0,1,3,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propen-1-one, 1-(4-chlorophenyl)-3-(4-methoxyphenyl)-, (2E)-",6552-63-2,256546,1-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one,COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)Cl,"InChI=1S/C16H13ClO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11H,1H3",KGKFNDADSPFRCJ-UHFFFAOYSA-N,C16H13ClO2,272.72,272.0604073,3.7,26.3,311,0,0,2,4,19,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)-",13351-10-5,5711223,"(E)-1-(2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one",COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)O)O,"InChI=1S/C16H14O4/c1-20-13-6-2-11(3-7-13)4-9-15(18)14-8-5-12(17)10-16(14)19/h2-10,17,19H,1H3/b9-4+",ADRQFDIWPRFKSP-RUDMXATFSA-N,C16H14O4,270.28,270.0892089,3.7,66.8,344,0,2,4,4,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propen-1-one, 3-(2,3-dimethoxyphenyl)-1-(4-methoxyphenyl)-, (2E)-",18778-38-6,5346378,"(E)-3-(2,3-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one",COC1=CC=C(C=C1)C(=O)/C=C/C2=C(C(=CC=C2)OC)OC,"InChI=1S/C18H18O4/c1-20-15-10-7-13(8-11-15)16(19)12-9-14-5-4-6-17(21-2)18(14)22-3/h4-12H,1-3H3/b12-9+",IECVLMVZGCYCSZ-FMIVXFBMSA-N,C18H18O4,298.3,298.1205091,3.6,44.8,371,0,0,4,6,22,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propen-1-one, 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)-, (2E)-",19152-36-4,5712116,"(E)-3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one",COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=CC=C2O)OC,"InChI=1S/C17H16O4/c1-20-16-10-8-12(11-17(16)21-2)7-9-15(19)13-5-3-4-6-14(13)18/h3-11,18H,1-2H3/b9-7+",MFLSRHQHCDTOGH-VQHVLOKHSA-N,C17H16O4,284.31,284.104859,3.8,55.8,366,0,1,4,5,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-Propen-1-one, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-, (2E)-",19309-14-9,641785,"(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one",COC1=CC(=CC(=C1C(=O)/C=C/C2=CC=CC=C2)O)O,"InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+",NYSZJNUIVUBQMM-BQYQJAHWSA-N,C16H14O4,270.28,270.0892089,3.5,66.8,346,0,2,4,4,20,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Salicylic acid, p-methoxycinnamate",33494-96-1,6116119,2-hydroxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]benzoic acid,COC1=CC=C(C=C1)/C=C/C(=O)C2=CC(=C(C=C2)O)C(=O)O,"InChI=1S/C17H14O5/c1-22-13-6-2-11(3-7-13)4-8-15(18)12-5-9-16(19)14(10-12)17(20)21/h2-10,19H,1H3,(H,20,21)/b8-4+",VQHPMNQHSCDLLS-XBXARRHUSA-N,C17H14O5,298.29,298.0841235,3.4,83.8,423,0,2,5,5,22,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propen-1-one, 3-(5-(1,1-dimethyl-2-propenyl)-4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)-, (E)-",58749-22-7,5318998,(E)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one,CC(C)(C=C)C1=C(C=C(C(=C1)/C=C/C(=O)C2=CC=C(C=C2)O)OC)O,"InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+",KAZSKMJFUPEHHW-DHZHZOJOSA-N,C21H22O4,338.4,338.1518092,4.9,66.8,488,0,2,4,6,25,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(2-methoxyphenyl)-",108051-21-4,6161915,"(E)-1-(2,4-dihydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one",COC1=CC=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O,"InChI=1S/C16H14O4/c1-20-16-5-3-2-4-11(16)6-9-14(18)13-8-7-12(17)10-15(13)19/h2-10,17,19H,1H3/b9-6+",ODLVGCCGMXGMGZ-RMKNXTFCSA-N,C16H14O4,270.28,270.0892089,3.5,66.8,352,0,2,4,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propen-1-one, 1,3-bis(4-chlorophenyl)-",,5377011,"(E)-1,3-bis(4-chlorophenyl)prop-2-en-1-one",C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)Cl)Cl,InChI=1S/C15H10Cl2O/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10H/b10-3+,YMEMCRBNZSLQCQ-XCVCLJGOSA-N,C15H10Cl2O,277.1,276.0108703,4.3,17.1,298,0,0,1,3,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propen-1-one, 1-(4-bromophenyl)-3-phenyl-",,5355204,(E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one,C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)Br,InChI=1S/C15H11BrO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11H/b11-6+,QMHDTKUBDZUMNH-IZZDOVSWSA-N,C15H11BrO,287.15,285.99933,3.8,17.1,271,0,0,1,3,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propen-1-one, 1-(4-methylphenyl)-3-phenyl-",,5376379,(E)-1-(4-methylphenyl)-3-phenylprop-2-en-1-one,CC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2,"InChI=1S/C16H14O/c1-13-7-10-15(11-8-13)16(17)12-9-14-5-3-2-4-6-14/h2-12H,1H3/b12-9+",SSXZWAYXQSKEMV-FMIVXFBMSA-N,C16H14O,222.28,222.1044651,3.4,17.1,265,0,0,1,3,17,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
XANTHOHUMOL,006754-58-1,639665,"(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one",CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=CC=C(C=C2)O)O)C,"InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+",ORXQGKIUCDPEAJ-YRNVUSSQSA-N,C21H22O5,354.4,354.1467238,5.1,87,514,0,3,5,6,26,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-Propen-1-one, 3-(4-methoxyphenyl)-1-phenyl-, (2E)-",22252-15-9,641819,(E)-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one,COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2,"InChI=1S/C16H14O2/c1-18-15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h2-12H,1H3/b12-9+",XUFXKBJMCRJATM-FMIVXFBMSA-N,C16H14O2,238.28,238.0993797,3.1,26.3,281,0,0,2,4,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)-",26962-50-5,5811533,"(E)-1-(2,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one",C1=CC=C(C(=C1)/C=C/C(=O)C2=C(C=C(C=C2)O)O)O,"InChI=1S/C15H12O4/c16-11-6-7-12(15(19)9-11)14(18)8-5-10-3-1-2-4-13(10)17/h1-9,16-17,19H/b8-5+",MACMAADVRVVHBD-VMPITWQZSA-N,C15H12O4,256.25,256.0735589,3.2,77.8,339,0,3,4,3,19,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-ANTHRACENESULFONIC ACID, 1-AMINO-4-[[3-(ETHENYLSULFONYL)PHENYL]AMINO]-9,10-D",014541-90-3,23678406,"sodium 1-amino-4-(2-ethenylsulfonylanilino)-9,10-dioxoanthracene-2-sulfonate",C=CS(=O)(=O)C1=CC=CC=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+],"InChI=1S/C22H16N2O7S2.Na/c1-2-32(27,28)16-10-6-5-9-14(16)24-15-11-17(33(29,30)31)20(23)19-18(15)21(25)12-7-3-4-8-13(12)22(19)26;/h2-11,24H,1,23H2,(H,29,30,31);/q;+1/p-1",ODADSOUDUYEAHK-UHFFFAOYSA-M,C22H15N2NaO7S2,506.5,506.0218375,,180,1020,0,2,9,5,34,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
C.I. ACID BLUE 25,006408-78-2,23675622,"sodium 1-amino-4-anilino-9,10-dioxoanthracene-2-sulfonate",C1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+],"InChI=1S/C20H14N2O5S.Na/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23;/h1-10,22H,21H2,(H,25,26,27);/q;+1/p-1",LIKZXCROQGHXTI-UHFFFAOYSA-M,C20H13N2NaO5S,416.4,416.044287,,138,734,0,2,7,3,29,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-ANTHRACENEDIONE, 1-(METHYLAMINO)-4-[(3-METHYLPHENYL)AMINO]-",006408-50-0,80834,"1-(methylamino)-4-(3-methylanilino)anthracene-9,10-dione",CC1=CC(=CC=C1)NC2=C3C(=C(C=C2)NC)C(=O)C4=CC=CC=C4C3=O,"InChI=1S/C22H18N2O2/c1-13-6-5-7-14(12-13)24-18-11-10-17(23-2)19-20(18)22(26)16-9-4-3-8-15(16)21(19)25/h3-12,23-24H,1-2H3",GBAJQXFGDKEDBM-UHFFFAOYSA-N,C22H18N2O2,342.4,342.1368278,5.9,58.2,548,0,2,4,3,26,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"9,10-ANTHRACENEDIONE, 1,8-DIHYDROXY-4-[[4-(2-HYDROXYETHYL)PHENYL]AMINO]-5-NITR",015791-78-3,5360487,"1,8-dihydroxy-4-[4-(2-hydroxyethyl)anilino]-5-nitroanthracene-9,10-dione",C1=CC(=CC=C1CCO)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)[N+](=O)[O-])O,"InChI=1S/C22H16N2O7/c25-10-9-11-1-3-12(4-2-11)23-13-5-7-15(26)19-17(13)21(28)18-14(24(30)31)6-8-16(27)20(18)22(19)29/h1-8,23,25-27H,9-10H2",VOCYGZAHYQXJOF-UHFFFAOYSA-N,C22H16N2O7,420.4,420.0957509,4.2,153,702,0,4,8,4,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-ANTHRACENESULFONIC ACID, 1-AMINO-4-[[4-[(2-BROMO-1-OXO-2-PROPENYL)AMINO]-2-S",070209-99-3,166108,"disodium;1-amino-4-[4-(2-bromoprop-2-enoylamino)-2-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate",C=C(C(=O)NC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])Br.[Na+].[Na+],"InChI=1S/C23H16BrN3O9S2.2Na/c1-10(24)23(30)26-11-6-7-14(16(8-11)37(31,32)33)27-15-9-17(38(34,35)36)20(25)19-18(15)21(28)12-4-2-3-5-13(12)22(19)29;;/h2-9,27H,1,25H2,(H,26,30)(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2",BCENAVMKNRCXMQ-UHFFFAOYSA-L,C23H14BrN3Na2O9S2,666.4,664.91502,,232,1190,0,3,11,4,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-ANTHRACENESULFONIC ACID, 1-AMINO-9,10-DIHYDRO-4-[[3-[[(2-HYDROXYETHYL)AMINO]",025797-81-3,23689115,"sodium 1-amino-4-[3-(2-hydroxyethylsulfamoyl)-4,5-dimethylanilino]-9,10-dioxoanthracene-2-sulfonate",CC1=CC(=CC(=C1C)S(=O)(=O)NCCO)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+],"InChI=1S/C24H23N3O8S2.Na/c1-12-9-14(10-18(13(12)2)36(31,32)26-7-8-28)27-17-11-19(37(33,34)35)22(25)21-20(17)23(29)15-5-3-4-6-16(15)24(21)30;/h3-6,9-11,26-28H,7-8,25H2,1-2H3,(H,33,34,35);/q;+1/p-1",MHHGZCMFNNAVCQ-UHFFFAOYSA-M,C24H22N3NaO8S2,567.6,567.0746013,,213,1090,0,4,11,7,38,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"1-PROPANAMINIUM, 3-[[9,10-DIHYDRO-4-[(4-METHYLPHENYL)AMINO]-9,10-DIOXO-1-ANTHR",072828-93-4,166323,"methyl sulfate;trimethyl-[3-[[4-(4-methylanilino)-9,10-dioxoanthracen-1-yl]amino]propyl]azanium",CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NCCC[N+](C)(C)C)C(=O)C4=CC=CC=C4C3=O.COS(=O)(=O)[O-],"InChI=1S/C27H29N3O2.CH4O4S/c1-18-10-12-19(13-11-18)29-23-15-14-22(28-16-7-17-30(2,3)4)24-25(23)27(32)21-9-6-5-8-20(21)26(24)31;1-5-6(2,3)4/h5-6,8-15H,7,16-17H2,1-4H3,(H-,28,29,31,32);1H3,(H,2,3,4)",BFJXZOJYPWMIAI-UHFFFAOYSA-N,C28H33N3O6S,539.6,539.209007,,133,755,0,2,8,7,38,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
D AND C VIOLET NO. 2,000081-48-1,6680,"1-hydroxy-4-(4-methylanilino)anthracene-9,10-dione",CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O,"InChI=1S/C21H15NO3/c1-12-6-8-13(9-7-12)22-16-10-11-17(23)19-18(16)20(24)14-4-2-3-5-15(14)21(19)25/h2-11,22-23H,1H3",LJFWQNJLLOFIJK-UHFFFAOYSA-N,C21H15NO3,329.3,329.1051933,5.5,66.4,525,0,2,4,2,25,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"9,10-ANTHRACENEDIONE, 1,5-DIHYDROXY-4-NITRO-8-(PHENYLAMINO)-",003065-87-0,5483103,"1-anilino-4,8-dihydroxy-5-nitroanthracene-9,10-dione",C1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)O)[N+](=O)[O-],"InChI=1S/C20H12N2O6/c23-13-8-6-11(21-10-4-2-1-3-5-10)15-17(13)20(26)16-12(22(27)28)7-9-14(24)18(16)19(15)25/h1-9,21,23-24H",PHLHEYMNKXWDMC-UHFFFAOYSA-N,C20H12N2O6,376.3,376.0695361,4.6,132,643,0,3,7,2,28,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"9,10-ANTHRACENEDIONE, 1,8-DIHYDROXY-4-NITRO-5-(PHENYLAMINO)-",020241-76-3,5462989,"1-anilino-4,5-dihydroxy-8-nitroanthracene-9,10-dione",C1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)[N+](=O)[O-])O,"InChI=1S/C20H12N2O6/c23-13-8-6-11(21-10-4-2-1-3-5-10)15-17(13)20(26)18-14(24)9-7-12(22(27)28)16(18)19(15)25/h1-9,21,23-24H",DYALWCKAJBVSBZ-UHFFFAOYSA-N,C20H12N2O6,376.3,376.0695361,4.6,132,643,0,3,7,2,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"2-ANTHRACENESULFONIC ACID, 1-AMINO-4-[[3-[[(CHLOROACETYL)AMINO]METHYL]-2,4,6-T",070209-96-0,23673669,"sodium 1-amino-4-[3-[[(2-chloroacetyl)amino]methyl]-2,4,6-trimethylanilino]-9,10-dioxoanthracene-2-sulfonate",CC1=CC(=C(C(=C1CNC(=O)CCl)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])C.[Na+],"InChI=1S/C26H24ClN3O6S.Na/c1-12-8-13(2)24(14(3)17(12)11-29-20(31)10-27)30-18-9-19(37(34,35)36)23(28)22-21(18)25(32)15-6-4-5-7-16(15)26(22)33;/h4-9,30H,10-11,28H2,1-3H3,(H,29,31)(H,34,35,36);/q;+1/p-1",UWJYABMDWCUUTF-UHFFFAOYSA-M,C26H23ClN3NaO6S,564,563.0893786,,167,1010,0,3,8,6,38,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-ANTHRACENESULFONIC ACID, 1-AMINO-4-[[3,5-BIS[[(CHLOROACETYL)AMINO]METHYL]-2,",080010-51-1,23673700,"sodium 1-amino-4-[3,5-bis[[(2-chloroacetyl)amino]methyl]-2,4,6-trimethylanilino]-9,10-dioxoanthracene-2-sulfonate",CC1=C(C(=C(C(=C1CNC(=O)CCl)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])C)CNC(=O)CCl.[Na+],"InChI=1S/C29H28Cl2N4O7S.Na/c1-13-18(11-33-22(36)9-30)14(2)27(15(3)19(13)12-34-23(37)10-31)35-20-8-21(43(40,41)42)26(32)25-24(20)28(38)16-6-4-5-7-17(16)29(25)39;/h4-8,35H,9-12,32H2,1-3H3,(H,33,36)(H,34,37)(H,40,41,42);/q;+1/p-1",HVDUMYBPGXAPLG-UHFFFAOYSA-M,C29H27Cl2N4NaO7S,669.5,668.0875201,,196,1160,0,4,9,9,44,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
EXT. D & C VIOLET NO. 2,004430-18-6,23669622,"sodium 2-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]-5-methylbenzenesulfonate",CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)[O-].[Na+],"InChI=1S/C21H15NO6S.Na/c1-11-6-7-14(17(10-11)29(26,27)28)22-15-8-9-16(23)19-18(15)20(24)12-4-2-3-5-13(12)21(19)25;/h2-10,22-23H,1H3,(H,26,27,28);/q;+1/p-1",GTKIEPUIFBBXJQ-UHFFFAOYSA-M,C21H14NNaO6S,431.4,431.0439526,,132,768,0,2,7,3,30,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
REMAZOL BRILLIANT BLUE R (C. I. 61200),002580-78-1,17409,"disodium;1-amino-9,10-dioxo-4-[3-(2-sulfonatooxyethylsulfonyl)anilino]anthracene-2-sulfonate",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+],"InChI=1S/C22H18N2O11S3.2Na/c23-20-17(37(29,30)31)11-16(18-19(20)22(26)15-7-2-1-6-14(15)21(18)25)24-12-4-3-5-13(10-12)36(27,28)9-8-35-38(32,33)34;;/h1-7,10-11,24H,8-9,23H2,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2",KUIXZSYWBHSYCN-UHFFFAOYSA-L,C22H16N2Na2O11S3,626.5,625.9711614,,255,1210,0,2,13,6,40,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-ANTHRACENESULFONIC ACID, 8-[[4-(1,1-DIMETHYLETHYL)-2-SULFOPHENYL]AMINO]-9,10",072828-68-3,175181,"disodium;8-(4-tert-butyl-2-sulfonatoanilino)-1-hydroxy-9,10-dioxo-5-(propan-2-ylamino)anthracene-2-sulfonate",CC(C)NC1=C2C(=C(C=C1)NC3=C(C=C(C=C3)C(C)(C)C)S(=O)(=O)[O-])C(=O)C4=C(C2=O)C=CC(=C4O)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C27H28N2O9S2.2Na/c1-13(2)28-17-9-10-18(29-16-8-6-14(27(3,4)5)12-20(16)40(36,37)38)23-22(17)24(30)15-7-11-19(39(33,34)35)25(31)21(15)26(23)32;;/h6-13,28-29,31H,1-5H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",FSNNTIUWZWTFTK-UHFFFAOYSA-L,C27H26N2Na2O9S2,632.6,632.0875113,,210,1160,0,3,11,5,42,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-ANTHRACENEDIONE, 1-AMINO-4-(PHENYLAMINO)-",004395-65-7,20419,"1-amino-4-anilinoanthracene-9,10-dione",C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O,"InChI=1S/C20H14N2O2/c21-15-10-11-16(22-12-6-2-1-3-7-12)18-17(15)19(23)13-8-4-5-9-14(13)20(18)24/h1-11,22H,21H2",XUDJOVURIXHNRW-UHFFFAOYSA-N,C20H14N2O2,314.3,314.1055277,4.8,72.2,500,0,2,4,2,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-ANTHRACENEDIONE, 1-AMINO-4-[(4-METHOXYPHENYL)AMINO]-",023060-42-6,89984,"1-amino-4-(4-methoxyanilino)anthracene-9,10-dione",COC1=CC=C(C=C1)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O,"InChI=1S/C21H16N2O3/c1-26-13-8-6-12(7-9-13)23-17-11-10-16(22)18-19(17)21(25)15-5-3-2-4-14(15)20(18)24/h2-11,23H,22H2,1H3",MMFCPKYGMSQKCQ-UHFFFAOYSA-N,C21H16N2O3,344.4,344.1160924,4.8,81.4,543,0,2,5,3,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
C.I. Reactive Blue 50,12225-61-5,101531268,"disodium;N-[3-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-2,4,6-trimethyl-5-sulfophenyl]-2,3-dibromopropanimidate",CC1=C(C(=C(C(=C1N=C(C(CBr)Br)[O-])C)S(=O)(=O)O)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C26H23Br2N3O9S2.2Na/c1-10-21(11(2)25(42(38,39)40)12(3)22(10)31-26(34)15(28)9-27)30-16-8-17(41(35,36)37)20(29)19-18(16)23(32)13-6-4-5-7-14(13)24(19)33;;/h4-8,15,30H,9,29H2,1-3H3,(H,31,34)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2",SQRKXGOXNHPTSS-UHFFFAOYSA-L,C26H21Br2N3Na2O9S2,789.4,788.88609,,236,1290,0,3,12,6,44,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-ANTHRACENESULFONIC ACID, 1-AMINO-4-[(3-AMINO-4-SULFOPHENYL)AMINO]-9,10-DIHYD",000128-99-4,67204,"1-amino-4-(3-amino-4-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)S(=O)(=O)O)N)S(=O)(=O)O)N,"InChI=1S/C20H15N3O8S2/c21-12-7-9(5-6-14(12)32(26,27)28)23-13-8-15(33(29,30)31)18(22)17-16(13)19(24)10-3-1-2-4-11(10)20(17)25/h1-8,23H,21-22H2,(H,26,27,28)(H,29,30,31)",ZOHPJXCEVYGLJT-UHFFFAOYSA-N,C20H15N3O8S2,489.5,489.0300568,2.2,224,1010,0,5,11,4,33,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ACID BLUE 129,006397-02-0,23675739,"sodium 1-amino-9,10-dioxo-4-(2,4,6-trimethylanilino)anthracene-2-sulfonate",CC1=CC(=C(C(=C1)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])C.[Na+],"InChI=1S/C23H20N2O5S.Na/c1-11-8-12(2)21(13(3)9-11)25-16-10-17(31(28,29)30)20(24)19-18(16)22(26)14-6-4-5-7-15(14)23(19)27;/h4-10,25H,24H2,1-3H3,(H,28,29,30);/q;+1/p-1",RRETZLLHOMHNNB-UHFFFAOYSA-M,C23H19N2NaO5S,458.5,458.0912372,,138,819,0,2,7,3,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-ANTHRACENEDIONE, 1-HYDROXY-4-[[4-[(METHYLSULFONYL)OXY]PHENYL]AMINO]-",001594-08-7,74132,"[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl] methanesulfonate",CS(=O)(=O)OC1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O,"InChI=1S/C21H15NO6S/c1-29(26,27)28-13-8-6-12(7-9-13)22-16-10-11-17(23)19-18(16)20(24)14-4-2-3-5-15(14)21(19)25/h2-11,22-23H,1H3",NTZOUXAZCADJBZ-UHFFFAOYSA-N,C21H15NO6S,409.4,409.0620084,4.7,118,739,0,2,7,4,29,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
C.I. PIGMENT VIOLET 27,012237-62-6,88001,"1-anilino-4-hydroxyanthracene-9,10-dione",C1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O,"InChI=1S/C20H13NO3/c22-16-11-10-15(21-12-6-2-1-3-7-12)17-18(16)20(24)14-9-5-4-8-13(14)19(17)23/h1-11,21-22H",ZNQIAQXHADXXQI-UHFFFAOYSA-N,C20H13NO3,315.3,315.0895433,5.6,66.4,499,0,2,4,2,24,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-ANTHRACENESULFONIC ACID, 4-[[3-(ACETYLAMINO)PHENYL]AMINO]-1-AMINO-9,10-DIHYD",070571-81-2,23673673,"sodium 4-(3-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonate",CC(=O)NC1=CC=CC(=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+],"InChI=1S/C22H17N3O6S.Na/c1-11(26)24-12-5-4-6-13(9-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-7-2-3-8-15(14)22(19)28;/h2-10,25H,23H2,1H3,(H,24,26)(H,29,30,31);/q;+1/p-1",MIBVDSFVCOIWCC-UHFFFAOYSA-M,C22H16N3NaO6S,473.4,473.0657507,,167,878,0,3,8,4,33,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
1-AMINOPYRENE,001606-67-3,15352,pyren-1-amine,C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)N,"InChI=1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2",YZVWKHVRBDQPMQ-UHFFFAOYSA-N,C16H11N,217.26,217.0891494,4.3,26,300,0,1,1,0,17,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PYRENE-D10,001718-52-1,6912026,"1,2,3,4,5,6,7,8,9,10-decadeuteriopyrene",[2H]C1=C(C2=C3C(=C1[2H])C(=C(C4=C(C(=C(C(=C43)C(=C2[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H],"InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D",BBEAQIROQSPTKN-LHNTUAQVSA-N,C16H10,212.31,212.1410178,4.9,0,217,0,0,0,0,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,6,8-TETRACHLOROPYRENE",000081-29-8,66473,"1,3,6,8-tetrachloropyrene",C1=CC2=C3C(=C(C=C2Cl)Cl)C=CC4=C(C=C(C1=C43)Cl)Cl,InChI=1S/C16H6Cl4/c17-11-5-13(19)9-3-4-10-14(20)6-12(18)8-2-1-7(11)15(9)16(8)10/h1-6H,KNMMEDCCXYQFAX-UHFFFAOYSA-N,C16H6Cl4,340,339.919411,7.5,0,319,0,0,0,0,20,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
1-(BROMOACETYL)PYRENE,080480-15-5,133483,2-bromo-1-pyren-1-ylethanone,C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(=O)CBr,"InChI=1S/C18H11BrO/c19-10-16(20)14-8-6-13-5-4-11-2-1-3-12-7-9-15(14)18(13)17(11)12/h1-9H,10H2",KAEDEGFCOPIKKM-UHFFFAOYSA-N,C18H11BrO,323.2,321.99933,5.5,17.1,393,0,0,1,2,20,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
1-PYRENEBUTYRIC ACID,003443-45-6,76977,4-pyren-1-ylbutanoic acid,C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)O,"InChI=1S/C20H16O2/c21-18(22)6-2-3-13-7-8-16-10-9-14-4-1-5-15-11-12-17(13)20(16)19(14)15/h1,4-5,7-12H,2-3,6H2,(H,21,22)",QXYRRCOJHNZVDJ-UHFFFAOYSA-N,C20H16O2,288.3,288.1150297,5.1,37.3,418,0,1,2,4,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-METHYLPYRENE,002381-21-7,16932,1-methylpyrene,CC1=C2C=CC3=CC=CC4=C3C2=C(C=C1)C=C4,"InChI=1S/C17H12/c1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13/h2-10H,1H3",KBSPJIWZDWBDGM-UHFFFAOYSA-N,C17H12,216.28,216.0939004,5.4,0,294,0,0,0,0,17,,"770 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-HYDROXYPYRENE,005315-79-7,21387,pyren-1-ol,C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)O,"InChI=1S/C16H10O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H",BIJNHUAPTJVVNQ-UHFFFAOYSA-N,C16H10O,218.25,218.0731649,4.6,20.2,300,0,1,1,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-PYRENEBUTANOL,067000-89-9,2762672,4-pyren-1-ylbutan-1-ol,C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCCO,"InChI=1S/C20H18O/c21-13-2-1-4-14-7-8-17-10-9-15-5-3-6-16-11-12-18(14)20(17)19(15)16/h3,5-12,21H,1-2,4,13H2",MRENSFROWALQNU-UHFFFAOYSA-N,C20H18O,274.4,274.1357652,5.3,20.2,352,0,1,1,4,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,6,8-PYRENETETRASULFONIC ACID, TETRASODIUM SALT",059572-10-0,101082,"tetrasodium;pyrene-1,3,6,8-tetrasulfonate",C1=CC2=C3C(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC4=C(C=C(C1=C43)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C16H10O12S4.4Na/c17-29(18,19)11-5-13(31(23,24)25)9-3-4-10-14(32(26,27)28)6-12(30(20,21)22)8-2-1-7(11)15(9)16(8)10;;;;/h1-6H,(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28);;;;/q;4*+1/p-4",UZBIRLJMURQVMX-UHFFFAOYSA-J,C16H6Na4O12S4,610.4,609.8332874,,262,942,0,0,12,0,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,7-DIBROMOPYRENE",102587-98-4,13615479,"2,7-dibromopyrene",C1=CC2=CC(=CC3=C2C4=C(C=C3)C=C(C=C41)Br)Br,InChI=1S/C16H8Br2/c17-13-5-9-1-2-10-6-14(18)8-12-4-3-11(7-13)15(9)16(10)12/h1-8H,IGTQPXMEWQTTBJ-UHFFFAOYSA-N,C16H8Br2,360.04,359.89723,6.4,0,269,0,0,0,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3,6,8-PYRENETETRASULFONIC ACID",006528-53-6,81017,"pyrene-1,3,6,8-tetrasulfonic acid",C1=CC2=C3C(=C(C=C2S(=O)(=O)O)S(=O)(=O)O)C=CC4=C(C=C(C1=C43)S(=O)(=O)O)S(=O)(=O)O,"InChI=1S/C16H10O12S4/c17-29(18,19)11-5-13(31(23,24)25)9-3-4-10-14(32(26,27)28)6-12(30(20,21)22)8-2-1-7(11)15(9)16(8)10/h1-6H,(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)",CZLSHVQVNDDHDQ-UHFFFAOYSA-N,C16H10O12S4,522.5,521.9055104,0,251,995,0,4,12,4,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PYRENE,000129-00-0,31423,pyrene,C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2,InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H,BBEAQIROQSPTKN-UHFFFAOYSA-N,C16H10,202.25,202.0782503,4.9,0,217,0,0,0,0,16,>200.0 °C (>392.0 °F),"759 °F at 760 mmHg (EPA, 1998)",1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
1-NITROPYRENE,005522-43-0,21694,1-nitropyrene,C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)[N+](=O)[O-],InChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,ALRLPDGCPYIVHP-UHFFFAOYSA-N,C16H9NO2,247.25,247.0633285,5,45.8,377,0,0,2,0,19,,,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"1,6-DINITROPYRENE",042397-64-8,39184,"1,6-dinitropyrene",C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3)[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C16H8N2O4/c19-17(20)13-8-4-10-2-6-12-14(18(21)22)7-3-9-1-5-11(13)16(10)15(9)12/h1-8H,GUXACCKTQWVTLG-UHFFFAOYSA-N,C16H8N2O4,292.24,292.0484067,4.7,91.6,442,0,0,4,0,22,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,8-DINITROPYRENE",042397-65-9,39185,"1,8-dinitropyrene",C1=CC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC4=C(C=CC1=C43)[N+](=O)[O-],InChI=1S/C16H8N2O4/c19-17(20)13-7-3-9-1-2-10-4-8-14(18(21)22)12-6-5-11(13)15(9)16(10)12/h1-8H,BLYXNIHKOMELAP-UHFFFAOYSA-N,C16H8N2O4,292.24,292.0484067,4.7,91.6,442,0,0,4,0,22,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-NITROPYRENE,057835-92-4,62134,4-nitropyrene,C1=CC2=C3C(=C1)C=C(C4=CC=CC(=C43)C=C2)[N+](=O)[O-],InChI=1S/C16H9NO2/c18-17(19)14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H,UISKIUIWPSPSAV-UHFFFAOYSA-N,C16H9NO2,247.25,247.0633285,4.9,45.8,377,0,0,2,0,19,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-PYRENEMETHYL METHACRYLATE,086112-79-0,3733478,pyren-1-ylmethyl 2-methylprop-2-enoate,CC(=C)C(=O)OCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1,"InChI=1S/C21H16O2/c1-13(2)21(22)23-12-17-9-8-16-7-6-14-4-3-5-15-10-11-18(17)20(16)19(14)15/h3-11H,1,12H2,2H3",BUQDPCFXOBQDLX-UHFFFAOYSA-N,C21H16O2,300.3,300.1150297,5.7,26.3,482,0,0,2,4,23,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrene, 1-(chloromethyl)-",1086-00-6,97581,1-(chloromethyl)pyrene,C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCl,"InChI=1S/C17H11Cl/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-9H,10H2",MVNXSXOJYGSNQZ-UHFFFAOYSA-N,C17H11Cl,250.7,250.054928,5.4,0,313,0,0,0,1,18,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-Pyrenamine,17075-03-5,119443,pyren-4-amine,C1=CC2=C3C(=C1)C=C(C4=CC=CC(=C43)C=C2)N,"InChI=1S/C16H11N/c17-14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H,17H2",AYBSKADMMKVOIV-UHFFFAOYSA-N,C16H11N,217.26,217.0891494,4.3,26,300,0,1,1,0,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Pyrene, 1,3,6,8-tetranitro-",28767-61-5,34321,"1,3,6,8-tetranitropyrene",C1=CC2=C3C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C=CC4=C(C=C(C1=C43)[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C16H6N4O8/c21-17(22)11-5-13(19(25)26)9-3-4-10-14(20(27)28)6-12(18(23)24)8-2-1-7(11)15(9)16(8)10/h1-6H,KSYXGBHNJOKVIK-UHFFFAOYSA-N,C16H6N4O8,382.24,382.0185632,4.3,183,593,0,0,8,0,28,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DINITROPYRENE",075321-20-9,53230,"1,3-dinitropyrene",C1=CC2=C3C(=C1)C=CC4=C(C=C(C(=C43)C=C2)[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C16H8N2O4/c19-17(20)13-8-14(18(21)22)12-7-5-10-3-1-2-9-4-6-11(13)16(12)15(9)10/h1-8H,KTNUVDBUEAQUON-UHFFFAOYSA-N,C16H8N2O4,292.24,292.0484067,4.7,91.6,446,0,0,4,0,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-PYRENECARBOXALDEHYDE,003029-19-4,232848,pyrene-1-carbaldehyde,C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C=O,InChI=1S/C17H10O/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-10H,RCYFOPUXRMOLQM-UHFFFAOYSA-N,C17H10O,230.26,230.0731649,4.5,17.1,337,0,0,1,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BROMOPYRENE,001714-29-0,159627,1-bromopyrene,C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)Br,InChI=1S/C16H9Br/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,HYGLETVERPVXOS-UHFFFAOYSA-N,C16H9Br,281.15,279.98876,5.7,0,300,0,0,0,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,6-Pyrenediamine",14923-84-3,146178,"pyrene-1,6-diamine",C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3)N)N,"InChI=1S/C16H12N2/c17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12/h1-8H,17-18H2",OWJJRQSAIMYXQJ-UHFFFAOYSA-N,C16H12N2,232.28,232.1000484,3.6,52,297,0,2,2,0,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,3,7,8-TETRACHLORODIBENZOFURAN",051207-31-9,39929,"2,3,7,8-tetrachlorodibenzofuran",C1=C2C3=CC(=C(C=C3OC2=CC(=C1Cl)Cl)Cl)Cl,InChI=1S/C12H4Cl4O/c13-7-1-5-6-2-8(14)10(16)4-12(6)17-11(5)3-9(7)15/h1-4H,KSMVNVHUTQZITP-UHFFFAOYSA-N,C12H4Cl4O,306,305.898675,6.5,13.1,272,0,0,1,0,17,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,3,4,7,8,9-HEPTACHLORODIBENZOFURAN",055673-89-7,41510,"1,2,3,4,7,8,9-heptachlorodibenzofuran",C1=C2C(=C(C(=C1Cl)Cl)Cl)C3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl,InChI=1S/C12HCl7O/c13-2-1-3-4(7(15)6(2)14)5-8(16)9(17)10(18)11(19)12(5)20-3/h1H,VEZCTZWLJYWARH-UHFFFAOYSA-N,C12HCl7O,409.3,407.781758,7.5,13.1,383,0,0,1,0,20,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,3,4,7,8-PENTACHLORODIBENZOFURAN",057117-31-4,42128,"2,3,4,7,8-pentachlorodibenzofuran",C1=C2C3=CC(=C(C(=C3OC2=CC(=C1Cl)Cl)Cl)Cl)Cl,InChI=1S/C12H3Cl5O/c13-6-1-4-5-2-8(15)10(16)11(17)12(5)18-9(4)3-7(6)14/h1-3H,OGBQILNBLMPPDP-UHFFFAOYSA-N,C12H3Cl5O,340.4,339.859703,6.9,13.1,328,0,0,1,0,18,,,1,0,0,1,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,1
"1,2,3,4,8-PENTACHLORODIBENZOFURAN",067517-48-0,49923,"1,2,3,4,8-pentachlorodibenzofuran",C1=CC2=C(C=C1Cl)C3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl,InChI=1S/C12H3Cl5O/c13-4-1-2-6-5(3-4)7-8(14)9(15)10(16)11(17)12(7)18-6/h1-3H,ZCTNDJSCLPJCRA-UHFFFAOYSA-N,C12H3Cl5O,340.4,339.859703,6.4,13.1,328,0,0,1,0,18,,,0,1,0,1,0,1,1,0,0,0,0,0,0,1,0,0,1,0,0,1
"1,2,3,4,7,8-HEXACHLORODIBENZOFURAN",070648-26-9,51130,"1,2,3,4,7,8-hexachlorodibenzofuran",C1=C2C(=CC(=C1Cl)Cl)OC3=C2C(=C(C(=C3Cl)Cl)Cl)Cl,InChI=1S/C12H2Cl6O/c13-4-1-3-6(2-5(4)14)19-12-7(3)8(15)9(16)10(17)11(12)18/h1-2H,LVYBAQIVPKCOEE-UHFFFAOYSA-N,C12H2Cl6O,374.9,373.820731,6.9,13.1,355,0,0,1,0,19,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,3,4,6,7,8-HEPTACHLORODIBENZOFURAN",067562-39-4,38199,"1,2,3,4,6,7,8-heptachlorodibenzofuran",C1=C2C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)OC2=C(C(=C1Cl)Cl)Cl,InChI=1S/C12HCl7O/c13-3-1-2-4-6(15)7(16)8(17)10(19)12(4)20-11(2)9(18)5(3)14/h1H,WDMKCPIVJOGHBF-UHFFFAOYSA-N,C12HCl7O,409.3,407.781758,7.9,13.1,383,0,0,1,0,20,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,3,7,8,9-HEXACHLORODIBENZOFURAN",072918-21-9,51720,"1,2,3,7,8,9-hexachlorodibenzofuran",C1=C2C(=C(C(=C1Cl)Cl)Cl)C3=C(C(=C(C=C3O2)Cl)Cl)Cl,InChI=1S/C12H2Cl6O/c13-3-1-5-7(11(17)9(3)15)8-6(19-5)2-4(14)10(16)12(8)18/h1-2H,PYUSJFJVDVSXIU-UHFFFAOYSA-N,C12H2Cl6O,374.9,373.820731,7.4,13.1,323,0,0,1,0,19,,,1,0,0,1,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,1
"2,8-DICHLORODIBENZOFURAN",005409-83-6,21510,"2,8-dichlorodibenzofuran",C1=CC2=C(C=C1Cl)C3=C(O2)C=CC(=C3)Cl,InChI=1S/C12H6Cl2O/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H,IVVRJIDVYSPKFZ-UHFFFAOYSA-N,C12H6Cl2O,237.08,235.9795702,5.6,13.1,222,0,0,1,0,15,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-BROMODIBENZOFURAN,000086-76-0,6856,2-bromodibenzofuran,C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)Br,InChI=1S/C12H7BrO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H,CRJISNQTZDMKQD-UHFFFAOYSA-N,C12H7BrO,247.09,245.96803,4.8,13.1,218,0,0,1,0,14,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
DIPHENYLENE OXIDE,000132-64-9,568,dibenzofuran,C1=CC=C2C(=C1)C3=CC=CC=C3O2,InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H,TXCDCPKCNAJMEE-UHFFFAOYSA-N,C12H8O,168.19,168.0575149,4.1,13.1,170,0,0,1,0,13,,"549 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-Dibenzofuranamine,3693-22-9,19405,dibenzofuran-2-amine,C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)N,"InChI=1S/C12H9NO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H,13H2",FFYZMBQLAYDJIG-UHFFFAOYSA-N,C12H9NO,183.21,183.0684139,3.4,39.2,218,0,1,2,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-Dibenzofuranamine,4106-66-5,20061,dibenzofuran-3-amine,C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)N,"InChI=1S/C12H9NO/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7H,13H2",GHQCIALFYKYZGS-UHFFFAOYSA-N,C12H9NO,183.21,183.0684139,3.4,39.2,218,0,1,2,0,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Dibenzofuran, 2,7-dinitro-",5408-55-9,94963,"2,7-dinitrodibenzofuran",C1=CC2=C(C=C1[N+](=O)[O-])OC3=C2C=C(C=C3)[N+](=O)[O-],InChI=1S/C12H6N2O5/c15-13(16)7-2-4-11-10(5-7)9-3-1-8(14(17)18)6-12(9)19-11/h1-6H,VVSJARSODDEAAL-UHFFFAOYSA-N,C12H6N2O5,258.19,258.0276713,3.3,105,391,0,0,5,0,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Dibenzofuranamine, 2-methoxy-",5834-17-3,22086,2-methoxydibenzofuran-3-amine,COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)N,"InChI=1S/C13H11NO2/c1-15-13-6-9-8-4-2-3-5-11(8)16-12(9)7-10(13)14/h2-7H,14H2,1H3",SGQVWNYSHWQNOS-UHFFFAOYSA-N,C13H11NO2,213.23,213.0789786,3,48.4,258,0,1,3,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, N-3-dibenzofuranyl-",5834-25-3,22087,N-dibenzofuran-3-ylacetamide,CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3O2,"InChI=1S/C14H11NO2/c1-9(16)15-10-6-7-12-11-4-2-3-5-13(11)17-14(12)8-10/h2-8H,1H3,(H,15,16)",LEHHDJYYMLPGOR-UHFFFAOYSA-N,C14H11NO2,225.24,225.0789786,3.3,42.2,305,0,1,2,1,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Dibenzofuranbutanoic acid, gamma-oxo-",38873-55-1,38117,4-dibenzofuran-2-yl-4-oxobutanoic acid,C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)C(=O)CCC(=O)O,"InChI=1S/C16H12O4/c17-13(6-8-16(18)19)10-5-7-15-12(9-10)11-3-1-2-4-14(11)20-15/h1-5,7,9H,6,8H2,(H,18,19)",LQVMQEYROPXMQH-UHFFFAOYSA-N,C16H12O4,268.26,268.0735589,2.8,67.5,392,0,1,4,4,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Dibenzofuran, 1,3,6,8-tetrachloro-",71998-72-6,51462,"1,3,6,8-tetrachlorodibenzofuran",C1=C(C=C(C2=C1C3=C(O2)C=C(C=C3Cl)Cl)Cl)Cl,InChI=1S/C12H4Cl4O/c13-5-1-7-11-8(15)2-6(14)4-10(11)17-12(7)9(16)3-5/h1-4H,BDXKVABZWRZKOS-UHFFFAOYSA-N,C12H4Cl4O,306,305.898675,6.4,13.1,300,0,0,1,0,17,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Dibenzofuran, 1,2,3,4,6,7-hexachloro-",79060-60-9,54337,"1,2,3,4,6,7-hexachlorodibenzofuran",C1=CC(=C(C2=C1C3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl)Cl)Cl,InChI=1S/C12H2Cl6O/c13-4-2-1-3-5-7(15)8(16)9(17)10(18)12(5)19-11(3)6(4)14/h1-2H,SNWFMKXFMVHBKD-UHFFFAOYSA-N,C12H2Cl6O,374.9,373.820731,7.3,13.1,355,0,0,1,0,19,,,0,1,0,1,0,1,1,0,0,0,0,0,0,1,0,0,1,0,0,1
"1,2,3,4,6,7,8,9-OCTACHLORODIBENZOFURAN",039001-02-0,38200,"1,2,3,4,6,7,8,9-octachlorodibenzofuran",C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)OC3=C2C(=C(C(=C3Cl)Cl)Cl)Cl,InChI=1S/C12Cl8O/c13-3-1-2-4(14)6(16)8(18)10(20)12(2)21-11(1)9(19)7(17)5(3)15,RHIROFAGUQOFLU-UHFFFAOYSA-N,C12Cl8O,443.7,443.739836,8.5,13.1,375,0,0,1,0,21,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,3,6,7,8-HEXACHLORODIBENZOFURAN",057117-44-9,42140,"1,2,3,6,7,8-hexachlorodibenzofuran",C1=C2C3=C(C(=C(C=C3OC2=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,InChI=1S/C12H2Cl6O/c13-4-1-3-7-6(2-5(14)8(15)10(7)17)19-12(3)11(18)9(4)16/h1-2H,JEYJJJXOFWNEHN-UHFFFAOYSA-N,C12H2Cl6O,374.9,373.820731,6.9,13.1,355,0,0,1,0,19,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4,8-TRICHLORODIBENZOFURAN",054589-71-8,41131,"2,4,8-trichlorodibenzofuran",C1=CC2=C(C=C1Cl)C3=C(O2)C(=CC(=C3)Cl)Cl,InChI=1S/C12H5Cl3O/c13-6-1-2-11-8(3-6)9-4-7(14)5-10(15)12(9)16-11/h1-5H,WJURXKWTCOMRCE-UHFFFAOYSA-N,C12H5Cl3O,271.5,269.940598,6.1,13.1,273,0,0,1,0,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,3,7,8-PENTACHLORODIBENZOFURAN",057117-41-6,42138,"1,2,3,7,8-pentachlorodibenzofuran",C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C(=C23)Cl)Cl)Cl,InChI=1S/C12H3Cl5O/c13-5-1-4-8(2-6(5)14)18-9-3-7(15)11(16)12(17)10(4)9/h1-3H,SBMIVUVRFPGOEB-UHFFFAOYSA-N,C12H3Cl5O,340.4,339.859703,6.9,13.1,328,0,0,1,0,18,,,1,0,0,1,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,1
"2,3,4,6,7,8-HEXACHLORODIBENZOFURAN",060851-34-5,43495,"2,3,4,6,7,8-hexachlorodibenzofuran",C1=C2C3=CC(=C(C(=C3OC2=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,InChI=1S/C12H2Cl6O/c13-5-1-3-4-2-6(14)8(16)10(18)12(4)19-11(3)9(17)7(5)15/h1-2H,XTAHLACQOVXINQ-UHFFFAOYSA-N,C12H2Cl6O,374.9,373.820731,7.1,13.1,323,0,0,1,0,19,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-DIOXOLANE, 2-ETHYL-2-METHYL-",000126-39-6,61067,"2-ethyl-2-methyl-1,3-dioxolane",CCC1(OCCO1)C,"InChI=1S/C6H12O2/c1-3-6(2)7-4-5-8-6/h3-5H2,1-2H3",UPZFLZYXYGBAPL-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,1,18.5,74,0,0,2,1,8,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIOXOLANE, 2-METHYL-",000497-26-7,10342,"2-methyl-1,3-dioxolane",CC1OCCO1,"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3",HTWIZMNMTWYQRN-UHFFFAOYSA-N,C4H8O2,88.11,88.05242949,0.2,18.5,38,0,0,2,0,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"1,3-DIOXOLANE",000646-06-0,12586,"1,3-dioxolane",C1COCO1,InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2,WNXJIVFYUVYPPR-UHFFFAOYSA-N,C3H6O2,74.08,74.03677943,-0.4,18.5,24,0,0,2,0,5,35 °F (2 °C) (Open cup),78 °C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,3-DIOXOLANE, 4-METHYL-2-(2-METHYLPROPYL)-",018433-93-7,86733,"4-methyl-2-(2-methylpropyl)-1,3-dioxolane",CC1COC(O1)CC(C)C,"InChI=1S/C8H16O2/c1-6(2)4-8-9-5-7(3)10-8/h6-8H,4-5H2,1-3H3",PDVLTWPJDBXATJ-UHFFFAOYSA-N,C8H16O2,144.21,144.1150297,2,18.5,101,0,0,2,2,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"(S)-2,2-DIMETHYL-1,3-DIOXOLANE-4-METHANOL",022323-82-6,736057,"[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol",CC1(OC[C@@H](O1)CO)C,"InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3/t5-/m0/s1",RNVYQYLELCKWAN-YFKPBYRVSA-N,C6H12O3,132.16,132.0786442,-0.2,38.7,100,0,1,3,1,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-(2-BROMOETHYL)-1,3-DIOXOLANE",018742-02-4,87776,"2-(2-bromoethyl)-1,3-dioxolane",C1COC(O1)CCBr,"InChI=1S/C5H9BrO2/c6-2-1-5-7-3-4-8-5/h5H,1-4H2",GGZQLTVZPOGLCC-UHFFFAOYSA-N,C5H9BrO2,181.03,179.97859,1,18.5,61,0,0,2,2,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIOXOLANE, 2-HEXYL-4,5-DIMETHYL-",006454-22-4,94886,"2-hexyl-4,5-dimethyl-1,3-dioxolane",CCCCCCC1OC(C(O1)C)C,"InChI=1S/C11H22O2/c1-4-5-6-7-8-11-12-9(2)10(3)13-11/h9-11H,4-8H2,1-3H3",MTNLKAOONWIMIT-UHFFFAOYSA-N,C11H22O2,186.29,186.1619799,3.6,18.5,126,0,0,2,5,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2-DIMETHYL-1,3-DIOXOLANE-4-METHANOL",000100-79-8,7528,"(2,2-dimethyl-1,3-dioxolan-4-yl)methanol",CC1(OCC(O1)CO)C,"InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3",RNVYQYLELCKWAN-UHFFFAOYSA-N,C6H12O3,132.16,132.0786442,-0.2,38.7,100,0,1,3,1,9,80 °C c.c.,188-189 °C,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"4-(2-HYDROXYETHYL)-2,2-DIMETHYL-1,3-DIOXOLANE",005754-34-7,4219754,"2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanol",CC1(OCC(O1)CCO)C,"InChI=1S/C7H14O3/c1-7(2)9-5-6(10-7)3-4-8/h6,8H,3-5H2,1-2H3",YYEZYENJAMOWHW-UHFFFAOYSA-N,C7H14O3,146.18,146.0942943,0.2,38.7,111,0,1,3,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIOXOLANE, 2-(BROMOMETHYL)-",004360-63-8,78068,"2-(bromomethyl)-1,3-dioxolane",C1COC(O1)CBr,"InChI=1S/C4H7BrO2/c5-3-4-6-1-2-7-4/h4H,1-3H2",CKIIJIDEWWXQEA-UHFFFAOYSA-N,C4H7BrO2,167,165.96294,0.6,18.5,51,0,0,2,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIOXOLANE, 2-HEXYL-",001708-34-5,74360,"2-hexyl-1,3-dioxolane",CCCCCCC1OCCO1,"InChI=1S/C9H18O2/c1-2-3-4-5-6-9-10-7-8-11-9/h9H,2-8H2,1H3",DDSSJDFXTAYRNO-UHFFFAOYSA-N,C9H18O2,158.24,158.1306798,2.7,18.5,87,0,0,2,5,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,3-Dioxolane-4-methanol, 2,2-diisopropyl-",470-43-9,10105,"[2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]methanol",CC(C)C1(OCC(O1)CO)C(C)C,"InChI=1S/C10H20O3/c1-7(2)10(8(3)4)12-6-9(5-11)13-10/h7-9,11H,5-6H2,1-4H3",HHFOOWPWAXNJNY-UHFFFAOYSA-N,C10H20O3,188.26,188.1412445,1.7,38.7,158,0,1,3,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Dioxolane, 2,2-bis(trifluoromethyl)-",1765-26-0,120560,"2,2-bis(trifluoromethyl)-1,3-dioxolane",C1COC(O1)(C(F)(F)F)C(F)(F)F,"InChI=1S/C5H4F6O2/c6-4(7,8)3(5(9,10)11)12-1-2-13-3/h1-2H2",PQNNUQKDERZMPQ-UHFFFAOYSA-N,C5H4F6O2,210.07,210.0115483,1.9,18.5,172,0,0,8,0,13,,,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0
"1,3-Dioxolane, 2,2-bis(trifluoromethyl)-4,5-dichloro-4,5-difluoro-",60644-92-0,162919,"4,5-dichloro-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane",C1(C(OC(O1)(C(F)(F)F)C(F)(F)F)(F)Cl)(F)Cl,"InChI=1S/C5Cl2F8O2/c6-2(8)3(7,9)17-1(16-2,4(10,11)12)5(13,14)15",PQTSJAIWJYMBOX-UHFFFAOYSA-N,C5Cl2F8O2,314.94,313.9147599,3.9,18.5,297,0,0,10,0,17,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,3-Dioxolane, 4-methyl-2-((1E)-1-pentenyl)-",94089-21-1,5370364,"4-methyl-2-[(E)-pent-1-enyl]-1,3-dioxolane",CCC/C=C/C1OCC(O1)C,"InChI=1S/C9H16O2/c1-3-4-5-6-9-10-7-8(2)11-9/h5-6,8-9H,3-4,7H2,1-2H3/b6-5+",WMWBRDXHCMVBJG-AATRIKPKSA-N,C9H16O2,156.22,156.1150297,2.1,18.5,132,0,0,2,3,11,,,0,1,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0
"Acetic acid, 2,2-difluoro-2-((2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl)oxy)-, ammonium salt",1190931-27-1,154735201,"azanium 2,2-difluoro-2-[[2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy]acetate",C(=O)(C(OC1(C(OC(O1)(F)F)(OC(F)(F)F)F)F)(F)F)[O-].[NH4+],"InChI=1S/C6HF9O6.H3N/c7-2(8,1(16)17)18-3(9)4(10,19-5(11,12)13)21-6(14,15)20-3;/h(H,16,17);1H3",JVXDZDPWHUBMPI-UHFFFAOYSA-N,C6H4F9NO6,357.08,356.9894903,,78.1,431,0,1,15,3,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,0
"2-VINYL-1,3-DIOXOLANE",003984-22-3,77603,"2-ethenyl-1,3-dioxolane",C=CC1OCCO1,"InChI=1S/C5H8O2/c1-2-5-6-3-4-7-5/h2,5H,1,3-4H2",KKBHSBATGOQADJ-UHFFFAOYSA-N,C5H8O2,100.12,100.0524295,0.5,18.5,64,0,0,2,1,7,,,0,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIOXOLANE, 4-METHYL-",001072-47-5,66119,"4-methyl-1,3-dioxolane",CC1COCO1,"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3",SBUOHGKIOVRDKY-UHFFFAOYSA-N,C4H8O2,88.11,88.05242949,0.2,18.5,44,0,0,2,0,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,3-DIOXOLANE, 4-(CHLOROMETHYL)-2,2-DIMETHYL-",004362-40-7,20374,"4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane",CC1(OCC(O1)CCl)C,"InChI=1S/C6H11ClO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4H2,1-2H3",BNPOTXLWPZOESZ-UHFFFAOYSA-N,C6H11ClO2,150.6,150.0447573,1.1,18.5,103,0,0,2,1,9,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,3-DIOXOLANE, 2-(CHLOROMETHYL)-",002568-30-1,75727,"2-(chloromethyl)-1,3-dioxolane",C1COC(O1)CCl,"InChI=1S/C4H7ClO2/c5-3-4-6-1-2-7-4/h4H,1-3H2",IKZOMJGRWIOEDP-UHFFFAOYSA-N,C4H7ClO2,122.55,122.0134572,0.5,18.5,51,0,0,2,1,7,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"(R)-(-)-2,2-DIMETHYL-1,3-DIOXOLANE-4-METHANOL",014347-78-5,736056,"[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol",CC1(OC[C@H](O1)CO)C,"InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3/t5-/m1/s1",RNVYQYLELCKWAN-RXMQYKEDSA-N,C6H12O3,132.16,132.0786442,-0.2,38.7,100,0,1,3,1,9,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,3-Dioxolane-4-methanol",005464-28-8,21618,"1,3-dioxolan-4-ylmethanol",C1C(OCO1)CO,"InChI=1S/C4H8O3/c5-1-4-2-6-3-7-4/h4-5H,1-3H2",BOHGAOWOIJMTPZ-UHFFFAOYSA-N,C4H8O3,104.1,104.0473441,-0.8,38.7,54,0,1,3,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
CYCLOPENTANONE,000120-92-3,8452,cyclopentanone,C1CCC(=O)C1,InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2,BGTOWKSIORTVQH-UHFFFAOYSA-N,C5H8O,84.12,84.05751487,0.4,17.1,58,0,0,1,0,6,"86 °F (NTP, 1992)","267.17 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"CYCLOPENTANONE, 2,4,4-TRIMETHYL-",004694-12-6,107324,"2,4,4-trimethylcyclopentan-1-one",CC1CC(CC1=O)(C)C,"InChI=1S/C8H14O/c1-6-4-8(2,3)5-7(6)9/h6H,4-5H2,1-3H3",OXTQEWUBDTVSFB-UHFFFAOYSA-N,C8H14O,126.2,126.1044651,1.8,17.1,136,0,0,1,0,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"CYCLOPENTANONE, 2,2,4-TRIMETHYL-",028056-54-4,119632,"2,2,4-trimethylcyclopentan-1-one",CC1CC(=O)C(C1)(C)C,"InChI=1S/C8H14O/c1-6-4-7(9)8(2,3)5-6/h6H,4-5H2,1-3H3",PJXIBUIXCXSNCM-UHFFFAOYSA-N,C8H14O,126.2,126.1044651,1.8,17.1,136,0,0,1,0,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Prosta-2,13-dien-1-oic acid, 11,15-dihydroxy-16,16-dimethyl-9-oxo-, methyl est",064318-79-2,5282237,"methyl (E)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-2-enoate",CCCCC(C)(C)[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCC/C=C/C(=O)OC)O)O,"InChI=1S/C23H38O5/c1-5-6-15-23(2,3)21(26)14-13-18-17(19(24)16-20(18)25)11-9-7-8-10-12-22(27)28-4/h10,12-14,17-18,20-21,25-26H,5-9,11,15-16H2,1-4H3/b12-10+,14-13+/t17-,18-,20-,21-/m1/s1",KYBOHGVERHWSSV-VNIVIJDLSA-N,C23H38O5,394.5,394.2719243,4.2,83.8,549,0,2,5,13,28,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
PROSTAGLANDIN E2,000363-24-6,5280360,"(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid",CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)O,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1",XEYBRNLFEZDVAW-ARSRFYASSA-N,C20H32O5,352.5,352.2249741,2.8,94.8,469,0,3,5,12,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"CYCLOPENTANONE, 2-ACETYL-",001670-46-8,98471,2-acetylcyclopentan-1-one,CC(=O)C1CCCC1=O,"InChI=1S/C7H10O2/c1-5(8)6-3-2-4-7(6)9/h6H,2-4H2,1H3",OSWDNIFICGLKEE-UHFFFAOYSA-N,C7H10O2,126.15,126.0680796,0.3,34.1,149,0,0,2,1,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Prosta-5,13-dien-1-oic acid, 11,15-dihydroxy-16,16-dimethyl-9-oxo-, (5Z,11-alp",039746-25-3,5283066,"(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid",CCCCC(C)(C)[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)O,"InChI=1S/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17-,19-,20-/m1/s1",QAOBBBBDJSWHMU-WMBBNPMCSA-N,C22H36O5,380.5,380.2562742,3.7,94.8,535,0,3,5,12,27,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
METHYL EPI-JASMONATE,039924-52-2,5367719,methyl 2-[3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate,CC/C=C/CC1C(CCC1=O)CC(=O)OC,"InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4+",GEWDNTWNSAZUDX-SNAWJCMRSA-N,C13H20O3,224.3,224.1412445,1.9,43.4,281,0,0,3,6,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
METHYL JASMONATE (MIXTURE OF ISOMERS),1101843-02-0,5319693,methyl 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate,CC/C=C\CC1C(CCC1=O)CC(=O)OC,"InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-",GEWDNTWNSAZUDX-PLNGDYQASA-N,C13H20O3,224.3,224.1412445,1.9,43.4,281,0,0,3,6,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOPENTANEACETIC ACID, 3-OXO-2-(2-PENTENYL)-, METHYL ESTER, [1R-[1.ALPHA.,2.",001211-29-6,5281929,"methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate",CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)OC,"InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m1/s1",GEWDNTWNSAZUDX-WQMVXFAESA-N,C13H20O3,224.3,224.1412445,1.9,43.4,281,0,0,3,6,16,> 113 degrees C (> 235 degrees F) - closed cup,BP: 110 °C at 0.2 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOPENTANEACETIC ACID, 3-OXO-2-(2-PENTENYL)-, METHYL ESTER, [1.ALPHA.,2.BETA",020073-13-6,62388,methyl 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate,CCC=CCC1C(CCC1=O)CC(=O)OC,"InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3",GEWDNTWNSAZUDX-UHFFFAOYSA-N,C13H20O3,224.3,224.1412445,1.9,43.4,281,0,0,3,6,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOPENTANONE, 2-CHLORO-",000694-28-0,12751,2-chlorocyclopentan-1-one,C1CC(C(=O)C1)Cl,"InChI=1S/C5H7ClO/c6-4-2-1-3-5(4)7/h4H,1-3H2",AXDZFGRFZOQVBV-UHFFFAOYSA-N,C5H7ClO,118.56,118.0185425,1.1,17.1,90,0,0,1,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOPENTANONE, 2-(3,7-DIMETHYL-2,6-OCTADIENYL)-",068133-79-9,6437428,"2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one",CC(=CCC/C(=C/CC1CCCC1=O)/C)C,"InChI=1S/C15H24O/c1-12(2)6-4-7-13(3)10-11-14-8-5-9-15(14)16/h6,10,14H,4-5,7-9,11H2,1-3H3/b13-10+",ZNSALEJHPSBXDK-JLHYYAGUSA-N,C15H24O,220.35,220.1827154,4.2,17.1,293,0,0,1,5,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOPENTANONE, 2-HEXYL-",013074-65-2,114454,2-hexylcyclopentan-1-one,CCCCCCC1CCCC1=O,"InChI=1S/C11H20O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h10H,2-9H2,1H3",JTHVYOIHZNYRCC-UHFFFAOYSA-N,C11H20O,168.28,168.1514153,3.5,17.1,140,0,0,1,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopentaneheptanoic acid, 3-hydroxy-2-(3-hydroxy-1-octenyl)-5-oxo-, l-",000745-65-3,5280723,"7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid",CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1",GMVPRGQOIOIIMI-DWKJAMRDSA-N,C20H34O5,354.5,354.2406242,3.2,94.8,432,0,3,5,13,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
MISOPROSTOL,059122-46-2,5282381,"methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoate",CCCCC(C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OC)O)O,"InChI=1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3/b12-10+/t17-,18-,20-,22?/m1/s1",OJLOPKGSLYJEMD-URPKTTJQSA-N,C22H38O5,382.5,382.2719243,3.7,83.8,487,0,2,5,14,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"CYCLOPENTANONE, 2-HEPTYL-",000137-03-1,8710,2-heptylcyclopentan-1-one,CCCCCCCC1CCCC1=O,"InChI=1S/C12H22O/c1-2-3-4-5-6-8-11-9-7-10-12(11)13/h11H,2-10H2,1H3",PJXHBTZLHITWFX-UHFFFAOYSA-N,C12H22O,182.3,182.1670653,4,17.1,151,0,0,1,6,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"Prost-2,13-dien-1-oic acid, 11,15-dihydroxy-17,20-dimethyl-9-oxo-, (2E,11-alpha,13E,15S,17S)-",74397-12-9,6438378,"(E)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]hept-2-enoic acid",CCCC[C@H](C)C[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCC/C=C/C(=O)O)O)O,"InChI=1S/C22H36O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h8,11-13,16-19,21,23,25H,3-7,9-10,14-15H2,1-2H3,(H,26,27)/b11-8+,13-12+/t16-,17+,18+,19+,21+/m0/s1",OJZYRQPMEIEQFC-UAWLTFRCSA-N,C22H36O5,380.5,380.2562742,4.1,94.8,511,0,3,5,13,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Prosta-5,13-dien-1-amide, 11,15-dihydroxy-N-(2-hydroxyethyl)-9-oxo-, (5Z,11-alpha,13E,15S)-",194935-38-1,5283119,"(Z)-N-(2-hydroxyethyl)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enamide",CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)NCCO)O)O,"InChI=1S/C22H37NO5/c1-2-3-6-9-17(25)12-13-19-18(20(26)16-21(19)27)10-7-4-5-8-11-22(28)23-14-15-24/h4,7,12-13,17-19,21,24-25,27H,2-3,5-6,8-11,14-16H2,1H3,(H,23,28)/b7-4-,13-12+/t17-,18+,19+,21+/m0/s1",GKKWUSPPIQURFM-IGDGGSTLSA-N,C22H37NO5,395.5,395.2671733,1.9,107,517,0,4,5,14,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
1-METHYLCYCLOPENTENE,000693-89-0,12746,1-methylcyclopentene,CC1=CCCC1,"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3",ATQUFXWBVZUTKO-UHFFFAOYSA-N,C6H10,82.14,82.07825032,1.8,0,70,0,0,0,0,6,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
CYCLOPENTENE,000142-29-0,8882,cyclopentene,C1CC=CC1,"InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2",LPIQUOYDBNQMRZ-UHFFFAOYSA-N,C5H8,68.12,68.06260026,1.9,0,38,0,0,0,0,5,"-30 °F (USCG, 1999)","112 °F at 760 mmHg (USCG, 1999)",0,1,0,1,1,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"SILANE, (1-CYCLOPENTEN-1-YLOXY)TRIMETHYL-",019980-43-9,88326,cyclopenten-1-yloxy(trimethyl)silane,C[Si](C)(C)OC1=CCCC1,"InChI=1S/C8H16OSi/c1-10(2,3)9-8-6-4-5-7-8/h6H,4-5,7H2,1-3H3",UBMYYGXGMPGCBO-UHFFFAOYSA-N,C8H16OSi,156.3,156.0970417,,9.2,144,0,0,1,2,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"CYCLOPENTENE, 1,2-DICHLORO-3,3,4,4,5,5-HEXAFLUORO-",000706-79-6,12815,"1,2-dichloro-3,3,4,4,5,5-hexafluorocyclopentene",C1(=C(C(C(C1(F)F)(F)F)(F)F)Cl)Cl,"InChI=1S/C5Cl2F6/c6-1-2(7)4(10,11)5(12,13)3(1,8)9",ABPBVCKGWWGZDP-UHFFFAOYSA-N,C5Cl2F6,244.95,243.9281244,3.1,0,255,0,0,6,0,13,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-CYCLOPENTENE-1-ACETIC ACID, 2-ETHYLBUTYL ESTER",068092-41-1,106571,2-ethylbutyl 2-(cyclopenten-1-yl)acetate,CCC(CC)COC(=O)CC1=CCCC1,"InChI=1S/C13H22O2/c1-3-11(4-2)10-15-13(14)9-12-7-5-6-8-12/h7,11H,3-6,8-10H2,1-2H3",CSJDIMDBOKPNRB-UHFFFAOYSA-N,C13H22O2,210.31,210.1619799,3.3,26.3,227,0,0,2,7,15,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CYCLOPENT-2-ENE-1-CARBOXYLIC ACID,002348-89-2,549171,cyclopent-2-ene-1-carboxylic acid,C1CC(C=C1)C(=O)O,"InChI=1S/C6H8O2/c7-6(8)5-3-1-2-4-5/h1,3,5H,2,4H2,(H,7,8)",MOMBAXHNIPLMSI-UHFFFAOYSA-N,C6H8O2,112.13,112.0524295,1,37.3,126,0,1,2,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-CYCLOPENTENE-1-ACETONITRILE, 2,2,3-TRIMETHYL-",015373-31-6,85833,"2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetonitrile",CC1=CCC(C1(C)C)CC#N,"InChI=1S/C10H15N/c1-8-4-5-9(6-7-11)10(8,2)3/h4,9H,5-6H2,1-3H3",YYJOTFQPYNOYAB-UHFFFAOYSA-N,C10H15N,149.23,149.1204495,2.1,23.8,227,0,0,1,1,11,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-BUTEN-1-OL, 2-METHYL-4-(2,2,3-TRIMETHYL-3-CYCLOPENTEN-1-YL)-",028219-60-5,119897,"2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol",CC1=CCC(C1(C)C)CC=C(C)CO,"InChI=1S/C13H22O/c1-10(9-14)5-7-12-8-6-11(2)13(12,3)4/h5-6,12,14H,7-9H2,1-4H3",MTVBNJVZZAQKRV-UHFFFAOYSA-N,C13H22O,194.31,194.1670653,3.1,20.2,258,0,1,1,3,14,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-PENTEN-2-OL, 3-METHYL-5-(2,2,3-TRIMETHYL-3-CYCLOPENTEN-1-YL)-",068480-04-6,6437460,"(E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-ol",CC1=CCC(C1(C)C)C/C=C(\C)/C(C)O,"InChI=1S/C14H24O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h6-7,12-13,15H,8-9H2,1-5H3/b10-6+",SYSAACBNNCUINP-UXBLZVDNSA-N,C14H24O,208.34,208.1827154,3.5,20.2,284,0,1,1,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-CYCLOPENTENE-1-BUTANOL, .BETA.,2,2,3-TETRAMETHYL-",072089-08-8,166220,"2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)butan-1-ol",CC1=CCC(C1(C)C)CCC(C)CO,"InChI=1S/C13H24O/c1-10(9-14)5-7-12-8-6-11(2)13(12,3)4/h6,10,12,14H,5,7-9H2,1-4H3",CYVGAJHMMVDTDZ-UHFFFAOYSA-N,C13H24O,196.33,196.1827154,3.4,20.2,215,0,1,1,4,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
".ALPHA.,.BETA.,2,2,3-PENTAMETHYL-3-CYCLOPENTENE-1-BUTANOL",065113-99-7,103212,"3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-ol",CC1=CCC(C1(C)C)CCC(C)C(C)O,"InChI=1S/C14H26O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h7,10,12-13,15H,6,8-9H2,1-5H3",NGYMOTOXXHCHOC-UHFFFAOYSA-N,C14H26O,210.36,210.1983654,3.9,20.2,240,0,1,1,4,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"4-PENTEN-2-ONE, 3-METHYL-5-(2,2,3-TRIMETHYL-3-CYCLOPENTEN-1-YL)-",067801-15-4,6437264,"(Z)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-one",CC1=CCC(C1(C)C)/C=C\C(C)C(=O)C,"InChI=1S/C14H22O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h6-8,10,13H,9H2,1-5H3/b8-6-",WPDAGRUACGXJJP-VURMDHGXSA-N,C14H22O,206.32,206.1670653,3.1,17.1,307,0,0,1,3,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopentene, 3-chloro-",96-40-2,7297,3-chlorocyclopentene,C1CC(C=C1)Cl,"InChI=1S/C5H7Cl/c6-5-3-1-2-4-5/h1,3,5H,2,4H2",LPSWJRSLXCPGBK-UHFFFAOYSA-N,C5H7Cl,102.56,102.0236279,1.9,0,66,0,0,0,0,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Cyclopentene, 3,3,4,4,5,5-hexafluoro-",1005-73-8,11309822,"3,3,4,4,5,5-hexafluorocyclopentene",C1=CC(C(C1(F)F)(F)F)(F)F,"InChI=1S/C5H2F6/c6-3(7)1-2-4(8,9)5(3,10)11/h1-2H",FHQKLIHFKVAEEP-UHFFFAOYSA-N,C5H2F6,176.06,176.006069,2.4,0,183,0,0,6,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-Cyclopentene-1-carboxylic acid,1560-11-8,95964,cyclopentene-1-carboxylic acid,C1CC=C(C1)C(=O)O,"InChI=1S/C6H8O2/c7-6(8)5-3-1-2-4-5/h3H,1-2,4H2,(H,7,8)",PYRZPBDTPRQYKG-UHFFFAOYSA-N,C6H8O2,112.13,112.0524295,1.2,37.3,135,0,1,2,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Cyclopentenecarbonitrile, 2-amino-",2941-23-3,287275,2-aminocyclopentene-1-carbonitrile,C1CC(=C(C1)N)C#N,"InChI=1S/C6H8N2/c7-4-5-2-1-3-6(5)8/h1-3,8H2",NSMYBPIHVACKQG-UHFFFAOYSA-N,C6H8N2,108.14,108.0687483,0.8,49.8,170,0,1,2,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-Cyclopenten-1-ol,3212-60-0,220164,cyclopent-2-en-1-ol,C1CC(C=C1)O,"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2",PSBABBDEUFNFKJ-UHFFFAOYSA-N,C5H8O,84.12,84.05751487,0.6,20.2,66,0,1,1,0,6,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-Cyclopentene-1-methanol, 2-((4-piperidinyl)thio)-, hydrochloride",165197-60-4,11051584,cyclopenten-1-ylmethanol,C1CC=C(C1)CO,"InChI=1S/C6H10O/c7-5-6-3-1-2-4-6/h3,7H,1-2,4-5H2",WJDFLCXFDSYKID-UHFFFAOYSA-N,C6H10O,98.14,98.07316494,0.6,20.2,84,0,1,1,1,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"3-Cyclopentene-1-carboxylic acid, 1-hydroxy-3-methoxy-2,2,4-trimethyl-5-oxo-, methyl ester, (1S)-",,853756,cyclopent-3-ene-1-carboxylic acid,C1C=CCC1C(=O)O,"InChI=1S/C6H8O2/c7-6(8)5-3-1-2-4-5/h1-2,5H,3-4H2,(H,7,8)",XVSYDLITVYBCBD-UHFFFAOYSA-N,C6H8O2,112.13,112.0524295,0.9,37.3,118,0,1,2,1,8,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1
"3-CYCLOPENTENE-1-ACETALDEHYDE, 2,2,3-TRIMETHYL-",004501-58-0,1252759,"2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde",CC1=CC[C@@H](C1(C)C)CC=O,"InChI=1S/C10H16O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,7,9H,5-6H2,1-3H3/t9-/m1/s1",OGCGGWYLHSJRFY-SECBINFHSA-N,C10H16O,152.23,152.1201151,1.9,17.1,189,0,0,1,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
OCTAFLUOROCYCLOPENTENE,000559-40-0,11212,"1,2,3,3,4,4,5,5-octafluorocyclopentene",C1(=C(C(C(C1(F)F)(F)F)(F)F)F)F,"InChI=1S/C5F8/c6-1-2(7)4(10,11)5(12,13)3(1,8)9",YBMDPYAEZDJWNY-UHFFFAOYSA-N,C5F8,212.04,211.9872253,2.1,0,248,0,0,8,0,13,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-PENTEN-2-OL, 3-METHYL-5-(2,2,3-TRIMETHYL-3-CYCLOPENTEN-1-YL)-",067801-20-1,6437266,"(Z)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol",CC1=CCC(C1(C)C)/C=C\C(C)C(C)O,"InChI=1S/C14H24O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h6-8,10,12-13,15H,9H2,1-5H3/b8-6-",RNLHVODSMDJCBR-VURMDHGXSA-N,C14H24O,208.34,208.1827154,3.3,20.2,273,0,1,1,3,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopentene, octachloro-",706-78-5,12814,"1,2,3,3,4,4,5,5-octachlorocyclopentene",C1(=C(C(C(C1(Cl)Cl)(Cl)Cl)(Cl)Cl)Cl)Cl,"InChI=1S/C5Cl8/c6-1-2(7)4(10,11)5(12,13)3(1,8)9",DMZRCHJVWAKCAX-UHFFFAOYSA-N,C5Cl8,343.7,343.744921,4.6,0,248,0,0,0,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
HEROIN HYDROCHLORIDE,001502-95-0,9844225,"[(4R,4aR,7S,7aR,12bS)-9-acetyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate;hydrochloride",CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC(=O)C)CCN3C.Cl,"InChI=1S/C21H23NO5.ClH/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20;/h4-7,14-15,17,20H,8-10H2,1-3H3;1H/t14-,15+,17-,20-,21-;/m0./s1",FZJYQGFGNHGSFX-PVQKIFDLSA-N,C21H24ClNO5,405.9,405.1343006,,65.1,692,0,1,6,4,28,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
NORMORPHINE,000466-97-7,5462508,"(4R,4aR,7S,7aR,12bS)-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol",C1CN[C@@H]2CC3=C4[C@@]15[C@H]2C=C[C@@H]([C@@H]5OC4=C(C=C3)O)O,"InChI=1S/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2/t9-,10+,12-,15-,16-/m0/s1",ONBWJWYUHXVEJS-ZTYRTETDSA-N,C16H17NO3,271.31,271.1208434,0.3,61.7,467,0,3,4,0,20,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, hydrochloride, (5-alph",000052-26-6,5464110,"(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;hydrochloride",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.Cl,"InChI=1S/C17H19NO3.ClH/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H/t10-,11+,13-,16-,17-;/m0./s1",XCKKIKBIPZJUET-VYKNHSEDSA-N,C17H20ClNO3,321.8,321.1131712,,52.9,494,0,3,4,0,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,1,0,1,1,0,1
CODEINE PHOSPHATE,000052-28-8,5359227,"(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;phosphoric acid",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.OP(=O)(O)O,"InChI=1S/C18H21NO3.H3O4P/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;1-5(2,3)4/h3-6,11-13,17,20H,7-9H2,1-2H3;(H3,1,2,3,4)/t11-,12+,13-,17-,18-;/m0./s1",WUXLCJZUUHIXFY-FFHNEAJVSA-N,C18H24NO7P,397.4,397.1290391,,120,558,0,4,8,1,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0
"Morphinan-6-alpha-ol, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-, hydr",001422-07-7,15984075,"(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;hydrochloride",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.Cl,"InChI=1S/C18H21NO3.ClH/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;/h3-6,11-13,17,20H,7-9H2,1-2H3;1H/t11-,12+,13-,17-,18-;/m0./s1",NUXLENPAZQNFAM-FFHNEAJVSA-N,C18H22ClNO3,335.8,335.1288213,,41.9,509,0,2,4,1,23,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,1,0,0,1,0,0
"CODEINE (MORPHINE METHYL ESTER, METHYL MORPHINE)",006059-47-8,5362471,"(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;hydrate",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.O,"InChI=1S/C18H21NO3.H2O/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;/h3-6,11-13,17,20H,7-9H2,1-2H3;1H2/t11-,12+,13-,17-,18-;/m0./s1",WRRSFOZOETZUPG-FFHNEAJVSA-N,C18H23NO4,317.4,317.1627082,,42.9,509,0,2,5,1,23,,,0,0,1,1,0,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0
ETHYLMORPHINE (DIONIN),000076-58-4,5359271,"(4R,4aR,7S,7aR,12bS)-9-ethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol",CCOC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4C)[C@@H](O2)[C@H](C=C5)O)C=C1,"InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1",OGDVEMNWJVYAJL-LEPYJNQMSA-N,C19H23NO3,313.4,313.1677936,1.5,41.9,523,0,1,4,2,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CODEINE-D3 HYDROCHLORIDE,070420-71-2,11066604,"(4R,4aR,7S,7aR,12bS)-9-methoxy-3-(trideuteriomethyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol",[2H]C([2H])([2H])N1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O,"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1/i1D3",OROGSEYTTFOCAN-SBGSAQJDSA-N,C18H21NO3,302.4,302.1709738,1.1,41.9,509,0,1,4,1,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
NORCODEINE HYDROCHLORIDE,,60196311,"(4R,4aR,7S,7aR,12bS)-9-methoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;hydrochloride",COC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4)[C@@H](O2)[C@H](C=C5)O)C=C1.Cl,"InChI=1S/C17H19NO3.ClH/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16;/h2-5,10-12,16,18-19H,6-8H2,1H3;1H/t10-,11+,12-,16-,17-;/m0./s1",PNRHAWADPSUWEX-GBWBWFAWSA-N,C17H20ClNO3,321.8,321.1131712,,50.7,481,0,3,4,1,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Morphinan-6-alpha-ol, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-, hydrobromide",125-25-7,5464192,"(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;hydrobromide",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.Br,"InChI=1S/C18H21NO3.BrH/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;/h3-6,11-13,17,20H,7-9H2,1-2H3;1H/t11-,12+,13-,17-,18-;/m0./s1",XOXNTPXYPCJBHI-FFHNEAJVSA-N,C18H22BrNO3,380.3,379.07831,,41.9,509,0,2,4,1,23,,,0,0,1,1,0,0,1,1,0,0,0,0,0,1,1,0,0,1,0,1
"Morphinan-6-alpha-ol, 7,8-didehydro-4,5-alpha-epoxy-3-ethoxy-17-methyl-, hydrochloride",125-30-4,5360692,"(4R,4aR,7S,7aR,12bS)-9-ethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;hydrochloride",CCOC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4C)[C@@H](O2)[C@H](C=C5)O)C=C1.Cl,"InChI=1S/C19H23NO3.ClH/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18;/h4-7,12-14,18,21H,3,8-10H2,1-2H3;1H/t12-,13+,14-,18-,19-;/m0./s1",ZPPBASOODYCKDP-YZZSNFJZSA-N,C19H24ClNO3,349.8,349.1444713,,41.9,523,0,2,4,2,24,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,1,0,1,1,0,0
"Morphinan-6-alpha-ol, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-",467-15-2,9925873,"(4R,4aR,7S,7aR,12bS)-9-methoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol",COC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4)[C@@H](O2)[C@H](C=C5)O)C=C1,"InChI=1S/C17H19NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2-5,10-12,16,18-19H,6-8H2,1H3/t10-,11+,12-,16-,17-/m0/s1",HKOIXWVRNLGFOR-KOFBORESSA-N,C17H19NO3,285.34,285.1364935,0.7,50.7,481,0,2,4,1,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"Morphinan-3,6-alpha-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-, 6-acetate",2784-73-8,5462507,"[(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate",CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3C,"InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1",JJGYGPZNTOPXGV-SSTWWWIQSA-N,C19H21NO4,327.4,327.1470582,1.3,59,592,0,1,5,2,24,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Morphinan, 7,8-didehydro-3,6-alpha-dimethoxy-4,5-alpha-epoxy-17-methyl-",2859-16-7,5492619,"(4R,4aR,7S,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)OC,"InChI=1S/C19H23NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,12-13,15,18H,8-10H2,1-3H3/t12-,13+,15-,18-,19-/m0/s1",HGPQAWTZLJXCTC-SSTWWWIQSA-N,C19H23NO3,313.4,313.1677936,1.7,30.9,523,0,0,4,2,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1
"Morphinan-3,6-alpha-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-, hydrochloride, trihydrate",6/7/55,5492889,"(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;trihydrate;hydrochloride",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.O.O.O.Cl,"InChI=1S/C17H19NO3.ClH.3H2O/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;;;;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H;3*1H2/t10-,11+,13-,16-,17-;;;;/m0..../s1",XELXKCKNPPSFNN-BJWPBXOKSA-N,C17H26ClNO6,375.8,375.1448652,,55.9,494,0,6,7,0,25,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Morphinan-6-alpha-ol, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-, acetate",6703-27-1,5486550,"[(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate",CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC)CCN3C,"InChI=1S/C20H23NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4-7,13-14,16,19H,8-10H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1",MFXFQKMUCYHPFQ-BKRJIHRRSA-N,C20H23NO4,341.4,341.1627082,1.7,48,607,0,0,5,3,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"HEROIN (DIACETYLMORPHINE, DIAMORPHINE)",000561-27-3,5462328,"[(4R,4aR,7S,7aR,12bS)-9-acetyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate",CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC(=O)C)CCN3C,"InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1",GVGLGOZIDCSQPN-PVHGPHFFSA-N,C21H23NO5,369.4,369.1576228,1.5,65.1,692,0,0,6,4,27,,272-274 °C at 1.20E+01 mm Hg,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
MORPHINE,000057-27-2,5288826,"(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O,"InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1",BQJCRHHNABKAKU-KBQPJGBKSA-N,C17H19NO3,285.34,285.1364935,0.8,52.9,494,0,2,4,0,21,,190ºC,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,1
NALORPHINE HYDROCHLORIDE,000057-29-4,5484366,"(4R,4aR,7S,7aR,12bS)-3-prop-2-enyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;hydrochloride",C=CCN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.Cl,"InChI=1S/C19H21NO3.ClH/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20;/h2-6,12-13,15,18,21-22H,1,7-10H2;1H/t12-,13+,15-,18-,19-;/m0./s1",NAHATSPWSULUAA-ZQGPYOJVSA-N,C19H22ClNO3,347.8,347.1288213,,52.9,549,0,3,4,2,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Morphinan-3,6-alpha-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-, acetate",29593-26-8,5462504,"[(4R,4aR,7S,7aR,12bS)-7-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] acetate",CC(=O)OC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4C)[C@@H](O2)[C@H](C=C5)O)C=C1,"InChI=1S/C19H21NO4/c1-10(21)23-15-6-3-11-9-13-12-4-5-14(22)18-19(12,7-8-20(13)2)16(11)17(15)24-18/h3-6,12-14,18,22H,7-9H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1",GMLREHXYJDLZOU-LEPYJNQMSA-N,C19H21NO4,327.4,327.1470582,0.9,59,592,0,1,5,2,24,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Morphinan-3,6-alpha-diol, 7,8-didehydro-4,5-alpha-epoxy-17-trideuteriomethyl-",67293-88-3,6912286,"(4R,4aR,7S,7aR,12bS)-3-(trideuteriomethyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol",[2H]C([2H])([2H])N1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O,"InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1/i1D3",BQJCRHHNABKAKU-LLQNGXJRSA-N,C17H19NO3,288.36,288.1553237,0.8,52.9,494,0,2,4,0,21,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BUTYROLACTONE,000096-48-0,7302,oxolan-2-one,C1CC(=O)OC1,InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,YEJRWHAVMIAJKC-UHFFFAOYSA-N,C4H6O2,86.09,86.03677943,-0.6,26.3,67,0,0,2,0,6,"209 °F (NTP, 1992)","399 to 401 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(3H)-FURANONE, 3-HEPTYLDIHYDRO-5-METHYL-",040923-64-6,61990,3-heptyl-5-methyloxolan-2-one,CCCCCCCC1CC(OC1=O)C,"InChI=1S/C12H22O2/c1-3-4-5-6-7-8-11-9-10(2)14-12(11)13/h10-11H,3-9H2,1-2H3",ZFKUTGNRVJOCIO-UHFFFAOYSA-N,C12H22O2,198.3,198.1619799,4.3,26.3,177,0,0,2,6,14,,170.00 °C. @ 17.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ALPHA-BROMO-GAMMA-BUTYROLACTONE,005061-21-2,95463,3-bromooxolan-2-one,C1COC(=O)C1Br,"InChI=1S/C4H5BrO2/c5-3-1-2-7-4(3)6/h3H,1-2H2",LFJJGHGXHXXDFT-UHFFFAOYSA-N,C4H5BrO2,164.99,163.94729,1.1,26.3,91,0,0,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ALPHA-AMINO-GAMMA-BUTYROLACTONE HYDRO-BROMIDE,006305-38-0,73508,3-aminooxolan-2-one;hydrobromide,C1COC(=O)C1N.Br,"InChI=1S/C4H7NO2.BrH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H",MKLNTBLOABOJFZ-UHFFFAOYSA-N,C4H8BrNO2,182.02,180.97384,,52.3,91,0,2,3,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(3H)-FURANONE, 3-ACETYLDIHYDRO-",000517-23-7,10601,3-acetyloxolan-2-one,CC(=O)C1CCOC1=O,"InChI=1S/C6H8O3/c1-4(7)5-2-3-9-6(5)8/h5H,2-3H2,1H3",OMQHDIHZSDEIFH-UHFFFAOYSA-N,C6H8O3,128.13,128.0473441,0.1,43.4,150,0,0,3,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(3H)-FURANONE, 4-ACETYLDIHYDRO-",007400-67-1,97756,4-acetyloxolan-2-one,CC(=O)C1CC(=O)OC1,"InChI=1S/C6H8O3/c1-4(7)5-2-6(8)9-3-5/h5H,2-3H2,1H3",MJHVRJCMYGXHKK-UHFFFAOYSA-N,C6H8O3,128.13,128.0473441,-0.5,43.4,150,0,0,3,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(3H)-FURANONE, 5-BUTYLDIHYDRO-4-METHYL-",039212-23-2,62900,5-butyl-4-methyloxolan-2-one,CCCCC1C(CC(=O)O1)C,"InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3",WNVCMFHPRIBNCW-UHFFFAOYSA-N,C9H16O2,156.22,156.1150297,2.5,26.3,142,0,0,2,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-FURANCARBOXYLIC ACID, TETRAHYDRO-5-OXO-, (R)-",053558-93-3,104532,(2R)-5-oxooxolane-2-carboxylic acid,C1CC(=O)O[C@H]1C(=O)O,"InChI=1S/C5H6O4/c6-4-2-1-3(9-4)5(7)8/h3H,1-2H2,(H,7,8)/t3-/m1/s1",QVADRSWDTZDDGR-GSVOUGTGSA-N,C5H6O4,130.1,130.0266087,-0.2,63.6,151,0,1,4,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(3H)-FURANONE, 5-(1,5-DIMETHYL-4-HEXENYL)DIHYDRO-",061099-53-4,108533,5-(6-methylhept-5-en-2-yl)oxolan-2-one,CC(CCC=C(C)C)C1CCC(=O)O1,"InChI=1S/C12H20O2/c1-9(2)5-4-6-10(3)11-7-8-12(13)14-11/h5,10-11H,4,6-8H2,1-3H3",BSLAGKJAUWCLKK-UHFFFAOYSA-N,C12H20O2,196.29,196.1463299,3.4,26.3,226,0,0,2,4,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2(3H)-FURANONE, DIHYDRO-3-HYDROXY-4,4-DIMETHYL-, (.+-.)-",000079-50-5,989,"3-hydroxy-4,4-dimethyloxolan-2-one",CC1(COC(=O)C1O)C,"InChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3",SERHXTVXHNVDKA-UHFFFAOYSA-N,C6H10O3,130.14,130.0629942,0.5,46.5,139,0,1,3,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2(3H)-FURANONE, DIHYDRO-3-HYDROXY-4,4-DIMETHYL-, (R)-",000599-04-2,439368,"(3R)-3-hydroxy-4,4-dimethyloxolan-2-one",CC1(COC(=O)[C@@H]1O)C,"InChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3/t4-/m0/s1",SERHXTVXHNVDKA-BYPYZUCNSA-N,C6H10O3,130.14,130.0629942,0.5,46.5,139,0,1,3,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2(3H)-FURANONE, 3-HEXYLDIHYDRO-",018436-37-8,86736,3-hexyloxolan-2-one,CCCCCCC1CCOC1=O,"InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-12-10(9)11/h9H,2-8H2,1H3",IBVDLVUXSDSVQF-UHFFFAOYSA-N,C10H18O2,170.25,170.1306798,3.3,26.3,143,0,0,2,5,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
5-HEPTYLDIHYDRO-2(3H)-FURANONE,000104-67-6,7714,5-heptyloxolan-2-one,CCCCCCCC1CCC(=O)O1,"InChI=1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3",PHXATPHONSXBIL-UHFFFAOYSA-N,C11H20O2,184.27,184.1463299,3.3,26.3,154,0,0,2,6,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
N-DODECANOYL-L-HOMOSERINE LACTONE,137173-46-7,10221437,N-[(3S)-2-oxooxolan-3-yl]dodecanamide,CCCCCCCCCCCC(=O)N[C@H]1CCOC1=O,"InChI=1S/C16H29NO3/c1-2-3-4-5-6-7-8-9-10-11-15(18)17-14-12-13-20-16(14)19/h14H,2-13H2,1H3,(H,17,18)/t14-/m0/s1",WILLZMOKUUPJSL-AWEZNQCLSA-N,C16H29NO3,283.41,283.2147438,4.8,55.4,291,0,1,3,11,20,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2(3H)-Furanone, dihydro-4,4-dimethyl-",13861-97-7,26312,"4,4-dimethyloxolan-2-one",CC1(CC(=O)OC1)C,"InChI=1S/C6H10O2/c1-6(2)3-5(7)8-4-6/h3-4H2,1-2H3",LZAKUZBAAQDJCF-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,1,26.3,116,0,0,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(3H)-Furanone, dihydro-3-amino-5,5-dimethyl-, hydrochloride",15722-67-5,204141,"3-amino-5,5-dimethyloxolan-2-one;hydrochloride",CC1(CC(C(=O)O1)N)C.Cl,"InChI=1S/C6H11NO2.ClH/c1-6(2)3-4(7)5(8)9-6;/h4H,3,7H2,1-2H3;1H",JDRZWKRMDUPEIC-UHFFFAOYSA-N,C6H12ClNO2,165.62,165.0556563,,52.3,142,0,2,3,0,10,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(3H)-Furanone, dihydro-4-ethyl-",16496-51-8,27893,4-ethyloxolan-2-one,CCC1CC(=O)OC1,"InChI=1S/C6H10O2/c1-2-5-3-6(7)8-4-5/h5H,2-4H2,1H3",MDQZVJSUBKPTHG-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,1,26.3,98,0,0,2,1,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
(-)-Hydroxycitric Acid Lactone,027750-13-6,9991606,"(2S,3S)-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid",C1C(=O)O[C@@H]([C@@]1(C(=O)O)O)C(=O)O,"InChI=1S/C6H6O7/c7-2-1-6(12,5(10)11)3(13-2)4(8)9/h3,12H,1H2,(H,8,9)(H,10,11)/t3-,6+/m1/s1",PFHZIWAVXDSFTB-CVYQJGLWSA-N,C6H6O7,190.11,190.0113525,-1.2,121,283,0,3,7,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-HYDROXY-N-(2-OXOOXOLAN-3-YL)TETRADECANAMIDE,172670-99-4,11681427,3-hydroxy-N-(2-oxooxolan-3-yl)tetradecanamide,CCCCCCCCCCCC(CC(=O)NC1CCOC1=O)O,"InChI=1S/C18H33NO4/c1-2-3-4-5-6-7-8-9-10-11-15(20)14-17(21)19-16-12-13-23-18(16)22/h15-16,20H,2-14H2,1H3,(H,19,21)",IKQUESGRCDRZTI-UHFFFAOYSA-N,C18H33NO4,327.5,327.2409585,5.1,75.6,346,0,2,4,13,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
D-GULONIC ACID GAMMA-LACTONE,006322-07-2,165105,"(3R,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one",C([C@H]([C@H]1[C@H]([C@H](C(=O)O1)O)O)O)O,"InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m1/s1",SXZYCXMUPBBULW-LECHCGJUSA-N,C6H10O6,178.14,178.047738,-2,107,181,0,4,6,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-MERCAPTOPROPANYL-N-HYDROXYSUCCINIMIDE
ESTER",117235-10-6,58596382,"(2,5-dioxopyrrolidin-1-yl) 3-sulfanylpropanoate",C1CC(=O)N(C1=O)OC(=O)CCS,"InChI=1S/C7H9NO4S/c9-5-1-2-6(10)8(5)12-7(11)3-4-13/h13H,1-4H2",UTBOEPMMEANMPS-UHFFFAOYSA-N,C7H9NO4S,203.22,203.0252289,-0.5,64.7,237,0,1,5,4,13,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
N-BROMOSUCCINIMIDE,000128-08-5,67184,"1-bromopyrrolidine-2,5-dione",C1CC(=O)N(C1=O)Br,InChI=1S/C4H4BrNO2/c5-6-3(7)1-2-4(6)8/h1-2H2,PCLIMKBDDGJMGD-UHFFFAOYSA-N,C4H4BrNO2,177.98,176.94254,-0.1,37.4,129,0,0,2,0,8,,338.9 °C at 101.325 kPa,1,0,0,1,0,0,0,1,0,0,1,1,0,0,0,0,1,1,0,1
N-IODOSUCCINIMIDE,000516-12-1,120273,"1-iodopyrrolidine-2,5-dione",C1CC(=O)N(C1=O)I,InChI=1S/C4H4INO2/c5-6-3(7)1-2-4(6)8/h1-2H2,LQZMLBORDGWNPD-UHFFFAOYSA-N,C4H4INO2,224.98,224.92868,-0.2,37.4,129,0,0,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SUCCINIMIDYL 2,2,2-TRICHLOROETHYL CARBONATE",066065-85-8,4192178,"(2,5-dioxopyrrolidin-1-yl) 2,2,2-trichloroethyl carbonate",C1CC(=O)N(C1=O)OC(=O)OCC(Cl)(Cl)Cl,"InChI=1S/C7H6Cl3NO5/c8-7(9,10)3-15-6(14)16-11-4(12)1-2-5(11)13/h1-3H2",WBZXNGAFYBGQFE-UHFFFAOYSA-N,C7H6Cl3NO5,290.5,288.931155,1.5,72.9,310,0,0,5,4,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
N-ACRYLOXYSUCCINIMIDE,038862-24-7,181508,"(2,5-dioxopyrrolidin-1-yl) prop-2-enoate",C=CC(=O)ON1C(=O)CCC1=O,"InChI=1S/C7H7NO4/c1-2-7(11)12-8-5(9)3-4-6(8)10/h2H,1,3-4H2",YXMISKNUHHOXFT-UHFFFAOYSA-N,C7H7NO4,169.13,169.0375077,-0.2,63.7,242,0,0,4,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
SUCCINIMIDYL ACETATE,014464-29-0,84460,"(2,5-dioxopyrrolidin-1-yl) acetate",CC(=O)ON1C(=O)CCC1=O,"InChI=1S/C6H7NO4/c1-4(8)11-7-5(9)2-3-6(7)10/h2-3H2,1H3",SIFCHNIAAPMMKG-UHFFFAOYSA-N,C6H7NO4,157.12,157.0375077,-0.8,63.7,207,0,0,4,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
N-HYDROXYSUCCINIMIDE,006066-82-6,80170,"1-hydroxypyrrolidine-2,5-dione",C1CC(=O)N(C1=O)O,"InChI=1S/C4H5NO3/c6-3-1-2-4(7)5(3)8/h8H,1-2H2",NQTADLQHYWFPDB-UHFFFAOYSA-N,C4H5NO3,115.09,115.026943,-1.4,57.6,126,0,1,3,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PALMITIC ACID N-HYDROXYSUCCINIMIDE ESTER,014464-31-4,4620598,"(2,5-dioxopyrrolidin-1-yl) hexadecanoate",CCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O,"InChI=1S/C20H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)25-21-18(22)16-17-19(21)23/h2-17H2,1H3",OTNHQVHEZCBZQU-UHFFFAOYSA-N,C20H35NO4,353.5,353.2566086,6.6,63.7,393,0,0,4,16,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
N-HYDROXYSULFOSUCCINIMIDE SODIUM SALT,106627-54-7,3520574,"sodium 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate",C1C(C(=O)N(C1=O)O)S(=O)(=O)[O-].[Na+],"InChI=1S/C4H5NO6S.Na/c6-3-1-2(12(9,10)11)4(7)5(3)8;/h2,8H,1H2,(H,9,10,11);/q;+1/p-1",RPENMORRBUTCPR-UHFFFAOYSA-M,C4H4NNaO6S,217.13,216.9657023,,123,331,0,1,6,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(2-HYDROXYETHYL) SUCCINIMIDE,018190-44-8,236334,"1-(2-hydroxyethyl)pyrrolidine-2,5-dione",C1CC(=O)N(C1=O)CCO,"InChI=1S/C6H9NO3/c8-4-3-7-5(9)1-2-6(7)10/h8H,1-4H2",TWYIPMITVXPNEM-UHFFFAOYSA-N,C6H9NO3,143.14,143.0582431,-1.5,57.6,150,0,1,3,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-METHYLSUCCINIMIDE,001121-07-9,70717,"1-methylpyrrolidine-2,5-dione",CN1C(=O)CCC1=O,"InChI=1S/C5H7NO2/c1-6-4(7)2-3-5(6)8/h2-3H2,1H3",KYEACNNYFNZCST-UHFFFAOYSA-N,C5H7NO2,113.11,113.0476785,-0.9,37.4,125,0,0,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRABUTYLAMMONIUM SUCCINIMIDE,074830-30-1,53471551,"pyrrolidine-2,5-dione;tetrabutylazanium",CCCC[N+](CCCC)(CCCC)CCCC.C1CC(=O)NC1=O,"InChI=1S/C16H36N.C4H5NO2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;6-3-1-2-4(7)5-3/h5-16H2,1-4H3;1-2H2,(H,5,6,7)/q+1;",OYSUQMQPIJNEBF-UHFFFAOYSA-N,C20H41N2O2+,341.6,341.3168036,,46.2,221,1,1,2,12,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-PYRROLIDINEDIONE, 1-(2-CHLOROETHYL)-",041212-96-8,96183,"1-(2-chloroethyl)pyrrolidine-2,5-dione",C1CC(=O)N(C1=O)CCCl,InChI=1S/C6H8ClNO2/c7-3-4-8-5(9)1-2-6(8)10/h1-4H2,QJZNIHHRDQKAFU-UHFFFAOYSA-N,C6H8ClNO2,161.58,161.0243562,-0.3,37.4,153,0,0,2,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(DODECYLTHIOCARBONOTHIOYLTHIO)-2-METHYLPROPIONIC ACID N-HYDROXYSUCCINIMIDE ESTER,,98210875,"(2,5-dioxopyrrolidin-1-yl) 2-dodecylsulfanylcarbothioylsulfanyl-2-methylpropanoate",CCCCCCCCCCCCSC(=S)SC(C)(C)C(=O)ON1C(=O)CCC1=O,"InChI=1S/C21H35NO4S3/c1-4-5-6-7-8-9-10-11-12-13-16-28-20(27)29-21(2,3)19(25)26-22-17(23)14-15-18(22)24/h4-16H2,1-3H3",HKWLQDYVQCZTQP-UHFFFAOYSA-N,C21H35NO4S3,461.7,461.1728221,7.4,146,550,0,0,7,17,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Succinimide, N-(hydroxymethyl)-",5146-68-9,95286,"1-(hydroxymethyl)pyrrolidine-2,5-dione",C1CC(=O)N(C1=O)CO,"InChI=1S/C5H7NO3/c7-3-6-4(8)1-2-5(6)9/h7H,1-3H2",AZVYYSCOCHRFKW-UHFFFAOYSA-N,C5H7NO3,129.11,129.0425931,-0.9,57.6,138,0,1,3,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-Pyrrolidinedione, 3-hydroxy-1-methyl-, (3S)-",104612-35-3,13726417,"(3S)-3-hydroxy-1-methylpyrrolidine-2,5-dione",CN1C(=O)C[C@@H](C1=O)O,"InChI=1S/C5H7NO3/c1-6-4(8)2-3(7)5(6)9/h3,7H,2H2,1H3/t3-/m0/s1",NLKACWKSCREJEL-VKHMYHEASA-N,C5H7NO3,129.11,129.0425931,-1.4,57.6,166,0,1,3,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"O-(N-SUCCINIMIDYL)-N,N,N',N'-TETRAMETHYLURONIUM TETRAFLUOROBORATE",105832-38-0,9857522,"[dimethylamino-(2,5-dioxopyrrolidin-1-yl)oxymethylidene]-dimethylazanium tetrafluoroborate",[B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C(=O)CCC1=O,"InChI=1S/C9H16N3O3.BF4/c1-10(2)9(11(3)4)15-12-7(13)5-6-8(12)14;2-1(3,4)5/h5-6H2,1-4H3;/q+1;-1",YEBLHMRPZHNTEK-UHFFFAOYSA-N,C9H16BF4N3O3,301.05,301.1220842,,52.9,309,0,0,8,3,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Succinimide, 2-ethyl-2-methyl-",000077-67-8,3291,"3-ethyl-3-methylpyrrolidine-2,5-dione",CCC1(CC(=O)NC1=O)C,"InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)",HAPOVYFOVVWLRS-UHFFFAOYSA-N,C7H11NO2,141.17,141.0789786,0.4,46.2,188,0,1,2,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
N-HYDROXYSUCCINIMIDE S-ACETYLTHIOACETATE,076931-93-6,127532,"(2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate",CC(=O)SCC(=O)ON1C(=O)CCC1=O,"InChI=1S/C8H9NO5S/c1-5(10)15-4-8(13)14-9-6(11)2-3-7(9)12/h2-4H2,1H3",FLCQLSRLQIPNLM-UHFFFAOYSA-N,C8H9NO5S,231.23,231.0201436,-0.3,106,311,0,0,6,5,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYLTRIPHENYLPHOSPHONIUM BROMIDE,001779-49-3,74505,methyl(triphenyl)phosphanium bromide,C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-],"InChI=1S/C19H18P.BrH/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1",LSEFCHWGJNHZNT-UHFFFAOYSA-M,C19H18BrP,357.2,356.03295,,0,235,0,0,1,3,21,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHONIUM, ETHYLTRIPHENYL-, IODIDE",004736-60-1,78474,ethyl(triphenyl)phosphanium iodide,CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-],"InChI=1S/C20H20P.HI/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,2H2,1H3;1H/q+1;/p-1",SLAFUPJSGFVWPP-UHFFFAOYSA-M,C20H20IP,418.2,418.03474,,0,247,0,0,1,4,22,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
(ETHYL)TRIPHENYLPHOSPHONIUM BROMIDE,001530-32-1,73727,ethyl(triphenyl)phosphanium bromide,CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-],"InChI=1S/C20H20P.BrH/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,2H2,1H3;1H/q+1;/p-1",JHYNXXDQQHTCHJ-UHFFFAOYSA-M,C20H20BrP,371.2,370.0486,,0,247,0,0,1,4,22,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
"PHOSPHONIUM, BUTYLTRIPHENYL-, BROMIDE",001779-51-7,159628,butyl(triphenyl)phosphanium bromide,CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-],"InChI=1S/C22H24P.BrH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H/q+1;/p-1",IKWKJIWDLVYZIY-UHFFFAOYSA-M,C22H24BrP,399.3,398.0799,,0,273,0,0,1,6,24,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHONIUM, BUTYLTRIPHENYL-, CHLORIDE",013371-17-0,166797,butyl(triphenyl)phosphanium chloride,CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-],"InChI=1S/C22H24P.ClH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H/q+1;/p-1",MFIUDWFSVDFDDY-UHFFFAOYSA-M,C22H24ClP,354.8,354.1304155,,0,273,0,0,1,6,24,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHONIUM, ETHYLTRIPHENYL-, ACETATE",035835-94-0,94470,ethyl(triphenyl)phosphanium acetate,CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CC(=O)[O-],"InChI=1S/C20H20P.C2H4O2/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-2(3)4/h3-17H,2H2,1H3;1H3,(H,3,4)/q+1;/p-1",HZZUMXSLPJFMCB-UHFFFAOYSA-M,C22H23O2P,350.4,350.143567,,40.1,273,0,0,2,4,25,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
(4-CARBOXYBUTYL)TRIPHENYLPHOSPHONIUM BROMIDE,017814-85-6,161236,4-carboxybutyl(triphenyl)phosphanium bromide,C1=CC=C(C=C1)[P+](CCCCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-],"InChI=1S/C23H23O2P.BrH/c24-23(25)18-10-11-19-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,18-19H2;1H",MLOSJPZSZWUDSK-UHFFFAOYSA-N,C23H24BrO2P,443.3,442.06973,,37.3,372,0,1,3,8,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIPHENYLPROPYLPHOSPHONIUM BROMIDE,006228-47-3,80374,triphenyl(propyl)phosphanium bromide,CCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-],"InChI=1S/C21H22P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1",XMQSELBBYSAURN-UHFFFAOYSA-M,C21H22BrP,385.3,384.06425,,0,260,0,0,1,5,23,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(METHOXYMETHYL)TRIPHENYLPHOSPHONIUM BROMIDE,033670-32-5,2773654,methoxymethyl(triphenyl)phosphanium bromide,COC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-],"InChI=1S/C20H20OP.BrH/c1-21-17-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16H,17H2,1H3;1H/q+1;/p-1",NOCGROPYCGRERZ-UHFFFAOYSA-M,C20H20BrOP,387.2,386.04351,,9.2,266,0,0,2,5,23,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CHLOROMETHYLTRIPHENYLPHOSPHONIUM CHLORIDE,005293-84-5,197823,chloromethyl(triphenyl)phosphanium chloride,C1=CC=C(C=C1)[P+](CCl)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-],"InChI=1S/C19H17ClP.ClH/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H,16H2;1H/q+1;/p-1",SXYFAZGVNNYGJQ-UHFFFAOYSA-M,C19H17Cl2P,347.2,346.0444929,,0,253,0,0,1,4,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OCTYLTRIPHENYLPHOSPHONIUM BROMIDE,042036-78-2,3084855,octyl(triphenyl)phosphanium bromide,CCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-],"InChI=1S/C26H32P.BrH/c1-2-3-4-5-6-16-23-27(24-17-10-7-11-18-24,25-19-12-8-13-20-25)26-21-14-9-15-22-26;/h7-15,17-22H,2-6,16,23H2,1H3;1H/q+1;/p-1",OBLXVLWZBMAMHE-UHFFFAOYSA-M,C26H32BrP,455.4,454.1425,,0,326,0,0,1,10,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-(TRIPHENYLPHOSPHONIO)PROPANE-1-SULFONATE,116154-22-4,16216941,3-triphenylphosphaniumylpropane-1-sulfonate,C1=CC=C(C=C1)[P+](CCCS(=O)(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C21H21O3PS/c22-26(23,24)18-10-17-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2",CHVFGCXPLGAAQN-UHFFFAOYSA-N,C21H21O3PS,384.4,384.0949027,3.8,65.6,451,0,0,3,6,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(ETHOXYCARBONYLMETHYL)TRIPHENYLPHOSPHONIUM BROMIDE,001530-45-6,73731,(2-ethoxy-2-oxoethyl)-triphenylphosphanium bromide,CCOC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-],"InChI=1S/C22H22O2P.BrH/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1",VJVZPTPOYCJFNI-UHFFFAOYSA-M,C22H22BrO2P,429.3,428.05408,,26.3,359,0,0,3,7,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ALLYLTRIPHENYLPHOSPHONIUM BROMIDE,001560-54-9,197740,triphenyl(prop-2-enyl)phosphanium bromide,C=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-],"InChI=1S/C21H20P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h2-17H,1,18H2;1H/q+1;/p-1",FWYKRJUVEOBFGH-UHFFFAOYSA-M,C21H20BrP,383.3,382.0486,,0,284,0,0,1,5,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"COPPER, IODO(TRIPHENYLPHOSPHINE)-",047107-74-4,57358128,iodocopper;triphenylphosphanium,C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Cu]I,InChI=1S/C18H15P.Cu.HI/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-15H;;1H/q;+1;,DKGJFOQMRCRRSL-UHFFFAOYSA-N,C18H16CuIP+,453.7,452.93303,,0,213,1,0,0,3,21,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
METHYLTRIPHENYLPHOSPHONIUM IODIDE,002065-66-9,638159,methyl(triphenyl)phosphanium iodide,C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-],"InChI=1S/C19H18P.HI/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1",JNMIXMFEVJHFNY-UHFFFAOYSA-M,C19H18IP,404.2,404.01909,,0,235,0,0,1,3,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYLTRIPHENYLPHOSPHONIUM CHLORIDE,001031-15-8,9879809,methyl(triphenyl)phosphanium chloride,C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-],"InChI=1S/C19H18P.ClH/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1",QRPRIOOKPZSVFN-UHFFFAOYSA-M,C19H18ClP,312.8,312.0834653,,0,235,0,0,1,3,21,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHONIUM, NONYLTRIPHENYL-, BROMIDE",060902-45-6,2724864,nonyl(triphenyl)phosphanium bromide,CCCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-],"InChI=1S/C27H34P.BrH/c1-2-3-4-5-6-7-17-24-28(25-18-11-8-12-19-25,26-20-13-9-14-21-26)27-22-15-10-16-23-27;/h8-16,18-23H,2-7,17,24H2,1H3;1H/q+1;/p-1",NJXRQGKTLWXMID-UHFFFAOYSA-M,C27H34BrP,469.4,468.15815,,0,340,0,0,1,11,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonium, acetonyltriphenyl-, chloride",1235-21-8,196994,2-oxopropyl(triphenyl)phosphanium chloride,CC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-],"InChI=1S/C21H20OP.ClH/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;/h2-16H,17H2,1H3;1H/q+1;/p-1",XAMZZEBAJZJERT-UHFFFAOYSA-M,C21H20ClOP,354.8,354.0940299,,17.1,328,0,0,2,5,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DICLAZEPAM,002894-68-0,76168,"7-chloro-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one",CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3Cl,"InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-10(17)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3",VPAYQWRBBOGGPY-UHFFFAOYSA-N,C16H12Cl2N2O,319.2,318.0326684,3.1,32.7,440,0,0,2,1,21,,,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DESMETHYLDIAZEPAM,001088-11-5,2997,"7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one",C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3,"InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)",AKPLHCDWDRPJGD-UHFFFAOYSA-N,C15H11ClN2O,270.71,270.0559907,2.9,41.5,376,0,1,2,1,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
NITRAZEPAM,000146-22-5,4506,"7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one",C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3,"InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)",KJONHKAYOJNZEC-UHFFFAOYSA-N,C15H11N3O3,281.27,281.0800412,2.2,87.3,452,0,1,4,1,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TEMAZEPAM,000846-50-4,5391,"7-chloro-3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one",CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3,"InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3",SEQDDYPDSLOBDC-UHFFFAOYSA-N,C16H13ClN2O2,300.74,300.0665554,2.2,52.9,434,0,1,3,1,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
FLURAZEPAM HYDROCHLORIDE,001172-18-5,14434,"7-chloro-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one;dihydrochloride",CCN(CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F.Cl.Cl,"InChI=1S/C21H23ClFN3O.2ClH/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23;;/h5-10,13H,3-4,11-12,14H2,1-2H3;2*1H",ZIIJJOPLRSCQNX-UHFFFAOYSA-N,C21H25Cl3FN3O,460.8,459.104724,,35.9,540,0,2,4,6,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
FLUNITRAZEPAM,001622-62-4,3380,"5-(2-fluorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one",CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F,"InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3",PPTYJKAXVCCBDU-UHFFFAOYSA-N,C16H12FN3O3,313.28,313.0862694,2.1,78.5,519,0,0,5,1,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0
NIMETAZEPAM,002011-67-8,4496,"1-methyl-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one",CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3,"InChI=1S/C16H13N3O3/c1-18-14-8-7-12(19(21)22)9-13(14)16(17-10-15(18)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3",GWUSZQUVEVMBPI-UHFFFAOYSA-N,C16H13N3O3,295.29,295.0956913,2.2,78.5,480,0,0,4,1,22,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-1,4-Benzodiazepin-2-one, 7-amino-1,3-dihydro-5-phenyl-",004928-02-3,78641,"7-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one",C1C(=O)NC2=C(C=C(C=C2)N)C(=N1)C3=CC=CC=C3,"InChI=1S/C15H13N3O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9,16H2,(H,18,19)",OYOUQHVDCKOOAL-UHFFFAOYSA-N,C15H13N3O,251.28,251.105862,1,67.5,374,0,2,3,1,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
FLURAZEPAM,017617-23-1,3393,"7-chloro-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one",CCN(CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F,"InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3",SAADBVWGJQAEFS-UHFFFAOYSA-N,C21H23ClFN3O,387.9,387.1513682,3,35.9,540,0,0,4,6,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
LORMETAZEPAM,000848-75-9,13314,"7-chloro-5-(2-chlorophenyl)-3-hydroxy-1-methyl-3H-1,4-benzodiazepin-2-one",CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3Cl,"InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3",FJIKWRGCXUCUIG-UHFFFAOYSA-N,C16H12Cl2N2O2,335.2,334.027583,2.4,52.9,471,0,1,3,1,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,1
ETHYL LOFLAZEPATE,029177-84-2,3299,"ethyl 7-chloro-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxylate",CCOC(=O)C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F,"InChI=1S/C18H14ClFN2O3/c1-2-25-18(24)16-17(23)21-14-8-7-10(19)9-12(14)15(22-16)11-5-3-4-6-13(11)20/h3-9,16H,2H2,1H3,(H,21,23)",CUCHJCMWNFEYOM-UHFFFAOYSA-N,C18H14ClFN2O3,360.8,360.0676982,2.9,67.8,556,0,1,5,4,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
OXAZEPAM,000604-75-1,4616,"7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one",C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O,"InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)",ADIMAYPTOBDMTL-UHFFFAOYSA-N,C15H11ClN2O2,286.71,286.0509053,2.2,61.7,407,0,2,3,1,20,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(2-fluorophenyl)-",2886-65-9,4540,"7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one",C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F,"InChI=1S/C15H10ClFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)",UVCOILFBWYKHHB-UHFFFAOYSA-N,C15H10ClFN2O,288.7,288.0465688,2.7,41.5,415,0,1,3,1,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(p-chlorophenyl)-1,3-dihydro-1-methyl-",14439-61-3,1688,"7-chloro-5-(4-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one",CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=C(C=C3)Cl,"InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3",PUMYFTJOWAJIKF-UHFFFAOYSA-N,C16H12Cl2N2O,319.2,318.0326684,3.8,32.7,432,0,0,2,1,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(2-fluorophenyl)-1-(2-hydroxyethyl)-",20971-53-3,30401,"7-chloro-5-(2-fluorophenyl)-1-(2-hydroxyethyl)-3H-1,4-benzodiazepin-2-one",C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CCO,"InChI=1S/C17H14ClFN2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)20-10-16(23)21(15)7-8-22/h1-6,9,22H,7-8,10H2",FOCBRQQHNOKOJQ-UHFFFAOYSA-N,C17H14ClFN2O2,332.8,332.0727835,1.6,52.9,474,0,1,4,3,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIAZEPAM,000439-14-5,3016,"7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one",CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3,"InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3",AAOVKJBEBIDNHE-UHFFFAOYSA-N,C16H13ClN2O,284.74,284.0716407,3,32.7,403,0,0,2,1,20,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DELORAZEPAM,002894-67-9,17925,"7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one",C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3Cl,"InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)",CHIFCDOIPRCHCF-UHFFFAOYSA-N,C15H10Cl2N2O,305.2,304.0170183,3.1,41.5,413,0,1,2,1,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIPOTASSIUM CLORAZEPATE,057109-90-7,167305,"dipotassium;7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate;hydroxide",C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)[O-].[OH-].[K+].[K+],"InChI=1S/C16H11ClN2O3.2K.H2O/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12;;;/h1-8,14H,(H,18,20)(H,21,22);;;1H2/q;2*+1;/p-2",QCHSEDTUUKDTIG-UHFFFAOYSA-L,C16H11ClK2N2O4,408.92,407.9681475,,82.6,482,0,2,5,1,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
HALAZEPAM,023092-17-3,31640,"7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one",C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC(F)(F)F,"InChI=1S/C17H12ClF3N2O/c18-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)22-9-15(24)23(14)10-17(19,20)21/h1-8H,9-10H2",WYCLKVQLVUQKNZ-UHFFFAOYSA-N,C17H12ClF3N2O,352.7,352.0590252,4,32.7,503,0,0,5,2,24,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-5-(2-fluorophenyl)-3-hydroxy-7-nitro-",74723-10-7,3058221,"5-(2-fluorophenyl)-3-hydroxy-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one",C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)[N+](=O)[O-])O)F,"InChI=1S/C15H10FN3O4/c16-11-4-2-1-3-9(11)13-10-7-8(19(22)23)5-6-12(10)17-14(20)15(21)18-13/h1-7,15,21H,(H,17,20)",UHFIFTRHLBAWGY-UHFFFAOYSA-N,C15H10FN3O4,315.26,315.065534,1.1,108,521,0,2,6,1,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"QUININE MONOHYDROCHLORIDE, DIHYDRATE",006119-47-7,16211283,"(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate;hydrochloride",COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.O.O.Cl,"InChI=1S/C20H24N2O2.ClH.2H2O/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H;2*1H2/t13-,14-,19-,20+;;;/m0.../s1",MPQKYZPYCSTMEI-FLZPLBAKSA-N,C20H29ClN2O4,396.9,396.1815851,,47.6,457,0,4,6,4,27,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
(-)-CINCHONIDINE,000485-71-2,101744,"(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol",C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O,"InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18-,19+/m0/s1",KMPWYEUPVWOPIM-KODHJQJWSA-N,C19H22N2O,294.4,294.1732133,2.7,36.4,412,0,1,3,3,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,1,1,0
QUININE,000130-95-0,3034034,"(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol",COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O,"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1",LOUPRKONTZGTKE-WZBLMQSHSA-N,C20H24N2O2,324.4,324.183778,2.9,45.6,457,0,1,4,4,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0
HYDROQUININE,000522-66-7,121515,"(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol",CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=C4C=C(C=CC4=NC=C3)OC)O,"InChI=1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14-,19-,20+/m0/s1",LJOQGZACKSYWCH-WZBLMQSHSA-N,C20H26N2O2,326.4,326.1994281,3.1,45.6,432,0,1,4,4,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
QUININE SULFATE MONOHYDRATE,303137-00-0,25092826,"(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;hydrate",COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.O.OS(=O)(=O)O,"InChI=1S/C20H24N2O2.H2O4S.H2O/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);1H2/t13-,14-,19-,20+;;/m0../s1",ZYCWGZVLCXRARB-HZQSTTLBSA-N,C20H28N2O7S,440.5,440.1617224,,130,538,0,4,9,4,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Inhibin-,057285-09-3,2734755,"(R)-[(2S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrobromide",CC[C@H]1CN2CCC1C[C@H]2[C@@H](C3=C4C=C(C=CC4=NC=C3)OC)O.Br,"InChI=1S/C20H26N2O2.BrH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3;1H/t13-,14?,19-,20+;/m0./s1",BKKQYYLUFOIOJF-YYQSSQEESA-N,C20H27BrN2O2,407.3,406.12559,,45.6,432,0,2,4,4,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Quinine, dihydrochloride",60-93-5,91429,"(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrochloride",COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.Cl.Cl,"InChI=1S/C20H24N2O2.2ClH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2*1H/t13-,14-,19-,20+;;/m0../s1",NNKXWRRDHYTHFP-HZQSTTLBSA-N,C20H26Cl2N2O2,397.3,396.1371335,,45.6,457,0,3,4,4,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Quinine, monohydrochloride",130-89-2,91558,"(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrochloride",COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.Cl,"InChI=1S/C20H24N2O2.ClH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H/t13-,14-,19-,20+;/m0./s1",LBSFSRMTJJPTCW-DSXUQNDKSA-N,C20H25ClN2O2,360.9,360.1604557,,45.6,457,0,2,4,4,25,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hydrocupreine, O(sup 6')-ethyl-",522-60-1,87880,"(R)-(6-ethoxyquinolin-4-yl)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol",CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=C4C=C(C=CC4=NC=C3)OCC)O,"InChI=1S/C21H28N2O2/c1-3-14-13-23-10-8-15(14)11-20(23)21(24)17-7-9-22-19-6-5-16(25-4-2)12-18(17)19/h5-7,9,12,14-15,20-21,24H,3-4,8,10-11,13H2,1-2H3/t14-,15-,20-,21+/m0/s1",SUWZHLCNFQWNPE-LATRNWQMSA-N,C21H28N2O2,340.5,340.2150781,3.5,45.6,446,0,1,4,5,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cinchonan-9-ol, monohydrochloride, (8-alpha,9R)-",524-57-2,21151043,"(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;hydrochloride",C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O.Cl,"InChI=1S/C19H22N2O.ClH/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;/h2-7,9,13-14,18-19,22H,1,8,10-12H2;1H/t13-,14-,18-,19+;/m0./s1",IMUHWLVEEVGMBC-YYXOUSRLSA-N,C19H23ClN2O,330.8,330.1498911,,36.4,412,0,2,3,3,23,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Quinine, monohydrobromide",549-49-5,9822548,"(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrobromide",COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.Br,"InChI=1S/C20H24N2O2.BrH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H/t13-,14-,19-,20+;/m0./s1",HDZGBIRSORQVNB-DSXUQNDKSA-N,C20H25BrN2O2,405.3,404.10994,,45.6,457,0,2,4,4,25,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
Hydroquinidine,1435-55-8,91503,"(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol",CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O,"InChI=1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14-,19+,20-/m0/s1",LJOQGZACKSYWCH-LHHVKLHASA-N,C20H26N2O2,326.4,326.1994281,3.1,45.6,432,0,1,4,4,24,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Quinidine, monohydrochloride",1668-99-1,11639099,"(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrochloride",COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.Cl,"InChI=1S/C20H24N2O2.ClH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H/t13-,14-,19+,20-;/m0./s1",LBSFSRMTJJPTCW-VJAUXQICSA-N,C20H25ClN2O2,360.9,360.1604557,,45.6,457,0,2,4,4,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Cinchonan-9-ol, 6'-methoxy-, monohydrochloride monohydrate, (9S)-",6151-40-2,16219921,"(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrate;hydrochloride",COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.O.Cl,"InChI=1S/C20H24N2O2.ClH.H2O/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H;1H2/t13-,14-,19+,20-;;/m0../s1",SGVZDMWHXVXUBY-KAIFKDDSSA-N,C20H27ClN2O3,378.9,378.1710204,,46.6,457,0,3,5,4,26,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Gluconic acid, compd. with quinidine (1:1), D-",7054-25-3,94328,"(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid",COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O,"InChI=1S/C20H24N2O2.C6H12O7/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;7-1-2(8)3(9)4(10)5(11)6(12)13/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2-5,7-11H,1H2,(H,12,13)/t13-,14-,19+,20-;2-,3-,4+,5-/m01/s1",XHKUDCCTVQUHJQ-LCYSNFERSA-N,C26H36N2O9,520.6,520.2420807,,184,627,0,7,11,9,37,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Cinchonan-6',9-diol, (9S)-",70877-75-7,11587639,"4-[(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-ol",C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)O)O,"InChI=1S/C19H22N2O2/c1-2-12-11-21-8-6-13(12)9-18(21)19(23)15-5-7-20-17-4-3-14(22)10-16(15)17/h2-5,7,10,12-13,18-19,22-23H,1,6,8-9,11H2/t12-,13-,18+,19-/m0/s1",VJFMSYZSFUWQPZ-WXPXUSHHSA-N,C19H22N2O2,310.4,310.1681279,2.6,56.6,443,0,2,4,3,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
QUINIDINE,000056-54-2,441074,"(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol",COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O,"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1",LOUPRKONTZGTKE-LHHVKLHASA-N,C20H24N2O2,324.4,324.183778,2.9,45.6,457,0,1,4,4,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
QUININE BISULFATE,000549-56-4,11949689,"(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid",COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.OS(=O)(=O)O,"InChI=1S/C20H24N2O2.H2O4S/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)/t13-,14-,19-,20+;/m0./s1",AKYHKWQPZHDOBW-DSXUQNDKSA-N,C20H26N2O6S,422.5,422.1511577,,129,538,0,3,8,4,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinine, sulfate (1:1) (salt), heptahydrate",6183-68-2,67123961,"(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;heptahydrate",COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.O.O.O.O.O.O.O.OS(=O)(=O)O,"InChI=1S/C20H24N2O2.H2O4S.7H2O/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;;;;;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);7*1H2/t13-,14-,19-,20+;;;;;;;;/m0......../s1",MMZACAMEMISONC-RYXXBYBMSA-N,C20H40N2O13S,548.6,548.2251105,,136,538,0,10,15,4,36,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Benzoic acid, 2-hydroxy-, 2-carboxyphenyl ester",000552-94-3,5161,2-(2-hydroxybenzoyl)oxybenzoic acid,C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2C(=O)O)O,"InChI=1S/C14H10O5/c15-11-7-3-1-5-9(11)14(18)19-12-8-4-2-6-10(12)13(16)17/h1-8,15H,(H,16,17)",WVYADZUPLLSGPU-UHFFFAOYSA-N,C14H10O5,258.23,258.0528234,3,83.8,341,0,2,5,4,19,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-HYDROXY-, 4-METHYLPHENYL ESTER",000607-88-5,69091,(4-methylphenyl) 2-hydroxybenzoate,CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O,"InChI=1S/C14H12O3/c1-10-6-8-11(9-7-10)17-14(16)12-4-2-3-5-13(12)15/h2-9,15H,1H3",AMYKXJAXRJCLCV-UHFFFAOYSA-N,C14H12O3,228.24,228.0786442,4.1,46.5,256,0,1,3,3,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 4-BUTYL-, 4-CYANOPHENYL ESTER",038690-77-6,170098,(4-cyanophenyl) 4-butylbenzoate,CCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N,"InChI=1S/C18H17NO2/c1-2-3-4-14-5-9-16(10-6-14)18(20)21-17-11-7-15(13-19)8-12-17/h5-12H,2-4H2,1H3",XQRFASOUJIKXRE-UHFFFAOYSA-N,C18H17NO2,279.3,279.1259288,4.9,50.1,368,0,0,3,6,21,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 4-HEXYL-, 4-CYANOPHENYL ESTER",050793-85-6,170907,(4-cyanophenyl) 4-hexylbenzoate,CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N,"InChI=1S/C20H21NO2/c1-2-3-4-5-6-16-7-11-18(12-8-16)20(22)23-19-13-9-17(15-21)10-14-19/h7-14H,2-6H2,1H3",DEUWEGPRKHPNKB-UHFFFAOYSA-N,C20H21NO2,307.4,307.1572289,6,50.1,395,0,0,3,8,23,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANONE, 1-[2-(BENZOYLOXY)PHENYL]-",004010-33-7,77627,(2-acetylphenyl) benzoate,CC(=O)C1=CC=CC=C1OC(=O)C2=CC=CC=C2,"InChI=1S/C15H12O3/c1-11(16)13-9-5-6-10-14(13)18-15(17)12-7-3-2-4-8-12/h2-10H,1H3",UEVPPUDQJRWOLT-UHFFFAOYSA-N,C15H12O3,240.25,240.0786442,2.6,43.4,305,0,0,3,4,18,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
PHENYL SALICYLATE,000118-55-8,8361,phenyl 2-hydroxybenzoate,C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O,"InChI=1S/C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9,14H",ZQBAKBUEJOMQEX-UHFFFAOYSA-N,C13H10O3,214.22,214.0629942,3.8,46.5,233,0,1,3,3,16,,172-173,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-HYDROXY-, 4-(1,1-DIMETHYLETHYL)PHENYL ESTER",000087-18-3,66597,(4-tert-butylphenyl) 2-hydroxybenzoate,CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O,"InChI=1S/C17H18O3/c1-17(2,3)12-8-10-13(11-9-12)20-16(19)14-6-4-5-7-15(14)18/h4-11,18H,1-3H3",DBOSBRHMHBENLP-UHFFFAOYSA-N,C17H18O3,270.32,270.1255944,5.5,46.5,324,0,1,3,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHENOL, 2-METHOXY-4-(2-PROPENYL)-, BENZOATE",000531-26-0,62362,(2-methoxy-4-prop-2-enylphenyl) benzoate,COC1=C(C=CC(=C1)CC=C)OC(=O)C2=CC=CC=C2,"InChI=1S/C17H16O3/c1-3-7-13-10-11-15(16(12-13)19-2)20-17(18)14-8-5-4-6-9-14/h3-6,8-12H,1,7H2,2H3",ZOGNBLKDKPCKGB-UHFFFAOYSA-N,C17H16O3,268.31,268.1099444,4.4,35.5,320,0,0,3,6,20,,360.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZOIC ACID, 4-METHOXY-, 2-ACETYLPHENYL ESTER",005445-86-3,79522,(2-acetylphenyl) 4-methoxybenzoate,CC(=O)C1=CC=CC=C1OC(=O)C2=CC=C(C=C2)OC,"InChI=1S/C16H14O4/c1-11(17)14-5-3-4-6-15(14)20-16(18)12-7-9-13(19-2)10-8-12/h3-10H,1-2H3",KPHKQJNWBUZGCV-UHFFFAOYSA-N,C16H14O4,270.28,270.0892089,2.5,52.6,344,0,0,4,5,20,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZOIC ACID, 4-(HEXYLOXY)-, 4-PENTYLPHENYL ESTER",038444-15-4,170050,(4-pentylphenyl) 4-hexoxybenzoate,CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCCCC,"InChI=1S/C24H32O3/c1-3-5-7-9-19-26-22-17-13-21(14-18-22)24(25)27-23-15-11-20(12-16-23)10-8-6-4-2/h11-18H,3-10,19H2,1-2H3",IRMSQSDYVDQMKE-UHFFFAOYSA-N,C24H32O3,368.5,368.2351449,8.1,35.5,379,0,0,3,13,27,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, 3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl ester",479-20-9,68066,"(3-hydroxy-4-methoxycarbonyl-2,5-dimethylphenyl) 3-formyl-2,4-dihydroxy-6-methylbenzoate",CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)C)C(=O)OC)O)C)O)C=O)O,"InChI=1S/C19H18O8/c1-8-5-12(21)11(7-20)17(23)15(8)19(25)27-13-6-9(2)14(18(24)26-4)16(22)10(13)3/h5-7,21-23H,1-4H3",YLOYKYXNDHOHHT-UHFFFAOYSA-N,C19H18O8,374.3,374.1001675,4.3,130,564,0,3,8,6,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Benzoic acid, 4-hydroxy-, phenyl ester",17696-62-7,87250,phenyl 4-hydroxybenzoate,C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)O,"InChI=1S/C13H10O3/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12/h1-9,14H",GJLNWLVPAHNBQN-UHFFFAOYSA-N,C13H10O3,214.22,214.0629942,3.2,46.5,225,0,1,3,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOIC ACID, 4-HEPTYL-, 4-CYANOPHENYL ESTER",038690-76-5,170097,(4-cyanophenyl) 4-heptylbenzoate,CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N,"InChI=1S/C21H23NO2/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)21(23)24-20-14-10-18(16-22)11-15-20/h8-15H,2-7H2,1H3",ZWAUTNYPKHVAEZ-UHFFFAOYSA-N,C21H23NO2,321.4,321.172879,6.6,50.1,409,0,0,3,9,24,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 4-PROPYL-, 4-PENTYLPHENYL ESTER",050649-60-0,170879,(4-pentylphenyl) 4-propylbenzoate,CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCC,"InChI=1S/C21H26O2/c1-3-5-6-8-18-11-15-20(16-12-18)23-21(22)19-13-9-17(7-4-2)10-14-19/h9-16H,3-8H2,1-2H3",WNBFPAKRCJNBBS-UHFFFAOYSA-N,C21H26O2,310.4,310.1932801,7.1,26.3,323,0,0,2,9,23,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"P-GUANIDINOBENZOIC ACID, P-NITROPHENYL ESTER MONOHYDROCHLORIDE",019135-17-2,2853494,(4-nitrophenyl) 4-(diaminomethylideneamino)benzoate;hydrochloride,C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])N=C(N)N.Cl,"InChI=1S/C14H12N4O4.ClH/c15-14(16)17-10-3-1-9(2-4-10)13(19)22-12-7-5-11(6-8-12)18(20)21;/h1-8H,(H4,15,16,17);1H",PKSBDZOBYIKNGY-UHFFFAOYSA-N,C14H13ClN4O4,336.73,336.0625326,,137,429,0,3,5,4,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Salicylic acid, acetate, ester with 4'-hydroxyacetanilide",5003-48-5,21102,(4-acetamidophenyl) 2-acetyloxybenzoate,CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2OC(=O)C,"InChI=1S/C17H15NO5/c1-11(19)18-13-7-9-14(10-8-13)23-17(21)15-5-3-4-6-16(15)22-12(2)20/h3-10H,1-2H3,(H,18,19)",FEJKLNWAOXSSNR-UHFFFAOYSA-N,C17H15NO5,313.3,313.0950226,2.2,81.7,442,0,1,5,6,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Benzeneacetic acid, 4-((4-((aminoiminomethyl)amino)benzoyl)oxy)-, 2-(dimethylamino)-2-oxoethyl ester, monomethanesulfonate",59721-29-8,5284360,[4-[2-[2-(dimethylamino)-2-oxoethoxy]-2-oxoethyl]phenyl] 4-(diaminomethylideneamino)benzoate;methanesulfonic acid,CN(C)C(=O)COC(=O)CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N.CS(=O)(=O)O,"InChI=1S/C20H22N4O5.CH4O3S/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22;1-5(2,3)4/h3-10H,11-12H2,1-2H3,(H4,21,22,23);1H3,(H,2,3,4)",FSEKIHNIDBATFG-UHFFFAOYSA-N,C21H26N4O8S,494.5,494.147135,,200,695,0,3,9,9,34,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-IMIDAZOLE-1-ETHANOL, 2-HEPTADECYL-4,5-DIHYDRO-",000095-19-2,7223,"2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol",CCCCCCCCCCCCCCCCCC1=NCCN1CCO,"InChI=1S/C22H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h25H,2-21H2,1H3",QJEBJKXTNSYBGE-UHFFFAOYSA-N,C22H44N2O,352.6,352.345364,7.1,35.8,317,0,1,2,18,25,,,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,1,0,0
2-(8-HEPTADECENYL)-2-IMIDAZOLINE-1-ETHANOL,000095-38-5,7233,"2-(2-heptadec-8-enyl-4,5-dihydroimidazol-1-yl)ethanol",CCCCCCCCC=CCCCCCCCC1=NCCN1CCO,"InChI=1S/C22H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h9-10,25H,2-8,11-21H2,1H3",WGTDLPBPQKAPMN-UHFFFAOYSA-N,C22H42N2O,350.6,350.329714,6.2,35.8,352,0,1,2,17,25,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,0
"1H-IMIDAZOLE-1-ETHANOL, 2-(8-HEPTADECENYL)-4,5-DIHYDRO-, MONOACETATE (SALT)",003388-72-5,6436930,"acetic acid;2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol",CCCCCCCC/C=C/CCCCCCCC1=NCCN1CCO.CC(=O)O,"InChI=1S/C22H42N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-2(3)4/h9-10,25H,2-8,11-21H2,1H3;1H3,(H,3,4)/b10-9+;",AZCYDMTVXLBAEM-RRABGKBLSA-N,C24H46N2O3,410.6,410.3508433,,73.1,383,0,2,4,17,29,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"1H-IMIDAZOLE-1-ETHANOL, 2-HEPTYL-4,5-DIHYDRO-",036060-61-4,118904,"2-(2-heptyl-4,5-dihydroimidazol-1-yl)ethanol",CCCCCCCC1=NCCN1CCO,"InChI=1S/C12H24N2O/c1-2-3-4-5-6-7-12-13-8-9-14(12)10-11-15/h15H,2-11H2,1H3",MTEKQDXWVXZMDN-UHFFFAOYSA-N,C12H24N2O,212.33,212.1888634,1.7,35.8,192,0,1,2,8,15,,,1,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
"1H-IMIDAZOLE-1-ETHANAMINE, 2-(8-HEPTADECENYL)-4,5-DIHYDRO-, MONOACETATE",068083-47-6,6437221,"carbonic acid;2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanamine",CCCCCCCC/C=C/CCCCCCCC1=NCCN1CCN.C(=O)(O)O,"InChI=1S/C22H43N3.CH2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-24-19-21-25(22)20-18-23;2-1(3)4/h9-10H,2-8,11-21,23H2,1H3;(H2,2,3,4)/b10-9+;",OAWVVXMAOXLNLY-RRABGKBLSA-N,C23H45N3O3,411.6,411.3460923,,99.2,375,0,3,5,17,29,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"SULFURIC ACID, DIETHYL ESTER, COMPD. WITH 2-(8-HEPTADECENYL)-4,5-DIHYDRO-1H-IM",068527-63-9,6437562,"diethyl sulfate;2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol",CCCCCCCC/C=C/CCCCCCCC1=NCCN1CCO.CCOS(=O)(=O)OCC,"InChI=1S/C22H42N2O.C4H10O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-3-7-9(5,6)8-4-2/h9-10,25H,2-8,11-21H2,1H3;3-4H2,1-2H3/b10-9+;",VZRKETAUDBGCTG-RRABGKBLSA-N,C26H52N2O5S,504.8,504.3596939,,96.8,482,0,1,6,21,34,,,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,1,1,0
"1H-IMIDAZOLE-1-ETHANOL, 4,5-DIHYDRO-2-ISOHEPTADECYL-",068966-38-1,111973,"2-[2-(15-methylhexadecyl)-4,5-dihydroimidazol-1-yl]ethanol",CC(C)CCCCCCCCCCCCCCC1=NCCN1CCO,"InChI=1S/C22H44N2O/c1-21(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22-23-17-18-24(22)19-20-25/h21,25H,3-20H2,1-2H3",AVPHZAHGVBYDBS-UHFFFAOYSA-N,C22H44N2O,352.6,352.345364,6.8,35.8,328,0,1,2,17,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4,5-DIHYDRO-1-(3-TRIETHOXYSILYLPROPYL)IMIDAZOLE",058068-97-6,93933,"3-(4,5-dihydroimidazol-1-yl)propyl-triethoxysilane",CCO[Si](CCCN1CCN=C1)(OCC)OCC,"InChI=1S/C12H26N2O3Si/c1-4-15-18(16-5-2,17-6-3)11-7-9-14-10-8-13-12-14/h12H,4-11H2,1-3H3",WBUSESIMOZDSHU-UHFFFAOYSA-N,C12H26N2O3Si,274.43,274.1712692,,43.3,234,0,0,4,10,18,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-IMIDAZOLE-1-ETHANAMINE, 2-(8-HEPTADECENYL)-4,5-DIHYDRO-",003528-63-0,6437219,"2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanamine",CCCCCCCC/C=C/CCCCCCCC1=NCCN1CCN,"InChI=1S/C22H43N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-24-19-21-25(22)20-18-23/h9-10H,2-8,11-21,23H2,1H3/b10-9+",DLIZJCBWTRNYKF-MDZDMXLPSA-N,C22H43N3,349.6,349.3456984,5.9,41.6,349,0,1,2,17,25,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"1H-IMIDAZOLE-1-ETHANOL, 4,5-DIHYDRO-2-NONYL-",037478-68-5,169928,"2-(2-nonyl-4,5-dihydroimidazol-1-yl)ethanol",CCCCCCCCCC1=NCCN1CCO,"InChI=1S/C14H28N2O/c1-2-3-4-5-6-7-8-9-14-15-10-11-16(14)12-13-17/h17H,2-13H2,1H3",SCBMJZZCHOUEQV-UHFFFAOYSA-N,C14H28N2O,240.38,240.2201635,2.8,35.8,216,0,1,2,10,17,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"9-OCTADECENOIC ACID (Z)-, COMPD. WITH 2-(8-HEPTADECENYL)-4,5-DIHYDRO-1H-IMIDAZ",068310-76-9,6437529,"2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanamine;(Z)-octadec-9-enoic acid",CCCCCCCC/C=C/CCCCCCCC1=NCCN1CCN.CCCCCCCC/C=C\CCCCCCCC(=O)O,"InChI=1S/C22H43N3.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-24-19-21-25(22)20-18-23;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-21,23H2,1H3;9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+;10-9-",DWRLHVXGIZLRHX-DGNUWDJVSA-N,C40H77N3O2,632.1,631.6015787,,78.9,583,0,2,4,32,45,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"1H-IMIDAZOLE, 4,5-DIHYDRO-2-METHYL-",000534-26-9,10798,"2-methyl-4,5-dihydro-1H-imidazole",CC1=NCCN1,"InChI=1S/C4H8N2/c1-4-5-2-3-6-4/h2-3H2,1H3,(H,5,6)",VWSLLSXLURJCDF-UHFFFAOYSA-N,C4H8N2,84.12,84.06874826,0.5,24.4,75,0,1,1,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-IMIDAZOLE-1-ETHANAMINE, 2-(8-HEPTADECENYL)-4,5-DIHYDRO-, 2-HYDROXY-1,2,3-PR",068083-45-4,6437218,"2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid",CCCCCCCC/C=C/CCCCCCCC1=NCCN1CCN.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,"InChI=1S/C22H43N3.C6H8O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-24-19-21-25(22)20-18-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h9-10H,2-8,11-21,23H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b10-9+;",TXNMYADEYJLEJS-RRABGKBLSA-N,C28H51N3O7,541.7,541.372701,,174,577,0,5,9,22,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-IMIDAZOLE, 2-HEPTADECYL-4,5-DIHYDRO-",000105-28-2,7744,"2-heptadecyl-4,5-dihydro-1H-imidazole",CCCCCCCCCCCCCCCCCC1=NCCN1,"InChI=1S/C20H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h2-19H2,1H3,(H,21,22)",NCVGSSQICKMAIA-UHFFFAOYSA-N,C20H40N2,308.5,308.3191493,7.6,24.4,260,0,1,1,16,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-Imidazoline, 2-ethyl-",930-52-9,13590,"2-ethyl-4,5-dihydro-1H-imidazole",CCC1=NCCN1,"InChI=1S/C5H10N2/c1-2-5-6-3-4-7-5/h2-4H2,1H3,(H,6,7)",QUPKCFBHJFNUEW-UHFFFAOYSA-N,C5H10N2,98.15,98.08439833,-0.3,24.4,86,0,1,1,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-Imidazoline, 2-octyl-",10443-60-4,25285,"2-octyl-4,5-dihydro-1H-imidazole",CCCCCCCCC1=NCCN1,"InChI=1S/C11H22N2/c1-2-3-4-5-6-7-8-11-12-9-10-13-11/h2-10H2,1H3,(H,12,13)",RPEKHMWFNMGIHP-UHFFFAOYSA-N,C11H22N2,182.31,182.1782987,2.8,24.4,152,0,1,1,7,13,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
"2-Imidazoline, 2-propyl-",15450-05-2,27291,"2-propyl-4,5-dihydro-1H-imidazole",CCCC1=NCCN1,"InChI=1S/C6H12N2/c1-2-3-6-7-4-5-8-6/h2-5H2,1H3,(H,7,8)",LFCYHAXVBWPGQR-UHFFFAOYSA-N,C6H12N2,112.17,112.1000484,0.1,24.4,96,0,1,1,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
Anatoxin-A(S),103170-78-1,114989,"[(5S)-2-amino-5-[(dimethylamino)methyl]-4,5-dihydroimidazol-1-yl] methyl hydrogen phosphate",CN(C)C[C@H]1CN=C(N1OP(=O)(O)OC)N,"InChI=1S/C7H17N4O4P/c1-10(2)5-6-4-9-7(8)11(6)15-16(12,13)14-3/h6H,4-5H2,1-3H3,(H2,8,9)(H,12,13)/t6-/m1/s1",FYXHGVMFJYHPFX-ZCFIWIBFSA-N,C7H17N4O4P,252.21,252.098742,-4.4,101,322,0,2,6,5,16,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
5-AMINOINDAN,024425-40-9,90496,"2,3-dihydro-1H-inden-5-amine",C1CC2=C(C1)C=C(C=C2)N,"InChI=1S/C9H11N/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3,10H2",LEWZOBYWGWKNCK-UHFFFAOYSA-N,C9H11N,133.19,133.0891494,2.1,26,122,0,1,1,0,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,3-DIHYDRO-1H-INDEN-1-OL",006351-10-6,22819,"2,3-dihydro-1H-inden-1-ol",C1CC2=CC=CC=C2C1O,"InChI=1S/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2",YIAPLDFPUUJILH-UHFFFAOYSA-N,C9H10O,134.17,134.0731649,1.5,20.2,122,0,1,1,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(2,3-DIHYDRO-1,1,2,3,3,6-HEXAMETHYL-1H-INDEN-5-YL)-",015323-35-0,47167,"1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethanone",CC1C(C2=C(C1(C)C)C=C(C(=C2)C)C(=O)C)(C)C,"InChI=1S/C17H24O/c1-10-8-14-15(9-13(10)11(2)18)17(6,7)12(3)16(14,4)5/h8-9,12H,1-7H3",VDBHOHJWUDKDRW-UHFFFAOYSA-N,C17H24O,244.37,244.1827154,4.8,17.1,353,0,0,1,1,18,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANONE, 1-[2,3-DIHYDRO-1,1,2,6-TETRAMETHYL-3-(1-METHYLETHYL)-1H-INDEN-5-YL]-",068140-48-7,91696,"1-(1,1,2,6-tetramethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone",CC1C(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)C(C)C,"InChI=1S/C18H26O/c1-10(2)17-12(4)18(6,7)16-8-11(3)14(13(5)19)9-15(16)17/h8-10,12,17H,1-7H3",IMRYETFJNLKUHK-UHFFFAOYSA-N,C18H26O,258.4,258.1983654,5.1,17.1,355,0,0,1,2,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Indene-1-carboxylic acid, 2,3-dihydro-",14381-42-1,85728,"2,3-dihydro-1H-indene-1-carboxylic acid",C1CC2=CC=CC=C2C1C(=O)O,"InChI=1S/C10H10O2/c11-10(12)9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2,(H,11,12)",JBQMFBWTKWOSQX-UHFFFAOYSA-N,C10H10O2,162.18,162.0680796,1.8,37.3,188,0,1,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1H-Inden-1-amine,34698-41-4,123445,"2,3-dihydro-1H-inden-1-amine",C1CC2=CC=CC=C2C1N,"InChI=1S/C9H11N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H2",XJEVHMGJSYVQBQ-UHFFFAOYSA-N,C9H11N,133.19,133.0891494,1.2,26,122,0,1,1,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indene-1-carboxylic acid, 2,3-dihydro-6-methoxy-",62956-62-1,3047141,"6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid",COC1=CC2=C(CCC2C(=O)O)C=C1,"InChI=1S/C11H12O3/c1-14-8-4-2-7-3-5-9(11(12)13)10(7)6-8/h2,4,6,9H,3,5H2,1H3,(H,12,13)",NYAXSJZIUOHLMW-UHFFFAOYSA-N,C11H12O3,192.21,192.0786442,1.8,46.5,227,0,1,3,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Butanol, 1-((2,3-dihydro-7-methyl-1H-inden-4-yl)oxy)-3-((1-methylethyl)amino)-, (2R,3S)-rel-",72795-19-8,5484725,"(2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol",CC1=C2CCCC2=C(C=C1)OC[C@@H]([C@H](C)NC(C)C)O,"InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3/t13-,16-/m0/s1",VFIDUCMKNJIJTO-BBRMVZONSA-N,C17H27NO2,277.4,277.2041791,3.3,41.5,295,0,2,3,6,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Indanol, 1-amino-, (1S,2R)-",126456-43-7,9866743,"(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-ol",C1[C@H]([C@H](C2=CC=CC=C21)N)O,"InChI=1S/C9H11NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,8-9,11H,5,10H2/t8-,9+/m1/s1",LOPKSXMQWBYUOI-BDAKNGLRSA-N,C9H11NO,149.19,149.084064,0.2,46.3,148,0,2,2,0,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"1H-Inden-1-amine, 2,3-dihydro-N-2-propynyl-, (1R)-",136236-51-6,3052776,"(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine",C#CCN[C@@H]1CCC2=CC=CC=C12,"InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1",RUOKEQAAGRXIBM-GFCCVEGCSA-N,C12H13N,171.24,171.1047994,1.8,12,212,0,1,1,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiourea, (2,3-dihydro-2-hydroxy-1H-inden-1-yl)-, trans-",141034-14-2,3072136,"[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiourea",C1[C@H]([C@@H](C2=CC=CC=C21)NC(=S)N)O,"InChI=1S/C10H12N2OS/c11-10(14)12-9-7-4-2-1-3-6(7)5-8(9)13/h1-4,8-9,13H,5H2,(H3,11,12,14)/t8-,9-/m1/s1",VYMANYOHQDLION-RKDXNWHRSA-N,C10H12N2OS,208.28,208.0670342,0.5,90.4,234,0,3,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Inden-1-amine, 2,3-dihydro-N-2-propynyl-, (1S)-",185517-74-2,5289310,"(1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine",C#CCN[C@H]1CCC2=CC=CC=C12,"InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m0/s1",RUOKEQAAGRXIBM-LBPRGKRZSA-N,C12H13N,171.24,171.1047994,1.8,12,212,0,1,1,2,13,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-INDANOL,004254-29-9,77936,"2,3-dihydro-1H-inden-2-ol",C1C(CC2=CC=CC=C21)O,"InChI=1S/C9H10O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6H2",KMGCKSAIIHOKCX-UHFFFAOYSA-N,C9H10O,134.17,134.0731649,1.6,20.2,108,0,1,1,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINOINDANE HYDROCHLORIDE,002338-18-3,122764,"2,3-dihydro-1H-inden-2-amine;hydrochloride",C1C(CC2=CC=CC=C21)N.Cl,"InChI=1S/C9H11N.ClH/c10-9-5-7-3-1-2-4-8(7)6-9;/h1-4,9H,5-6,10H2;1H",XEHNLVMHWYPNEQ-UHFFFAOYSA-N,C9H12ClN,169.65,169.0658271,,26,108,0,2,1,0,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-INDENE-4-CARBOXYLIC ACID, 2,3-DIHYDRO-7-METHYL-",071042-74-5,116993,"7-methyl-2,3-dihydro-1H-indene-4-carboxylic acid",CC1=C2CCCC2=C(C=C1)C(=O)O,"InChI=1S/C11H12O2/c1-7-5-6-10(11(12)13)9-4-2-3-8(7)9/h5-6H,2-4H2,1H3,(H,12,13)",DLQLABWEWCIZQI-UHFFFAOYSA-N,C11H12O2,176.21,176.0837296,2.6,37.3,212,0,1,2,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-INDANOL,001470-94-6,15118,"2,3-dihydro-1H-inden-5-ol",C1CC2=C(C1)C=C(C=C2)O,"InChI=1S/C9H10O/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6,10H,1-3H2",PEHSSTUGJUBZBI-UHFFFAOYSA-N,C9H10O,134.17,134.0731649,2.4,20.2,122,0,1,1,0,10,,,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4-Indanol, 7-chloro-",145-94-8,8961,"7-chloro-2,3-dihydro-1H-inden-4-ol",C1CC2=C(C=CC(=C2C1)Cl)O,"InChI=1S/C9H9ClO/c10-8-4-5-9(11)7-3-1-2-6(7)8/h4-5,11H,1-3H2",ATAJVFBUUIBIEO-UHFFFAOYSA-N,C9H9ClO,168.62,168.0341926,3,20.2,148,0,1,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Indene-1-acetic acid, 2,3-dihydro-",38425-65-9,96501,"2-(2,3-dihydro-1H-inden-1-yl)acetic acid",C1CC2=CC=CC=C2C1CC(=O)O,"InChI=1S/C11H12O2/c12-11(13)7-9-6-5-8-3-1-2-4-10(8)9/h1-4,9H,5-7H2,(H,12,13)",RJVZEPWRJJBXLH-UHFFFAOYSA-N,C11H12O2,176.21,176.0837296,2,37.3,200,0,1,2,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-NAPHTHOQUINONE",000130-15-4,8530,"naphthalene-1,4-dione",C1=CC=C2C(=O)C=CC(=O)C2=C1,InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,FRASJONUBLZVQX-UHFFFAOYSA-N,C10H6O2,158.15,158.0367794,1.7,34.1,227,0,0,2,0,12,,"Sublimes below 212 °F (NTP, 1992)",1,0,1,1,0,0,1,1,0,0,0,0,0,0,1,0,1,1,0,1
"2-METHYL-1,4-NAPHTHOQUINONE",000058-27-5,4055,"2-methylnaphthalene-1,4-dione",CC1=CC(=O)C2=CC=CC=C2C1=O,"InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3",MJVAVZPDRWSRRC-UHFFFAOYSA-N,C11H8O2,172.18,172.0524295,2.2,34.1,288,0,0,2,0,13,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"5-AMNO-2,3-DICYANO-1,4-NAPHTHOQUINONE",068217-29-8,613915,"5-amino-1,4-dioxonaphthalene-2,3-dicarbonitrile",C1=CC2=C(C(=C1)N)C(=O)C(=C(C2=O)C#N)C#N,"InChI=1S/C12H5N3O2/c13-4-7-8(5-14)12(17)10-6(11(7)16)2-1-3-9(10)15/h1-3H,15H2",BNBGDHHYNYTXFH-UHFFFAOYSA-N,C12H5N3O2,223.19,223.0381764,1.2,108,528,0,1,5,0,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SHIKONIN,054952-43-1,5208,"5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione",CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C,"InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3",NEZONWMXZKDMKF-UHFFFAOYSA-N,C16H16O5,288.29,288.0997736,3,94.8,501,0,3,5,3,21,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-NAPHTHALENEDIONE, 2-METHOXY-",002348-82-5,16871,"2-methoxynaphthalene-1,4-dione",COC1=CC(=O)C2=CC=CC=C2C1=O,"InChI=1S/C11H8O3/c1-14-10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6H,1H3",OBGBGHKYJAOXRR-UHFFFAOYSA-N,C11H8O3,188.18,188.0473441,1.4,43.4,304,0,0,3,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-DODECYL-2-HYDROXY-1,4-NAPHTHOQUINONE ACETATE",057960-19-7,93315,"(3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate",CCCCCCCCCCCCC1=C(C(=O)C2=CC=CC=C2C1=O)OC(=O)C,"InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3",QDRXWCAVUNHOGA-UHFFFAOYSA-N,C24H32O4,384.5,384.2300595,7.6,60.4,575,0,0,4,13,28,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,1
VITAMIN K1,000084-80-0,5284607,"2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione",CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",MBWXNTAXLNYFJB-NKFFZRIASA-N,C31H46O2,450.7,450.3497807,10.9,34.1,696,0,0,2,14,33,,140-145 °C @ 0.001 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,4-NAPHTHALENEDIONE, 2-AMINO-",002348-81-4,72909,"2-aminonaphthalene-1,4-dione",C1=CC=C2C(=C1)C(=O)C=C(C2=O)N,"InChI=1S/C10H7NO2/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5H,11H2",CYCRZLRIJWDWCM-UHFFFAOYSA-N,C10H7NO2,173.17,173.0476785,1.8,60.2,293,0,1,3,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"1,4-Naphthoquinone, 2-chloro-",1010-60-2,13891,"2-chloronaphthalene-1,4-dione",C1=CC=C2C(=C1)C(=O)C=C(C2=O)Cl,InChI=1S/C10H5ClO2/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5H,CCTJHVLTAJTPBV-UHFFFAOYSA-N,C10H5ClO2,192.6,191.9978071,2.3,34.1,293,0,0,2,0,13,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"1,4-Naphthoquinone, 2,3-dimethyl-",2197-57-1,16615,"2,3-dimethylnaphthalene-1,4-dione",CC1=C(C(=O)C2=CC=CC=C2C1=O)C,"InChI=1S/C12H10O2/c1-7-8(2)12(14)10-6-4-3-5-9(10)11(7)13/h3-6H,1-2H3",LGFDNUSAWCHVJN-UHFFFAOYSA-N,C12H10O2,186.21,186.0680796,1.7,34.1,293,0,0,2,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-Naphthoquinone, 2-amino-3-chloro-",2797-51-5,17748,"2-amino-3-chloronaphthalene-1,4-dione",C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)N,"InChI=1S/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2",OBLNWSCLAYSJJR-UHFFFAOYSA-N,C10H6ClNO2,207.61,207.0087061,2.1,60.2,335,0,1,3,0,14,,,1,0,0,1,0,1,1,1,0,0,0,0,0,1,0,0,0,1,1,0
"1,4-Naphthoquinone, 2-chloro-3-(dimethylamino)-",5350-26-5,21448,"2-chloro-3-(dimethylamino)naphthalene-1,4-dione",CN(C)C1=C(C(=O)C2=CC=CC=C2C1=O)Cl,"InChI=1S/C12H10ClNO2/c1-14(2)10-9(13)11(15)7-5-3-4-6-8(7)12(10)16/h3-6H,1-2H3",QSLFQVQZSKRPHS-UHFFFAOYSA-N,C12H10ClNO2,235.66,235.0400063,2.9,37.4,373,0,0,3,1,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Acetamide, N-(1,4-dihydro-3-chloro-1,4-dioxo-2-naphthyl)-",5397-78-4,72754,"N-(3-chloro-1,4-dioxonaphthalen-2-yl)acetamide",CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)Cl,"InChI=1S/C12H8ClNO3/c1-6(15)14-10-9(13)11(16)7-4-2-3-5-8(7)12(10)17/h2-5H,1H3,(H,14,15)",OMXMYDUYAUOFRX-UHFFFAOYSA-N,C12H8ClNO3,249.65,249.0192708,0.8,63.2,427,0,1,3,1,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-Naphthalenedione, 2,3-dimethoxy-",6956-96-3,3136,"2,3-dimethoxynaphthalene-1,4-dione",COC1=C(C(=O)C2=CC=CC=C2C1=O)OC,"InChI=1S/C12H10O4/c1-15-11-9(13)7-5-3-4-6-8(7)10(14)12(11)16-2/h3-6H,1-2H3",ZEGDFCCYTFPECB-UHFFFAOYSA-N,C12H10O4,218.2,218.0579088,1.9,52.6,322,0,0,4,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-Naphthalenedione, 5,8-dihydroxy-2-((1R)-1-((2-methyl-1-oxopropyl)oxy)-4-methyl-3-pentenyl)-",52438-12-7,479500,"[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methylpropanoate",CC(C)C(=O)O[C@H](CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O,"InChI=1S/C20H22O6/c1-10(2)5-8-16(26-20(25)11(3)4)12-9-15(23)17-13(21)6-7-14(22)18(17)19(12)24/h5-7,9,11,16,21-22H,8H2,1-4H3/t16-/m1/s1",BVRYLTBIGIAADD-MRXNPFEDSA-N,C20H22O6,358.4,358.1416384,4.6,101,641,0,2,6,6,26,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-Naphthoquinone, 2-chloro-3-ethoxy-",59641-32-6,43050,"2-chloro-3-ethoxynaphthalene-1,4-dione",CCOC1=C(C(=O)C2=CC=CC=C2C1=O)Cl,"InChI=1S/C12H9ClO3/c1-2-16-12-9(13)10(14)7-5-3-4-6-8(7)11(12)15/h3-6H,2H2,1H3",YLULGOCHLLLHOM-UHFFFAOYSA-N,C12H9ClO3,236.65,236.0240218,3.1,43.4,359,0,0,3,2,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-HYDROXY-1,4-NAPHTHOQUINONE",000481-39-0,3806,"5-hydroxynaphthalene-1,4-dione",C1=CC2=C(C(=O)C=CC2=O)C(=C1)O,"InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H",KQPYUDDGWXQXHS-UHFFFAOYSA-N,C10H6O3,174.15,174.031694,1.9,54.4,280,0,1,3,0,13,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENESULFONIC ACID, 1,4-DIHYDRO-1,4-DIOXO-, POTASSIUM SALT",034169-62-5,2735097,"potassium 1,4-dioxonaphthalene-2-sulfonate",C1=CC=C2C(=C1)C(=O)C=C(C2=O)S(=O)(=O)[O-].[K+],"InChI=1S/C10H6O5S.K/c11-8-5-9(16(13,14)15)10(12)7-4-2-1-3-6(7)8;/h1-5H,(H,13,14,15);/q;+1/p-1",WZEGLRXCWYMIDO-UHFFFAOYSA-M,C10H5KO5S,276.31,275.9494759,,99.7,473,0,0,5,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-Naphthoquinone, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (+)-",517-89-5,479503,"5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione",CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C,"InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m1/s1",NEZONWMXZKDMKF-SNVBAGLBSA-N,C16H16O5,288.29,288.0997736,3,94.8,501,0,3,5,3,21,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-Naphthalenedione, 5,8-dihydroxy-2-(4-methyl-3-pentenyl)-",43043-74-9,98914,"5,8-dihydroxy-2-(4-methylpent-3-enyl)naphthalene-1,4-dione",CC(=CCCC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)C,"InChI=1S/C16H16O4/c1-9(2)4-3-5-10-8-13(19)14-11(17)6-7-12(18)15(14)16(10)20/h4,6-8,17-18H,3,5H2,1-2H3",VOMDIEGPEURZJO-UHFFFAOYSA-N,C16H16O4,272.29,272.104859,4.1,74.6,471,0,2,4,3,20,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PHOSALONE,002310-17-0,4793,"6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one",CCOP(=S)(OCC)SCN1C2=C(C=C(C=C2)Cl)OC1=O,"InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3",IOUNQDKNJZEDEP-UHFFFAOYSA-N,C12H15ClNO4PS2,367.8,366.986865,4.4,105,418,0,0,6,7,21,100 °C c.c.,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"6-BENZOXAZOLESULFONYL CHLORIDE, 2,3-DIHYDRO-2-OXO-",027685-90-1,119698,"2-oxo-3H-1,3-benzoxazole-6-sulfonyl chloride",C1=CC2=C(C=C1S(=O)(=O)Cl)OC(=O)N2,"InChI=1S/C7H4ClNO4S/c8-14(11,12)4-1-2-5-6(3-4)13-7(10)9-5/h1-3H,(H,9,10)",IBHCNMJSVDRBSY-UHFFFAOYSA-N,C7H4ClNO4S,233.63,232.9549565,1.2,80.9,349,0,1,4,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BENZOXAZOLINONE,000059-49-4,6043,"3H-1,3-benzoxazol-2-one",C1=CC=C2C(=C1)NC(=O)O2,"InChI=1S/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)",ASSKVPFEZFQQNQ-UHFFFAOYSA-N,C7H5NO2,135.12,135.0320284,1.2,38.3,158,0,1,2,0,10,,335.00 °C. @ 760.00 mm Hg,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2(3H)-BENZOXAZOLONE, 6-NITRO-",004694-91-1,78419,"6-nitro-3H-1,3-benzoxazol-2-one",C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)N2,"InChI=1S/C7H4N2O4/c10-7-8-5-2-1-4(9(11)12)3-6(5)13-7/h1-3H,(H,8,10)",JGYJZHYTADCWIK-UHFFFAOYSA-N,C7H4N2O4,180.12,180.0171066,1,84.2,249,0,1,4,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(3H)-BENZOXAZOLONE, 6-[(2-HYDROXYETHYL)SULFONYL]-",005031-74-3,78732,"6-(2-hydroxyethylsulfonyl)-3H-1,3-benzoxazol-2-one",C1=CC2=C(C=C1S(=O)(=O)CCO)OC(=O)N2,"InChI=1S/C9H9NO5S/c11-3-4-16(13,14)6-1-2-7-8(5-6)15-9(12)10-7/h1-2,5,11H,3-4H2,(H,10,12)",NLKFSULXKPSHMS-UHFFFAOYSA-N,C9H9NO5S,243.24,243.0201436,-0.3,101,374,0,2,5,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Benzoxazolinone, 5-chloro-6-hydroxy-",1750-45-4,2734,"5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one",C1=C2C(=CC(=C1Cl)O)OC(=O)N2,"InChI=1S/C7H4ClNO3/c8-3-1-4-6(2-5(3)10)12-7(11)9-4/h1-2,10H,(H,9,11)",AGLXDWOTVQZHIQ-UHFFFAOYSA-N,C7H4ClNO3,185.56,184.9879707,1.4,58.6,211,0,2,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Benzoxazolinone, 6-bromo-5-chloro-",5579-85-1,21749,"6-bromo-5-chloro-3H-1,3-benzoxazol-2-one",C1=C2C(=CC(=C1Cl)Br)OC(=O)N2,"InChI=1S/C7H3BrClNO2/c8-3-1-6-5(2-4(3)9)10-7(11)12-6/h1-2H,(H,10,11)",KVAWWXSLBDVXHJ-UHFFFAOYSA-N,C7H3BrClNO2,248.46,246.90357,2.5,38.3,214,0,1,2,0,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Benzoxazolinone, 3-allyl-",13444-14-9,25999,"3-prop-2-enyl-1,3-benzoxazol-2-one",C=CCN1C2=CC=CC=C2OC1=O,"InChI=1S/C10H9NO2/c1-2-7-11-8-5-3-4-6-9(8)13-10(11)12/h2-6H,1,7H2",JOYZQLOOESWHTK-UHFFFAOYSA-N,C10H9NO2,175.18,175.0633285,2,29.5,227,0,0,2,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-Benzoxazolinone, 5-bromo-",14733-73-4,26853,"5-bromo-3H-1,3-benzoxazol-2-one",C1=CC2=C(C=C1Br)NC(=O)O2,"InChI=1S/C7H4BrNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)",DMHTZWJRUUOALC-UHFFFAOYSA-N,C7H4BrNO2,214.02,212.94254,1.9,38.3,185,0,1,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-Benzoxazolinone, 5-amino-",14733-77-8,26856,"5-amino-3H-1,3-benzoxazol-2-one",C1=CC2=C(C=C1N)NC(=O)O2,"InChI=1S/C7H6N2O2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,8H2,(H,9,10)",GJXXUHGUCBUXSL-UHFFFAOYSA-N,C7H6N2O2,150.13,150.0429274,0.5,64.4,183,0,2,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3(2H)-Benzoxazolecarboxylic acid, 2-oxo-, ethyl ester",17280-90-9,28445,"ethyl 2-oxo-1,3-benzoxazole-3-carboxylate",CCOC(=O)N1C2=CC=CC=C2OC1=O,"InChI=1S/C10H9NO4/c1-2-14-9(12)11-7-5-3-4-6-8(7)15-10(11)13/h3-6H,2H2,1H3",GNKDZBUSDLIVPQ-UHFFFAOYSA-N,C10H9NO4,207.18,207.0531578,1.9,55.8,279,0,0,4,2,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Benzoxazolinone, 3-(2-propynyl)-",19420-41-8,29584,"3-prop-2-ynyl-1,3-benzoxazol-2-one",C#CCN1C2=CC=CC=C2OC1=O,"InChI=1S/C10H7NO2/c1-2-7-11-8-5-3-4-6-9(8)13-10(11)12/h1,3-6H,7H2",BMKFKTFCOJPUGR-UHFFFAOYSA-N,C10H7NO2,173.17,173.0476785,1.4,29.5,265,0,0,2,1,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Benzoxazolinone, 6-chloro-",19932-84-4,29858,"6-chloro-3H-1,3-benzoxazol-2-one",C1=CC2=C(C=C1Cl)OC(=O)N2,"InChI=1S/C7H4ClNO2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)",MATCZHXABVLZIE-UHFFFAOYSA-N,C7H4ClNO2,169.56,168.9930561,1.8,38.3,185,0,1,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Benzoxazolinone, 6-bromo-",19932-85-5,29859,"6-bromo-3H-1,3-benzoxazol-2-one",C1=CC2=C(C=C1Br)OC(=O)N2,"InChI=1S/C7H4BrNO2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)",DDNKJFBQMQOIKI-UHFFFAOYSA-N,C7H4BrNO2,214.02,212.94254,1.9,38.3,185,0,1,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-Benzoxazolinone, 3-methyl-",21892-80-8,30846,"3-methyl-1,3-benzoxazol-2-one",CN1C2=CC=CC=C2OC1=O,"InChI=1S/C8H7NO2/c1-9-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3",QRMRRLXXFHXMBC-UHFFFAOYSA-N,C8H7NO2,149.15,149.0476785,1.3,29.5,181,0,0,2,0,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Benzoxazolinone, 3-(2-hydroxyethyl)-",26726-75-0,33587,"3-(2-hydroxyethyl)-1,3-benzoxazol-2-one",C1=CC=C2C(=C1)N(C(=O)O2)CCO,"InChI=1S/C9H9NO3/c11-6-5-10-7-3-1-2-4-8(7)13-9(10)12/h1-4,11H,5-6H2",LRLBEYAFJPUHME-UHFFFAOYSA-N,C9H9NO3,179.17,179.0582431,0.6,49.8,207,0,1,3,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Benzoxazolinone, 5-methoxy-",40925-63-1,38715,"5-methoxy-3H-1,3-benzoxazol-2-one",COC1=CC2=C(C=C1)OC(=O)N2,"InChI=1S/C8H7NO3/c1-11-5-2-3-7-6(4-5)9-8(10)12-7/h2-4H,1H3,(H,9,10)",YOLHKYWNQMSMDN-UHFFFAOYSA-N,C8H7NO3,165.15,165.0425931,1.1,47.6,195,0,1,3,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(3H)-Benzoxazolone, 6-acetyl-",54903-09-2,689054,"6-acetyl-3H-1,3-benzoxazol-2-one",CC(=O)C1=CC2=C(C=C1)NC(=O)O2,"InChI=1S/C9H7NO3/c1-5(11)6-2-3-7-8(4-6)13-9(12)10-7/h2-4H,1H3,(H,10,12)",QXBNAXVXLAHDTE-UHFFFAOYSA-N,C9H7NO3,177.16,177.0425931,0.8,55.4,251,0,1,3,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(3H)-Benzoxazolone, 6-(chloroacetyl)-",54903-10-5,1988981,"6-(2-chloroacetyl)-3H-1,3-benzoxazol-2-one",C1=CC2=C(C=C1C(=O)CCl)OC(=O)N2,"InChI=1S/C9H6ClNO3/c10-4-7(12)5-1-2-6-8(3-5)14-9(13)11-6/h1-3H,4H2,(H,11,13)",KOOWFDRPKXUCRF-UHFFFAOYSA-N,C9H6ClNO3,211.6,211.0036207,1.5,55.4,269,0,1,3,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Benzoxazolecarboxaldehyde, 2,3-dihydro-2-oxo-",54903-15-0,391474,"2-oxo-3H-1,3-benzoxazole-6-carbaldehyde",C1=CC2=C(C=C1C=O)OC(=O)N2,"InChI=1S/C8H5NO3/c10-4-5-1-2-6-7(3-5)12-8(11)9-6/h1-4H,(H,9,11)",IMJHZVCEOBDHMM-UHFFFAOYSA-N,C8H5NO3,163.13,163.026943,0.6,55.4,216,0,1,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(3H)-Benzoxazolone, 6-(chloroacetyl)-3-methyl-",54903-62-7,3042975,"6-(2-chloroacetyl)-3-methyl-1,3-benzoxazol-2-one",CN1C2=C(C=C(C=C2)C(=O)CCl)OC1=O,"InChI=1S/C10H8ClNO3/c1-12-7-3-2-6(8(13)5-11)4-9(7)15-10(12)14/h2-4H,5H2,1H3",VDISGHMLFHYHFJ-UHFFFAOYSA-N,C10H8ClNO3,225.63,225.0192708,1.6,46.6,294,0,0,3,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(3H)-BENZOXAZOLONE, 5-CHLORO-",000095-25-0,2733,"5-chloro-3H-1,3-benzoxazol-2-one",C1=CC2=C(C=C1Cl)NC(=O)O2,"InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)",TZFWDZFKRBELIQ-UHFFFAOYSA-N,C7H4ClNO2,169.56,168.9930561,1.8,38.3,185,0,1,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Benzoxazolecarboxaldehyde, 2,3-dihydro-1-methyl-2-oxo-",54903-66-1,3042977,"3-methyl-2-oxo-1,3-benzoxazole-6-carbaldehyde",CN1C2=C(C=C(C=C2)C=O)OC1=O,"InChI=1S/C9H7NO3/c1-10-7-3-2-6(5-11)4-8(7)13-9(10)12/h2-5H,1H3",VNHQFRPZBXFNTO-UHFFFAOYSA-N,C9H7NO3,177.16,177.0425931,0.8,46.6,241,0,0,3,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SUCCINIC ANHYDRIDE,000108-30-5,7922,"oxolane-2,5-dione",C1CC(=O)OC1=O,InChI=1S/C4H4O3/c5-3-1-2-4(6)7-3/h1-2H2,RINCXYDBBGOEEQ-UHFFFAOYSA-N,C4H4O3,100.07,100.016044,-0.5,43.4,102,0,0,3,0,7,157 °C,"502 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0
"2,5-FURANDIONE, 3,3,4,4-TETRAFLUORODIHYDRO-",000699-30-9,69686,"3,3,4,4-tetrafluorooxolane-2,5-dione",C1(=O)C(C(C(=O)O1)(F)F)(F)F,"InChI=1S/C4F4O3/c5-3(6)1(9)11-2(10)4(3,7)8",ZLVLNNCBGQYRAB-UHFFFAOYSA-N,C4F4O3,172.03,171.9783565,1,43.4,209,0,0,7,0,11,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-FURANDIONE, DIHYDRO-3-(PENTAPROPENYL)-",078683-74-6,5748778,"(3S)-3-[(3S)-oct-1-en-3-yl]oxolane-2,5-dione",CCCCC[C@@H](C=C)[C@@H]1CC(=O)OC1=O,"InChI=1S/C12H18O3/c1-3-5-6-7-9(4-2)10-8-11(13)15-12(10)14/h4,9-10H,2-3,5-8H2,1H3/t9-,10+/m1/s1",RYNKSPIWLXKJHG-ZJUUUORDSA-N,C12H18O3,210.27,210.1255944,3.2,43.4,258,0,0,3,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
NONENYL SUCCINIC ANHYDRIDE,028928-97-4,5354806,"3-[(E)-non-1-enyl]oxolane-2,5-dione",CCCCCCC/C=C/C1CC(=O)OC1=O,"InChI=1S/C13H20O3/c1-2-3-4-5-6-7-8-9-11-10-12(14)16-13(11)15/h8-9,11H,2-7,10H2,1H3/b9-8+",FGQUIQAGZLBOGL-CMDGGOBGSA-N,C13H20O3,224.3,224.1412445,3.8,43.4,268,0,0,3,7,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ISO-BUTENYL SUCCINIC ANHYDRIDE,018908-20-8,225375,"3-(2-methylprop-2-enyl)oxolane-2,5-dione",CC(=C)CC1CC(=O)OC1=O,"InChI=1S/C8H10O3/c1-5(2)3-6-4-7(9)11-8(6)10/h6H,1,3-4H2,2H3",ANPMHDUGFOMMJJ-UHFFFAOYSA-N,C8H10O3,154.16,154.0629942,1.3,43.4,217,0,0,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-(2-DODECENYL)DIHYDRO-2,5-FURANDIONE",019780-11-1,5362708,"3-[(E)-dodec-2-enyl]oxolane-2,5-dione",CCCCCCCCC/C=C/CC1CC(=O)OC1=O,"InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h10-11,14H,2-9,12-13H2,1H3/b11-10+",UYCICMIUKYEYEU-ZHACJKMWSA-N,C16H26O3,266.38,266.1881947,5.1,43.4,307,0,0,3,10,19,"352 °F (NTP, 1992)","356 to 360 °F at 5 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"DIHYDRO-3-(OCTENYL)-2,5-FURANDIONE",026680-54-6,5362721,"3-[(E)-oct-1-enyl]oxolane-2,5-dione",CCCCCC/C=C/C1CC(=O)OC1=O,"InChI=1S/C12H18O3/c1-2-3-4-5-6-7-8-10-9-11(13)15-12(10)14/h7-8,10H,2-6,9H2,1H3/b8-7+",FLISWPFVWWWNNP-BQYQJAHWSA-N,C12H18O3,210.27,210.1255944,3.2,43.4,256,0,0,3,6,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"2,5-FURANDIONE, DIHYDRO-3-METHYL-",004100-80-5,20051,"3-methyloxolane-2,5-dione",CC1CC(=O)OC1=O,"InChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h3H,2H2,1H3",DFATXMYLKPCSCX-UHFFFAOYSA-N,C5H6O3,114.1,114.031694,0.1,43.4,139,0,0,3,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANETHIOIC ACID, S-(TETRAHYDRO-2,5-DIOXO-3-FURANYL) ESTER",006953-60-2,97914,"S-(2,5-dioxooxolan-3-yl) ethanethioate",CC(=O)SC1CC(=O)OC1=O,"InChI=1S/C6H6O4S/c1-3(7)11-4-2-5(8)10-6(4)9/h4H,2H2,1H3",AHTFMWCHTGEJHA-UHFFFAOYSA-N,C6H6O4S,174.18,173.9986798,0.1,85.7,223,0,0,5,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-FURANDIONE, 3-(2-HEXENYL)DIHYDRO-",010500-34-2,112055,"3-hex-2-enyloxolane-2,5-dione",CCCC=CCC1CC(=O)OC1=O,"InChI=1S/C10H14O3/c1-2-3-4-5-6-8-7-9(11)13-10(8)12/h4-5,8H,2-3,6-7H2,1H3",VWXVGDSPDMSWFP-UHFFFAOYSA-N,C10H14O3,182.22,182.0942943,1.9,43.4,230,0,0,3,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-FURANDIONE, 3-(DOCOSENYL)DIHYDRO-",058598-42-8,6436718,"3-[(E)-docos-10-enyl]oxolane-2,5-dione",CCCCCCCCCCC/C=C/CCCCCCCCCC1CC(=O)OC1=O,"InChI=1S/C26H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23-25(27)29-26(24)28/h12-13,24H,2-11,14-23H2,1H3/b13-12+",PYGZRGQVVVNPHG-OUKQBFOZSA-N,C26H46O3,406.6,406.3446953,10.4,43.4,441,0,0,3,20,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,5-FURANDIONE, DIHYDRO-3-(2-OCTADECENYL)-",067066-88-0,106703,"3-octadec-2-enyloxolane-2,5-dione",CCCCCCCCCCCCCCCC=CCC1CC(=O)OC1=O,"InChI=1S/C22H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21(23)25-22(20)24/h16-17,20H,2-15,18-19H2,1H3",KLAIOABSDQUNSA-UHFFFAOYSA-N,C22H38O3,350.5,350.2820951,8.4,43.4,387,0,0,3,16,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
OCTADECYL SUCCINIC ANHYDRIDE,047458-32-2,96562,"3-octadecyloxolane-2,5-dione",CCCCCCCCCCCCCCCCCCC1CC(=O)OC1=O,"InChI=1S/C22H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21(23)25-22(20)24/h20H,2-19H2,1H3",ZJFCVUTYZHUNSW-UHFFFAOYSA-N,C22H40O3,352.6,352.2977451,9.1,43.4,351,0,0,3,17,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
3-(TRIETHOXYSILYL)PROPYLSUCCINIC ANHYDRIDE,093642-68-3,3022158,"3-(3-triethoxysilylpropyl)oxolane-2,5-dione",CCO[Si](CCCC1CC(=O)OC1=O)(OCC)OCC,"InChI=1S/C13H24O6Si/c1-4-16-20(17-5-2,18-6-3)9-7-8-11-10-12(14)19-13(11)15/h11H,4-10H2,1-3H3",GXDMUOPCQNLBCZ-UHFFFAOYSA-N,C13H24O6Si,304.41,304.134215,,71.1,316,0,0,6,10,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,5-FURANDIONE, 3-HEXADECYLDIHYDRO-",004200-91-3,77868,"3-hexadecyloxolane-2,5-dione",CCCCCCCCCCCCCCCCC1CC(=O)OC1=O,"InChI=1S/C20H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19(21)23-20(18)22/h18H,2-17H2,1H3",GBBHWGRJHHNAGT-UHFFFAOYSA-N,C20H36O3,324.5,324.266445,8,43.4,325,0,0,3,15,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Succinic anhydride, decyl-",18470-76-3,86743,"3-decyloxolane-2,5-dione",CCCCCCCCCCC1CC(=O)OC1=O,"InChI=1S/C14H24O3/c1-2-3-4-5-6-7-8-9-10-12-11-13(15)17-14(12)16/h12H,2-11H2,1H3",YOWKKGPNCDIFFB-UHFFFAOYSA-N,C14H24O3,240.34,240.1725446,4.8,43.4,248,0,0,3,9,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"MALEIC ANHYDRIDE-1,4-13C2",,10103128,"(2,5-13C2)oxolane-2,5-dione",C1C[13C](=O)O[13C]1=O,"InChI=1S/C4H4O3/c5-3-1-2-4(6)7-3/h1-2H2/i3+1,4+1",RINCXYDBBGOEEQ-CQDYUVAPSA-N,C4H4O3,102.06,102.0227537,-0.5,43.4,102,0,0,3,0,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,1,1,0,0
"DIHYDRO-3-(TETRAPROPENYL)-2,5-FURANDIONE",026544-38-7,6438029,"3-[(E)-dodec-9-enyl]oxolane-2,5-dione",CC/C=C/CCCCCCCCC1CC(=O)OC1=O,"InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h3-4,14H,2,5-13H2,1H3/b4-3+",AMEIILZCUWMPEV-ONEGZZNKSA-N,C16H26O3,266.38,266.1881947,5,43.4,307,0,0,3,10,19,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"2,5-FURANDIONE, DIHYDRO-3-OCTYL-",004200-92-4,77869,"3-octyloxolane-2,5-dione",CCCCCCCCC1CC(=O)OC1=O,"InChI=1S/C12H20O3/c1-2-3-4-5-6-7-8-10-9-11(13)15-12(10)14/h10H,2-9H2,1H3",OAJCSERLBQROJC-UHFFFAOYSA-N,C12H20O3,212.28,212.1412445,3.7,43.4,223,0,0,3,7,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,5-FURANDIONE, 3-(HEXADECENYL)DIHYDRO-",032072-96-1,5354625,"3-[(E)-hexadec-1-enyl]oxolane-2,5-dione",CCCCCCCCCCCCCC/C=C/C1CC(=O)OC1=O,"InChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19(21)23-20(18)22/h15-16,18H,2-14,17H2,1H3/b16-15+",RSPWVGZWUBNLQU-FOCLMDBBSA-N,C20H34O3,322.5,322.2507949,7.5,43.4,360,0,0,3,14,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"2,5-FURANDIONE, 3-DODECYLDIHYDRO-",002561-85-5,98107,"3-dodecyloxolane-2,5-dione",CCCCCCCCCCCCC1CC(=O)OC1=O,"InChI=1S/C16H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h14H,2-13H2,1H3",YAXXOCZAXKLLCV-UHFFFAOYSA-N,C16H28O3,268.39,268.2038448,5.9,43.4,273,0,0,3,11,19,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Succinic anhydride, allyl-",7539-12-0,111009,"3-prop-2-enyloxolane-2,5-dione",C=CCC1CC(=O)OC1=O,"InChI=1S/C7H8O3/c1-2-3-5-4-6(8)10-7(5)9/h2,5H,1,3-4H2",WUMMIJWEUDHZCL-UHFFFAOYSA-N,C7H8O3,140.14,140.0473441,0.7,43.4,183,0,0,3,2,10,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
NICKELOCENE,001271-28-9,62390,"bis(cyclopenta-1,3-diene);nickel(2+)",[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Ni+2],InChI=1S/2C5H5.Ni/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2,KZPXREABEBSAQM-UHFFFAOYSA-N,C10H10Ni,188.88,188.013592,,0,11,0,0,2,0,11,"39 °F (8-10% solution in toluene) (NTP, 1992)",,0,0,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,1,0,0
BIS(CYCLOPENTADIENYL)MAGNESIUM,001284-72-6,24942211,"magnesium bis(cyclopenta-1,3-diene)",[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Mg+2],InChI=1S/2C5H5.Mg/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2,WGESBNRUPISICS-UHFFFAOYSA-N,C10H10Mg,154.49,154.063292,,0,11,0,0,2,0,11,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,0
ACETYLFERROCENE,001271-55-2,228207,"cyclopenta-1,3-diene;1-cyclopenta-1,3-dien-1-ylethanone;iron(2+)",CC(=O)C1=CC=C[CH-]1.[CH-]1C=CC=C1.[Fe+2],"InChI=1S/C7H7O.C5H5.Fe/c1-6(8)7-4-2-3-5-7;1-2-4-5-3-1;/h2-5H,1H3;1-5H;/q2*-1;+2",SPKJCVZOZISLEI-UHFFFAOYSA-N,C12H12FeO,228.07,228.023751,,17.1,152,0,0,3,1,14,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BIS(CYCLOPENTADIENYL)VANADIUM DICHLORIDE,012083-48-6,76030732,"bis(cyclopenta-1,3-diene);vanadium(4+);dichloride",[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Cl-].[Cl-].[V+4],InChI=1S/2C5H5.2ClH.V/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q2*-1;;;+4/p-2,CFTPQBADCNYKCN-UHFFFAOYSA-L,C10H10Cl2V,252.03,250.959913,,0,11,0,0,4,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"[1,1'-BIS(DI-TERT-BUTYLPHOSPHINE)FERROCENE]DICHLOROPALLADIUM(II)",095408-45-0,71310826,"bis(ditert-butyl(cyclopenta-1,3-dien-1-yl)phosphane);dichloropalladium;iron(2+)",CC(C)(C)P(C1=CC=C[CH-]1)C(C)(C)C.CC(C)(C)P(C1=CC=C[CH-]1)C(C)(C)C.Cl[Pd]Cl.[Fe+2],"InChI=1S/2C13H22P.2ClH.Fe.Pd/c2*1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;;;;/h2*7-10H,1-6H3;2*1H;;/q2*-1;;;2*+2/p-2",LZWLLMFYVGUUAL-UHFFFAOYSA-L,C26H44Cl2FeP2Pd,651.7,650.06795,,0,165,0,0,2,6,32,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
FERROCENIUM TETRAFLUOROBORATE,001282-37-7,15492795,"bis(cyclopenta-1,3-diene);iron(3+);tetrafluoroborate",[B-](F)(F)(F)F.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+3],"InChI=1S/2C5H5.BF4.Fe/c2*1-2-4-5-3-1;2-1(3,4)5;/h2*1-5H;;/q3*-1;+3",HOUMJOPJFCQTEL-UHFFFAOYSA-N,C10H10BF4Fe,272.84,273.016104,,0,72,0,0,7,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
FERROCENIUM HEXAFLUOROPHOSPHATE,011077-24-0,12107265,"bis(cyclopenta-1,3-diene);iron(3+);hexafluorophosphate",[CH-]1C=CC=C1.[CH-]1C=CC=C1.F[P-](F)(F)(F)(F)F.[Fe+3],"InChI=1S/2C5H5.F6P.Fe/c2*1-2-4-5-3-1;1-7(2,3,4,5)6;/h2*1-5H;;/q3*-1;+3",KCBDEJRPOSJAEZ-UHFFFAOYSA-N,C10H10F6FeP,330.99,330.977367,,0,116,0,0,9,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FERROCENECARBOXALDEHYDE,012093-10-6,15205657,"cyclopenta-1,3-diene;cyclopenta-1,3-diene-1-carbaldehyde;iron(2+)",[CH-]1C=CC=C1.[CH-]1C=CC=C1C=O.[Fe+2],InChI=1S/C6H5O.C5H5.Fe/c7-5-6-3-1-2-4-6;1-2-4-5-3-1;/h1-5H;1-5H;/q2*-1;+2,MQHZGUNMWQBVDK-UHFFFAOYSA-N,C11H10FeO,214.04,214.0081,,17.1,121,0,0,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MOLYBDOCENE DICHLORIDE,012184-22-4,3081424,"bis(cyclopenta-1,3-diene);molybdenum(4+);dichloride",[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Cl-].[Cl-].[Mo+4],InChI=1S/2C5H5.2ClH.Mo/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q2*-1;;;+4/p-2,KJXKHGDHXCOQTK-UHFFFAOYSA-L,C10H10Cl2Mo,297,297.921359,,0,11,0,0,4,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIMETHYLAMINOMETHYLFERROCENE",001271-86-9,102082,"cyclopenta-1,3-diene;1-cyclopenta-1,3-dien-1-yl-N,N-dimethylmethanamine;iron(2+)",CN(C)CC1=CC=C[CH-]1.[CH-]1C=CC=C1.[Fe+2],"InChI=1S/C8H12N.C5H5.Fe/c1-9(2)7-8-5-3-4-6-8;1-2-4-5-3-1;/h3-6H,7H2,1-2H3;1-5H;/q2*-1;+2",ISDNRMKSXGICTM-UHFFFAOYSA-N,C13H17FeN,243.13,243.071035,,3.2,132,0,0,3,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ammonium, (ferrocenylmethyl)trimethyl-, iodide",12086-40-7,114593,"cyclopenta-1,3-diene;cyclopenta-1,4-dien-1-ylmethyl(trimethyl)azanium;iron(2+);iodide",C[N+](C)(C)CC1=C[CH-]C=C1.[CH-]1C=CC=C1.[Fe+2].[I-],"InChI=1S/C9H15N.C5H5.Fe.HI/c1-10(2,3)8-9-6-4-5-7-9;1-2-4-5-3-1;;/h4-7H,8H2,1-3H3;1-5H;;1H/q;-1;+2;/p-1",JIXIGMAACRMMNM-UHFFFAOYSA-M,C14H20FeIN,385.06,384.99898,,0,107,0,0,3,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DICARBONYLCYCLOPENTADIENYLIRON DIMER,038117-54-3,44630214,"carbon monoxide;bis(cyclopenta-1,3-diene);bis(iron(2+));methanone",[CH-]=O.[CH-]=O.[C-]#[O+].[C-]#[O+].[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].[Fe+2],InChI=1S/2C5H5.2CHO.2CO.2Fe/c2*1-2-4-5-3-1;4*1-2;;/h2*1-5H;2*1H;;;;/q4*-1;;;2*+2,FMOYQLHCKHIWFF-UHFFFAOYSA-N,C14H12Fe2O4,355.93,355.94343,,36.1,45,0,0,8,0,20,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BIS(CYCLOPENTADIENYL) ZIRCONIUM DICHLORIDE,001291-32-3,102092,"bis(cyclopenta-1,3-diene);dichlorozirconium(2+)",[CH-]1C=CC=C1.[CH-]1C=CC=C1.Cl[Zr+2]Cl,InChI=1S/2C5H5.2ClH.Zr/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q2*-1;;;+4/p-2,QMBQEXOLIRBNPN-UHFFFAOYSA-L,C10H10Cl2Zr,292.31,289.920654,,0,71,0,0,2,0,13,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
FERROCENEACETIC ACID,001287-16-7,6477725,"cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylacetic acid;iron(2+)",[CH-]1C=CC=C1.[CH-]1C=CC=C1CC(=O)O.[Fe+2],"InChI=1S/C7H7O2.C5H5.Fe/c8-7(9)5-6-3-1-2-4-6;1-2-4-5-3-1;/h1-4H,5H2,(H,8,9);1-5H;/q2*-1;+2",MOUVOWJUMAKBBM-UHFFFAOYSA-N,C12H12FeO2,244.07,244.018665,,37.3,115,0,1,4,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,1'-FERROCENEDICARBOXYLIC ACID",001293-87-4,228209,"bis(cyclopenta-1,3-diene-1-carboxylic acid);iron(2+)",[CH-]1C=CC=C1C(=O)O.[CH-]1C=CC=C1C(=O)O.[Fe+2],"InChI=1S/2C6H5O2.Fe/c2*7-6(8)5-3-1-2-4-5;/h2*1-4H,(H,7,8);/q2*-1;+2",LDSUEKXPKCHROT-UHFFFAOYSA-N,C12H10FeO4,274.05,273.992844,,74.6,229,0,2,6,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-BENZOFURAN",000271-89-6,9223,1-benzofuran,C1=CC=C2C(=C1)C=CO2,InChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H,IANQTJSKSUMEQM-UHFFFAOYSA-N,C8H6O,118.13,118.0418648,2.7,13.1,101,0,0,1,0,9,"133 °F (NTP, 1992)","345 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0
BENZO[B]FURAN-2-BORONIC ACID,098437-24-2,2776266,1-benzofuran-2-ylboronic acid,B(C1=CC2=CC=CC=C2O1)(O)O,"InChI=1S/C8H7BO3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H",PKRRNTJIHGOMRC-UHFFFAOYSA-N,C8H7BO3,161.95,162.0488242,,53.6,162,0,2,3,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOFURAN, 2,3-DIMETHYL-",003782-00-1,2734646,"2,3-dimethyl-1-benzofuran",CC1=C(OC2=CC=CC=C12)C,"InChI=1S/C10H10O/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6H,1-2H3",YGBXXWTZWLALGR-UHFFFAOYSA-N,C10H10O,146.19,146.0731649,3.1,13.1,144,0,0,1,0,11,,101.00 to 102.00 °C. @ 19.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-BENZOFURANCARBOXALDEHYDE,004265-16-1,61341,1-benzofuran-2-carbaldehyde,C1=CC=C2C(=C1)C=C(O2)C=O,InChI=1S/C9H6O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6H,ADDZHRRCUWNSCS-UHFFFAOYSA-N,C9H6O2,146.14,146.0367794,2.3,30.2,156,0,0,2,1,11,,130.00 to 131.00 °C. @ 13.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BENZOFURANCARBOXYLIC ACID,000496-41-3,10331,1-benzofuran-2-carboxylic acid,C1=CC=C2C(=C1)C=C(O2)C(=O)O,"InChI=1S/C9H6O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)",OFFSPAZVIVZPHU-UHFFFAOYSA-N,C9H6O3,162.14,162.031694,2.4,50.4,190,0,1,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOFURAN, 2-ETHYL-",003131-63-3,76582,2-ethyl-1-benzofuran,CCC1=CC2=CC=CC=C2O1,"InChI=1S/C10H10O/c1-2-9-7-8-5-3-4-6-10(8)11-9/h3-7H,2H2,1H3",KJHYAEZMOHLVCH-UHFFFAOYSA-N,C10H10O,146.19,146.0731649,3.2,13.1,133,0,0,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-(2-BENZOFURANYL)-",001646-26-0,15435,1-(1-benzofuran-2-yl)ethanone,CC(=O)C1=CC2=CC=CC=C2O1,"InChI=1S/C10H8O2/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-6H,1H3",YUTFQTAITWWGFH-UHFFFAOYSA-N,C10H8O2,160.17,160.0524295,2.6,30.2,188,0,0,2,1,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Benzofuran, 2-cyanoacetyl-",5149-69-9,21232,3-(1-benzofuran-2-yl)-3-oxopropanenitrile,C1=CC=C2C(=C1)C=C(O2)C(=O)CC#N,"InChI=1S/C11H7NO2/c12-6-5-9(13)11-7-8-3-1-2-4-10(8)14-11/h1-4,7H,5H2",GCABLKFGYPIVFC-UHFFFAOYSA-N,C11H7NO2,185.18,185.0476785,2.2,54,278,0,0,3,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzofuran, 5-methoxy-",13391-28-1,25943,5-methoxy-1-benzofuran,COC1=CC2=C(C=C1)OC=C2,"InChI=1S/C9H8O2/c1-10-8-2-3-9-7(6-8)4-5-11-9/h2-6H,1H3",JJXPTUWJVQUHKN-UHFFFAOYSA-N,C9H8O2,148.16,148.0524295,2.3,22.4,136,0,0,2,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Benzofurancarboxaldehyde, 5-methoxy-",23145-19-9,31663,5-methoxy-1-benzofuran-2-carbaldehyde,COC1=CC2=C(C=C1)OC(=C2)C=O,"InChI=1S/C10H8O3/c1-12-8-2-3-10-7(4-8)5-9(6-11)13-10/h2-6H,1H3",OPAYERWEZXLSFC-UHFFFAOYSA-N,C10H8O3,176.17,176.0473441,2.1,39.4,193,0,0,3,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-Benzofurancarbonyl chloride,41717-28-6,38949,1-benzofuran-2-carbonyl chloride,C1=CC=C2C(=C1)C=C(O2)C(=O)Cl,InChI=1S/C9H5ClO2/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,ZJDRDTZQVOCKPI-UHFFFAOYSA-N,C9H5ClO2,180.59,179.9978071,3.4,30.2,193,0,0,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Ketone, 7-methoxy-2-benzofuranyl methyl",43071-52-9,39378,1-(7-methoxy-1-benzofuran-2-yl)ethanone,CC(=O)C1=CC2=C(O1)C(=CC=C2)OC,"InChI=1S/C11H10O3/c1-7(12)10-6-8-4-3-5-9(13-2)11(8)14-10/h3-6H,1-2H3",MUUMFANQVPWPFY-UHFFFAOYSA-N,C11H10O3,190.19,190.0629942,2.3,39.4,227,0,0,3,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Benzofuranethanamine, alpha-methyl-, hydrochloride (1:1)",286834-80-8,9837231,1-(1-benzofuran-5-yl)propan-2-amine;hydrochloride,CC(CC1=CC2=C(C=C1)OC=C2)N.Cl,"InChI=1S/C11H13NO.ClH/c1-8(12)6-9-2-3-11-10(7-9)4-5-13-11;/h2-5,7-8H,6,12H2,1H3;1H",NFQIXCQPRSHUTF-UHFFFAOYSA-N,C11H14ClNO,211.69,211.0763918,,39.2,171,0,2,2,2,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-Benzofurancarboxaldehyde, 2-(1,3-benzodioxol-5-yl)-2,3-dihydro-7-methoxy-3-methyl-, (2R,3R)-",,2773875,1-benzofuran-5-carbaldehyde,C1=CC2=C(C=CO2)C=C1C=O,InChI=1S/C9H6O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-6H,LLLBDLDNTMMZHL-UHFFFAOYSA-N,C9H6O2,146.14,146.0367794,1.8,30.2,156,0,0,2,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6-Benzofuranol, 5-(4',5'-dihydro-3-(3-hydroxyphenyl)-1,1'-diphenyl(4,5'-bi-1H-pyrazol)-3'-yl)-4,7-dimethoxy-",,128844,1-benzofuran-6-ol,C1=CC(=CC2=C1C=CO2)O,"InChI=1S/C8H6O2/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,9H",UVJMVWURCUYFFK-UHFFFAOYSA-N,C8H6O2,134.13,134.0367794,2,33.4,124,0,1,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4-Benzofuranol, 2-(3-hydroxy-5-methoxy-4-(3-methyl-2-butenyl)phenyl)-",,11607921,1-benzofuran-4-ol,C1=CC(=C2C=COC2=C1)O,"InChI=1S/C8H6O2/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,9H",CFBCZETZIPZOGW-UHFFFAOYSA-N,C8H6O2,134.13,134.0367794,2,33.4,124,0,1,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-Benzofurancarbonitrile,41717-32-2,38950,1-benzofuran-2-carbonitrile,C1=CC=C2C(=C1)C=C(O2)C#N,InChI=1S/C9H5NO/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H,ZQGAXHXHVKVERC-UHFFFAOYSA-N,C9H5NO,143.14,143.0371138,2.6,36.9,193,0,0,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanol, 2-tert-butylamino-1-(7-ethyl-2-benzofuranyl)-, hydrochloride",59652-29-8,151573,2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol;hydrochloride,CCC1=CC=CC2=C1OC(=C2)C(CNC(C)(C)C)O.Cl,"InChI=1S/C16H23NO2.ClH/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4;/h6-9,13,17-18H,5,10H2,1-4H3;1H",KJBONRGCLLBWCJ-UHFFFAOYSA-N,C16H24ClNO2,297.82,297.1495567,,45.4,287,0,3,3,5,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Benzofurancarboxylic acid, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, hydrochloride, endo-",126841-89-2,595655,1-benzofuran-3-carboxylic acid,C1=CC=C2C(=C1)C(=CO2)C(=O)O,"InChI=1S/C9H6O3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5H,(H,10,11)",BENJFDPHDCGUAQ-UHFFFAOYSA-N,C9H6O3,162.14,162.031694,1.9,50.4,190,0,1,3,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzofuran-2-carboxamide, 5-(acetylamino)-N-(2-(((1S)-1-(chloromethyl)-2,3-dihydro-5-hydroxy-1H-benzo(e)indol-3-yl)carbonyl)-1H-indol-5-yl)-",,687121,1-benzofuran-2-carboxamide,C1=CC=C2C(=C1)C=C(O2)C(=O)N,"InChI=1S/C9H7NO2/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H2,10,11)",QHKJIJXBJCOABP-UHFFFAOYSA-N,C9H7NO2,161.16,161.0476785,1.8,56.2,193,0,1,2,1,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,4'-BIS(CHLOROMETHYL)-2,2'-BIPYRIDYL",138219-98-4,10562811,4-(chloromethyl)-2-[4-(chloromethyl)-2-pyridinyl]pyridine,C1=CN=C(C=C1CCl)C2=NC=CC(=C2)CCl,"InChI=1S/C12H10Cl2N2/c13-7-9-1-3-15-11(5-9)12-6-10(8-14)2-4-16-12/h1-6H,7-8H2",VZKSOWFFOHQARA-UHFFFAOYSA-N,C12H10Cl2N2,253.12,252.0221037,2.3,25.8,191,0,0,2,3,16,,,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,0
"4,4'-DIBROMO-2,2'-BYPYRIDINE",018511-71-2,15569987,4-bromo-2-(4-bromo-2-pyridinyl)pyridine,C1=CN=C(C=C1Br)C2=NC=CC(=C2)Br,InChI=1S/C10H6Br2N2/c11-7-1-3-13-9(5-7)10-6-8(12)2-4-14-10/h1-6H,KIIHBDSNVJRWFY-UHFFFAOYSA-N,C10H6Br2N2,313.98,313.88772,2.9,25.8,169,0,0,2,1,14,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,2'-BIPYRIDINE",000366-18-7,1474,2-pyridin-2-ylpyridine,C1=CC=NC(=C1)C2=CC=CC=N2,InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H,ROFVEXUMMXZLPA-UHFFFAOYSA-N,C10H8N2,156.18,156.0687483,1.7,25.8,120,0,0,2,1,12,121 °C,273.5 °C,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"(2,2'-BIPYRIDINE)DICHLOROPLATINUM(II)",013965-31-6,6099922,dichloroplatinum;2-pyridin-2-ylpyridine,C1=CC=NC(=C1)C2=CC=CC=N2.Cl[Pt]Cl,InChI=1S/C10H8N2.2ClH.Pt/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h1-8H;2*1H;/q;;;+2/p-2,YVQNEQKKLNWXEM-UHFFFAOYSA-L,C10H8Cl2N2Pt,422.2,420.971248,,25.8,123,0,0,2,1,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5,5'-DIMETHYL-2,2'-BIPYRIDINE",001762-34-1,15664,5-methyl-2-(5-methyl-2-pyridinyl)pyridine,CC1=CN=C(C=C1)C2=NC=C(C=C2)C,"InChI=1S/C12H12N2/c1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-8H,1-2H3",PTRATZCAGVBFIQ-UHFFFAOYSA-N,C12H12N2,184.24,184.1000484,2.2,25.8,161,0,0,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"[2,2'-BIPYRIDINE]-5,5'-DICARBOXALDEHYDE",135822-72-9,15547968,6-(5-formyl-2-pyridinyl)pyridine-3-carbaldehyde,C1=CC(=NC=C1C=O)C2=NC=C(C=C2)C=O,InChI=1S/C12H8N2O2/c15-7-9-1-3-11(13-5-9)12-4-2-10(8-16)6-14-12/h1-8H,SUQGULAGAKSTIB-UHFFFAOYSA-N,C12H8N2O2,212.2,212.0585775,0.4,59.9,231,0,0,4,3,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"[2,2'-BIPYRIDINE]-5,5'-DICARBONITRILE",001802-29-5,11052781,6-(5-cyano-2-pyridinyl)pyridine-3-carbonitrile,C1=CC(=NC=C1C#N)C2=NC=C(C=C2)C#N,"InChI=1S/C12H6N4/c13-5-9-1-3-11(15-7-9)12-4-2-10(6-14)8-16-12/h1-4,7-8H",HFGASMNBMUOCGQ-UHFFFAOYSA-N,C12H6N4,206.2,206.0592462,0.9,73.4,299,0,0,4,1,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-DIAMINO-2,2'-BIPYRIDYL",018511-69-8,191515,2-(4-amino-2-pyridinyl)pyridin-4-amine,C1=CN=C(C=C1N)C2=NC=CC(=C2)N,"InChI=1S/C10H10N4/c11-7-1-3-13-9(5-7)10-6-8(12)2-4-14-10/h1-6H,(H2,11,13)(H2,12,14)",WTHJTVKLMSJXEV-UHFFFAOYSA-N,C10H10N4,186.21,186.0905463,0.1,77.8,165,0,2,4,1,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"[2,2'-BIPYRIDINE]-6,6'-DICARBONITRILE",004411-83-0,3491825,6-(6-cyano-2-pyridinyl)pyridine-2-carbonitrile,C1=CC(=NC(=C1)C2=CC=CC(=N2)C#N)C#N,InChI=1S/C12H6N4/c13-7-9-3-1-5-11(15-9)12-6-2-4-10(8-14)16-12/h1-6H,KTYGOEZHIBSNMW-UHFFFAOYSA-N,C12H6N4,206.2,206.0592462,1.6,73.4,299,0,0,4,1,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4,4'-DIMETHYL-2,2'-DIPYRIDYL",001134-35-6,14338,4-methyl-2-(4-methyl-2-pyridinyl)pyridine,CC1=CC(=NC=C1)C2=NC=CC(=C2)C,"InChI=1S/C12H12N2/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3-8H,1-2H3",NBPGPQJFYXNFKN-UHFFFAOYSA-N,C12H12N2,184.24,184.1000484,2.2,25.8,161,0,0,2,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-Dinonyl-2,2'-Dipyridyl",142646-58-0,4285174,4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine,CCCCCCCCCC1=CC(=NC=C1)C2=NC=CC(=C2)CCCCCCCCC,"InChI=1S/C28H44N2/c1-3-5-7-9-11-13-15-17-25-19-21-29-27(23-25)28-24-26(20-22-30-28)18-16-14-12-10-8-6-4-2/h19-24H,3-18H2,1-2H3",VHJFWJXYEWHCGD-UHFFFAOYSA-N,C28H44N2,408.7,408.3504494,10.7,25.8,347,0,0,2,17,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-BIS(HYDROXYMETHYL)-2,2'-BIPYRIDINE",109073-77-0,11160239,[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol,C1=CN=C(C=C1CO)C2=NC=CC(=C2)CO,"InChI=1S/C12H12N2O2/c15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14-12/h1-6,15-16H,7-8H2",RRXGRDMHWYLJSY-UHFFFAOYSA-N,C12H12N2O2,216.24,216.0898776,-0.3,66.2,191,0,2,4,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"(2,2'-BIPYRIDINE)-5,5'-DICARBOXYLIC ACID",001802-30-8,192744,6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylic acid,C1=CC(=NC=C1C(=O)O)C2=NC=C(C=C2)C(=O)O,"InChI=1S/C12H8N2O4/c15-11(16)7-1-3-9(13-5-7)10-4-2-8(6-14-10)12(17)18/h1-6H,(H,15,16)(H,17,18)",KVQMUHHSWICEIH-UHFFFAOYSA-N,C12H8N2O4,244.2,244.0484067,0.5,100,302,0,2,6,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6,6'-DIMETHYL-2,2'-BIPYRIDINE",004411-80-7,20445,2-methyl-6-(6-methyl-2-pyridinyl)pyridine,CC1=NC(=CC=C1)C2=CC=CC(=N2)C,"InChI=1S/C12H12N2/c1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12/h3-8H,1-2H3",OHJPGUSXUGHOGE-UHFFFAOYSA-N,C12H12N2,184.24,184.1000484,2.3,25.8,161,0,0,2,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2'-BIPYRIDINE-3,3'-DICARBOXYLIC ACID",004433-01-6,681885,2-(3-carboxy-2-pyridinyl)pyridine-3-carboxylic acid,C1=CC(=C(N=C1)C2=C(C=CC=N2)C(=O)O)C(=O)O,"InChI=1S/C12H8N2O4/c15-11(16)7-3-1-5-13-9(7)10-8(12(17)18)4-2-6-14-10/h1-6H,(H,15,16)(H,17,18)",KNVZVRWMLMPTTJ-UHFFFAOYSA-N,C12H8N2O4,244.2,244.0484067,0.5,100,302,0,2,6,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5,5'-DIBROMO-2,2'-BIPYRIDINE",015862-18-7,10903103,5-bromo-2-(5-bromo-2-pyridinyl)pyridine,C1=CC(=NC=C1Br)C2=NC=C(C=C2)Br,InChI=1S/C10H6Br2N2/c11-7-1-3-9(13-5-7)10-4-2-8(12)6-14-10/h1-6H,JNWPRPLNUUMYCM-UHFFFAOYSA-N,C10H6Br2N2,313.98,313.88772,2.9,25.8,169,0,0,2,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,2'-BIPYRIDINE-4,4'-DICARBOXALDEHYDE",099970-84-0,4171663,2-(4-formyl-2-pyridinyl)pyridine-4-carbaldehyde,C1=CN=C(C=C1C=O)C2=NC=CC(=C2)C=O,InChI=1S/C12H8N2O2/c15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14-12/h1-8H,UJCACAOPZBJKIW-UHFFFAOYSA-N,C12H8N2O2,212.2,212.0585775,0.4,59.9,231,0,0,4,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2'-BIPYRIDINE-6,6'-DICARBOXYLIC ACID",004479-74-7,9959961,6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylic acid,C1=CC(=NC(=C1)C(=O)O)C2=NC(=CC=C2)C(=O)O,"InChI=1S/C12H8N2O4/c15-11(16)9-5-1-3-7(13-9)8-4-2-6-10(14-8)12(17)18/h1-6H,(H,15,16)(H,17,18)",DASAXWLMIWDYLQ-UHFFFAOYSA-N,C12H8N2O4,244.2,244.0484067,1.2,100,302,0,2,6,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4,4'-DI-TERT-BUTYL-2,2'-BIPYRIDYL",072914-19-3,4249187,4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine,CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C,"InChI=1S/C18H24N2/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6/h7-12H,1-6H3",TXNLQUKVUJITMX-UHFFFAOYSA-N,C18H24N2,268.4,268.1939488,4.8,25.8,278,0,0,2,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6,6'-DIBROMO-2,2'-BIPYRIDYL",049669-22-9,4407547,2-bromo-6-(6-bromo-2-pyridinyl)pyridine,C1=CC(=NC(=C1)Br)C2=NC(=CC=C2)Br,InChI=1S/C10H6Br2N2/c11-9-5-1-3-7(13-9)8-4-2-6-10(12)14-8/h1-6H,WZVWSOXTTOJQQQ-UHFFFAOYSA-N,C10H6Br2N2,313.98,313.88772,3.5,25.8,169,0,0,2,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"[2,2'-BIPYRIDINE]-5,5'-DIAMINE",052382-48-6,10129248,6-(5-amino-2-pyridinyl)pyridin-3-amine,C1=CC(=NC=C1N)C2=NC=C(C=C2)N,"InChI=1S/C10H10N4/c11-7-1-3-9(13-5-7)10-4-2-8(12)6-14-10/h1-6H,11-12H2",QEIRCDAYPQFYBI-UHFFFAOYSA-N,C10H10N4,186.21,186.0905463,0.1,77.8,165,0,2,4,1,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,4(1H,3H)-PYRIMIDINEDIONE, 5-FLUORO-1-(TETRAHYDRO-2-FURANYL)-",017902-23-7,5386,"5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione",C1CC(OC1)N2C=C(C(=O)NC2=O)F,"InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)",WFWLQNSHRPWKFK-UHFFFAOYSA-N,C8H9FN2O3,200.17,200.0597203,-0.3,58.6,316,0,1,4,1,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE SODIUM,103226-10-4,56672395,"disodium;[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphate",C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)([O-])[O-])O.[Na+].[Na+],"InChI=1S/C9H12FN2O8P.2Na/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18;;/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18);;/q;2*+1/p-2/t5-,6+,7+;;/m0../s1",XLDWFMGNEABNKL-OJSHLMAWSA-L,C9H10FN2Na2O8P,370.14,369.995419,,151,522,0,2,9,3,23,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
URIDINE,000058-96-8,6029,"1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,"InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1",DRTQHJPVMGBUCF-XVFCMESISA-N,C9H12N2O6,244.2,244.0695361,-2,119,370,0,4,6,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-METHYLURIDINE,001463-10-1,445408,"1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione",CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,"InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,9-/m1/s1",DWRXFEITVBNRMK-JXOAFFINSA-N,C10H14N2O6,258.23,258.0851862,-1.6,119,409,0,4,6,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
URIDINE 5'-TRIPHOSPHATE TRISODIUM SALT HYDRATE,019817-92-6,88265,"trisodium;[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate",C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)O.[Na+].[Na+].[Na+],"InChI=1S/C9H15N2O15P3.3Na/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18;;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18);;;/q;3*+1/p-3/t4-,6-,7-,8-;;;/m1.../s1",MMJGIWFJVDOPJF-LLWADOMFSA-K,C9H12N2Na3O15P3,550.09,549.9143615,,267,820,0,4,15,8,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
5-BROMO-2'-DEOXYURIDINE,000059-14-3,6035,"5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)CO)O,"InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1",WOVKYSAHUYNSMH-RRKCRQDMSA-N,C9H11BrN2O5,307.1,305.98513,-0.3,99.1,386,0,3,5,2,17,,,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0
2'-DEOXY-5-ETHYNYLURIDINE,061135-33-9,472172,"5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",C#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,"InChI=1S/C11H12N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h1,4,7-9,14-15H,3,5H2,(H,12,16,17)/t7-,8+,9+/m0/s1",CDEURGJCGCHYFH-DJLDLDEBSA-N,C11H12N2O5,252.22,252.0746215,-1.3,99.1,463,0,3,5,3,18,,,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0
URACIL-B-D-ARABINOFURANOSIDE,003083-77-0,18323,"1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O,"InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7+,8-/m1/s1",DRTQHJPVMGBUCF-CCXZUQQUSA-N,C9H12N2O6,244.2,244.0695361,-2,119,370,0,4,6,2,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Thymidine, alpha,alpha,alpha-trifluoro-",70-00-8,6256,"1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione",C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(F)(F)F)CO)O,"InChI=1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)/t5-,6+,7+/m0/s1",VSQQQLOSPVPRAZ-RRKCRQDMSA-N,C10H11F3N2O5,296.2,296.0620059,-0.5,99.1,464,0,3,8,2,20,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Uridine, 5-fluoro-",316-46-1,9427,"1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione",C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)F,"InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1",FHIDNBAQOFJWCA-UAKXSSHOSA-N,C9H11FN2O6,262.19,262.0601142,-1.7,119,414,0,4,7,2,18,,,0,1,1,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Uridine, 5'-deoxy-5-fluoro-",9/5/94,18343,"1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione",C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)F)O)O,"InChI=1S/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6-,8-/m1/s1",ZWAOHEXOSAUJHY-ZIYNGMLESA-N,C9H11FN2O5,246.19,246.0651996,-1.7,99.1,399,0,3,6,1,17,,,0,0,1,0,0,1,1,1,1,0,1,0,0,1,0,0,1,1,0,1
"2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-beta-L-erythro-pentofuranosyl)-5-methyl-",3424-98-4,159269,"1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione",CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CO)O,"InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m1/s1",IQFYYKKMVGJFEH-CSMHCCOUSA-N,C10H14N2O5,242.23,242.0902716,-1.2,99.1,381,0,3,5,2,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
5-FLUORO-2'-DEOXYURIDINE,000050-91-9,5790,"5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)CO)O,"InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1",ODKNJVUHOIMIIZ-RRKCRQDMSA-N,C9H11FN2O5,246.19,246.0651996,-1.2,99.1,386,0,3,6,2,17,,,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
5-CHLORO-2'-DEOXYURIDINE,000050-90-8,65510,"5-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Cl)CO)O,"InChI=1S/C9H11ClN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1",NJCXGFKPQSFZIB-RRKCRQDMSA-N,C9H11ClN2O5,262.65,262.0356491,-0.7,99.1,386,0,3,5,2,17,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2'-DEOXY-5'-URIDYLIC ACID, DISODIUM SALT",042155-08-8,13957223,"disodium;[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphate",C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)([O-])[O-])O.[Na+].[Na+],"InChI=1S/C9H13N2O8P.2Na/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17;;/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17);;/q;2*+1/p-2/t5-,6+,8+;;/m0../s1",FXVXMLXAXVVONE-CDNBRZBRSA-L,C9H11N2Na2O8P,352.15,352.0048409,,151,477,0,2,8,3,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-BROMOURIDINE 5'-TRIPHOSPHATE SODIUM,161848-60-8,168012295,,C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)Br.[Na],"InChI=1S/C9H14BrN2O15P3.Na/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(25-8)2-24-29(20,21)27-30(22,23)26-28(17,18)19;/h1,4-6,8,13-14H,2H2,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19);/t4-,5-,6-,8-;/m1./s1",AQAYOSVTWCFXNA-HCXTZZCQSA-N,C9H14BrN2NaO15P3,586.03,584.86881,,259,889,0,7,15,8,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"URIDINE 5'-(TRIHYDROGEN DIPHOSPHATE), DISODIUM SALT",027821-45-0,11957711,"disodium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate",C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)[O-])O)O.[Na+].[Na+],"InChI=1S/C9H14N2O12P2.2Na/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18);;/q;2*+1/p-2/t4-,6-,7-,8-;;/m1../s1",ZQKVPFKBNNAXCE-WFIJOQBCSA-L,C9H12N2Na2O12P2,448.12,447.9660864,,218,665,0,4,12,6,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3'-AZIDO-3'-DEOXYTHYMIDINE,030516-87-1,35370,"1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione",CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-],"InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1",HBOMLICNUCNMMY-XLPZGREQSA-N,C10H13N5O4,267.24,267.0967539,0,93.2,484,0,2,6,3,19,,,0,0,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"4,4'-THIODIANILINE",000139-65-1,8765,4-(4-aminophenyl)sulfanylaniline,C1=CC(=CC=C1N)SC2=CC=C(C=C2)N,"InChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2",ICNFHJVPAJKPHW-UHFFFAOYSA-N,C12H12N2S,216.3,216.0721196,2.2,77.3,162,0,2,3,2,15,,,0,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
PHENYL SULFIDE,000139-66-2,8766,phenylsulfanylbenzene,C1=CC=C(C=C1)SC2=CC=CC=C2,InChI=1S/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H,LTYMSROWYAPPGB-UHFFFAOYSA-N,C12H10S,186.27,186.0503215,4.5,25.3,116,0,0,1,2,13,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
TEMEPHOS,003383-96-8,5392,[4-(4-dimethoxyphosphinothioyloxyphenyl)sulfanylphenoxy]-dimethoxy-sulfanylidene-lambda5-phosphane,COP(=S)(OC)OC1=CC=C(C=C1)SC2=CC=C(C=C2)OP(=S)(OC)OC,"InChI=1S/C16H20O6P2S3/c1-17-23(25,18-2)21-13-5-9-15(10-6-13)27-16-11-7-14(8-12-16)22-24(26,19-3)20-4/h5-12H,1-4H3",WWJZWCUNLNYYAU-UHFFFAOYSA-N,C16H20O6P2S3,466.5,465.9897259,6,145,474,0,0,9,10,27,ABATE 4-E 167 °F (Closed Cup); ABATE 6-E 109 °F (Closed Cup); ABATE 200-E 113 °F (Closed Cup); ABATE 500-E 142 °F (Closed Cup),"248 to 257 °F at 760 mmHg (Decomposes) (NIOSH, 2024)",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Sulfide, p-chlorophenyl 2,4,5-trichlorophenyl",002227-13-6,16685,"1,2,4-trichloro-5-(4-chlorophenyl)sulfanylbenzene",C1=CC(=CC=C1SC2=CC(=C(C=C2Cl)Cl)Cl)Cl,InChI=1S/C12H6Cl4S/c13-7-1-3-8(4-2-7)17-12-6-10(15)9(14)5-11(12)16/h1-6H,QUWSDLYBOVGOCW-UHFFFAOYSA-N,C12H6Cl4S,324,323.891482,6.5,25.3,243,0,0,1,2,17,,,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,4'-THIOBISBENZENETHIOL",019362-77-7,619483,4-(4-sulfanylphenyl)sulfanylbenzenethiol,C1=CC(=CC=C1S)SC2=CC=C(C=C2)S,"InChI=1S/C12H10S3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H",JLLMOYPIVVKFHY-UHFFFAOYSA-N,C12H10S3,250.4,249.9944638,4.4,27.3,159,0,2,3,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"o-Cresol, 4,4'-thiobis(6-t-butyl-",96-66-2,7306,2-tert-butyl-4-(3-tert-butyl-4-hydroxy-5-methylphenyl)sulfanyl-6-methylphenol,CC1=CC(=CC(=C1O)C(C)(C)C)SC2=CC(=C(C(=C2)C)O)C(C)(C)C,"InChI=1S/C22H30O2S/c1-13-9-15(11-17(19(13)23)21(3,4)5)25-16-10-14(2)20(24)18(12-16)22(6,7)8/h9-12,23-24H,1-8H3",YFHKLSPMRRWLKI-UHFFFAOYSA-N,C22H30O2S,358.5,358.1966514,7.4,65.8,396,0,2,3,4,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 2,2'-thiobis(4,6-dichloro-",97-18-7,2406,"2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol",C1=C(C=C(C(=C1SC2=C(C(=CC(=C2)Cl)Cl)O)O)Cl)Cl,"InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H",JFIOVJDNOJYLKP-UHFFFAOYSA-N,C12H6Cl4O2S,356,355.881311,5.8,65.8,281,0,2,3,2,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 2,2'-thiobis(4-chloro-",97-24-5,7329,4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol,C1=CC(=C(C=C1Cl)SC2=C(C=CC(=C2)Cl)O)O,"InChI=1S/C12H8Cl2O2S/c13-7-1-3-9(15)11(5-7)17-12-6-8(14)2-4-10(12)16/h1-6,15-16H",ANUSOIHIIPAHJV-UHFFFAOYSA-N,C12H8Cl2O2S,287.2,285.9622061,4.5,65.8,231,0,2,3,2,17,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"Sulfide, p-nitrophenyl phenyl",952-97-6,13720,1-nitro-4-phenylsulfanylbenzene,C1=CC=C(C=C1)SC2=CC=C(C=C2)[N+](=O)[O-],InChI=1S/C12H9NO2S/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,RJCBYBQJVXVVKB-UHFFFAOYSA-N,C12H9NO2S,231.27,231.0353997,4.4,71.1,228,0,0,3,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenamine, 4-(phenylthio)-",1135-14-4,96081,4-phenylsulfanylaniline,C1=CC=C(C=C1)SC2=CC=C(C=C2)N,"InChI=1S/C12H11NS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H,13H2",TZQVSGOOKNNDFU-UHFFFAOYSA-N,C12H11NS,201.29,201.0612205,2.9,51.3,158,0,1,2,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzaldehyde, p-phenylthio-",1208-88-4,71023,4-phenylsulfanylbenzaldehyde,C1=CC=C(C=C1)SC2=CC=C(C=C2)C=O,InChI=1S/C13H10OS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-10H,VDNBWBPUFMZCEW-UHFFFAOYSA-N,C13H10OS,214.28,214.0452361,3.5,42.4,191,0,0,2,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Sulfide, bis(2,4-dinitrophenyl)",2253-67-0,95960,"1-(2,4-dinitrophenyl)sulfanyl-2,4-dinitrobenzene",C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C12H6N4O8S/c17-13(18)7-1-3-11(9(5-7)15(21)22)25-12-4-2-8(14(19)20)6-10(12)16(23)24/h1-6H,DMIUPZAMXYQKBR-UHFFFAOYSA-N,C12H6N4O8S,366.27,365.9906343,3.3,209,505,0,0,9,2,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Phenol, 2,2'-thiobis(4,6-dichloro-, disodium salt",6385-58-6,22882,"disodium;2,4-dichloro-6-(3,5-dichloro-2-oxidophenyl)sulfanylphenolate",C1=C(C=C(C(=C1SC2=C(C(=CC(=C2)Cl)Cl)[O-])[O-])Cl)Cl.[Na+].[Na+],"InChI=1S/C12H6Cl4O2S.2Na/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18;;/h1-4,17-18H;;/q;2*+1/p-2",FNYZFZRGBBCWBI-UHFFFAOYSA-L,C12H4Cl4Na2O2S,400,399.8452,,71.4,281,0,0,3,2,21,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,4'-THIODIPHENOL",002664-63-3,17570,4-(4-hydroxyphenyl)sulfanylphenol,C1=CC(=CC=C1O)SC2=CC=C(C=C2)O,"InChI=1S/C12H10O2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H",VWGKEVWFBOUAND-UHFFFAOYSA-N,C12H10O2S,218.27,218.0401507,3.3,65.8,162,0,2,3,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4,4'-THIOBIS(6-TERT-BUTYL-M-CRESOL)",000096-69-5,7308,2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol,CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O,"InChI=1S/C22H30O2S/c1-13-9-17(23)15(21(3,4)5)11-19(13)25-20-12-16(22(6,7)8)18(24)10-14(20)2/h9-12,23-24H,1-8H3",HXIQYSLFEXIOAV-UHFFFAOYSA-N,C22H30O2S,358.5,358.1966514,7.4,65.8,396,0,2,3,4,25,"420 °F (NTP, 1992)",,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"Sulfide, bis(p-nitrophenyl)",1223-31-0,14655,1-nitro-4-(4-nitrophenyl)sulfanylbenzene,C1=CC(=CC=C1[N+](=O)[O-])SC2=CC=C(C=C2)[N+](=O)[O-],InChI=1S/C12H8N2O4S/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,ZZTJMQPRKBNGNX-UHFFFAOYSA-N,C12H8N2O4S,276.27,276.0204779,3.5,117,294,0,0,5,2,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Sulfide, bis(p-bromophenyl)",3393-78-0,76929,1-bromo-4-(4-bromophenyl)sulfanylbenzene,C1=CC(=CC=C1SC2=CC=C(C=C2)Br)Br,InChI=1S/C12H8Br2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,CLPVCAXOQZIJGW-UHFFFAOYSA-N,C12H8Br2S,344.07,343.8693,5.4,25.3,162,0,0,1,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Carbamic acid, ((2-((methoxyacetyl)amino)-4-(phenylthio)phenyl)carbonimidoyl)bis-,dimethyl ester",58306-30-2,135449328,methyl N-[N'-[2-[(2-methoxyacetyl)amino]-4-phenylsulfanylphenyl]-N-methoxycarbonylcarbamimidoyl]carbamate,COCC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)N=C(NC(=O)OC)NC(=O)OC,"InChI=1S/C20H22N4O6S/c1-28-12-17(25)21-16-11-14(31-13-7-5-4-6-8-13)9-10-15(16)22-18(23-19(26)29-2)24-20(27)30-3/h4-11H,12H2,1-3H3,(H,21,25)(H2,22,23,24,26,27)",HMCCXLBXIJMERM-UHFFFAOYSA-N,C20H22N4O6S,446.5,446.1260056,3.8,153,621,0,3,8,10,31,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
PHENYL-(1-PHENYLETHYLIDENE)AMINE,001749-19-5,555698,"N,1-diphenylethanimine",CC(=NC1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C14H13N/c1-12(13-8-4-2-5-9-13)15-14-10-6-3-7-11-14/h2-11H,1H3",CBXWICRJSHEQJT-UHFFFAOYSA-N,C14H13N,195.26,195.1047994,3.4,12.4,207,0,0,1,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZONITRILE, 4-[[(4-ETHOXYPHENYL)METHYLENE]AMINO]-, (E)-",024742-30-1,90598,4-[(4-ethoxyphenyl)methylideneamino]benzonitrile,CCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N,"InChI=1S/C16H14N2O/c1-2-19-16-9-5-14(6-10-16)12-18-15-7-3-13(11-17)4-8-15/h3-10,12H,2H2,1H3",YFZISFITJTVAET-UHFFFAOYSA-N,C16H14N2O,250.29,250.1106131,3.3,45.4,328,0,0,3,4,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZONITRILE, 4-[[[4-(HEXYLOXY)PHENYL]METHYLENE]AMINO]-",035280-78-5,118801,4-[(4-hexoxyphenyl)methylideneamino]benzonitrile,CCCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N,"InChI=1S/C20H22N2O/c1-2-3-4-5-14-23-20-12-8-18(9-13-20)16-22-19-10-6-17(15-21)7-11-19/h6-13,16H,2-5,14H2,1H3",YABQOLANVLHEPV-UHFFFAOYSA-N,C20H22N2O,306.4,306.1732133,5.2,45.4,382,0,0,3,8,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
N-BENZYLIDENEANILINE,000538-51-2,10858,"N,1-diphenylmethanimine",C1=CC=C(C=C1)C=NC2=CC=CC=C2,InChI=1S/C13H11N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-11H,UVEWQKMPXAHFST-UHFFFAOYSA-N,C13H11N,181.23,181.0891494,2.8,12.4,174,0,0,1,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 4-[[(4-METHOXYPHENYL)METHYLENE]AMINO]-",003230-39-5,97286,4-[(4-methoxyphenyl)methylideneamino]phenol,COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)O,"InChI=1S/C14H13NO2/c1-17-14-8-2-11(3-9-14)10-15-12-4-6-13(16)7-5-12/h2-10,16H,1H3",YONXPYGTYHMKDH-UHFFFAOYSA-N,C14H13NO2,227.26,227.0946287,2.8,41.8,239,0,1,3,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 4-[[(4-METHOXYPHENYL)METHYLENE]AMINO]-, ACETATE (ESTER), (E)-",010484-13-6,97495,[4-[(4-methoxyphenyl)methylideneamino]phenyl] acetate,CC(=O)OC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OC,"InChI=1S/C16H15NO3/c1-12(18)20-16-9-5-14(6-10-16)17-11-13-3-7-15(19-2)8-4-13/h3-11H,1-2H3",HOYWVKUPOCFKOT-UHFFFAOYSA-N,C16H15NO3,269.29,269.1051933,2.8,47.9,327,0,0,4,5,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Phenol, p-(benzylideneamino)-",588-53-4,11501,4-(benzylideneamino)phenol,C1=CC=C(C=C1)C=NC2=CC=C(C=C2)O,"InChI=1S/C13H11NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-10,15H",BVTLIIQDQAUXOI-UHFFFAOYSA-N,C13H11NO,197.23,197.084064,2.5,32.6,201,0,1,2,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, p-((o-hydroxybenzylidene)amino)-",788-24-9,97114,4-[(2-hydroxyphenyl)methylideneamino]benzoic acid,C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)C(=O)O)O,"InChI=1S/C14H11NO3/c16-13-4-2-1-3-11(13)9-15-12-7-5-10(6-8-12)14(17)18/h1-9,16H,(H,17,18)",CZNXQJHAMQNIHB-UHFFFAOYSA-N,C14H11NO3,241.24,241.0738932,2.6,69.9,308,0,2,4,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"o-Cresol, alpha-(p-bromophenylimino)-",886-34-0,13448,2-[(4-bromophenyl)iminomethyl]phenol,C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)Br)O,"InChI=1S/C13H10BrNO/c14-11-5-7-12(8-6-11)15-9-10-3-1-2-4-13(10)16/h1-9,16H",VWAMOQWOPYDCQR-UHFFFAOYSA-N,C13H10BrNO,276.13,274.99458,3.8,32.6,236,0,1,2,2,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Aniline, N-benzylidene-m-nitro-",5341-44-6,21433,N-(3-nitrophenyl)-1-phenylmethanimine,C1=CC=C(C=C1)C=NC2=CC(=CC=C2)[N+](=O)[O-],InChI=1S/C13H10N2O2/c16-15(17)13-8-4-7-12(9-13)14-10-11-5-2-1-3-6-11/h1-10H,HFGFPUPROHHWFT-UHFFFAOYSA-N,C13H10N2O2,226.23,226.0742276,2.6,58.2,280,0,0,3,2,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2-(((2-hydroxyphenyl)methylene)amino)-",7361-93-5,95274,2-[(2-hydroxyphenyl)methylideneamino]benzoic acid,C1=CC=C(C(=C1)C=NC2=CC=CC=C2C(=O)O)O,"InChI=1S/C14H11NO3/c16-13-8-4-1-5-10(13)9-15-12-7-3-2-6-11(12)14(17)18/h1-9,16H,(H,17,18)",AMNAGEKFWSNOTE-UHFFFAOYSA-N,C14H11NO3,241.24,241.0738932,2.6,69.9,316,0,2,4,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, p-((p-hydroxybenzylidene)amino)-, ethyl ester",32327-57-4,36105,ethyl 4-[(4-hydroxyphenyl)methylideneamino]benzoate,CCOC(=O)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)O,"InChI=1S/C16H15NO3/c1-2-20-16(19)13-5-7-14(8-6-13)17-11-12-3-9-15(18)10-4-12/h3-11,18H,2H2,1H3",IGSNRCBZTGTHDY-UHFFFAOYSA-N,C16H15NO3,269.29,269.1051933,3.8,58.9,327,0,1,4,5,20,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 2-(((4-methoxyphenyl)methylene)amino)-",60027-80-7,101290,2-[(4-methoxyphenyl)methylideneamino]benzoic acid,COC1=CC=C(C=C1)C=NC2=CC=CC=C2C(=O)O,"InChI=1S/C15H13NO3/c1-19-12-8-6-11(7-9-12)10-16-14-5-3-2-4-13(14)15(17)18/h2-10H,1H3,(H,17,18)",SZIDPRXJWMIIJF-UHFFFAOYSA-N,C15H13NO3,255.27,255.0895433,2.7,58.9,321,0,1,4,4,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2-(((4-(acetylamino)phenyl)methylene)amino)-",71937-03-6,3055052,2-[(4-acetamidophenyl)methylideneamino]benzoic acid,CC(=O)NC1=CC=C(C=C1)C=NC2=CC=CC=C2C(=O)O,"InChI=1S/C16H14N2O3/c1-11(19)18-13-8-6-12(7-9-13)10-17-15-5-3-2-4-14(15)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)",XYBYGKBBTCVGLY-UHFFFAOYSA-N,C16H14N2O3,282.29,282.1004423,1.9,78.8,400,0,2,4,4,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 4-(((5-chloro-2-hydroxyphenyl)methylene)amino)-",71937-06-9,961431,4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid,C1=CC(=CC=C1C(=O)O)N=CC2=C(C=CC(=C2)Cl)O,"InChI=1S/C14H10ClNO3/c15-11-3-6-13(17)10(7-11)8-16-12-4-1-9(2-5-12)14(18)19/h1-8,17H,(H,18,19)",BYQLBBHRPPYIFB-UHFFFAOYSA-N,C14H10ClNO3,275.68,275.0349209,3,69.9,340,0,2,4,3,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-(4-FLUOROPHENYL)PIPERAZINE,002252-63-3,75260,1-(4-fluorophenyl)piperazine,C1CN(CCN1)C2=CC=C(C=C2)F,"InChI=1S/C10H13FN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2",AVJKDKWRVSSJPK-UHFFFAOYSA-N,C10H13FN2,180.22,180.1062766,1.3,15.3,149,0,1,3,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-PHENYLPIPERAZINE,000092-54-6,7096,1-phenylpiperazine,C1CN(CCN1)C2=CC=CC=C2,"InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2",YZTJYBJCZXZGCT-UHFFFAOYSA-N,C10H14N2,162.23,162.1156985,1.1,15.3,124,0,1,2,1,12,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
1-(3-CHLOROPHENYL)PIPERAZINE,006640-24-0,1355,1-(3-chlorophenyl)piperazine,C1CN(CCN1)C2=CC(=CC=C2)Cl,"InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2",VHFVKMTVMIZMIK-UHFFFAOYSA-N,C10H13ClN2,196.67,196.0767261,1.7,15.3,157,0,1,2,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
1-(2-METHOXYPHENYL)PIPERAZINE,035386-24-4,1346,1-(2-methoxyphenyl)piperazine,COC1=CC=CC=C1N2CCNCC2,"InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3",VNZLQLYBRIOLFZ-UHFFFAOYSA-N,C11H16N2O,192.26,192.1262631,1.4,24.5,169,0,1,3,2,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1-(3,4-DICHLOROPHENYL)PIPERAZINE",057260-67-0,93601,"1-(3,4-dichlorophenyl)piperazine",C1CN(CCN1)C2=CC(=C(C=C2)Cl)Cl,"InChI=1S/C10H12Cl2N2/c11-9-2-1-8(7-10(9)12)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2",PXFJLKKZSWWVRX-UHFFFAOYSA-N,C10H12Cl2N2,231.12,230.0377538,2.9,15.3,183,0,1,2,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-(4-CHLOROPHENYL)PIPERAZINE,038212-33-8,97478,1-(4-chlorophenyl)piperazine,C1CN(CCN1)C2=CC=C(C=C2)Cl,"InChI=1S/C10H13ClN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2",UNEIHNMKASENIG-UHFFFAOYSA-N,C10H13ClN2,196.67,196.0767261,1.8,15.3,149,0,1,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)PIPERAZINE,041213-04-1,2778137,1-[4-chloro-3-(trifluoromethyl)phenyl]piperazine,C1CN(CCN1)C2=CC(=C(C=C2)Cl)C(F)(F)F,"InChI=1S/C11H12ClF3N2/c12-10-2-1-8(7-9(10)11(13,14)15)17-5-3-16-4-6-17/h1-2,7,16H,3-6H2",SOVLQDJRXJFKHO-UHFFFAOYSA-N,C11H12ClF3N2,264.67,264.0641106,2.9,15.3,254,0,1,5,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-(4-(TRIFLUOROMETHYL)PHENYL)PIPERAZINE,030459-17-7,121718,1-[4-(trifluoromethyl)phenyl]piperazine,C1CN(CCN1)C2=CC=C(C=C2)C(F)(F)F,"InChI=1S/C11H13F3N2/c12-11(13,14)9-1-3-10(4-2-9)16-7-5-15-6-8-16/h1-4,15H,5-8H2",IBQMAPSJLHRQPE-UHFFFAOYSA-N,C11H13F3N2,230.23,230.1030829,2,15.3,216,0,1,5,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperazine, 1-phenyl-, hydrochloride",2210-93-7,75164,1-phenylpiperazine;hydrochloride,C1CN(CCN1)C2=CC=CC=C2.Cl,"InChI=1S/C10H14N2.ClH/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;/h1-5,11H,6-9H2;1H",NQNZNONJZASOKL-UHFFFAOYSA-N,C10H15ClN2,198.69,198.0923762,,15.3,124,0,2,2,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperazine, 1-(3-(trifluoromethyl)phenyl)-, hydrochloride",16015-69-3,3084246,1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride,C1CN(CCN1)C2=CC=CC(=C2)C(F)(F)F.Cl,"InChI=1S/C11H13F3N2.ClH/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16;/h1-3,8,15H,4-7H2;1H",DGNLGWJZZZOYPT-UHFFFAOYSA-N,C11H14ClF3N2,266.69,266.0797606,,15.3,224,0,2,5,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Piperazineethanol, 4-phenyl-",36245-26-8,96699,2-(4-phenylpiperazin-1-yl)ethanol,C1CN(CCN1CCO)C2=CC=CC=C2,"InChI=1S/C12H18N2O/c15-11-10-13-6-8-14(9-7-13)12-4-2-1-3-5-12/h1-5,15H,6-11H2",GTMIXYICYSFTRJ-UHFFFAOYSA-N,C12H18N2O,206.28,206.1419132,1.2,26.7,172,0,1,3,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-Propanediol, 3-(4-phenyl-1-piperazinyl)-, (R)-",99291-24-4,688451,"(2R)-3-(4-phenylpiperazin-1-yl)propane-1,2-diol",C1CN(CCN1C[C@H](CO)O)C2=CC=CC=C2,"InChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2/t13-/m1/s1",PTVWPYVOOKLBCG-CYBMUJFWSA-N,C13H20N2O2,236.31,236.1524779,0.6,46.9,211,0,2,4,4,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-(4-IODOPHENYL)PIPERAZINE,096530-59-5,4147845,1-(4-iodophenyl)piperazine,C1CN(CCN1)C2=CC=C(C=C2)I,"InChI=1S/C10H13IN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2",CFZRRGPCDUOJHX-UHFFFAOYSA-N,C10H13IN2,288.13,288.01235,1.8,15.3,149,0,1,2,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-PIPERAZIN-1-YL-BENZALDEHYDE,027913-98-0,13666934,4-piperazin-1-ylbenzaldehyde,C1CN(CCN1)C2=CC=C(C=C2)C=O,"InChI=1S/C11H14N2O/c14-9-10-1-3-11(4-2-10)13-7-5-12-6-8-13/h1-4,9,12H,5-8H2",BTTAIIUFVILNAC-UHFFFAOYSA-N,C11H14N2O,190.24,190.1106131,0.6,32.3,182,0,1,3,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-Propanediol, 3-(4-phenyl-1-piperazinyl)-",17692-31-8,3169,"3-(4-phenylpiperazin-1-yl)propane-1,2-diol",C1CN(CCN1CC(CO)O)C2=CC=CC=C2,"InChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2",PTVWPYVOOKLBCG-UHFFFAOYSA-N,C13H20N2O2,236.31,236.1524779,0.6,46.9,211,0,2,4,4,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,4-Thiadiazole, 2-amino-",004005-51-0,19909,"1,3,4-thiadiazol-2-amine",C1=NN=C(S1)N,"InChI=1S/C2H3N3S/c3-2-5-4-1-6-2/h1H,(H2,3,5)",QUKGLNCXGVWCJX-UHFFFAOYSA-N,C2H3N3S,101.13,101.0047683,-0.6,80,48,0,1,4,0,6,,,0,0,0,1,0,0,0,1,0,0,1,0,0,1,0,0,1,0,0,1
"1,3,4-THIADIAZOL-2-AMINE, 5-(ETHYLTHIO)-",025660-70-2,101459,"5-ethylsulfanyl-1,3,4-thiadiazol-2-amine",CCSC1=NN=C(S1)N,"InChI=1S/C4H7N3S2/c1-2-8-4-7-6-3(5)9-4/h2H2,1H3,(H2,5,6)",VWRHSNKTSSIMGE-UHFFFAOYSA-N,C4H7N3S2,161.3,161.0081396,1.2,105,89,0,1,5,2,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,4-THIADIAZOL-2-AMINE, 5-(1,1-DIMETHYLETHYL)-",039222-73-6,170170,"5-tert-butyl-1,3,4-thiadiazol-2-amine",CC(C)(C)C1=NN=C(S1)N,"InChI=1S/C6H11N3S/c1-6(2,3)4-8-9-5(7)10-4/h1-3H3,(H2,7,9)",ICXDPEFCLDSXLI-UHFFFAOYSA-N,C6H11N3S,157.24,157.0673685,1.7,80,121,0,1,4,1,10,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TEBUTHIURON,034014-18-1,5383,"1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea",CC(C)(C)C1=NN=C(S1)N(C)C(=O)NC,"InChI=1S/C9H16N4OS/c1-9(2,3)6-11-12-8(15-6)13(5)7(14)10-4/h1-5H3,(H,10,14)",HBPDKDSFLXWOAE-UHFFFAOYSA-N,C9H16N4OS,228.32,228.1044823,1.6,86.4,241,0,1,4,2,15,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,4-THIADIAZOL-2-AMINE, 5-ETHYL-",014068-53-2,26444,"5-ethyl-1,3,4-thiadiazol-2-amine",CCC1=NN=C(S1)N,"InChI=1S/C4H7N3S/c1-2-3-6-7-4(5)8-3/h2H2,1H3,(H2,5,7)",QXTRPGAMVIONMK-UHFFFAOYSA-N,C4H7N3S,129.19,129.0360684,0.9,80,77,0,1,4,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,4-THIADIAZOLE, 2,5-DIMETHYL-",027464-82-0,96922,"2,5-dimethyl-1,3,4-thiadiazole",CC1=NN=C(S1)C,InChI=1S/C4H6N2S/c1-3-5-6-4(2)7-3/h1-2H3,JXQGICFGPUAVLJ-UHFFFAOYSA-N,C4H6N2S,114.17,114.0251694,0,54,58,0,0,3,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-BIS(OCTYLDITHIO)-1,3,4-THIADIAZOLE",13539-13-4,83568,"2,5-bis(octyldisulfanyl)-1,3,4-thiadiazole",CCCCCCCCSSC1=NN=C(S1)SSCCCCCCCC,"InChI=1S/C18H34N2S5/c1-3-5-7-9-11-13-15-21-24-17-19-20-18(23-17)25-22-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",ZFOMEJJNWNWWIB-UHFFFAOYSA-N,C18H34N2S5,438.8,438.132555,9,155,258,0,0,7,18,25,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
ACETAZOLAMIDE,000059-66-5,1986,"N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide",CC(=O)NC1=NN=C(S1)S(=O)(=O)N,"InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)",BZKPWHYZMXOIDC-UHFFFAOYSA-N,C4H6N4O3S2,222.3,221.9881324,-0.3,152,297,0,2,7,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
"1,3,4-THIADIAZOLE, 2,5-BIS(TERT-NONYLDITHIO)-",089347-09-1,22833380,"2,5-bis(2,2-dimethylheptyldisulfanyl)-1,3,4-thiadiazole",CCCCCC(C)(C)CSSC1=NN=C(S1)SSCC(C)(C)CCCCC,"InChI=1S/C20H38N2S5/c1-7-9-11-13-19(3,4)15-23-26-17-21-22-18(25-17)27-24-16-20(5,6)14-12-10-8-2/h7-16H2,1-6H3",RHKLIWUUEYGKQK-UHFFFAOYSA-N,C20H38N2S5,466.9,466.1638551,9.5,155,345,0,0,7,16,27,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,4-Thiadiazole, 2,5-diamino-",2937-81-7,122760,"1,3,4-thiadiazole-2,5-diamine",C1(=NN=C(S1)N)N,"InChI=1S/C2H4N4S/c3-1-5-6-2(4)7-1/h(H2,3,5)(H2,4,6)",DXVLLEIKCNQUQH-UHFFFAOYSA-N,C2H4N4S,116.15,116.0156673,-0.3,106,58,0,2,5,0,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,4-Thiadiazole, 2-acetamido-",5393-55-5,94839,"N-(1,3,4-thiadiazol-2-yl)acetamide",CC(=O)NC1=NN=CS1,"InChI=1S/C4H5N3OS/c1-3(8)6-4-7-5-2-9-4/h2H,1H3,(H,6,7,8)",YOGFGFKRNRQDMF-UHFFFAOYSA-N,C4H5N3OS,143.17,143.015333,-0.1,83.1,118,0,1,4,1,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, N-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)-N'-methyl-",24814-29-7,179436,"1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methylurea",CC(C)(C)C1=NN=C(S1)NC(=O)NC,"InChI=1S/C8H14N4OS/c1-8(2,3)5-11-12-7(14-5)10-6(13)9-4/h1-4H3,(H2,9,10,12,13)",QNZVDHFCJIENKD-UHFFFAOYSA-N,C8H14N4OS,214.29,214.0888323,1.4,95.2,216,0,2,4,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,4-Thiadiazole, 2-amino-5-methyl-, hydrochloride",57772-19-7,3044825,"5-methyl-1,3,4-thiadiazol-2-amine;hydrochloride",CC1=NN=C(S1)N.Cl,"InChI=1S/C3H5N3S.ClH/c1-2-5-6-3(4)7-2;/h1H3,(H2,4,6);1H",PZDQYTCLIDBNEZ-UHFFFAOYSA-N,C3H6ClN3S,151.62,150.9970961,,80,67,0,2,4,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,4-THIADIAZOLIDINE-2,5-DITHIONE, DIPOTASSIUM SALT",004628-94-8,78364,"dipotassium;1,3,4-thiadiazole-2,5-dithiolate",C1(=NN=C(S1)[S-])[S-].[K+].[K+],"InChI=1S/C2H2N2S3.2K/c5-1-3-4-2(6)7-1;;/h(H,3,5)(H,4,6);;/q;2*+1/p-2",GPWLFGDMYSVEGN-UHFFFAOYSA-L,C2K2N2S3,226.4,225.8497745,,56,60,0,0,5,0,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,4-THIADIAZOL-2-AMINE, 5-(TRIFLUOROMETHYL)-",010444-89-0,82634,"5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine",C1(=NN=C(S1)N)C(F)(F)F,"InChI=1S/C3H2F3N3S/c4-3(5,6)1-8-9-2(7)10-1/h(H2,7,9)",LTEUXHSAYOSFGQ-UHFFFAOYSA-N,C3H2F3N3S,169.13,168.9921527,0.9,80,127,0,1,7,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,4-Thiadiazole, 2-amino-5-methyl-",108-33-8,66949,"5-methyl-1,3,4-thiadiazol-2-amine",CC1=NN=C(S1)N,"InChI=1S/C3H5N3S/c1-2-5-6-3(4)7-2/h1H3,(H2,4,6)",HMPUHXCGUHDVBI-UHFFFAOYSA-N,C3H5N3S,115.16,115.0204184,0.4,80,67,0,1,4,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,4-Thiadiazole, 2-amino-5-pentyl-",52057-90-6,1622360,"5-pentyl-1,3,4-thiadiazol-2-amine",CCCCCC1=NN=C(S1)N,"InChI=1S/C7H13N3S/c1-2-3-4-5-6-9-10-7(8)11-6/h2-5H2,1H3,(H2,8,10)",ZTUVGDVRIPDQSI-UHFFFAOYSA-N,C7H13N3S,171.27,171.0830186,2.3,80,110,0,1,4,4,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHINYL ESTRADIOL,000057-63-6,5991,"(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O,"InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1",BFPYWIDHMRZLRN-SLHNCBLASA-N,C20H24O2,296.4,296.17763,3.7,40.5,505,0,2,2,1,22,,,0,0,0,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
MESTRANOL,000072-33-3,6291,"(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC,"InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1",IMSSROKUHAOUJS-MJCUULBUSA-N,C21H26O2,310.4,310.1932801,4,29.5,519,0,1,2,2,23,,,0,1,1,1,0,1,0,1,0,0,0,0,0,1,0,0,1,0,0,0
ICI 182780,129453-61-8,104741,"(7R,8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F,"InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1",VWUXBMIQPBEWFH-WCCTWKNTSA-N,C32H47F5O3S,606.8,606.3166073,9.2,76.7,854,0,2,9,14,41,,,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,1,0
B-ESTRADIOL 3-METHYL ETHER,001035-77-4,246206,"(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC,"InChI=1S/C19H26O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-18,20H,3,5,7-10H2,1-2H3/t15-,16-,17+,18+,19+/m1/s1",ULAADVBNYHGIBP-GFEQUFNTSA-N,C19H26O2,286.4,286.1932801,3,29.5,395,0,1,2,1,21,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Estriol, triacetate",002284-32-4,15125811,"[(8R,9S,13S,14S,16R,17R)-3,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] acetate",CC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=C([C@H]3CC[C@@]2([C@H]1OC(=O)C)C)C=CC(=C4)OC(=O)C,"InChI=1S/C24H30O6/c1-13(25)28-17-6-8-18-16(11-17)5-7-20-19(18)9-10-24(4)21(20)12-22(29-14(2)26)23(24)30-15(3)27/h6,8,11,19-23H,5,7,9-10,12H2,1-4H3/t19-,20-,21+,22-,23+,24+/m1/s1",DKZPDNPWKHTWCC-YYTJJFCCSA-N,C24H30O6,414.5,414.2042387,3.7,78.9,704,0,0,6,6,30,,,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Estra-1,3,5(10)-triene-3,4,17-beta-triol",005976-61-4,5282360,"(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4,17-triol",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4O)O,"InChI=1S/C18H24O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,19-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1",QOZFCKXEVSGWGS-ZHIYBZGJSA-N,C18H24O3,288.4,288.1725446,3.7,60.7,411,0,3,3,0,21,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
17-alpha-Estradiol,57-91-0,68570,"(8R,9S,13S,14S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=C3C=CC(=C4)O,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1",VOXZDWNPVJITMN-SFFUCWETSA-N,C18H24O2,272.4,272.17763,4,40.5,382,0,2,2,0,20,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Estra-1,3,5(10)-triene-3,17-beta-diol, 2-methoxy-",362-07-2,66414,"(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)OC)O,"InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1",CQOQDQWUFQDJMK-SSTWWWIQSA-N,C19H26O3,302.4,302.1881947,4,49.7,425,0,2,3,1,22,,,1,1,1,1,0,1,1,1,0,0,0,0,0,1,0,0,1,0,1,1
"Estra-1,3,5(10)-triene-3,17-diol, (17-beta)-, 3-acetate",4245-41-4,9818306,"[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate",CC(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4O)C,"InChI=1S/C20H26O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1",FHXBMXJMKMWVRG-SLHNCBLASA-N,C20H26O3,314.4,314.1881947,2.8,46.5,476,0,1,3,2,23,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Estra-1,3,5(10)-triene-2,4-D2-3,17-diol, (17-beta)-",53866-33-4,16219317,"(8R,9S,13S,14S,17S)-2,4-dideuterio-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol",[2H]C1=CC2=C(CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)C(=C1O)[2H],"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1/i3D,10D",VOXZDWNPVJITMN-JXCLBMSPSA-N,C18H24O2,274.4,274.1901835,4,40.5,382,0,2,2,0,20,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Estra-1,3,5(10)-triene-3,17-diol (17-beta)-, 3-(bis(2-chloroethyl)carbamate) 1",052205-73-9,444000,"disodium;[(8R,9S,13S,14S,17S)-3-[bis(2-chloroethyl)carbamoyloxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] phosphate",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OP(=O)([O-])[O-])CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl.[Na+].[Na+],"InChI=1S/C23H32Cl2NO6P.2Na/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30;;/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30);;/q;2*+1/p-2/t18-,19-,20+,21+,23+;;/m1../s1",IIUMCNJTGSMNRO-VVSKJQCTSA-L,C23H30Cl2NNa2O6P,564.3,563.0983186,,102,735,0,0,6,7,35,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Estra-1,3,5(10)-triene-2,3,17-beta-triol",000362-05-0,247304,"(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,3,17-triol",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)O)O,"InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1",DILDHNKDVHLEQB-XSSYPUMDSA-N,C18H24O3,288.4,288.1725446,3.7,60.7,411,0,3,3,0,21,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Estradiol, 3-(bis(2-chloroethyl)carbamate)",2998-57-4,259331,"[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-bis(2-chloroethyl)carbamate",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl,"InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1",FRPJXPJMRWBBIH-RBRWEJTLSA-N,C23H31Cl2NO3,440.4,439.1680992,4,49.8,584,0,1,3,6,29,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Estradiol, 3-(bis(2-chloroethyl)carbamate) dihydrogen phosphate",4891-15-0,259329,"[(8R,9S,13S,14S,17S)-13-methyl-17-phosphonooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-bis(2-chloroethyl)carbamate",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OP(=O)(O)O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl,"InChI=1S/C23H32Cl2NO6P/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30)/t18-,19-,20+,21+,23+/m1/s1",ADFOJJHRTBFFOF-RBRWEJTLSA-N,C23H32Cl2NO6P,520.4,519.1344301,2.9,96.3,746,0,2,6,8,33,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"4(1H)-PYRIMIDINONE, 6-AMINO-2-METHYL-",000767-16-8,135431330,4-amino-2-methyl-1H-pyrimidin-6-one,CC1=NC(=CC(=O)N1)N,"InChI=1S/C5H7N3O/c1-3-7-4(6)2-5(9)8-3/h2H,1H3,(H3,6,7,8,9)",MVHONLHZERWNRF-UHFFFAOYSA-N,C5H7N3O,125.13,125.0589119,-1.2,67.5,204,0,2,3,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4(1H)-PYRIMIDINONE, 6-METHYL-",003524-87-6,135431249,4-methyl-1H-pyrimidin-6-one,CC1=CC(=O)NC=N1,"InChI=1S/C5H6N2O/c1-4-2-5(8)7-3-6-4/h2-3H,1H3,(H,6,7,8)",LHRIUKSRPHFASO-UHFFFAOYSA-N,C5H6N2O,110.11,110.0480128,-0.3,41.5,169,0,1,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ISOCYTOSINE,000108-53-2,66950,2-amino-1H-pyrimidin-6-one,C1=CN=C(NC1=O)N,"InChI=1S/C4H5N3O/c5-4-6-2-1-3(8)7-4/h1-2H,(H3,5,6,7,8)",XQCZBXHVTFVIFE-UHFFFAOYSA-N,C4H5N3O,111.1,111.0432618,-1,67.5,170,0,2,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4(1H)-PYRIMIDINONE, 2,5,6-TRIAMINO-",001004-75-7,135406869,"2,4,5-triamino-1H-pyrimidin-6-one",C1(=C(N=C(NC1=O)N)N)N,"InChI=1S/C4H7N5O/c5-1-2(6)8-4(7)9-3(1)10/h5H2,(H5,6,7,8,9,10)",SYEYEGBZVSWYPK-UHFFFAOYSA-N,C4H7N5O,141.13,141.0650599,-2.2,120,240,0,4,4,0,10,,,0,0,0,0,0,1,0,1,0,0,0,0,0,1,0,0,1,0,1,1
"4,6-DIHYDROXY-5-NITROPYRIMIDINE",002164-83-2,75105,4-hydroxy-5-nitro-1H-pyrimidin-6-one,C1=NC(=C(C(=O)N1)[N+](=O)[O-])O,"InChI=1S/C4H3N3O4/c8-3-2(7(10)11)4(9)6-1-5-3/h1H,(H2,5,6,8,9)",ABTLZAVJDRUDNG-UHFFFAOYSA-N,C4H3N3O4,157.08,157.0123556,-0.3,108,274,0,2,5,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,6-DIHYDROXYPYRIMIDINE",001193-24-4,14512,4-hydroxy-1H-pyrimidin-6-one,C1=C(N=CNC1=O)O,"InChI=1S/C4H4N2O2/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8)",DUFGYCAXVIUXIP-UHFFFAOYSA-N,C4H4N2O2,112.09,112.0272774,-0.9,61.7,171,0,2,3,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4(1H)-PYRIMIDINONE,004562-27-0,20695,1H-pyrimidin-6-one,C1=CN=CNC1=O,"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)",DNCYBUMDUBHIJZ-UHFFFAOYSA-N,C4H4N2O,96.09,96.03236276,-1.4,41.5,137,0,1,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4(1H)-PYRIMIDINONE, 5-BROMO-",019808-30-1,88256,5-bromo-1H-pyrimidin-6-one,C1=C(C(=O)NC=N1)Br,"InChI=1S/C4H3BrN2O/c5-3-1-6-2-7-4(3)8/h1-2H,(H,6,7,8)",CLJIGLPOBRSBNU-UHFFFAOYSA-N,C4H3BrN2O,174.98,173.94288,0.2,41.5,173,0,1,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DIAMINO-6-HYDROXYPYRIMIDINE",000056-06-4,135408763,"2,4-diamino-1H-pyrimidin-6-one",C1=C(N=C(NC1=O)N)N,"InChI=1S/C4H6N4O/c5-2-1-3(9)8-4(6)7-2/h1H,(H5,5,6,7,8,9)",SWELIMKTDYHAOY-UHFFFAOYSA-N,C4H6N4O,126.12,126.0541608,-1.8,93.5,205,0,3,3,0,9,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Pyrimidinol, 2,6-diamino-5-nitroso-",2387-48-6,135408762,"2,4-diamino-5-nitroso-1H-pyrimidin-6-one",C1(=C(N=C(NC1=O)N)N)N=O,"InChI=1S/C4H5N5O2/c5-2-1(9-11)3(10)8-4(6)7-2/h(H5,5,6,7,8,10)",HVMRLFSFHWCUCG-UHFFFAOYSA-N,C4H5N5O2,155.12,155.0443244,-1.6,123,278,0,3,5,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"5-Pyrimidinecarboxylic acid, 4-hydroxy-, ethyl ester",4786-52-1,96347,ethyl 6-oxo-1H-pyrimidine-5-carboxylate,CCOC(=O)C1=CN=CNC1=O,"InChI=1S/C7H8N2O3/c1-2-12-7(11)5-3-8-4-9-6(5)10/h3-4H,2H2,1H3,(H,8,9,10)",PLMIZYMXBHSARX-UHFFFAOYSA-N,C7H8N2O3,168.15,168.0534921,-0.3,67.8,268,0,1,4,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Pyrimidinol, 5-butyl-2-dimethylamino-6-methyl-",5221-53-4,135424353,5-butyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one,CCCCC1=C(N=C(NC1=O)N(C)C)C,"InChI=1S/C11H19N3O/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15)",CJHXCRMKMMBYJQ-UHFFFAOYSA-N,C11H19N3O,209.29,209.1528122,1.5,44.7,316,0,1,2,4,15,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Uracil, 5-diazo-, monohydrate",7678-00-4,24327,5-diazonio-6-oxo-1H-pyrimidin-2-olate;hydrate,C1=C(C(=O)NC(=N1)[O-])[N+]#N.O,"InChI=1S/C4H2N4O2.H2O/c5-8-2-1-6-4(10)7-3(2)9;/h1H,(H-,6,7,9,10);1H2",JNEOXNPOFNWQGJ-UHFFFAOYSA-N,C4H4N4O3,156.1,156.02834,,93.7,281,0,2,5,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Pyrimidinol, 5-methyl-",17758-52-0,205324,5-methyl-1H-pyrimidin-6-one,CC1=CN=CNC1=O,"InChI=1S/C5H6N2O/c1-4-2-6-3-7-5(4)8/h2-3H,1H3,(H,6,7,8)",SHLJOANTPJWIHS-UHFFFAOYSA-N,C5H6N2O,110.11,110.0480128,-0.3,41.5,169,0,1,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4(1H)-Pyrimidinone, 5-butyl-2-(ethylamino)-6-methyl-",23947-60-6,135424354,5-butyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one,CCCCC1=C(N=C(NC1=O)NCC)C,"InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)",BBXXLROWFHWFQY-UHFFFAOYSA-N,C11H19N3O,209.29,209.1528122,1.7,53.5,305,0,2,2,5,15,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4(1H)-Pyrimidinone, 6-amino-2-(ethylthio)-",37660-22-3,135418977,4-amino-2-ethylsulfanyl-1H-pyrimidin-6-one,CCSC1=NC(=CC(=O)N1)N,"InChI=1S/C6H9N3OS/c1-2-11-6-8-4(7)3-5(10)9-6/h3H,2H2,1H3,(H3,7,8,9,10)",OYIIQANZEPCOQV-UHFFFAOYSA-N,C6H9N3OS,171.22,171.0466331,0.1,92.8,234,0,2,4,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Pyrimidinol, 6-methyl-5-propyl-",103980-68-3,135502773,4-methyl-5-propyl-1H-pyrimidin-6-one,CCCC1=C(N=CNC1=O)C,"InChI=1S/C8H12N2O/c1-3-4-7-6(2)9-5-10-8(7)11/h5H,3-4H2,1-2H3,(H,9,10,11)",UAJIFHDSCLQUON-UHFFFAOYSA-N,C8H12N2O,152.19,152.094963,1,41.5,228,0,1,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-AMINO-4,6-DIHYDROXYPYRIMIDINE",000056-09-7,66131,2-amino-4-hydroxy-1H-pyrimidin-6-one,C1=C(N=C(NC1=O)N)O,"InChI=1S/C4H5N3O2/c5-4-6-2(8)1-3(9)7-4/h1H,(H4,5,6,7,8,9)",AUFJTVGCSJNQIF-UHFFFAOYSA-N,C4H5N3O2,127.1,127.0381764,-1.4,87.7,206,0,3,3,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINO-6-METHYLPYRIMIDIN-4-OL,003977-29-5,135402055,2-amino-4-methyl-1H-pyrimidin-6-one,CC1=CC(=O)NC(=N1)N,"InChI=1S/C5H7N3O/c1-3-2-4(9)8-5(6)7-3/h2H,1H3,(H3,6,7,8,9)",KWXIPEYKZKIAKR-UHFFFAOYSA-N,C5H7N3O,125.13,125.0589119,-0.9,67.5,204,0,2,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2-[(4-HYDROXYPHENYL)SULFONYL]-",005397-34-2,79381,2-(4-hydroxyphenyl)sulfonylphenol,C1=CC=C(C(=C1)O)S(=O)(=O)C2=CC=C(C=C2)O,"InChI=1S/C12H10O4S/c13-9-5-7-10(8-6-9)17(15,16)12-4-2-1-3-11(12)14/h1-8,13-14H",LROZSPADHSXFJA-UHFFFAOYSA-N,C12H10O4S,250.27,250.02998,2,83,338,0,2,4,2,17,,,0,1,1,1,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0
PHENYL SULFONE,000127-63-9,31386,benzenesulfonylbenzene,C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2,"InChI=1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H",KZTYYGOKRVBIMI-UHFFFAOYSA-N,C12H10O2S,218.27,218.0401507,2.4,42.5,253,0,0,2,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-AMINOPHENYL SULFONE,000599-61-1,11741,3-(3-aminophenyl)sulfonylaniline,C1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2)N)N,"InChI=1S/C12H12N2O2S/c13-9-3-1-5-11(7-9)17(15,16)12-6-2-4-10(14)8-12/h1-8H,13-14H2",LJGHYPLBDBRCRZ-UHFFFAOYSA-N,C12H12N2O2S,248.3,248.0619488,1,94.6,322,0,2,4,2,17,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
4-CHLOROPHENYL PHENYL SULFONE,000080-00-2,6621,1-(benzenesulfonyl)-4-chlorobenzene,C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl,"InChI=1S/C12H9ClO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H",OFCFYWOKHPOXKF-UHFFFAOYSA-N,C12H9ClO2S,252.72,252.0011784,3.1,42.5,306,0,0,2,2,16,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BIS(4-FLUORO-3-NITROPHENYL)SULFONE,000312-30-1,9398,1-fluoro-4-(4-fluoro-3-nitrophenyl)sulfonyl-2-nitrobenzene,C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-])[N+](=O)[O-])F,"InChI=1S/C12H6F2N2O6S/c13-9-3-1-7(5-11(9)15(17)18)23(21,22)8-2-4-10(14)12(6-8)16(19)20/h1-6H",KHAWDEWNXJIVCJ-UHFFFAOYSA-N,C12H6F2N2O6S,344.25,343.9914634,2.6,134,526,0,0,8,2,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-CHLOROPHENYL SULFONE,000080-07-9,6625,1-chloro-4-(4-chlorophenyl)sulfonylbenzene,C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)Cl,"InChI=1S/C12H8Cl2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H",GPAPPPVRLPGFEQ-UHFFFAOYSA-N,C12H8Cl2O2S,287.2,285.9622061,3.9,42.5,306,0,0,2,2,17,,"Sublimes (NTP, 1992)",0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"4,4'-SULFONYLDIPHENOL",000080-09-1,6626,4-(4-hydroxyphenyl)sulfonylphenol,C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)O,"InChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H",VPWNQTHUCYMVMZ-UHFFFAOYSA-N,C12H10O4S,250.27,250.02998,1.9,83,302,0,2,4,2,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Ethanol, 2-(p-sulfanilylanilino)-",80-02-4,6622,2-[4-(4-aminophenyl)sulfonylanilino]ethanol,C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)NCCO,"InChI=1S/C14H16N2O3S/c15-11-1-5-13(6-2-11)20(18,19)14-7-3-12(4-8-14)16-9-10-17/h1-8,16-17H,9-10,15H2",LLBKEUTWJFQRJU-UHFFFAOYSA-N,C14H16N2O3S,292.36,292.0881636,0.9,101,378,0,3,5,5,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"Sulfone, bis(p-bromophenyl)",2050-48-8,95927,1-bromo-4-(4-bromophenyl)sulfonylbenzene,C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Br)Br,"InChI=1S/C12H8Br2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H",QBNABJXQGRVIRA-UHFFFAOYSA-N,C12H8Br2O2S,376.07,375.85913,4.2,42.5,306,0,0,2,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Sulfone, bis(2,4-dinitrophenyl)",12/6/86,97432,"1-(2,4-dinitrophenyl)sulfonyl-2,4-dinitrobenzene",C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C12H6N4O10S/c17-13(18)7-1-3-11(9(5-7)15(21)22)27(25,26)12-4-2-8(14(19)20)6-10(12)16(23)24/h1-6H",AFGYVZLIKYTRAH-UHFFFAOYSA-N,C12H6N4O10S,398.26,397.9804636,2.2,226,672,0,0,10,2,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Methanesulfonamide, N-(4-phenylsulfonyl-o-tolyl)-1,1,1-trifluoro-",37924-13-3,37869,"N-[4-(benzenesulfonyl)-2-methylphenyl]-1,1,1-trifluoromethanesulfonamide",CC1=C(C=CC(=C1)S(=O)(=O)C2=CC=CC=C2)NS(=O)(=O)C(F)(F)F,"InChI=1S/C14H12F3NO4S2/c1-10-9-12(23(19,20)11-5-3-2-4-6-11)7-8-13(10)18-24(21,22)14(15,16)17/h2-9,18H,1H3",WHTBVLXUSXVMEV-UHFFFAOYSA-N,C14H12F3NO4S2,379.4,379.0159847,3.3,97.1,628,0,1,8,4,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 4,4'-sulfonylbis(2,6-dibromo-",39635-79-5,170231,"2,6-dibromo-4-(3,5-dibromo-4-hydroxyphenyl)sulfonylphenol",C1=C(C=C(C(=C1Br)O)Br)S(=O)(=O)C2=CC(=C(C(=C2)Br)O)Br,"InChI=1S/C12H6Br4O4S/c13-7-1-5(2-8(14)11(7)17)21(19,20)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H",JHJUYGMZIWDHMO-UHFFFAOYSA-N,C12H6Br4O4S,565.9,565.66793,4.8,83,408,0,2,4,2,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 4,4'-sulfonylbis[2-(2-propen-1-yl)-",41481-66-7,833466,4-(4-hydroxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylphenol,C=CCC1=C(C=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)O)CC=C)O,"InChI=1S/C18H18O4S/c1-3-5-13-11-15(7-9-17(13)19)23(21,22)16-8-10-18(20)14(12-16)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2",MTMKZABGIQJAEX-UHFFFAOYSA-N,C18H18O4S,330.4,330.0925802,4.1,83,468,0,2,4,6,23,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Phenol, 4-[[4-(1-methylethoxy)phenyl]sulfonyl]-",95235-30-6,9904141,4-(4-propan-2-yloxyphenyl)sulfonylphenol,CC(C)OC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)O,"InChI=1S/C15H16O4S/c1-11(2)19-13-5-9-15(10-6-13)20(17,18)14-7-3-12(16)4-8-14/h3-11,16H,1-2H3",ZTILAOCGFRDHBH-UHFFFAOYSA-N,C15H16O4S,292.4,292.0769302,3,72,383,0,1,4,4,20,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 4-(PHENYLSULFONYL)-",005361-54-6,79322,4-(benzenesulfonyl)benzoic acid,C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O,"InChI=1S/C13H10O4S/c14-13(15)10-6-8-12(9-7-10)18(16,17)11-4-2-1-3-5-11/h1-9H,(H,14,15)",PKXDNBNSQBZKFO-UHFFFAOYSA-N,C13H10O4S,262.28,262.02998,2,79.8,382,0,1,4,3,18,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 4-[(4-AMINOPHENYL)SULFONYL]-",025963-47-7,117686,4-(4-aminophenyl)sulfonylphenol,C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)O,"InChI=1S/C12H11NO3S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,14H,13H2",PSHPCZGANRRQDN-UHFFFAOYSA-N,C12H11NO3S,249.29,249.0459644,1.6,88.8,333,0,2,4,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Sulfone, bis(p-nitrophenyl)",1156-50-9,70871,1-nitro-4-(4-nitrophenyl)sulfonylbenzene,C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C12H8N2O6S/c15-13(16)9-1-5-11(6-2-9)21(19,20)12-7-3-10(4-8-12)14(17)18/h1-8H",BVHNGWRPAFKGFP-UHFFFAOYSA-N,C12H8N2O6S,308.27,308.0103072,2.5,134,447,0,0,6,2,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 4-((4-(2-propen-1-yloxy)phenyl)sulfonyl)-",97042-18-7,2054598,4-(4-prop-2-enoxyphenyl)sulfonylphenol,C=CCOC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)O,"InChI=1S/C15H14O4S/c1-2-11-19-13-5-9-15(10-6-13)20(17,18)14-7-3-12(16)4-8-14/h2-10,16H,1,11H2",FKZIDBGIZLBDDF-UHFFFAOYSA-N,C15H14O4S,290.3,290.0612801,2.9,72,396,0,1,4,5,20,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
MALACHITE GREEN CARBINOL,000510-13-4,10521,bis[4-(dimethylamino)phenyl]-phenylmethanol,CN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)N(C)C)O,"InChI=1S/C23H26N2O/c1-24(2)21-14-10-19(11-15-21)23(26,18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,26H,1-4H3",LXHOGENDFZKPSF-UHFFFAOYSA-N,C23H26N2O,346.5,346.2045135,4.5,26.7,386,0,1,3,5,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEMETHANOL, 4-(DIMETHYLAMINO)-.ALPHA.,.ALPHA.-BIS[4-(DIMETHYLAMINO)PHENYL",000467-63-0,68050,tris[4-(dimethylamino)phenyl]methanol,CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)(C3=CC=C(C=C3)N(C)C)O,"InChI=1S/C25H31N3O/c1-26(2)22-13-7-19(8-14-22)25(29,20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18,29H,1-6H3",QFVDKARCPMTZCS-UHFFFAOYSA-N,C25H31N3O,389.5,389.2467126,4.6,30,413,0,1,4,6,29,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIPHENYLMETHYL BROMIDE,000596-43-0,11692,[bromo(diphenyl)methyl]benzene,C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)Br,"InChI=1S/C19H15Br/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",NZHXEWZGTQSYJM-UHFFFAOYSA-N,C19H15Br,323.2,322.03571,5.1,0,235,0,0,0,3,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
LEUCOBERBELIN BLUE I,052748-86-4,413004,2-[bis[4-(dimethylamino)phenyl]methyl]benzenesulfonic acid,CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=CC=C3S(=O)(=O)O,"InChI=1S/C23H26N2O3S/c1-24(2)19-13-9-17(10-14-19)23(18-11-15-20(16-12-18)25(3)4)21-7-5-6-8-22(21)29(26,27)28/h5-16,23H,1-4H3,(H,26,27,28)",MCKLFIWDQVFMEK-UHFFFAOYSA-N,C23H26N2O3S,410.5,410.1664139,4.3,69.2,572,0,1,5,6,29,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRIPHENYLMETHANE,000519-73-3,10614,benzhydrylbenzene,C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C19H16/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H",AAAQKTZKLRYKHR-UHFFFAOYSA-N,C19H16,244.3,244.1252005,5.3,0,196,0,0,0,3,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PARA-ANISYLCHLORODIPHENYLMETHANE,014470-28-1,84462,1-[chloro(diphenyl)methyl]-4-methoxybenzene,COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)Cl,"InChI=1S/C20H17ClO/c1-22-19-14-12-18(13-15-19)20(21,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15H,1H3",OBOHMJWDFPBPKD-UHFFFAOYSA-N,C20H17ClO,308.8,308.0967929,5.5,9.2,305,0,0,1,4,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LEUCOCRYSTAL VIOLET,000603-48-5,69048,"4-[bis[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline",CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C,"InChI=1S/C25H31N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18,25H,1-6H3",OAZWDJGLIYNYMU-UHFFFAOYSA-N,C25H31N3,373.5,373.251798,5.7,9.7,370,0,0,3,6,28,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"ALPHA,ALPHA-DIPHENYLBENZENEMETHANETHIOL",003695-77-0,77281,triphenylmethanethiol,C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)S,"InChI=1S/C19H16S/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H",JQZIKLPHXXBMCA-UHFFFAOYSA-N,C19H16S,276.4,276.0972717,4.7,1,235,0,1,1,3,20,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TRITYLAMINE,005824-40-8,138598,triphenylmethanamine,C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N,"InChI=1S/C19H17N/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,20H2",BZVJOYBTLHNRDW-UHFFFAOYSA-N,C19H17N,259.3,259.1360995,3.4,26,235,0,1,1,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, METHYLIDYNETRIS-",025639-41-2,69047,4-[bis(4-hydroxyphenyl)methyl]phenol,C1=CC(=CC=C1C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)O,"InChI=1S/C19H16O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,19-22H",WFCQTAXSWSWIHS-UHFFFAOYSA-N,C19H16O3,292.3,292.1099444,3.9,60.7,269,0,3,3,3,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
LEUCOMALACHITE GREEN,000129-73-7,67215,"4-[[4-(dimethylamino)phenyl]-phenylmethyl]-N,N-dimethylaniline",CN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C,"InChI=1S/C23H26N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,23H,1-4H3",WZKXBGJNNCGHIC-UHFFFAOYSA-N,C23H26N2,330.5,330.2095988,5.3,6.5,342,0,0,2,5,25,,,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"4,4',4''-TRIAMINOTRITYL ALCOHOL",000467-62-9,10084,tris(4-aminophenyl)methanol,C1=CC(=CC=C1C(C2=CC=C(C=C2)N)(C3=CC=C(C=C3)N)O)N,"InChI=1S/C19H19N3O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H,20-22H2",KRVRUAYUNOQMOV-UHFFFAOYSA-N,C19H19N3O,305.4,305.1528122,2.2,98.3,310,0,4,4,3,23,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,1,1-TRIS(4-HYDROXYPHENYL)ETHANE",027955-94-8,93118,"4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol",CC(C1=CC=C(C=C1)O)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O,"InChI=1S/C20H18O3/c1-20(14-2-8-17(21)9-3-14,15-4-10-18(22)11-5-15)16-6-12-19(23)13-7-16/h2-13,21-23H,1H3",BRPSWMCDEYMRPE-UHFFFAOYSA-N,C20H18O3,306.4,306.1255944,4.1,60.7,304,0,3,3,3,23,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIPHENYLACETIC ACID,000595-91-5,68992,"2,2,2-triphenylacetic acid",C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O,"InChI=1S/C20H16O2/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,21,22)",DCYGAPKNVCQNOE-UHFFFAOYSA-N,C20H16O2,288.3,288.1150297,4,37.3,312,0,1,2,4,22,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Methane, tris(4-aminophenyl)-",548-61-8,68356,4-[bis(4-aminophenyl)methyl]aniline,C1=CC(=CC=C1C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)N,"InChI=1S/C19H19N3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,19H,20-22H2",ADUMIBSPEHFSLA-UHFFFAOYSA-N,C19H19N3,289.4,289.1578976,3.3,78.1,269,0,3,3,3,22,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 4,4'-(1-phenylethylidene)bis-",1571-75-1,623849,4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenol,CC(C1=CC=CC=C1)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O,"InChI=1S/C20H18O2/c1-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h2-14,21-22H,1H3",VOWWYDCFAISREI-UHFFFAOYSA-N,C20H18O2,290.4,290.1306798,4.4,40.5,310,0,2,2,3,22,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Alanine, 3-(tritylthio)-, L-",7/7/99,76044,(2R)-2-amino-3-tritylsulfanylpropanoic acid,C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)N,"InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1",DLMYFMLKORXJPO-FQEVSTJZSA-N,C22H21NO2S,363.5,363.1293001,2,88.6,392,0,2,4,7,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Methanol, tris(4-chlorophenyl)-",3010-80-8,76379,tris(4-chlorophenyl)methanol,C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)O)Cl,"InChI=1S/C19H13Cl3O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H",BPFKTJMHOWDJKI-UHFFFAOYSA-N,C19H13Cl3O,363.7,362.003198,6.1,20.2,310,0,1,1,3,23,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIPHENYLCHLOROMETHANE,000076-83-5,6456,[chloro(diphenyl)methyl]benzene,C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)Cl,"InChI=1S/C19H15Cl/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",JBWKIWSBJXDJDT-UHFFFAOYSA-N,C19H15Cl,278.8,278.0862282,5,0,235,0,0,0,3,20,,310 °C @ 760 MM HG,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-DIMETHOXYTRITYL CHLORIDE",040615-36-9,96831,1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene,COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)Cl,"InChI=1S/C21H19ClO2/c1-23-19-12-8-17(9-13-19)21(22,16-6-4-3-5-7-16)18-10-14-20(24-2)15-11-18/h3-15H,1-2H3",JBWYRBLDOOOJEU-UHFFFAOYSA-N,C21H19ClO2,338.8,338.1073575,5.4,18.5,340,0,0,2,5,24,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"2-CYCLOHEXEN-1-ONE, 4-(1-METHYLETHYL)-",000500-02-7,92780,4-propan-2-ylcyclohex-2-en-1-one,CC(C)C1CCC(=O)C=C1,"InChI=1S/C9H14O/c1-7(2)8-3-5-9(10)6-4-8/h3,5,7-8H,4,6H2,1-2H3",AANMVENRNJYEMK-UHFFFAOYSA-N,C9H14O,138.21,138.1044651,2,17.1,156,0,0,1,1,10,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-(1-(((3-CHLORO-2-PROPENYL)OXY)IMINO)PROPYL)-5-(2-(ETHYLTHIO)PROPYL)-3-HYDROXY-2-CYCLOHEXEN-1-ONE,99129-21-2,136469009,2-[N-[(E)-3-chloroprop-2-enoxy]-C-ethylcarbonimidoyl]-5-(2-ethylsulfanylpropyl)-3-hydroxycyclohex-2-en-1-one,CCC(=NOC/C=C/Cl)C1=C(CC(CC1=O)CC(C)SCC)O,"InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14?",SILSDTWXNBZOGF-JWGBMQLESA-N,C17H26ClNO3S,359.9,359.1321926,3.8,84.2,488,0,1,5,9,23,162 °F (72 °C) (Closed cup) /Select Max Herbicide/,Decomposes below boiling point,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Retinoic acid, 4-oxo-",038030-57-8,6437063,"(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid",CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C,"InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+",GGCUJPCCTQNTJF-FRCNGJHJSA-N,C20H26O3,314.4,314.1881947,4.8,54.4,638,0,1,3,5,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"2-CYCLOHEXEN-1-ONE, 3-METHYL-6-(1-METHYLETHYL)-",000089-81-6,6987,3-methyl-6-propan-2-ylcyclohex-2-en-1-one,CC1=CC(=O)C(CC1)C(C)C,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3",YSTPAHQEHQSRJD-UHFFFAOYSA-N,C10H16O,152.23,152.1201151,2.2,17.1,189,0,0,1,1,11,,233.00 to 235.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-CYCLOHEXEN-1-ONE, 3-METHYL-5-PROPYL-",003720-16-9,3782139,3-methyl-5-propylcyclohex-2-en-1-one,CCCC1CC(=CC(=O)C1)C,"InChI=1S/C10H16O/c1-3-4-9-5-8(2)6-10(11)7-9/h6,9H,3-5,7H2,1-2H3",URQMEZRQHLCJKR-UHFFFAOYSA-N,C10H16O,152.23,152.1201151,2.3,17.1,179,0,0,1,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-CYCLOHEXEN-1-ONE, 3-METHYL-6-(1-METHYLETHYL)-, (R)-",004573-50-6,107561,(6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-one,CC1=CC(=O)[C@H](CC1)C(C)C,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3/t9-/m1/s1",YSTPAHQEHQSRJD-SECBINFHSA-N,C10H16O,152.23,152.1201151,2.2,17.1,189,0,0,1,1,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-CYCLOHEXEN-1-ONE, DIETHYLDIMETHYL-",068845-36-3,111384,"3,4-diethyl-2,5-dimethylcyclohex-2-en-1-one",CCC1C(CC(=O)C(=C1CC)C)C,"InChI=1S/C12H20O/c1-5-10-8(3)7-12(13)9(4)11(10)6-2/h8,10H,5-7H2,1-4H3",XTLADQIHXKMVGQ-UHFFFAOYSA-N,C12H20O,180.29,180.1514153,2.9,17.1,238,0,0,1,2,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
(-)-3-DEHYDROSHIKIMIC ACID,027655-56-7,439774,"(4S,5R)-4,5-dihydroxy-3-oxocyclohexene-1-carboxylic acid",C1[C@H]([C@@H](C(=O)C=C1C(=O)O)O)O,"InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/t5-,6-/m1/s1",SLWWJZMPHJJOPH-PHDIDXHHSA-N,C7H8O5,172.13,172.0371734,-1.4,94.8,255,0,3,5,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"(S-(Z,E))-5-(1-HYDROXY-2,6,6-TRIMETHYL-4-OXO-2-CYCLOHEXEN-1-YL)-3-METHYL-2,4-PENTADIENOIC ACID",21293-29-8,5280896,"(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid",CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C,"InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1",JLIDBLDQVAYHNE-YKALOCIXSA-N,C15H20O4,264.32,264.1361591,1.6,74.6,494,0,2,4,3,19,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
SETHOXYDIM [2-[1-(ETHOXYAMINO)BUTYL]-5-[2-(ETHYLTHIO)PROPYL]-3-HYDROXY-2-CYCLO,074051-80-2,135491830,2-[(E)-N-ethoxy-C-propylcarbonimidoyl]-5-(2-ethylsulfanylpropyl)-3-hydroxycyclohex-2-en-1-one,CCC/C(=N\OCC)/C1=C(CC(CC1=O)CC(C)SCC)O,"InChI=1S/C17H29NO3S/c1-5-8-14(18-21-6-2)17-15(19)10-13(11-16(17)20)9-12(4)22-7-3/h12-13,19H,5-11H2,1-4H3/b18-14+",CSPPKDPQLUUTND-NBVRZTHBSA-N,C17H29NO3S,327.5,327.186815,3.6,84.2,432,0,1,5,9,22,,>90 °C at pressure 3X10-5 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-CYCLOHEXENE-1-CARBOXYLIC ACID, 2-METHYL-4-OXO-6-PENTYL-, ETHYL ESTER",059151-19-8,100968,ethyl 2-methyl-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate,CCCCCC1CC(=O)C=C(C1C(=O)OCC)C,"InChI=1S/C15H24O3/c1-4-6-7-8-12-10-13(16)9-11(3)14(12)15(17)18-5-2/h9,12,14H,4-8,10H2,1-3H3",ZJLHQWGPVWXKME-UHFFFAOYSA-N,C15H24O3,252.35,252.1725446,3.3,43.4,331,0,0,3,7,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamic acid, dimethyl-, ester with 3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one",122-15-6,31201,"(5,5-dimethyl-3-oxocyclohexen-1-yl) N,N-dimethylcarbamate",CC1(CC(=CC(=O)C1)OC(=O)N(C)C)C,"InChI=1S/C11H17NO3/c1-11(2)6-8(13)5-9(7-11)15-10(14)12(3)4/h5H,6-7H2,1-4H3",ITEQSCBLCCNACE-UHFFFAOYSA-N,C11H17NO3,211.26,211.1208434,1.2,46.6,316,0,0,3,2,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ISOPHORONE,000078-59-1,6544,"3,5,5-trimethylcyclohex-2-en-1-one",CC1=CC(=O)CC(C1)(C)C,"InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3",HJOVHMDZYOCNQW-UHFFFAOYSA-N,C9H14O,138.21,138.1044651,1.6,17.1,187,0,0,1,0,10,"184 °F (NTP, 1992)","419.4 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,1
(S)-(+)-CARVONE,002244-16-8,16724,(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one,CC1=CC[C@@H](CC1=O)C(=C)C,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1",ULDHMXUKGWMISQ-VIFPVBQESA-N,C10H14O,150.22,150.1044651,2.4,17.1,223,0,0,1,1,11,"192 °F (NTP, 1992)","446 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-CYCLOHEXEN-1-ONE, 2-METHYL-5-(1-METHYLETHENYL)-, (R)-",006485-40-1,439570,(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one,CC1=CC[C@H](CC1=O)C(=C)C,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1",ULDHMXUKGWMISQ-SECBINFHSA-N,C10H14O,150.22,150.1044651,2.4,17.1,223,0,0,1,1,11,,227.00 to 230.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1-TRIMETHYLSILYL-1,2,4-TRIAZOLE",018293-54-4,87558,"trimethyl(1,2,4-triazol-1-yl)silane",C[Si](C)(C)N1C=NC=N1,"InChI=1S/C5H11N3Si/c1-9(2,3)8-5-6-4-7-8/h4-5H,1-3H3",WPSPBNRWECRRPK-UHFFFAOYSA-N,C5H11N3Si,141.25,141.0722239,,30.7,98,0,0,2,1,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"3,5-DIBROMO-1H-1,2,4-TRIAZOLE",007411-23-6,81904,"3,5-dibromo-1H-1,2,4-triazole",C1(=NC(=NN1)Br)Br,"InChI=1S/C2HBr2N3/c3-1-5-2(4)7-6-1/h(H,5,6,7)",FRAKFBWDPXYIQO-UHFFFAOYSA-N,C2HBr2N3,226.86,226.85167,2.2,41.6,68,0,1,2,0,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1,2,4-TRIAZOLE, 3-CHLORO-",006818-99-1,81265,"5-chloro-1H-1,2,4-triazole",C1=NNC(=N1)Cl,"InChI=1S/C2H2ClN3/c3-2-4-1-5-6-2/h1H,(H,4,5,6)",QGOUKZPSCTVYLX-UHFFFAOYSA-N,C2H2ClN3,103.51,102.9937248,0.9,41.6,48,0,1,2,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLATE",004928-88-5,2735089,"methyl 1H-1,2,4-triazole-5-carboxylate",COC(=O)C1=NC=NN1,"InChI=1S/C4H5N3O2/c1-9-4(8)3-5-2-6-7-3/h2H,1H3,(H,5,6,7)",QMPFMODFBNEYJH-UHFFFAOYSA-N,C4H5N3O2,127.1,127.0381764,0.2,67.9,116,0,1,4,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID, 5-AMINO-",003641-13-2,77200,"3-amino-1H-1,2,4-triazole-5-carboxylic acid",C1(=NC(=NN1)N)C(=O)O,"InChI=1S/C3H4N4O2/c4-3-5-1(2(8)9)6-7-3/h(H,8,9)(H3,4,5,6,7)",MVRGLMCHDCMPKD-UHFFFAOYSA-N,C3H4N4O2,128.09,128.0334254,-0.5,105,127,0,3,5,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID, 5-AMINO-, ETHYL ESTER",063666-11-5,98568,"ethyl 3-amino-1H-1,2,4-triazole-5-carboxylate",CCOC(=O)C1=NC(=NN1)N,"InChI=1S/C5H8N4O2/c1-2-11-4(10)3-7-5(6)9-8-3/h2H2,1H3,(H3,6,7,8,9)",MLVNUTAJXZZPCJ-UHFFFAOYSA-N,C5H8N4O2,156.14,156.0647255,0.2,93.9,151,0,2,5,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"3-AMINO-1,2,4-TRIAZOLE-5-CARBOXYLIC ACID HYDRATE",,16211818,"3-amino-1H-1,2,4-triazole-5-carboxylic acid;hydrate",C1(=NC(=NN1)N)C(=O)O.O,"InChI=1S/C3H4N4O2.H2O/c4-3-5-1(2(8)9)6-7-3;/h(H,8,9)(H3,4,5,6,7);1H2",AGJCUQSNRFXRDU-UHFFFAOYSA-N,C3H6N4O3,146.11,146.0439901,,106,127,0,4,6,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, N-(s-triazolyl)-",5295-23-8,266439,"N-(1H-1,2,4-triazol-5-yl)acetamide",CC(=O)NC1=NC=NN1,"InChI=1S/C4H6N4O/c1-3(9)7-4-5-2-6-8-4/h2H,1H3,(H2,5,6,7,8,9)",REGWOMUKTJWBAW-UHFFFAOYSA-N,C4H6N4O,126.12,126.0541608,-0.5,70.7,115,0,2,3,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1,2,4-Triazole-3-propanoic acid, alpha-amino-",10109-05-4,92235,"2-amino-3-(1H-1,2,4-triazol-5-yl)propanoic acid",C1=NNC(=N1)CC(C(=O)O)N,"InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)",CAPORZWUTKSILW-UHFFFAOYSA-N,C5H8N4O2,156.14,156.0647255,-3.3,105,151,0,3,5,3,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-1,2,4-Triazole, 3-nitro-",24807-55-4,90614,"5-nitro-1H-1,2,4-triazole",C1=NNC(=N1)[N+](=O)[O-],"InChI=1S/C2H2N4O2/c7-6(8)2-3-1-4-5-2/h1H,(H,3,4,5)",KUEFXPHXHHANKS-UHFFFAOYSA-N,C2H2N4O2,114.06,114.0177753,0.1,87.4,98,0,1,4,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphorothioic acid, O-(5-chloro-1-(1-methylethyl)-1H-1,2,4-triazol-3-yl) O,O-diethyl ester",42509-80-8,39223,"(5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane",CCOP(=S)(OCC)OC1=NN(C(=N1)Cl)C(C)C,"InChI=1S/C9H17ClN3O3PS/c1-5-14-17(18,15-6-2)16-9-11-8(10)13(12-9)7(3)4/h7H,5-6H2,1-4H3",XRHGWAGWAHHFLF-UHFFFAOYSA-N,C9H17ClN3O3PS,313.74,313.0416773,3.9,90.5,301,0,0,6,7,18,,170 °C at 760 mm Hg,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
"1H-1,2,4-Triazole-1-ethanamine",51444-31-6,3039957,"2-(1,2,4-triazol-1-yl)ethanamine",C1=NN(C=N1)CCN,"InChI=1S/C4H8N4/c5-1-2-8-4-6-3-7-8/h3-4H,1-2,5H2",IDWZESHNJMMWTR-UHFFFAOYSA-N,C4H8N4,112.13,112.0748963,-1,56.7,65,0,1,3,2,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1,2,4-Triazole-1-acetic acid, 3-nitro-",,1242264,"2-(3-nitro-1,2,4-triazol-1-yl)acetic acid",C1=NC(=NN1CC(=O)O)[N+](=O)[O-],"InChI=1S/C4H4N4O4/c9-3(10)1-7-2-5-4(6-7)8(11)12/h2H,1H2,(H,9,10)",JNJSKDYVVRMEPN-UHFFFAOYSA-N,C4H4N4O4,172.1,172.0232546,-0.7,114,202,0,1,6,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4-TRIAZOLE",000288-88-0,9257,"1H-1,2,4-triazole",C1=NC=NN1,"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)",NSPMIYGKQJPBQR-UHFFFAOYSA-N,C2H3N3,69.07,69.03269711,-0.6,41.6,28,0,1,2,0,5,170 °C closed cup,260 °C (decomposes),0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
"1-METHYL-1,2,4-TRIAZOLE",006086-21-1,22459,"1-methyl-1,2,4-triazole",CN1C=NC=N1,"InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3",MWZDIEIXRBWPLG-UHFFFAOYSA-N,C3H5N3,83.09,83.04834717,0,30.7,45,0,0,2,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMITROLE,000061-82-5,1639,"1H-1,2,4-triazol-5-amine",C1=NNC(=N1)N,"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)",KLSJWNVTNUYHDU-UHFFFAOYSA-N,C2H4N4,84.08,84.04359615,-0.4,67.6,44,0,2,3,0,6,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"2,3-DIMETHYLQUINOXALINE",002379-55-7,16925,"2,3-dimethylquinoxaline",CC1=NC2=CC=CC=C2N=C1C,"InChI=1S/C10H10N2/c1-7-8(2)12-10-6-4-3-5-9(10)11-7/h3-6H,1-2H3",FKHNZQFCDGOQGV-UHFFFAOYSA-N,C10H10N2,158.2,158.0843983,2,25.8,140,0,0,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-DICHLOROQUINOXALINE",002213-63-0,16659,"2,3-dichloroquinoxaline",C1=CC=C2C(=C1)N=C(C(=N2)Cl)Cl,InChI=1S/C8H4Cl2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H,SPSSDDOTEZKOOV-UHFFFAOYSA-N,C8H4Cl2N2,199.03,197.9751535,3.1,25.8,147,0,0,2,0,12,"greater than 167 °F (NTP, 1992)",,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"QUINOXALINE, 2,6-DICHLORO-",018671-97-1,87748,"2,6-dichloroquinoxaline",C1=CC2=NC(=CN=C2C=C1Cl)Cl,InChI=1S/C8H4Cl2N2/c9-5-1-2-6-7(3-5)11-4-8(10)12-6/h1-4H,WFOKVKYNVKVWFK-UHFFFAOYSA-N,C8H4Cl2N2,199.03,197.9751535,2.9,25.8,165,0,0,2,0,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"QUINOXALINE, 2,3,6-TRICHLORO-",002958-87-4,18070,"2,3,6-trichloroquinoxaline",C1=CC2=C(C=C1Cl)N=C(C(=N2)Cl)Cl,InChI=1S/C8H3Cl3N2/c9-4-1-2-5-6(3-4)13-8(11)7(10)12-5/h1-3H,GZEGFNCRZUGIOB-UHFFFAOYSA-N,C8H3Cl3N2,233.5,231.936181,3.8,25.8,190,0,0,2,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-QUINOXALINAMINE, 6-METHOXY-2,3-DIMETHYL-",032387-83-0,122603,"6-methoxy-2,3-dimethylquinoxalin-5-amine",CC1=C(N=C2C(=N1)C=CC(=C2N)OC)C,"InChI=1S/C11H13N3O/c1-6-7(2)14-11-8(13-6)4-5-9(15-3)10(11)12/h4-5H,12H2,1-3H3",SDEJCUPNRCXJQN-UHFFFAOYSA-N,C11H13N3O,203.24,203.105862,1.3,61,224,0,1,4,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"QUINOXALINE, 2,3-BIS(BROMOMETHYL)-",003138-86-1,18449,"2,3-bis(bromomethyl)quinoxaline",C1=CC=C2C(=C1)N=C(C(=N2)CBr)CBr,"InChI=1S/C10H8Br2N2/c11-5-9-10(6-12)14-8-4-2-1-3-7(8)13-9/h1-4H,5-6H2",LHKFFORGJVELPC-UHFFFAOYSA-N,C10H8Br2N2,315.99,315.90337,2.4,25.8,169,0,0,2,2,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
QUINOXALINE,000091-19-0,7045,quinoxaline,C1=CC=C2C(=C1)N=CC=N2,InChI=1S/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H,XSCHRSMBECNVNS-UHFFFAOYSA-N,C8H6N2,130.15,130.0530982,1.3,25.8,99,0,0,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-QUINOXALINECARBOXYLIC ACID,000879-65-2,96695,quinoxaline-2-carboxylic acid,C1=CC=C2C(=C1)N=CC(=N2)C(=O)O,"InChI=1S/C9H6N2O2/c12-9(13)8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13)",UPUZGXILYFKSGE-UHFFFAOYSA-N,C9H6N2O2,174.16,174.0429274,1.6,63.1,208,0,1,4,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-METHYLQUINOXALINE,007251-61-8,23686,2-methylquinoxaline,CC1=NC2=CC=CC=C2N=C1,"InChI=1S/C9H8N2/c1-7-6-10-8-4-2-3-5-9(8)11-7/h2-6H,1H3",ALHUXMDEZNLFTA-UHFFFAOYSA-N,C9H8N2,144.17,144.0687483,1.6,25.8,136,0,0,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"QUINOXALINE, 5-METHYL-",013708-12-8,61670,5-methylquinoxaline,CC1=C2C(=CC=C1)N=CC=N2,"InChI=1S/C9H8N2/c1-7-3-2-4-8-9(7)11-6-5-10-8/h2-6H,1H3",CQLOYHZZZCWHSG-UHFFFAOYSA-N,C9H8N2,144.17,144.0687483,2,25.8,136,0,0,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinoxaline, 2-(tribromomethyl)-",7251-36-7,96377,2-(tribromomethyl)quinoxaline,C1=CC=C2C(=C1)N=CC(=N2)C(Br)(Br)Br,"InChI=1S/C9H5Br3N2/c10-9(11,12)8-5-13-6-3-1-2-4-7(6)14-8/h1-5H",VCCOPRMZNNMFLI-UHFFFAOYSA-N,C9H5Br3N2,380.86,379.79824,3.4,25.8,205,0,0,2,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"6-Quinoxalinamine, 2,3-dimethyl-",7576-88-7,146053,"2,3-dimethylquinoxalin-6-amine",CC1=C(N=C2C=C(C=CC2=N1)N)C,"InChI=1S/C10H11N3/c1-6-7(2)13-10-5-8(11)3-4-9(10)12-6/h3-5H,11H2,1-2H3",QBZGAULXCVZXFL-UHFFFAOYSA-N,C10H11N3,173.21,173.0952974,1.3,51.8,183,0,1,3,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Quinoxaline, 5-amino-",16566-20-4,85494,quinoxalin-5-amine,C1=CC(=C2C(=C1)N=CC=N2)N,"InChI=1S/C8H7N3/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-5H,9H2",SAAYZFAHJFPOHZ-UHFFFAOYSA-N,C8H7N3,145.16,145.0639972,1.3,51.8,137,0,1,3,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrazinecarboxylic acid, (2-quinoxalinylmethylene)-, methyl ester",55456-55-8,9568819,methyl N-[(E)-quinoxalin-2-ylmethylideneamino]carbamate,COC(=O)N/N=C/C1=NC2=CC=CC=C2N=C1,"InChI=1S/C11H10N4O2/c1-17-11(16)15-13-7-8-6-12-9-4-2-3-5-10(9)14-8/h2-7H,1H3,(H,15,16)/b13-7+",SOEMFPLGOUBPJQ-NTUHNPAUSA-N,C11H10N4O2,230.22,230.0803756,1.2,76.5,295,0,1,5,3,17,,,0,0,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"2-Quinoxalinecarbonitrile, 7-chloro-3-((3-dimethylaminopropyl)amino)-, 1,4-dioxide, hydrochloride",,593212,quinoxaline-2-carbonitrile,C1=CC=C2C(=C1)N=CC(=N2)C#N,"InChI=1S/C9H5N3/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,6H",IVYZWJPQNNZOHV-UHFFFAOYSA-N,C9H5N3,155.16,155.0483472,1.3,49.6,205,0,0,3,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6-Quinoxalinol, 2,3-bis(4-methoxyphenyl)-",,135420609,quinoxalin-6-ol,C1=CC2=NC=CN=C2C=C1O,"InChI=1S/C8H6N2O/c11-6-1-2-7-8(5-6)10-4-3-9-7/h1-5,11H",RQPVXTQTNVVKEJ-UHFFFAOYSA-N,C8H6N2O,146.15,146.0480128,1.1,46,140,0,1,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-QUINOXALOYL CHLORIDE,054745-92-5,2734681,quinoxaline-2-carbonyl chloride,C1=CC=C2C(=C1)N=CC(=N2)C(=O)Cl,InChI=1S/C9H5ClN2O/c10-9(13)8-5-11-6-3-1-2-4-7(6)12-8/h1-5H,SOPDQKNXOCUBSR-UHFFFAOYSA-N,C9H5ClN2O,192.6,192.0090405,2.6,42.9,210,0,0,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1H-INDAZOL-5-AMINE,019335-11-6,88012,1H-indazol-5-amine,C1=CC2=C(C=C1N)C=NN2,"InChI=1S/C7H7N3/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,8H2,(H,9,10)",XBTOSRUBOXQWBO-UHFFFAOYSA-N,C7H7N3,133.15,133.0639972,1.5,54.7,126,0,2,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-INDAZOLE, 6-NITRO-",007597-18-4,24239,6-nitro-1H-indazole,C1=CC2=C(C=C1[N+](=O)[O-])NN=C2,"InChI=1S/C7H5N3O2/c11-10(12)6-2-1-5-4-8-9-7(5)3-6/h1-4H,(H,8,9)",ORZRMRUXSPNQQL-UHFFFAOYSA-N,C7H5N3O2,163.13,163.0381764,2.1,74.5,192,0,1,3,0,12,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-FLUORO MDMB-BINACA,2390036-46-9,145707216,"methyl (2S)-2-[[1-(4-fluorobutyl)indazole-3-carbonyl]amino]-3,3-dimethylbutanoate",CC(C)(C)[C@@H](C(=O)OC)NC(=O)C1=NN(C2=CC=CC=C21)CCCCF,"InChI=1S/C19H26FN3O3/c1-19(2,3)16(18(25)26-4)21-17(24)15-13-9-5-6-10-14(13)23(22-15)12-8-7-11-20/h5-6,9-10,16H,7-8,11-12H2,1-4H3,(H,21,24)/t16-/m1/s1",GZGKSDAMWRWYOZ-MRXNPFEDSA-N,C19H26FN3O3,363.4,363.1958199,3.9,73.2,495,0,1,5,9,26,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1H-INDAZOL-3-AMINE,000874-05-5,13399,1H-indazol-3-amine,C1=CC=C2C(=C1)C(=NN2)N,"InChI=1S/C7H7N3/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H3,8,9,10)",YDTDKKULPWTHRV-UHFFFAOYSA-N,C7H7N3,133.15,133.0639972,1.2,54.7,126,0,2,2,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
INDAZOLE,000271-44-3,9221,1H-indazole,C1=CC=C2C(=C1)C=NN2,"InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)",BAXOFTOLAUCFNW-UHFFFAOYSA-N,C7H6N2,118.14,118.0530982,1.8,28.7,103,0,1,1,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(R)-5-FLUORO-ADB,1838134-16-9,119025633,"methyl (2R)-2-[[1-(5-fluoropentyl)indazole-3-carbonyl]amino]-3,3-dimethylbutanoate",CC(C)(C)[C@H](C(=O)OC)NC(=O)C1=NN(C2=CC=CC=C21)CCCCCF,"InChI=1S/C20H28FN3O3/c1-20(2,3)17(19(26)27-4)22-18(25)16-14-10-6-7-11-15(14)24(23-16)13-9-5-8-12-21/h6-7,10-11,17H,5,8-9,12-13H2,1-4H3,(H,22,25)/t17-/m0/s1",PWEKNGSNNAKWBL-KRWDZBQOSA-N,C20H28FN3O3,377.5,377.2114699,4.2,73.2,509,0,1,5,10,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"Indazole, 4-nitro-",2942-40-7,18057,4-nitro-1H-indazole,C1=CC2=C(C=NN2)C(=C1)[N+](=O)[O-],"InChI=1S/C7H5N3O2/c11-10(12)7-3-1-2-6-5(7)4-8-9-6/h1-4H,(H,8,9)",WBTVZVUYPVQEIF-UHFFFAOYSA-N,C7H5N3O2,163.13,163.0381764,1.4,74.5,192,0,1,3,0,12,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1H-Indazol-6-amine,6967-12-0,81423,1H-indazol-6-amine,C1=CC2=C(C=C1N)NN=C2,"InChI=1S/C7H7N3/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,8H2,(H,9,10)",KEJFADGISRFLFO-UHFFFAOYSA-N,C7H7N3,133.15,133.0639972,1.6,54.7,126,0,2,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indazole, 5,6-diamino-",7404-68-4,81900,"1H-indazole-5,6-diamine",C1=C2C=NNC2=CC(=C1N)N,"InChI=1S/C7H8N4/c8-5-1-4-3-10-11-7(4)2-6(5)9/h1-3H,8-9H2,(H,10,11)",QJPUNSUXMNSPCN-UHFFFAOYSA-N,C7H8N4,148.17,148.0748963,0.2,80.7,149,0,3,3,0,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1H-Indazol-5-ol,15579-15-4,101438,1H-indazol-5-ol,C1=CC2=C(C=C1O)C=NN2,"InChI=1S/C7H6N2O/c10-6-1-2-7-5(3-6)4-8-9-7/h1-4,10H,(H,8,9)",ZHDXWEPRYNHNDC-UHFFFAOYSA-N,C7H6N2O,134.14,134.0480128,1.8,48.9,129,0,2,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
6-Indazolol,23244-88-4,135483987,1H-indazol-6-ol,C1=CC2=C(C=C1O)NN=C2,"InChI=1S/C7H6N2O/c10-6-2-1-5-4-8-9-7(5)3-6/h1-4,10H,(H,8,9)",NUYZVDBIVNOTSC-UHFFFAOYSA-N,C7H6N2O,134.14,134.0480128,1.9,48.9,129,0,2,2,0,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Indazole-3-carboxylic acid, 1-(2,4-dichlorophenylmethyl)-, hydrazide",,78250,1H-indazole-3-carboxylic acid,C1=CC=C2C(=C1)C(=NN2)C(=O)O,"InChI=1S/C8H6N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)(H,11,12)",BHXVYTQDWMQVBI-UHFFFAOYSA-N,C8H6N2O2,162.15,162.0429274,1.4,66,195,0,2,3,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-NITROINDAZOLE,005401-94-5,21501,5-nitro-1H-indazole,C1=CC2=C(C=C1[N+](=O)[O-])C=NN2,"InChI=1S/C7H5N3O2/c11-10(12)6-1-2-7-5(3-6)4-8-9-7/h1-4H,(H,8,9)",WSGURAYTCUVDQL-UHFFFAOYSA-N,C7H5N3O2,163.13,163.0381764,2,74.5,192,0,1,3,0,12,,,0,0,0,1,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"METHYL (S)-2-(1-(5-FLUOROPENTYL)-1H-INDAZOLE-3-CARBOXAMIDO)-3,3-DIMETHYLBUTANOATE",1715016-75-3,121491649,"methyl (2S)-2-[[1-(5-fluoropentyl)indazole-3-carbonyl]amino]-3,3-dimethylbutanoate",CC(C)(C)[C@@H](C(=O)OC)NC(=O)C1=NN(C2=CC=CC=C21)CCCCCF,"InChI=1S/C20H28FN3O3/c1-20(2,3)17(19(26)27-4)22-18(25)16-14-10-6-7-11-15(14)24(23-16)13-9-5-8-12-21/h6-7,10-11,17H,5,8-9,12-13H2,1-4H3,(H,22,25)/t17-/m1/s1",PWEKNGSNNAKWBL-QGZVFWFLSA-N,C20H28FN3O3,377.5,377.2114699,4.2,73.2,509,0,1,5,10,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"1H-Indazole, 3-amino-5-(trifluoromethyl)-",2250-53-5,16736,5-(trifluoromethyl)-1H-indazol-3-amine,C1=CC2=C(C=C1C(F)(F)F)C(=NN2)N,"InChI=1S/C8H6F3N3/c9-8(10,11)4-1-2-6-5(3-4)7(12)14-13-6/h1-3H,(H3,12,13,14)",ZXZTZRVCWTWKCH-UHFFFAOYSA-N,C8H6F3N3,201.15,201.0513817,2.1,54.7,218,0,2,5,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1H-Indazol-7-amine,21443-96-9,88901,1H-indazol-7-amine,C1=CC2=C(C(=C1)N)NN=C2,"InChI=1S/C7H7N3/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,8H2,(H,9,10)",OTFFCAGPSWJBDK-UHFFFAOYSA-N,C7H7N3,133.15,133.0639972,0.9,54.7,126,0,2,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2'-DEOXY-2',2'-DIFLUOROCYTIDINE",095058-81-4,60750,"4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one",C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F,"InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1",SDUQYLNIPVEERB-QPPQHZFASA-N,C9H11F2N3O4,263.2,263.0717622,-1.5,108,426,0,3,6,2,18,,,0,1,0,1,0,1,1,1,0,0,1,0,0,1,0,0,1,0,1,1
GEMCITABINE HYDROCHLORIDE,122111-03-9,60749,"4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride",C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F.Cl,"InChI=1S/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H/t4-,6-,7-;/m1./s1",OKKDEIYWILRZIA-OSZBKLCCSA-N,C9H12ClF2N3O4,299.66,299.0484399,,108,426,0,4,6,2,19,,,0,1,0,1,0,0,0,1,0,0,1,0,0,1,0,0,1,0,0,0
2'-DEOXYCYTIDINE-5'-MONOPHOSPHORIC ACID,001032-65-1,13945,"[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate",C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O,"InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1",NCMVOABPESMRCP-SHYZEUOFSA-N,C9H14N3O7P,307.2,307.0569368,-3.4,155,502,0,4,7,4,20,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
5-IODO-2'-DEOXYCYTIDINE,000611-53-0,65050,"4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one",C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)I)CO)O,"InChI=1S/C9H12IN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1",WEVJJMPVVFNAHZ-RRKCRQDMSA-N,C9H12IN3O4,353.11,352.98725,-0.7,108,398,0,3,4,2,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-OXIME URIDINE,003258-02-4,197020,"1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one",C1=CN(C(=O)N=C1NO)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,"InChI=1S/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6-,7-,8-/m1/s1",XCUAIINAJCDIPM-XVFCMESISA-N,C9H13N3O6,259.22,259.0804351,-2.2,135,398,0,5,6,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CYTIDINE,000065-46-3,6175,"4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one",C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,"InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1",UHDGCWIWMRVCDJ-XVFCMESISA-N,C9H13N3O5,243.22,243.0855205,-2.1,129,383,0,4,5,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-METHYL-2'-DEOXYCYTIDINE,000838-07-3,440055,"4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one",CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)CO)O,"InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)11)8-2-6(15)7(4-14)17-8/h3,6-8,14-15H,2,4H2,1H3,(H2,11,12,16)/t6-,7+,8+/m0/s1",LUCHPKXVUGJYGU-XLPZGREQSA-N,C10H15N3O4,241.24,241.106256,-1.4,108,393,0,3,4,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CYTIDINE 5'-TRIPHOSPHATE SODIUM TYPE I,081012-87-5,86278254,"disodium;[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate;hydron;dihydrate",[H+].[H+].C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O.O.O.[Na+].[Na+],"InChI=1S/C9H16N3O14P3.2Na.2H2O/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18;;;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18);;;2*1H2/q;2*+1;;/p-2/t4-,6-,7-,8-;;;;/m1..../s1",KNSYTSUGTLJHPS-ODQFIEKDSA-L,C9H18N3Na2O16P3,563.15,562.9695311,,282,826,0,7,16,7,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CYTOSINE B-D-ARABINOFURANOSIDE,000147-94-4,6253,"4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one",C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O,"InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1",UHDGCWIWMRVCDJ-CCXZUQQUSA-N,C9H13N3O5,243.22,243.0855205,-2.1,129,383,0,4,5,2,17,,,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,1,0,0
ZALCITABINE,007481-89-2,24066,"4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one",C1C[C@@H](O[C@@H]1CO)N2C=CC(=NC2=O)N,"InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1",WREGKURFCTUGRC-POYBYMJQSA-N,C9H13N3O3,211.22,211.0956913,-1.3,88.2,327,0,2,3,2,15,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
EIDD-2801,2349386-89-4,145996610,"[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2-methylpropanoate",CC(C)C(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)NO)O)O,"InChI=1S/C13H19N3O7/c1-6(2)12(19)22-5-7-9(17)10(18)11(23-7)16-4-3-8(15-21)14-13(16)20/h3-4,6-7,9-11,17-18,21H,5H2,1-2H3,(H,14,15,20)/t7-,9-,10-,11-/m1/s1",HTNPEHXGEKVIHG-QCNRFFRDSA-N,C13H19N3O7,329.31,329.1223,-0.8,141,534,0,4,7,6,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"Choline, hydroxide, 5'-ester with cytidine 5'-(trihydrogen pyrophosphate), inner salt",987-78-0,13804,"[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 2-(trimethylazaniumyl)ethyl phosphate",C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O,"InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/t9-,11-,12-,13-/m1/s1",RZZPDXZPRHQOCG-OJAKKHQRSA-N,C14H26N4O11P2,488.32,488.1073317,-4,214,821,0,4,11,10,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cytidine, 5-fluoro-",2341-22-2,16861,"4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one",C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)F,"InChI=1S/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1",STRZQWQNZQMHQR-UAKXSSHOSA-N,C9H12FN3O5,261.21,261.0760987,-2.1,129,426,0,4,6,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cytidine, 2'-deoxy-5-fluoro-",10356-76-0,515328,"4-amino-5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one",C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)F)CO)O,"InChI=1S/C9H12FN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1",IDYKCXHJJGMAEV-RRKCRQDMSA-N,C9H12FN3O4,245.21,245.081184,-1.5,108,398,0,3,5,2,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Uridine, 4-hydrazone",57294-74-3,13887579,"1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydrazinylpyrimidin-2-one",C1=CN(C(=O)N=C1NN)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,"InChI=1S/C9H14N4O5/c10-12-5-1-2-13(9(17)11-5)8-7(16)6(15)4(3-14)18-8/h1-2,4,6-8,14-16H,3,10H2,(H,11,12,17)/t4-,6-,7-,8-/m1/s1",RSSRMDMJEZIUJX-XVFCMESISA-N,C9H14N4O5,258.23,258.0964196,-2.5,141,398,0,5,6,3,18,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cytidine, 5'-deoxy-5-fluoro-N-((pentyloxy)carbonyl)-",154361-50-9,60953,"pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate",CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O,"InChI=1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1",GAGWJHPBXLXJQN-UORFTKCHSA-N,C15H22FN3O6,359.35,359.1492636,0.6,121,582,0,3,7,7,25,,,0,0,0,0,0,1,0,1,0,0,1,0,0,1,0,0,1,0,0,0
"Cytidine, 5'-deoxy-5-fluoro-N-((3-methylbutoxy)carbonyl)-",,54201881,"3-methylbutyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate",C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2=O)NC(=O)OCCC(C)C)F)O)O,"InChI=1S/C15H22FN3O6/c1-7(2)4-5-24-15(23)18-12-9(16)6-19(14(22)17-12)13-11(21)10(20)8(3)25-13/h6-8,10-11,13,20-21H,4-5H2,1-3H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1",PPVCPOIDSSQXMR-UORFTKCHSA-N,C15H22FN3O6,359.35,359.1492636,0.5,121,594,0,3,7,6,25,,,1,0,0,0,0,1,1,1,0,0,0,0,0,1,0,0,1,0,0,0
CYTOSINE ARABINOSIDE HYDROCHLORIDE,000069-74-9,6252,"4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride",C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O.Cl,"InChI=1S/C9H13N3O5.ClH/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8;/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16);1H/t4-,6-,7+,8-;/m1./s1",KCURWTAZOZXKSJ-JBMRGDGGSA-N,C9H14ClN3O5,279.68,279.0621982,,129,383,0,5,5,2,18,,,0,0,0,0,0,0,0,1,0,0,1,0,0,1,0,0,0,1,0,0
RHODAMINE B BASE,000509-34-2,62357,"3',6'-bis(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one",CCN(CC)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(CC)CC)C5=CC=CC=C5C(=O)O3,"InChI=1S/C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)32-26-18-20(30(7-3)8-4)14-16-24(26)28(23)22-12-10-9-11-21(22)27(31)33-28/h9-18H,5-8H2,1-4H3",DZNJMLVCIZGWSC-UHFFFAOYSA-N,C28H30N2O3,442.5,442.2256428,5.8,42,655,0,0,5,6,33,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
FLUORESCEIN,002321-07-5,16850,"3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one",C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O,"InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,21-22H",GNBHRKFJIUUOQI-UHFFFAOYSA-N,C20H12O5,332.3,332.0684735,3.4,76,522,0,2,5,0,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
CALCEIN,001461-15-0,65079,"2-[[7'-[[bis(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl-(carboxymethyl)amino]acetic acid",C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C(=C4)CN(CC(=O)O)CC(=O)O)O)OC5=C3C=C(C(=C5)O)CN(CC(=O)O)CC(=O)O,"InChI=1S/C30H26N2O13/c33-21-7-23-19(5-15(21)9-31(11-25(35)36)12-26(37)38)30(18-4-2-1-3-17(18)29(43)45-30)20-6-16(22(34)8-24(20)44-23)10-32(13-27(39)40)14-28(41)42/h1-8,33-34H,9-14H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)",DEGAKNSWVGKMLS-UHFFFAOYSA-N,C30H26N2O13,622.5,622.1434889,-3.1,232,1070,0,6,15,12,45,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3',6'-DICHLOROFLUORAN",000630-88-6,99508,"3',6'-dichlorospiro[2-benzofuran-3,9'-xanthene]-1-one",C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)Cl)OC5=C3C=CC(=C5)Cl,InChI=1S/C20H10Cl2O3/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10H,LNBKJWCRFAZVLK-UHFFFAOYSA-N,C20H10Cl2O3,369.2,368.0006996,5.4,35.5,527,0,0,3,0,25,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2',7'-DICHLOROFLUORESCEIN",000076-54-0,64944,"2',7'-dichloro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one",C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C=C4OC5=CC(=C(C=C35)Cl)O)O)Cl,"InChI=1S/C20H10Cl2O5/c21-13-5-11-17(7-15(13)23)26-18-8-16(24)14(22)6-12(18)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H",VFNKZQNIXUFLBC-UHFFFAOYSA-N,C20H10Cl2O5,401.2,399.9905288,4.7,76,585,0,2,5,0,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ROSE BENGAL,000632-68-8,69439,"4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one",C1=C2C(=C(C(=C1I)O)I)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)I)O)I,"InChI=1S/C20H4Cl4I4O5/c21-9-7-8(10(22)12(24)11(9)23)20(33-19(7)31)3-1-5(25)15(29)13(27)17(3)32-18-4(20)2-6(26)16(30)14(18)28/h1-2,29-30H",IICCLYANAQEHCI-UHFFFAOYSA-N,C20H4Cl4I4O5,973.7,973.4962,8.5,76,780,0,2,5,0,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FLUORESCEINAMINE ISOMER II,051649-83-3,103924,"5-amino-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one",C1=CC2=C(C=C1N)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O,"InChI=1S/C20H13NO5/c21-10-1-4-13-16(7-10)20(26-19(13)24)14-5-2-11(22)8-17(14)25-18-9-12(23)3-6-15(18)20/h1-9,22-23H,21H2",YOAWSYSKQHLFPM-UHFFFAOYSA-N,C20H13NO5,347.3,347.0793725,2.7,102,557,0,3,6,0,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3',6-DIHYDROXY-3-OXO-SPIRO(ISOBENZOFURAN-1(3H),9'-(9H)XANTHENE)-5-CARBOXYLIC ACID",076823-03-5,123755,"3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid",C1=CC2=C(C=C1C(=O)O)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O,"InChI=1S/C21H12O7/c22-11-2-5-15-17(8-11)27-18-9-12(23)3-6-16(18)21(15)14-4-1-10(19(24)25)7-13(14)20(26)28-21/h1-9,22-23H,(H,24,25)",NJYVEMPWNAYQQN-UHFFFAOYSA-N,C21H12O7,376.3,376.0583027,2.9,113,637,0,3,7,1,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
6-CARBOXYFLUORESCEIN DIACETATE,003348-03-6,151095,"3',6'-diacetyloxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid",CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=C(C=CC(=C5)C(=O)O)C(=O)O3,"InChI=1S/C25H16O9/c1-12(26)31-15-4-7-18-21(10-15)33-22-11-16(32-13(2)27)5-8-19(22)25(18)20-9-14(23(28)29)3-6-17(20)24(30)34-25/h3-11H,1-2H3,(H,28,29)",QMOGCCYGOPYYNT-UHFFFAOYSA-N,C25H16O9,460.4,460.0794321,3.2,125,828,0,1,9,5,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
FLUORESCEIN ISOTHIOCYANATE-DEXTRAN,060842-46-8,172909659,"(6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)oxycarbamothioic S-acid",C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)ONC(=O)S,"InChI=1S/C21H13NO6S/c23-11-5-7-15-17(9-11)26-18-10-12(28-22-20(25)29)6-8-16(18)21(15)14-4-2-1-3-13(14)19(24)27-21/h1-10,23H,(H2,22,25,29)",PUQQBNGWUKSTLB-UHFFFAOYSA-N,C21H13NO6S,407.4,407.0463583,3.8,95.1,676,0,3,7,2,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FLUORESCEIN ISOTHIOCYANATE ISOMER I,003326-32-7,18730,"3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one",C1=CC2=C(C=C1N=C=S)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O,"InChI=1S/C21H11NO5S/c23-12-2-5-16-18(8-12)26-19-9-13(24)3-6-17(19)21(16)15-4-1-11(22-10-28)7-14(15)20(25)27-21/h1-9,23-24H",MHMNJMPURVTYEJ-UHFFFAOYSA-N,C21H11NO5S,389.4,389.0357936,4.8,120,668,0,2,7,1,28,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
EOSIN 5-ISOTHIOCYANATE,060520-47-0,173745,"2',4',5',7'-tetrabromo-3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one",C1=CC2=C(C=C1N=C=S)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)Br)O)Br)Br)O)Br,"InChI=1S/C21H7Br4NO5S/c22-12-4-10-18(14(24)16(12)27)30-19-11(5-13(23)17(28)15(19)25)21(10)9-2-1-7(26-6-32)3-8(9)20(29)31-21/h1-5,27-28H",XHXYXYGSUXANME-UHFFFAOYSA-N,C21H7Br4NO5S,705,704.67375,7.6,120,796,0,2,7,1,32,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Fluorescein, 4',5'-dibromo-",596-03-2,11689,"4',5'-dibromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one",C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)Br)OC5=C3C=CC(=C5Br)O,"InChI=1S/C20H10Br2O5/c21-15-13(23)7-5-11-17(15)26-18-12(6-8-14(24)16(18)22)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H",ZDTNHRWWURISAA-UHFFFAOYSA-N,C20H10Br2O5,490.1,489.88745,4.8,76,585,0,2,5,0,27,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Mercury, bis(acetato)(mu-(3',6'-dihydroxy-2',7'-fluorandiyl))di-",3570-80-7,16683084,"acetyloxy-[5'-(acetyloxymercurio)-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-yl]mercury",CC(=O)O[Hg]C1=C(C=CC2=C1OC3=C(C24C5=CC=CC=C5C(=O)O4)C=CC(=C3[Hg]OC(=O)C)O)O,"InChI=1S/C20H10O5.2C2H4O2.2Hg/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20;2*1-2(3)4;;/h1-8,21-22H;2*1H3,(H,3,4);;/q;;;2*+1/p-2",QSZMOZPZBXFCDN-UHFFFAOYSA-L,C24H16Hg2O9,849.6,850.018403,,129,807,0,2,9,6,35,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
EOSIN,015086-94-9,27020,"2',4',5',7'-tetrabromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one",C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)Br)O)Br)Br)O)Br,"InChI=1S/C20H8Br4O5/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20/h1-6,25-26H",DBZJJPROPLPMSN-UHFFFAOYSA-N,C20H8Br4O5,647.9,647.70642,6.2,76,645,0,2,5,0,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
FLUORESCEINAMINE ISOMER I,003326-34-9,76845,"6-amino-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one",C1=CC2=C(C=C1N)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O,"InChI=1S/C20H13NO5/c21-10-1-4-14-13(7-10)19(24)26-20(14)15-5-2-11(22)8-17(15)25-18-9-12(23)3-6-16(18)20/h1-9,22-23H,21H2",GZAJOEGTZDUSKS-UHFFFAOYSA-N,C20H13NO5,347.3,347.0793725,2.7,102,557,0,3,6,0,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-CARBOXYFLUORESCEIN,003301-79-9,76806,"3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid",C1=CC2=C(C=C1C(=O)O)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O,"InChI=1S/C21H12O7/c22-11-2-5-14-17(8-11)27-18-9-12(23)3-6-15(18)21(14)16-7-10(19(24)25)1-4-13(16)20(26)28-21/h1-9,22-23H,(H,24,25)",BZTDTCNHAFUJOG-UHFFFAOYSA-N,C21H12O7,376.3,376.0583027,2.9,113,637,0,3,7,1,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9H-Carbazole-2-acetic acid, 6-chloro-alpha-methyl-, (+-)-",053716-49-7,2581,2-(6-chloro-9H-carbazol-2-yl)propanoic acid,CC(C1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)Cl)C(=O)O,"InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)",PUXBGTOOZJQSKH-UHFFFAOYSA-N,C15H12ClNO2,273.71,273.0556563,4,53.1,362,0,2,2,2,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
9-PROPYL-9H-CARBAZOLE,001484-10-2,289657,9-propylcarbazole,CCCN1C2=CC=CC=C2C3=CC=CC=C31,"InChI=1S/C15H15N/c1-2-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10H,2,11H2,1H3",QAWLNVOLYNXWPL-UHFFFAOYSA-N,C15H15N,209.29,209.1204495,4.2,4.9,216,0,0,0,2,16,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"9H-CARBAZOLE, 9-NITROSO-",002788-23-0,17743,9-nitrosocarbazole,C1=CC=C2C(=C1)C3=CC=CC=C3N2N=O,InChI=1S/C12H8N2O/c15-13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H,XPKSVCWBMBPUPE-UHFFFAOYSA-N,C12H8N2O,196.2,196.0636629,3.1,34.4,234,0,0,2,0,15,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-BUTYLCARBAZOLE,,73872,9-butylcarbazole,CCCCN1C2=CC=CC=C2C3=CC=CC=C31,"InChI=1S/C16H17N/c1-2-3-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h4-11H,2-3,12H2,1H3",SQFONLULGFXJAA-UHFFFAOYSA-N,C16H17N,223.31,223.1360995,4.5,4.9,228,0,0,0,3,17,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"9H-CARBAZOLE, 9-(1-METHYLETHYL)-",001484-09-9,73873,9-propan-2-ylcarbazole,CC(C)N1C2=CC=CC=C2C3=CC=CC=C31,"InChI=1S/C15H15N/c1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-11H,1-2H3",LSZJZNNASZFXKN-UHFFFAOYSA-N,C15H15N,209.29,209.1204495,4,4.9,226,0,0,0,1,16,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propanol, 1-(9H-carbazol-4-yloxy)-3-((1-methylethyl)amino)-",057775-29-8,71739,1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol,CC(C)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O,"InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3",BQXQGZPYHWWCEB-UHFFFAOYSA-N,C18H22N2O2,298.4,298.1681279,3.6,57.3,350,0,3,3,6,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
9-VINYLCARBAZOLE,001484-13-5,15143,9-ethenylcarbazole,C=CN1C2=CC=CC=C2C3=CC=CC=C31,"InChI=1S/C14H11N/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h2-10H,1H2",KKFHAJHLJHVUDM-UHFFFAOYSA-N,C14H11N,193.24,193.0891494,3.9,4.9,226,0,0,0,1,15,,,1,1,0,1,0,0,1,0,0,0,1,0,0,0,0,0,1,1,0,0
N-ETHYLCARBAZOLE,000086-28-2,6836,9-ethylcarbazole,CCN1C2=CC=CC=C2C3=CC=CC=C31,"InChI=1S/C14H13N/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10H,2H2,1H3",PLAZXGNBGZYJSA-UHFFFAOYSA-N,C14H13N,195.26,195.1047994,3.6,4.9,203,0,0,0,1,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXYCARBAZOLE,000086-79-3,93551,9H-carbazol-2-ol,C1=CC=C2C(=C1)C3=C(N2)C=C(C=C3)O,"InChI=1S/C12H9NO/c14-8-5-6-10-9-3-1-2-4-11(9)13-12(10)7-8/h1-7,13-14H",GWPGDZPXOZATKL-UHFFFAOYSA-N,C12H9NO,183.21,183.0684139,3.5,36,218,0,2,1,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-AMINO-9-ETHYLCARBAZOLE,000132-32-1,8588,9-ethylcarbazol-3-amine,CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31,"InChI=1S/C14H14N2/c1-2-16-13-6-4-3-5-11(13)12-9-10(15)7-8-14(12)16/h3-9H,2,15H2,1H3",OXEUETBFKVCRNP-UHFFFAOYSA-N,C14H14N2,210.27,210.1156985,3,31,253,0,1,1,1,16,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9H-Carbazole, 3-nitro-",3077-85-8,76503,3-nitro-9H-carbazole,C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)[N+](=O)[O-],"InChI=1S/C12H8N2O2/c15-14(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h1-7,13H",ZYNHZTIMNJKVLK-UHFFFAOYSA-N,C12H8N2O2,212.2,212.0585775,3.5,61.6,289,0,1,2,0,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"9H-Carbazole-3-methanamine, 9-ethyl-N-methyl-",880813-36-5,4722579,1-(9-ethylcarbazol-3-yl)-N-methylmethanamine,CCN1C2=C(C=C(C=C2)CNC)C3=CC=CC=C31,"InChI=1S/C16H18N2/c1-3-18-15-7-5-4-6-13(15)14-10-12(11-17-2)8-9-16(14)18/h4-10,17H,3,11H2,1-2H3",LBPNOEAFWYTTEB-UHFFFAOYSA-N,C16H18N2,238.33,238.1469986,3,17,278,0,1,1,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9H-Carbazole-9-ethanol, 3-chloro-alpha-((4-methyl-1-piperazinyl)methyl)-, dihydrochloride",,228287,2-carbazol-9-ylethanol,C1=CC=C2C(=C1)C3=CC=CC=C3N2CCO,"InChI=1S/C14H13NO/c16-10-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,16H,9-10H2",IIKVAWLYHHZRGV-UHFFFAOYSA-N,C14H13NO,211.26,211.099714,2.6,25.2,221,0,1,1,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9H-CARBAZOLE, 1,3,6,8-TETRANITRO-",004543-33-3,72755,"1,3,6,8-tetranitro-9H-carbazole",C1=C(C=C(C2=C1C3=C(N2)C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C12H5N5O8/c18-14(19)5-1-7-8-2-6(15(20)21)4-10(17(24)25)12(8)13-11(7)9(3-5)16(22)23/h1-4,13H",JUSWGNJYSBSOFM-UHFFFAOYSA-N,C12H5N5O8,347.2,347.0138121,2.7,199,555,0,1,8,0,25,,,0,1,1,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"9H-CARBAZOLE, 9-ETHYL-3-NITRO-",000086-20-4,66573,9-ethyl-3-nitrocarbazole,CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=CC=C31,"InChI=1S/C14H12N2O2/c1-2-15-13-6-4-3-5-11(13)12-9-10(16(17)18)7-8-14(12)15/h3-9H,2H2,1H3",WONHLSYSHMRRGO-UHFFFAOYSA-N,C14H12N2O2,240.26,240.0898776,3.5,50.8,328,0,0,2,1,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CARBAZOLE,000086-74-8,6854,9H-carbazole,C1=CC=C2C(=C1)C3=CC=CC=C3N2,"InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H",UJOBWOGCFQCDNV-UHFFFAOYSA-N,C12H9N,167.21,167.0734993,3.7,15.8,170,0,1,0,0,13,220.0 °C (428.0 °F) - closed cup,"671 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,1,1,0,0,0,1,0,0,0,0,0,1,0,0,0
"Carbazole, 3-amino-9-ethyl-, hydrochloride",6109-97-3,62130,9-ethylcarbazol-3-amine;hydrochloride,CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31.Cl,"InChI=1S/C14H14N2.ClH/c1-2-16-13-6-4-3-5-11(13)12-9-10(15)7-8-14(12)16;/h3-9H,2,15H2,1H3;1H",UUYSTZWIFZYHRM-UHFFFAOYSA-N,C14H15ClN2,246.73,246.0923762,,31,253,0,2,1,1,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZOIN METHYL ETHER,003524-62-7,98097,"2-methoxy-1,2-diphenylethanone",COC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2,"InChI=1S/C15H14O2/c1-17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,15H,1H3",BQZJOQXSCSZQPS-UHFFFAOYSA-N,C15H14O2,226.27,226.0993797,2.7,26.3,237,0,0,2,4,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANONE, 1-[4-(DIMETHYLAMINO)PHENYL]-2-HYDROXY-2-PHENYL-",006317-85-7,95446,1-[4-(dimethylamino)phenyl]-2-hydroxy-2-phenylethanone,CN(C)C1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)O,"InChI=1S/C16H17NO2/c1-17(2)14-10-8-13(9-11-14)16(19)15(18)12-6-4-3-5-7-12/h3-11,15,18H,1-2H3",SOLBSNQBVLAREX-UHFFFAOYSA-N,C16H17NO2,255.31,255.1259288,2.3,40.5,289,0,1,3,4,19,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 2-CHLORO-1,2-DIPHENYL-",000447-31-4,95343,"2-chloro-1,2-diphenylethanone",C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)Cl,"InChI=1S/C14H11ClO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13H",RXDYOLRABMJTEF-UHFFFAOYSA-N,C14H11ClO,230.69,230.0498427,3.4,17.1,227,0,0,1,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANONE, 2-BROMO-1,2-DIPHENYL-",001484-50-0,102630,"2-bromo-1,2-diphenylethanone",C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)Br,"InChI=1S/C14H11BrO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13H",ZFFBIQMNKOJDJE-UHFFFAOYSA-N,C14H11BrO,275.14,273.99933,3.6,17.1,227,0,0,1,3,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
DESOXYBENZOIN,000451-40-1,9948,"1,2-diphenylethanone",C1=CC=C(C=C1)CC(=O)C2=CC=CC=C2,"InChI=1S/C14H12O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2",OTKCEEWUXHVZQI-UHFFFAOYSA-N,C14H12O,196.24,196.088815,3.2,17.1,197,0,0,1,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZYL 4-HYDROXYPHENYL KETONE,002491-32-9,75607,1-(4-hydroxyphenyl)-2-phenylethanone,C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)O,"InChI=1S/C14H12O2/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9,15H,10H2",JBQTZLNCDIFCCO-UHFFFAOYSA-N,C14H12O2,212.24,212.0837296,2.8,37.3,223,0,1,2,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ANISOIN,000119-52-8,95415,"2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone",COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)O,"InChI=1S/C16H16O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15,17H,1-2H3",LRRQSCPPOIUNGX-UHFFFAOYSA-N,C16H16O4,272.29,272.104859,2.1,55.8,302,0,1,4,5,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZOIN ETHYL ETHER,000574-09-4,101778,"2-ethoxy-1,2-diphenylethanone",CCOC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2,"InChI=1S/C16H16O2/c1-2-18-16(14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12,16H,2H2,1H3",KMNCBSZOIQAUFX-UHFFFAOYSA-N,C16H16O2,240.3,240.1150297,3,26.3,250,0,0,2,5,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
CYFLUMETOFEN,400882-07-7,11496052,2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate,CC(C)(C)C1=CC=C(C=C1)C(C#N)(C(=O)C2=CC=CC=C2C(F)(F)F)C(=O)OCCOC,"InChI=1S/C24H24F3NO4/c1-22(2,3)16-9-11-17(12-10-16)23(15-28,21(30)32-14-13-31-4)20(29)18-7-5-6-8-19(18)24(25,26)27/h5-12H,13-14H2,1-4H3",AWSZRJQNBMEZOI-UHFFFAOYSA-N,C24H24F3NO4,447.4,447.1657427,5.5,76.4,713,0,0,8,9,32,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0
BENZOIN,000119-53-9,8400,"2-hydroxy-1,2-diphenylethanone",C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O,"InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H",ISAOCJYIOMOJEB-UHFFFAOYSA-N,C14H12O2,212.24,212.0837296,2.1,37.3,225,0,1,2,3,16,,"651 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanone, 2-phenyl-1-(2,4,6-trihydroxyphenyl)-",727-71-9,689111,"2-phenyl-1-(2,4,6-trihydroxyphenyl)ethanone",C1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2O)O)O,"InChI=1S/C14H12O4/c15-10-7-12(17)14(13(18)8-10)11(16)6-9-4-2-1-3-5-9/h1-5,7-8,15,17-18H,6H2",SLHBRIIHMDJIBT-UHFFFAOYSA-N,C14H12O4,244.24,244.0735589,2.7,77.8,274,0,3,4,3,18,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Acetonitrile, benzoylphenyl-",7/6/15,21522,"3-oxo-2,3-diphenylpropanenitrile",C1=CC=C(C=C1)C(C#N)C(=O)C2=CC=CC=C2,"InChI=1S/C15H11NO/c16-11-14(12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h1-10,14H",JATZBKSNYZHCOC-UHFFFAOYSA-N,C15H11NO,221.25,221.084064,2.7,40.9,302,0,0,2,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-Propanone, 1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-",21255-69-6,89472,"1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propan-1-one",CC(C1=CC=C(C=C1)O)C(=O)C2=C(C=C(C=C2)O)O,"InChI=1S/C15H14O4/c1-9(10-2-4-11(16)5-3-10)15(19)13-7-6-12(17)8-14(13)18/h2-9,16-18H,1H3",JDJPNKPFDDUBFV-UHFFFAOYSA-N,C15H14O4,258.27,258.0892089,3.3,77.8,309,0,3,4,3,19,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2-phenylacetyl-",33148-55-9,36343,2-(2-phenylacetyl)benzoic acid,C1=CC=C(C=C1)CC(=O)C2=CC=CC=C2C(=O)O,"InChI=1S/C15H12O3/c16-14(10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)15(17)18/h1-9H,10H2,(H,17,18)",NJXDTGLUPRKMFN-UHFFFAOYSA-N,C15H12O3,240.25,240.0786442,2.4,54.4,305,0,1,3,4,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,2-DIMETHOXY-2-PHENYLACETOPHENONE",024650-42-8,90571,"2,2-dimethoxy-1,2-diphenylethanone",COC(C1=CC=CC=C1)(C(=O)C2=CC=CC=C2)OC,"InChI=1S/C16H16O3/c1-18-16(19-2,14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12H,1-2H3",KWVGIHKZDCUPEU-UHFFFAOYSA-N,C16H16O3,256.3,256.1099444,3,35.5,284,0,0,3,5,19,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Ethanone, 1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)-",487-49-0,259632,"1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone",COC1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2)O)O,"InChI=1S/C15H14O4/c1-19-12-5-2-10(3-6-12)8-14(17)13-7-4-11(16)9-15(13)18/h2-7,9,16,18H,8H2,1H3",XHBZOAYMBBUURD-UHFFFAOYSA-N,C15H14O4,258.27,258.0892089,3.2,66.8,297,0,2,4,4,19,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetophenone, 2-amino-2-phenyl-, hydrochloride",885-75-6,12306985,"2-amino-1,2-diphenylethanone;hydrochloride",C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)N.Cl,"InChI=1S/C14H13NO.ClH/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;/h1-10,13H,15H2;1H",LZQSVRYXONEYIT-UHFFFAOYSA-N,C14H14ClNO,247.72,247.0763918,,43.1,227,0,2,2,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(DIPHENYLPHOSPHINO)STYRENE,040538-11-2,11437688,(4-ethenylphenyl)-diphenylphosphane,C=CC1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C20H17P/c1-2-17-13-15-20(16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h2-16H,1H2",FRPLKHQCXVNBNO-UHFFFAOYSA-N,C20H17P,288.3,288.1067875,5.4,0,286,0,0,0,4,21,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIPHENYLPHOSPHINE,000603-35-0,11776,triphenylphosphane,C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3,InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,RIOQSEWOXXDEQQ-UHFFFAOYSA-N,C18H15P,262.3,262.0911375,4.6,0,202,0,0,0,3,19,"356 °F (NTP, 1992)","greater than 680 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,1,0
DIBROMOTRIPHENYLPHOSPHORANE,001034-39-5,70579,dibromo(triphenyl)-lambda5-phosphane,C1=CC=C(C=C1)P(C2=CC=CC=C2)(C3=CC=CC=C3)(Br)Br,"InChI=1S/C18H15Br2P/c19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",OCXGTPDKNBIOTF-UHFFFAOYSA-N,C18H15Br2P,422.1,421.92576,6.5,0,285,0,0,0,3,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
BIS(PENTAFLUOROPHENYL)PHENYLPHOSPHINE,005074-71-5,78757,"bis(2,3,4,5,6-pentafluorophenyl)-phenylphosphane",C1=CC=C(C=C1)P(C2=C(C(=C(C(=C2F)F)F)F)F)C3=C(C(=C(C(=C3F)F)F)F)F,InChI=1S/C18H5F10P/c19-7-9(21)13(25)17(14(26)10(7)22)29(6-4-2-1-3-5-6)18-15(27)11(23)8(20)12(24)16(18)28/h1-5H,OYNXPGGNQMSMTR-UHFFFAOYSA-N,C18H5F10P,442.2,441.9969188,5.6,0,479,0,0,10,3,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TRIS(2,6-DIMETHOXYPHENYL)PHOSPHINE",085417-41-0,2734597,"tris(2,6-dimethoxyphenyl)phosphane",COC1=C(C(=CC=C1)OC)P(C2=C(C=CC=C2OC)OC)C3=C(C=CC=C3OC)OC,"InChI=1S/C24H27O6P/c1-25-16-10-7-11-17(26-2)22(16)31(23-18(27-3)12-8-13-19(23)28-4)24-20(29-5)14-9-15-21(24)30-6/h7-15H,1-6H3",CMLWFCUAXGSMBB-UHFFFAOYSA-N,C24H27O6P,442.4,442.1545256,4.4,55.4,415,0,0,6,9,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TRIS(2,4,6-TRIMETHOXYPHENYL)PHOSPHINE",091608-15-0,522987,"tris(2,4,6-trimethoxyphenyl)phosphane",COC1=CC(=C(C(=C1)OC)P(C2=C(C=C(C=C2OC)OC)OC)C3=C(C=C(C=C3OC)OC)OC)OC,"InChI=1S/C27H33O9P/c1-28-16-10-19(31-4)25(20(11-16)32-5)37(26-21(33-6)12-17(29-2)13-22(26)34-7)27-23(35-8)14-18(30-3)15-24(27)36-9/h10-15H,1-9H3",JQKHNBQZGUKYPX-UHFFFAOYSA-N,C27H33O9P,532.5,532.1862196,4.3,83.1,530,0,0,9,12,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(DIPHENYLPHOSPHINO)BENZOIC ACID,002129-31-9,627824,4-diphenylphosphanylbenzoic acid,C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O,"InChI=1S/C19H15O2P/c20-19(21)15-11-13-18(14-12-15)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,(H,20,21)",GXMHDTPYKRTARV-UHFFFAOYSA-N,C19H15O2P,306.3,306.0809667,5.1,37.3,332,0,1,2,4,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIS(PENTAFLUOROPHENYL)PHOSPHINE,001259-35-4,102076,"tris(2,3,4,5,6-pentafluorophenyl)phosphane",C1(=C(C(=C(C(=C1F)F)P(C2=C(C(=C(C(=C2F)F)F)F)F)C3=C(C(=C(C(=C3F)F)F)F)F)F)F)F,InChI=1S/C18F15P/c19-1-4(22)10(28)16(11(29)5(1)23)34(17-12(30)6(24)2(20)7(25)13(17)31)18-14(32)8(26)3(21)9(27)15(18)33,FQLSDFNKTNBQLC-UHFFFAOYSA-N,C18F15P,532.1,531.9498094,6.1,0,566,0,0,15,3,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIPHENYLPHOSPHINEGOLD(I) TRIFLUOROMETHANESULFONATE,156397-47-6,15367309,gold(1+);trifluoromethanesulfonate;triphenylphosphane,C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-].[Au+],"InChI=1S/C18H15P.CHF3O3S.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)8(5,6)7;/h1-15H;(H,5,6,7);/q;;+1/p-1",PKNGCXGJNWEWTH-UHFFFAOYSA-M,C19H15AuF3O3PS,608.3,608.009732,,65.6,346,0,0,6,3,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHINE, TRIS(4-METHYLPHENYL)-",001038-95-5,13956,tris(4-methylphenyl)phosphane,CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C,"InChI=1S/C21H21P/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3",WXAZIUYTQHYBFW-UHFFFAOYSA-N,C21H21P,304.4,304.1380877,5.7,0,262,0,0,0,3,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CHLORO(TRIPHENYLPHOSPHINE)GOLD,014243-64-2,10874691,chlorogold;triphenylphosphane,C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Au],InChI=1S/C18H15P.Au.ClH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h1-15H;;1H/q;+1;/p-1,IFPWCRBNZXUWGC-UHFFFAOYSA-M,C18H15AuClP,494.7,494.02656,,0,204,0,0,0,3,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHINE, TRIS(3,5-DIMETHYLPHENYL)-",069227-47-0,112263,"tris(3,5-dimethylphenyl)phosphane",CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C3=CC(=CC(=C3)C)C)C,"InChI=1S/C24H27P/c1-16-7-17(2)11-22(10-16)25(23-12-18(3)8-19(4)13-23)24-14-20(5)9-21(6)15-24/h7-15H,1-6H3",XRALRSQLQXKXKP-UHFFFAOYSA-N,C24H27P,346.4,346.1850379,6.8,0,327,0,0,0,3,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BIS(P-SULFONATOPHENYL)PHENYLPHOSPHINE DIHYDRATE DIPOTASSIUM SALT,308103-66-4,17749163,dipotassium;4-[phenyl-(4-sulfonatophenyl)phosphanyl]benzenesulfonate;dihydrate,C1=CC=C(C=C1)P(C2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].O.O.[K+].[K+],"InChI=1S/C18H15O6PS2.2K.2H2O/c19-26(20,21)17-10-6-15(7-11-17)25(14-4-2-1-3-5-14)16-8-12-18(13-9-16)27(22,23)24;;;;/h1-13H,(H,19,20,21)(H,22,23,24);;;2*1H2/q;2*+1;;/p-2",CVKCKLNGVYHFAX-UHFFFAOYSA-L,C18H17K2O8PS2,534.6,533.9376598,,133,596,0,2,8,3,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHINE, TRIS(4-METHOXYPHENYL)-",000855-38-9,70071,tris(4-methoxyphenyl)phosphane,COC1=CC=C(C=C1)P(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC,"InChI=1S/C21H21O3P/c1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21/h4-15H,1-3H3",UYUUAUOYLFIRJG-UHFFFAOYSA-N,C21H21O3P,352.4,352.1228315,4.5,27.7,310,0,0,3,6,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-(DIPHENYLPHOSPHINO)-",017261-28-8,87021,2-diphenylphosphanylbenzoic acid,C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C(=O)O,"InChI=1S/C19H15O2P/c20-19(21)17-13-7-8-14-18(17)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,20,21)",UYRPRYSDOVYCOU-UHFFFAOYSA-N,C19H15O2P,306.3,306.0809667,4.1,37.3,340,0,1,2,4,22,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphorane, diiodotriphenyl-",7/2/96,201622,diiodo(triphenyl)-lambda5-phosphane,C1=CC=C(C=C1)P(C2=CC=CC=C2)(C3=CC=CC=C3)(I)I,"InChI=1S/C18H15I2P/c19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",NSWZEXJQHIXCFL-UHFFFAOYSA-N,C18H15I2P,516.1,515.90008,6.3,0,285,0,0,0,3,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,1,1,0,0
"Oxirane, 2-(3,5-dichlorophenyl)-2-(2,2,2-trichloroethyl)-",058138-08-2,73669,"2-(3,5-dichlorophenyl)-2-(2,2,2-trichloroethyl)oxirane",C1C(O1)(CC(Cl)(Cl)Cl)C2=CC(=CC(=C2)Cl)Cl,"InChI=1S/C10H7Cl5O/c11-7-1-6(2-8(12)3-7)9(5-16-9)4-10(13,14)15/h1-3H,4-5H2",IBZHOAONZVJLOB-UHFFFAOYSA-N,C10H7Cl5O,320.4,319.891003,4.7,12.5,256,0,0,1,2,16,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
(S)-(-)-STYRENE OXIDE,020780-54-5,114946,(2S)-2-phenyloxirane,C1[C@@H](O1)C2=CC=CC=C2,"InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2/t8-/m1/s1",AWMVMTVKBNGEAK-MRVPVSSYSA-N,C8H8O,120.15,120.0575149,1.6,12.5,94,0,0,1,1,9,,,0,1,1,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,0
STYRENE OXIDE,000096-09-3,7276,2-phenyloxirane,C1C(O1)C2=CC=CC=C2,"InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2",AWMVMTVKBNGEAK-UHFFFAOYSA-N,C8H8O,120.15,120.0575149,1.6,12.5,94,0,0,1,1,9,"175 °F (NTP, 1992)","381 °F at 760 mmHg (NTP, 1992)",0,1,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0
3-METHYL-3-PHENYLOXIRANECARBOXYLIC ACID ETHYL ESTER,000077-83-8,6501,ethyl 3-methyl-3-phenyloxirane-2-carboxylate,CCOC(=O)C1C(O1)(C)C2=CC=CC=C2,"InChI=1S/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3",LQKRYVGRPXFFAV-UHFFFAOYSA-N,C12H14O3,206.24,206.0942943,1.9,38.8,245,0,0,3,4,15,"greater than 200 °F (NTP, 1992)","522 to 527 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"OXIRANECARBOXYLIC ACID, 3-(4-METHOXYPHENYL)-, METHYL ESTER",042245-42-1,92325,methyl 3-(4-methoxyphenyl)oxirane-2-carboxylate,COC1=CC=C(C=C1)C2C(O2)C(=O)OC,"InChI=1S/C11H12O4/c1-13-8-5-3-7(4-6-8)9-10(15-9)11(12)14-2/h3-6,9-10H,1-2H3",CVZUMGUZDAWOGA-UHFFFAOYSA-N,C11H12O4,208.21,208.0735589,1.3,48.1,233,0,0,4,4,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"Toluene, m-(epoxyethyl)-",20697-03-4,152312,2-(3-methylphenyl)oxirane,CC1=CC(=CC=C1)C2CO2,"InChI=1S/C9H10O/c1-7-3-2-4-8(5-7)9-6-10-9/h2-5,9H,6H2,1H3",HLGUPCNLTKMZDU-UHFFFAOYSA-N,C9H10O,134.17,134.0731649,2,12.5,122,0,0,1,1,10,,,0,1,0,1,0,1,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"Benzene, 1-chloro-3-(epoxyethyl)-",20697-04-5,155613,2-(3-chlorophenyl)oxirane,C1C(O1)C2=CC(=CC=C2)Cl,"InChI=1S/C8H7ClO/c9-7-3-1-2-6(4-7)8-5-10-8/h1-4,8H,5H2",YVMKRPGFBQGEBF-UHFFFAOYSA-N,C8H7ClO,154.59,154.0185425,2,12.5,126,0,0,1,1,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,1
"Benzene, (1,2-epoxypropyl)-, trans-",23355-97-7,119448,"(2S,3S)-2-methyl-3-phenyloxirane",C[C@H]1[C@@H](O1)C2=CC=CC=C2,"InChI=1S/C9H10O/c1-7-9(10-7)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-,9+/m0/s1",YVCOJTATJWDGEU-IONNQARKSA-N,C9H10O,134.17,134.0731649,1.8,12.5,116,0,0,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 1-bromo-3-(epoxyethyl)-",28022-44-8,147193,2-(3-bromophenyl)oxirane,C1C(O1)C2=CC(=CC=C2)Br,"InChI=1S/C8H7BrO/c9-7-3-1-2-6(4-7)8-5-10-8/h1-4,8H,5H2",YUPLJNGZNHMXGM-UHFFFAOYSA-N,C8H7BrO,199.04,197.96803,2.1,12.5,126,0,0,1,1,10,,,0,0,0,1,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0
"Benzene, 1-bromo-4-(epoxyethyl)-",32017-76-8,119460,2-(4-bromophenyl)oxirane,C1C(O1)C2=CC=C(C=C2)Br,"InChI=1S/C8H7BrO/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8H,5H2",NNINSLOEPXEZOZ-UHFFFAOYSA-N,C8H7BrO,199.04,197.96803,2.3,12.5,118,0,0,1,1,10,,,0,0,0,1,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0
"Benzonitrile, 4-oxiranyl-",52695-39-3,40494,4-(oxiran-2-yl)benzonitrile,C1C(O1)C2=CC=C(C=C2)C#N,"InChI=1S/C9H7NO/c10-5-7-1-3-8(4-2-7)9-6-11-9/h1-4,9H,6H2",WLNIRLBZLAAEAQ-UHFFFAOYSA-N,C9H7NO,145.16,145.0527638,1.3,36.3,185,0,0,2,1,11,,,0,1,1,1,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"Oxiranemethanol, 3-phenyl-, (2S-trans)-",104196-23-8,149229,"[(2S,3S)-3-phenyloxiran-2-yl]methanol",C1=CC=C(C=C1)[C@H]2[C@@H](O2)CO,"InChI=1S/C9H10O2/c10-6-8-9(11-8)7-4-2-1-3-5-7/h1-5,8-10H,6H2/t8-,9-/m0/s1",PVALSANGMFRTQM-IUCAKERBSA-N,C9H10O2,150.17,150.0680796,0.8,32.8,130,0,1,2,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(R)-(+)-STYRENE OXIDE,020780-53-4,114705,(2R)-2-phenyloxirane,C1[C@H](O1)C2=CC=CC=C2,"InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2/t8-/m0/s1",AWMVMTVKBNGEAK-QMMMGPOBSA-N,C8H8O,120.15,120.0575149,1.6,12.5,94,0,0,1,1,9,,,0,1,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzene, (1,2-epoxypropyl)-, (1R,2R)-",14212-54-5,10953562,"(2R,3R)-2-methyl-3-phenyloxirane",C[C@@H]1[C@H](O1)C2=CC=CC=C2,"InChI=1S/C9H10O/c1-7-9(10-7)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-,9+/m1/s1",YVCOJTATJWDGEU-APPZFPTMSA-N,C9H10O,134.17,134.0731649,1.8,12.5,116,0,0,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIOXANE",000505-22-6,10450,"1,3-dioxane",C1COCOC1,InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2,VDFVNEFVBPFDSB-UHFFFAOYSA-N,C4H8O2,88.11,88.05242949,-0.2,18.5,32,0,0,2,0,6,"35.6 °F (NTP, 1992)","221 °F at 755 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"m-Dioxane, 4,4-dimethyl-",000766-15-4,13008,"4,4-dimethyl-1,3-dioxane",CC1(CCOCO1)C,"InChI=1S/C6H12O2/c1-6(2)3-4-7-5-8-6/h3-5H2,1-2H3",GDKSTFXHMBGCPG-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,0.8,18.5,78,0,0,2,0,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIOXANE, 5,5-DIMETHYL-4-(1-METHYLETHYL)-",003583-00-4,96021,"5,5-dimethyl-4-propan-2-yl-1,3-dioxane",CC(C)C1C(COCO1)(C)C,"InChI=1S/C9H18O2/c1-7(2)8-9(3,4)5-10-6-11-8/h7-8H,5-6H2,1-4H3",KBYHWUXTLMRZHL-UHFFFAOYSA-N,C9H18O2,158.24,158.1306798,2.4,18.5,130,0,0,2,1,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"5-BROMO-5-NITRO-1,3-DIOXANE",030007-47-7,1807,"5-bromo-5-nitro-1,3-dioxane",C1C(COCO1)([N+](=O)[O-])Br,InChI=1S/C4H6BrNO4/c5-4(6(7)8)1-9-3-10-2-4/h1-3H2,XVBRCOKDZVQYAY-UHFFFAOYSA-N,C4H6BrNO4,212,210.94802,0.3,64.3,139,0,0,4,0,10,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,0
"1,3-DIOXANE, 2,2,5,5-TETRAMETHYL-4-(1-METHYLETHYL)-",061920-45-4,112457,"2,2,5,5-tetramethyl-4-propan-2-yl-1,3-dioxane",CC(C)C1C(COC(O1)(C)C)(C)C,"InChI=1S/C11H22O2/c1-8(2)9-10(3,4)7-12-11(5,6)13-9/h8-9H,7H2,1-6H3",WVYKHQRCBWWGFK-UHFFFAOYSA-N,C11H22O2,186.29,186.1619799,3,18.5,183,0,0,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"2-(2-BROMOETHYL)-1,3-DIOXANE",033884-43-4,520656,"2-(2-bromoethyl)-1,3-dioxane",C1COC(OC1)CCBr,"InChI=1S/C6H11BrO2/c7-3-2-6-8-4-1-5-9-6/h6H,1-5H2",WMDHQEHPOVOEOG-UHFFFAOYSA-N,C6H11BrO2,195.05,193.99424,1.3,18.5,71,0,0,2,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIOXANE, 5-METHYL-2-(1-METHYLBUTYL)-5-PROPYL-",080480-24-6,166523,"5-methyl-2-pentan-2-yl-5-propyl-1,3-dioxane",CCCC(C)C1OCC(CO1)(C)CCC,"InChI=1S/C13H26O2/c1-5-7-11(3)12-14-9-13(4,8-6-2)10-15-12/h11-12H,5-10H2,1-4H3",LODLFUCEWWWXPR-UHFFFAOYSA-N,C13H26O2,214.34,214.1932801,4.2,18.5,171,0,0,2,5,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, [2-[1,1-DIMETHYL-2-[(1-OXO-2-PROPENYL)-OXY]ETHYL]-5-ETHYL-1,",087320-05-6,174625,"[5-ethyl-2-(2-methyl-1-prop-2-enoyloxypropan-2-yl)-1,3-dioxan-5-yl]methyl prop-2-enoate",CCC1(COC(OC1)C(C)(C)COC(=O)C=C)COC(=O)C=C,"InChI=1S/C17H26O6/c1-6-13(18)20-9-16(4,5)15-22-11-17(8-3,12-23-15)10-21-14(19)7-2/h6-7,15H,1-2,8-12H2,3-5H3",YNTQTLGBCMXNFX-UHFFFAOYSA-N,C17H26O6,326.4,326.1729385,3,71.1,446,0,0,6,10,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIOXANE, 4,4,6-TRIMETHYL-2-PENTYL-",063449-89-8,95613,"4,4,6-trimethyl-2-pentyl-1,3-dioxane",CCCCCC1OC(CC(O1)(C)C)C,"InChI=1S/C12H24O2/c1-5-6-7-8-11-13-10(2)9-12(3,4)14-11/h10-11H,5-9H2,1-4H3",PDQBOBGVXLUMTJ-UHFFFAOYSA-N,C12H24O2,200.32,200.17763,3.6,18.5,166,0,0,2,4,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,3-DIOXANE-5-METHANOL, 5-ETHYL-",005187-23-5,78860,"(5-ethyl-1,3-dioxan-5-yl)methanol",CCC1(COCOC1)CO,"InChI=1S/C7H14O3/c1-2-7(3-8)4-9-6-10-5-7/h8H,2-6H2,1H3",BGFBWRWYROQISE-UHFFFAOYSA-N,C7H14O3,146.18,146.0942943,0.1,38.7,97,0,1,3,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Dioxane, 2,4-dimethyl-",766-20-1,13009,"2,4-dimethyl-1,3-dioxane",CC1CCOC(O1)C,"InChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3",VREPYGYMOSZTKJ-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,1,18.5,72,0,0,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Dioxane, 4-methyl-",1120-97-4,14269,"4-methyl-1,3-dioxane",CC1CCOCO1,"InChI=1S/C5H10O2/c1-5-2-3-6-4-7-5/h5H,2-4H2,1H3",INCCMBMMWVKEGJ-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,0.6,18.5,54,0,0,2,0,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"m-Dioxane-5-methanol, 5-methyl-",1121-97-7,14278,"(5-methyl-1,3-dioxan-5-yl)methanol",CC1(COCOC1)CO,"InChI=1S/C6H12O3/c1-6(2-7)3-8-5-9-4-6/h7H,2-5H2,1H3",XZDDZTGNCUMJHI-UHFFFAOYSA-N,C6H12O3,132.16,132.0786442,-0.2,38.7,86,0,1,3,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Dioxane, 4,4,6-trimethyl-2-vinyl-",22634-89-5,31448,"2-ethenyl-4,4,6-trimethyl-1,3-dioxane",CC1CC(OC(O1)C=C)(C)C,"InChI=1S/C9H16O2/c1-5-8-10-7(2)6-9(3,4)11-8/h5,7-8H,1,6H2,2-4H3",XLVQNXPLYGVRKU-UHFFFAOYSA-N,C9H16O2,156.22,156.1150297,1.9,18.5,152,0,0,2,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIOXAN-4-OL, 2,6-DIMETHYL-, ACETATE",000828-00-2,13232,"(2,6-dimethyl-1,3-dioxan-4-yl) acetate",CC1CC(OC(O1)C)OC(=O)C,"InChI=1S/C8H14O4/c1-5-4-8(11-6(2)9)12-7(3)10-5/h5,7-8H,4H2,1-3H3",PHMNXPYGVPEQSJ-UHFFFAOYSA-N,C8H14O4,174.19,174.0892089,1.1,44.8,168,0,0,4,2,12,"142 °F (NTP, 1992)","367 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,1,0,1,1,0,0,0,0,0,0,0,1,1,0,1
"1,3-DIOXANE, 2-BUTYL-4,4,6-TRIMETHYL-",054546-26-8,94569,"2-butyl-4,4,6-trimethyl-1,3-dioxane",CCCCC1OC(CC(O1)(C)C)C,"InChI=1S/C11H22O2/c1-5-6-7-10-12-9(2)8-11(3,4)13-10/h9-10H,5-8H2,1-4H3",QUBNQDBPPTZYJL-UHFFFAOYSA-N,C11H22O2,186.29,186.1619799,3.1,18.5,154,0,0,2,3,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
PENTOBARBITAL,000076-74-4,4737,"5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione",CCCC(C)C1(C(=O)NC(=O)NC1=O)CC,"InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)",WEXRUCMBJFQVBZ-UHFFFAOYSA-N,C11H18N2O3,226.27,226.1317424,2.1,75.3,305,0,2,3,4,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
BUTOBARBITAL,000077-28-1,6473,"5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione",CCCCC1(C(=O)NC(=O)NC1=O)CC,"InChI=1S/C10H16N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15)",STDBAQMTJLUMFW-UHFFFAOYSA-N,C10H16N2O3,212.25,212.1160924,1.7,75.3,279,0,2,3,4,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TALBUTAL (LOTUSATE),000115-44-6,8275,"5-butan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione",CCC(C)C1(C(=O)NC(=O)NC1=O)CC=C,"InChI=1S/C11H16N2O3/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)",BJVVMKUXKQHWJK-UHFFFAOYSA-N,C11H16N2O3,224.26,224.1160924,1.4,75.3,329,0,2,3,4,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
METHOHEXITAL (BREVITAL),000151-83-7,9034,"5-hex-3-yn-2-yl-1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione",CCC#CC(C)C1(C(=O)NC(=O)N(C1=O)C)CC=C,"InChI=1S/C14H18N2O3/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19)",NZXKDOXHBHYTKP-UHFFFAOYSA-N,C14H18N2O3,262.3,262.1317424,2.3,66.5,497,0,1,3,3,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BUTABARBITAL FREE ACID (BUTABARBITAL),000125-40-6,2479,"5-butan-2-yl-5-ethyl-1,3-diazinane-2,4,6-trione",CCC(C)C1(C(=O)NC(=O)NC1=O)CC,"InChI=1S/C10H16N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)",ZRIHAIZYIMGOAB-UHFFFAOYSA-N,C10H16N2O3,212.25,212.1160924,1.6,75.3,292,0,2,3,3,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ALLOBARBITAL,000052-43-7,5842,"5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione",C=CCC1(C(=O)NC(=O)NC1=O)CC=C,"InChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)",FDQGNLOWMMVRQL-UHFFFAOYSA-N,C10H12N2O3,208.21,208.0847923,1,75.3,315,0,2,3,4,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
APROBARBITAL,000077-02-1,6464,"5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione",CC(C)C1(C(=O)NC(=O)NC1=O)CC=C,"InChI=1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15)",UORJNBVJVRLXMQ-UHFFFAOYSA-N,C10H14N2O3,210.23,210.1004423,1.1,75.3,314,0,2,3,3,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-DIMETHYLBARBITURIC ACID",000769-42-6,69860,"1,3-dimethyl-1,3-diazinane-2,4,6-trione",CN1C(=O)CC(=O)N(C1=O)C,"InChI=1S/C6H8N2O3/c1-7-4(9)3-5(10)8(2)6(7)11/h3H2,1-2H3",VVSASNKOFCZVES-UHFFFAOYSA-N,C6H8N2O3,156.14,156.0534921,-0.8,57.7,214,0,0,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
BARBITAL,000057-44-3,2294,"5,5-diethyl-1,3-diazinane-2,4,6-trione",CCC1(C(=O)NC(=O)NC1=O)CC,"InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)",FTOAOBMCPZCFFF-UHFFFAOYSA-N,C8H12N2O3,184.19,184.0847923,0.6,75.3,247,0,2,3,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BUTALBITAL (FIORINAL, BUTALBITAL WITH ASPIRIN)",000077-26-9,2481,"5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione",CC(C)CC1(C(=O)NC(=O)NC1=O)CC=C,"InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)",UZVHFVZFNXBMQJ-UHFFFAOYSA-N,C11H16N2O3,224.26,224.1160924,1.7,75.3,327,0,2,3,4,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-BUTYL-",001953-33-9,74771,"5-butyl-1,3-diazinane-2,4,6-trione",CCCCC1C(=O)NC(=O)NC1=O,"InChI=1S/C8H12N2O3/c1-2-3-4-5-6(11)9-8(13)10-7(5)12/h5H,2-4H2,1H3,(H2,9,10,11,12,13)",HTKIZIQFMHVTRJ-UHFFFAOYSA-N,C8H12N2O3,184.19,184.0847923,0.8,75.3,230,0,2,3,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-AMINO-",000118-78-5,67051,"5-amino-1,3-diazinane-2,4,6-trione",C1(C(=O)NC(=O)NC1=O)N,"InChI=1S/C4H5N3O3/c5-1-2(8)6-4(10)7-3(1)9/h1H,5H2,(H2,6,7,8,9,10)",PSQZLWHRJMYZHD-UHFFFAOYSA-N,C4H5N3O3,143.1,143.033091,-2.1,101,192,0,3,4,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-NITRO-",000480-68-2,10195,"5-nitro-1,3-diazinane-2,4,6-trione",C1(C(=O)NC(=O)NC1=O)[N+](=O)[O-],"InChI=1S/C4H3N3O5/c8-2-1(7(11)12)3(9)6-4(10)5-2/h1H,(H2,5,6,8,9,10)",ABICJYZKIYUWEE-UHFFFAOYSA-N,C4H3N3O5,173.08,173.0072702,-1.1,121,259,0,2,5,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Barbituric acid, 5,5-diethyl-1-methyl-",50-11-3,4099,"5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione",CCC1(C(=O)NC(=O)N(C1=O)C)CC,"InChI=1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14)",FWJKNZONDWOGMI-UHFFFAOYSA-N,C9H14N2O3,198.22,198.1004423,1.2,66.5,294,0,1,3,2,14,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4,5,6(1H,3H)-Pyrimidinetetrone, tetrahydrate",6010-91-9,71444754,"5,5-dihydroxy-1,3-diazinane-2,4,6-trione;trihydrate",C1(=O)C(C(=O)NC(=O)N1)(O)O.O.O.O,"InChI=1S/C4H4N2O5.3H2O/c7-1-4(10,11)2(8)6-3(9)5-1;;;/h10-11H,(H2,5,6,7,8,9);3*1H2",PBPLAJFENFYAFN-UHFFFAOYSA-N,C4H10N2O8,214.13,214.0437153,,119,223,0,7,8,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMOBARBITAL,000057-43-2,2164,"5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione",CCC1(C(=O)NC(=O)NC1=O)CCC(C)C,"InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)",VIROVYVQCGLCII-UHFFFAOYSA-N,C11H18N2O3,226.27,226.1317424,2.1,75.3,303,0,2,3,4,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,3,4-TETRAHYDROQUINALDINE",001780-19-4,96289,"2-methyl-1,2,3,4-tetrahydroquinoline",CC1CCC2=CC=CC=C2N1,"InChI=1S/C10H13N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-5,8,11H,6-7H2,1H3",JZICUKPOZUKZLL-UHFFFAOYSA-N,C10H13N,147.22,147.1047994,2.7,12,133,0,1,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"8-METHYL-1,2,3,4-TETRAHYDROQUINOLINE",052601-70-4,2774166,"8-methyl-1,2,3,4-tetrahydroquinoline",CC1=C2C(=CC=C1)CCCN2,"InChI=1S/C10H13N/c1-8-4-2-5-9-6-3-7-11-10(8)9/h2,4-5,11H,3,6-7H2,1H3",YIIPMCFBCZKCFB-UHFFFAOYSA-N,C10H13N,147.22,147.1047994,2.7,12,133,0,1,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"QUINOLINE, 1,2,3,4-TETRAHYDRO-2,2,4-TRIMETHYL-",004497-58-9,107292,"2,2,4-trimethyl-3,4-dihydro-1H-quinoline",CC1CC(NC2=CC=CC=C12)(C)C,"InChI=1S/C12H17N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-7,9,13H,8H2,1-3H3",KSNRDYQOHXQKAB-UHFFFAOYSA-N,C12H17N,175.27,175.1360995,3.2,12,186,0,1,1,0,13,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,3,4-TETRAHYDROQUINOLINE",000635-46-1,69460,"1,2,3,4-tetrahydroquinoline",C1CC2=CC=CC=C2NC1,"InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6,10H,3,5,7H2",LBUJPTNKIBCYBY-UHFFFAOYSA-N,C9H11N,133.19,133.0891494,2.3,12,111,0,1,1,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"QUINOLINE, 1,2,3,4-TETRAHYDRO-6-METHOXY-",000120-15-0,67113,"6-methoxy-1,2,3,4-tetrahydroquinoline",COC1=CC2=C(C=C1)NCCC2,"InChI=1S/C10H13NO/c1-12-9-4-5-10-8(7-9)3-2-6-11-10/h4-5,7,11H,2-3,6H2,1H3",FRXSZNDVFUDTIR-UHFFFAOYSA-N,C10H13NO,163.22,163.099714,2.3,21.3,149,0,1,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1(2H)-QUINOLINEETHANOL, 3,4-DIHYDRO-2,2,4,7-TETRAMETHYL-",053817-44-0,103845,"2-(2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl)ethanol",CC1CC(N(C2=C1C=CC(=C2)C)CCO)(C)C,"InChI=1S/C15H23NO/c1-11-5-6-13-12(2)10-15(3,4)16(7-8-17)14(13)9-11/h5-6,9,12,17H,7-8,10H2,1-4H3",DICAWUKDDRKZDZ-UHFFFAOYSA-N,C15H23NO,233.35,233.1779644,3.1,23.5,264,0,1,2,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1(2H)-QUINOLINEETHANOL, 3,4-DIHYDRO-2,2,4-TRIMETHYL-",053350-33-7,103774,"2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethanol",CC1CC(N(C2=CC=CC=C12)CCO)(C)C,"InChI=1S/C14H21NO/c1-11-10-14(2,3)15(8-9-16)13-7-5-4-6-12(11)13/h4-7,11,16H,8-10H2,1-3H3",UTQYEARNAQZWGU-UHFFFAOYSA-N,C14H21NO,219.32,219.1623143,2.7,23.5,239,0,1,2,2,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1(2H)-Quinolineacrylic acid, 3,4-dihydro-alpha-cyano-, ethyl ester",6687-86-1,2836084,"ethyl (E)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enoate",CCOC(=O)/C(=C/N1CCCC2=CC=CC=C21)/C#N,"InChI=1S/C15H16N2O2/c1-2-19-15(18)13(10-16)11-17-9-5-7-12-6-3-4-8-14(12)17/h3-4,6,8,11H,2,5,7,9H2,1H3/b13-11+",CQQPOEPVLMKPHG-ACCUITESSA-N,C15H16N2O2,256.3,256.1211778,2.7,53.3,408,0,0,4,4,19,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"6-Quinolinemethanol, 1,2,3,4-tetrahydro-2-((isopropylamino)methyl)-7-nitro-",21738-42-1,4612,"[7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl]methanol",CC(C)NCC1CCC2=CC(=C(C=C2N1)[N+](=O)[O-])CO,"InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3",XCGYUJZMCCFSRP-UHFFFAOYSA-N,C14H21N3O3,279.33,279.1582915,2.2,90.1,332,0,3,5,4,20,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-Quinolinol, 1,2,3,4-tetrahydro-",61468-43-7,3046036,"1,2,3,4-tetrahydroquinolin-5-ol",C1CC2=C(C=CC=C2O)NC1,"InChI=1S/C9H11NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h1,4-5,10-11H,2-3,6H2",AACROBBFQRNFHE-UHFFFAOYSA-N,C9H11NO,149.19,149.084064,1.9,32.3,138,0,2,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinolinepropionic acid, 1,2,3,4-tetrahydro-",91641-02-0,98707,"3-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid",C1CC2=CC=CC=C2N(C1)CCC(=O)O,"InChI=1S/C12H15NO2/c14-12(15)7-9-13-8-3-5-10-4-1-2-6-11(10)13/h1-2,4,6H,3,5,7-9H2,(H,14,15)",BHSFGROFSZRPCD-UHFFFAOYSA-N,C12H15NO2,205.25,205.1102787,1.9,40.5,230,0,1,3,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Quinolinol, 1,2,3,4-tetrahydro-2-methyl-",108825-11-2,3065780,"2-methyl-1,2,3,4-tetrahydroquinolin-5-ol",CC1CCC2=C(N1)C=CC=C2O,"InChI=1S/C10H13NO/c1-7-5-6-8-9(11-7)3-2-4-10(8)12/h2-4,7,11-12H,5-6H2,1H3",RWIHAUCDTLMENH-UHFFFAOYSA-N,C10H13NO,163.22,163.099714,2.4,32.3,160,0,2,2,0,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"QUINOLINE, 1,2,3,4-TETRAHYDRO-2,2,4,7-TETRAMETHYL-",059388-58-8,101035,"2,2,4,7-tetramethyl-3,4-dihydro-1H-quinoline",CC1CC(NC2=C1C=CC(=C2)C)(C)C,"InChI=1S/C13H19N/c1-9-5-6-11-10(2)8-13(3,4)14-12(11)7-9/h5-7,10,14H,8H2,1-4H3",NRWNXIXJZMSDAU-UHFFFAOYSA-N,C13H19N,189.3,189.1517496,3.6,12,209,0,1,1,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANAMIDE, N-(1-ETHYL-1,2,3,4-TETRAHYDRO-2,2,4-TRIMETHYL-7-QUINOLINYL)-",063134-09-8,112580,"N-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-7-yl)propanamide",CCC(=O)NC1=CC2=C(C=C1)C(CC(N2CC)(C)C)C,"InChI=1S/C17H26N2O/c1-6-16(20)18-13-8-9-14-12(3)11-17(4,5)19(7-2)15(14)10-13/h8-10,12H,6-7,11H2,1-5H3,(H,18,20)",AEFPWLPDOOECGX-UHFFFAOYSA-N,C17H26N2O,274.4,274.2045135,3.4,32.3,353,0,1,2,3,20,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
THIANAPHTHENE,000095-15-8,7221,1-benzothiophene,C1=CC=C2C(=C1)C=CS2,InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H,FCEHBMOGCRZNNI-UHFFFAOYSA-N,C8H6S,134.2,134.0190214,3.1,28.2,101,0,0,1,0,9,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZO[B]THIOPHENE-2-BORONIC ACID,098437-23-1,2359,1-benzothiophen-2-ylboronic acid,B(C1=CC2=CC=CC=C2S1)(O)O,"InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H",YNCYPMUJDDXIRH-UHFFFAOYSA-N,C8H7BO2S,178.02,178.0259808,,68.7,165,0,2,3,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ZILEUTON (FEMALE),111406-87-2,60490,1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea,CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)O,"InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)",MWLSOWXNZPKENC-UHFFFAOYSA-N,C11H12N2O2S,236.29,236.0619488,1.6,94.8,275,0,2,3,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Ketone, methyl 3-thianaphthenyl",1128-05-8,14316,1-(1-benzothiophen-3-yl)ethanone,CC(=O)C1=CSC2=CC=CC=C21,"InChI=1S/C10H8OS/c1-7(11)9-6-12-10-5-3-2-4-8(9)10/h2-6H,1H3",ZTTZKDDWXHQKSY-UHFFFAOYSA-N,C10H8OS,176.24,176.0295861,2.8,45.3,190,0,0,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzo(b)thiophene-2-acetic acid, 3-methyl-",1505-52-8,2779867,2-(3-methyl-1-benzothiophen-2-yl)acetic acid,CC1=C(SC2=CC=CC=C12)CC(=O)O,"InChI=1S/C11H10O2S/c1-7-8-4-2-3-5-9(8)14-10(7)6-11(12)13/h2-5H,6H2,1H3,(H,12,13)",MFVMWBIORCNCNB-UHFFFAOYSA-N,C11H10O2S,206.26,206.0401507,3.3,65.5,229,0,1,3,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Benzo(b)thiophene-4-ol,2/4/10,19217,1-benzothiophen-4-ol,C1=CC(=C2C=CSC2=C1)O,"InChI=1S/C8H6OS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,9H",BMRZGYNNZTVECK-UHFFFAOYSA-N,C8H6OS,150.2,150.013936,2.6,48.5,126,0,1,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thianaphthene, 2,3-dichloro-",5323-97-7,79217,"2,3-dichloro-1-benzothiophene",C1=CC=C2C(=C1)C(=C(S2)Cl)Cl,InChI=1S/C8H4Cl2S/c9-7-5-3-1-2-4-6(5)11-8(7)10/h1-4H,ACKJNFZJNNOLCP-UHFFFAOYSA-N,C8H4Cl2S,203.09,201.9410767,3.8,28.2,151,0,0,1,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Benzo(b)thiophene-3-ethylamine,14585-66-1,26743,2-(1-benzothiophen-3-yl)ethanamine,C1=CC=C2C(=C1)C(=CS2)CCN,"InChI=1S/C10H11NS/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5-6,11H2",YWXDBWNXMZHMFX-UHFFFAOYSA-N,C10H11NS,177.27,177.0612205,2.3,54.3,149,0,1,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzo(b)thiophene-3-acetic acid, 5-chloro-",17266-30-7,205058,2-(5-chloro-1-benzothiophen-3-yl)acetic acid,C1=CC2=C(C=C1Cl)C(=CS2)CC(=O)O,"InChI=1S/C10H7ClO2S/c11-7-1-2-9-8(4-7)6(5-14-9)3-10(12)13/h1-2,4-5H,3H2,(H,12,13)",QQKKTOPRRGBBCT-UHFFFAOYSA-N,C10H7ClO2S,226.68,225.9855283,3,65.5,234,0,1,3,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzo(b)thiophene-3-ethylamine, hydrochloride",19985-71-8,209554,2-(1-benzothiophen-3-yl)ethanamine;hydrochloride,C1=CC=C2C(=C1)C(=CS2)CCN.Cl,"InChI=1S/C10H11NS.ClH/c11-6-5-8-7-12-10-4-2-1-3-9(8)10;/h1-4,7H,5-6,11H2;1H",PVEKDTORMRYTRT-UHFFFAOYSA-N,C10H12ClNS,213.73,213.0378983,,54.3,149,0,2,2,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzo(b)thiophene-2-carboxylic acid, 2,3-dihydro-, (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, ethanedioate (1:1)",230293-29-5,95864,1-benzothiophene-2-carboxylic acid,C1=CC=C2C(=C1)C=C(S2)C(=O)O,"InChI=1S/C9H6O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)",DYSJMQABFPKAQM-UHFFFAOYSA-N,C9H6O2S,178.21,178.0088506,2.8,65.5,193,0,1,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzo(b)thiophene-3-methanol, alpha-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-",,2776342,1-benzothiophen-3-ylmethanol,C1=CC=C2C(=C1)C(=CS2)CO,"InChI=1S/C9H8OS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,10H,5H2",UYGMKSKKGSUAHB-UHFFFAOYSA-N,C9H8OS,164.23,164.0295861,2.1,48.5,138,0,1,2,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzo(b)thiophene-3-carbonitrile, 2-(6-amino-3,4-dihydro-4-imino-3-phenyl-2-thioxo-1(2H)-pyrimidinyl)-4,5,6,7-tetrahydro-",,11435093,1-benzothiophene-3-carbonitrile,C1=CC=C2C(=C1)C(=CS2)C#N,"InChI=1S/C9H5NS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H",WBXHAYDGMCONLX-UHFFFAOYSA-N,C9H5NS,159.21,159.0142703,2.8,52,193,0,0,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzo(b)thiophene-7-carboxylic acid, 3-(2-(2-carboxyethyl)-4-(4-cyclopentyloxy-2-hydroxybenzoyl)phenoxymethyl)-",,14235073,1-benzothiophene-7-carboxylic acid,C1=CC2=C(C(=C1)C(=O)O)SC=C2,"InChI=1S/C9H6O2S/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-5H,(H,10,11)",LJPSRTWIAXVPIS-UHFFFAOYSA-N,C9H6O2S,178.21,178.0088506,2.5,65.5,193,0,1,3,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-",57098-36-9,601280,1-benzothiophene-3-carboxylic acid,C1=CC=C2C(=C1)C(=CS2)C(=O)O,"InChI=1S/C9H6O2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5H,(H,10,11)",DRBLTQNCQJXSNU-UHFFFAOYSA-N,C9H6O2S,178.21,178.0088506,2.6,65.5,193,0,1,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENECARBOXAMIDE, 3-HYDROXY-N-PHENYL-",000092-77-3,66719,3-hydroxy-N-phenylnaphthalene-2-carboxamide,C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2O,"InChI=1S/C17H13NO2/c19-16-11-13-7-5-4-6-12(13)10-15(16)17(20)18-14-8-2-1-3-9-14/h1-11,19H,(H,18,20)",JFGQHAHJWJBOPD-UHFFFAOYSA-N,C17H13NO2,263.29,263.0946287,4.5,49.3,338,0,2,2,2,20,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"1,3-BENZENEDICARBOXYLIC ACID, 5-[[(1-HYDROXY-2-NAPHTHALENYL)CARBONYL]OCTADECYL",026639-29-2,117831,"5-[(1-hydroxynaphthalene-2-carbonyl)-octadecylamino]benzene-1,3-dicarboxylic acid",CCCCCCCCCCCCCCCCCCN(C1=CC(=CC(=C1)C(=O)O)C(=O)O)C(=O)C2=C(C3=CC=CC=C3C=C2)O,"InChI=1S/C37H49NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-38(31-26-29(36(41)42)25-30(27-31)37(43)44)35(40)33-23-22-28-20-17-18-21-32(28)34(33)39/h17-18,20-23,25-27,39H,2-16,19,24H2,1H3,(H,41,42)(H,43,44)",OBCOPYLXZAHBGX-UHFFFAOYSA-N,C37H49NO6,603.8,603.3559883,12.3,115,826,0,3,6,21,44,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENECARBOXAMIDE, N-(4-CHLOROPHENYL)-3-HYDROXY-",000092-78-4,66720,N-(4-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide,C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=C(C=C3)Cl)O,"InChI=1S/C17H12ClNO2/c18-13-5-7-14(8-6-13)19-17(21)15-9-11-3-1-2-4-12(11)10-16(15)20/h1-10,20H,(H,19,21)",OHAXNCGNVGGWSO-UHFFFAOYSA-N,C17H12ClNO2,297.7,297.0556563,4.8,49.3,368,0,2,2,2,21,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENECARBOXAMIDE, N-[4-(ACETYLAMINO)PHENYL]-3-HYDROXY-",041506-62-1,170529,N-(4-acetamidophenyl)-3-hydroxynaphthalene-2-carboxamide,CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2O,"InChI=1S/C19H16N2O3/c1-12(22)20-15-6-8-16(9-7-15)21-19(24)17-10-13-4-2-3-5-14(13)11-18(17)23/h2-11,23H,1H3,(H,20,22)(H,21,24)",MSRUOXBBGPWHEG-UHFFFAOYSA-N,C19H16N2O3,320.3,320.1160924,3.4,78.4,460,0,3,3,3,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
NAPHTHOL AS-D ACETATE,000528-66-5,3562787,[3-[(2-methylphenyl)carbamoyl]naphthalen-2-yl] acetate,CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2OC(=O)C,"InChI=1S/C20H17NO3/c1-13-7-3-6-10-18(13)21-20(23)17-11-15-8-4-5-9-16(15)12-19(17)24-14(2)22/h3-12H,1-2H3,(H,21,23)",PMRFWCJXRSRVPS-UHFFFAOYSA-N,C20H17NO3,319.4,319.1208434,4.1,55.4,464,0,1,3,4,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENECARBOXAMIDE, 3-HYDROXY-N-(2-METHOXYPHENYL)-",000135-62-6,67274,3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide,COC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2O,"InChI=1S/C18H15NO3/c1-22-17-9-5-4-8-15(17)19-18(21)14-10-12-6-2-3-7-13(12)11-16(14)20/h2-11,20H,1H3,(H,19,21)",AQYMRQUYPFCXDM-UHFFFAOYSA-N,C18H15NO3,293.3,293.1051933,4.2,58.6,387,0,2,3,3,22,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"2-NAPHTHALENECARBOXAMIDE, N-(2-ETHYLPHENYL)-3-HYDROXY-",068911-98-8,111744,N-(2-ethylphenyl)-3-hydroxynaphthalene-2-carboxamide,CCC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2O,"InChI=1S/C19H17NO2/c1-2-13-7-5-6-10-17(13)20-19(22)16-11-14-8-3-4-9-15(14)12-18(16)21/h3-12,21H,2H2,1H3,(H,20,22)",SVJPZKBLNJTZNY-UHFFFAOYSA-N,C19H17NO2,291.3,291.1259288,5,49.3,384,0,2,2,3,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NAPHTHOL AS-MX PHOSPHATE,001596-56-1,74136,"[3-[(2,4-dimethylphenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate",CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2OP(=O)(O)O)C,"InChI=1S/C19H18NO5P/c1-12-7-8-17(13(2)9-12)20-19(21)16-10-14-5-3-4-6-15(14)11-18(16)25-26(22,23)24/h3-11H,1-2H3,(H,20,21)(H2,22,23,24)",IOMLBTHPCVDRHM-UHFFFAOYSA-N,C19H18NO5P,371.3,371.0922597,3.1,95.9,550,0,3,5,4,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENECARBOXAMIDE, 3-HYDROXY-N-(2-METHYLPHENYL)-",000135-61-5,67273,3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide,CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2O,"InChI=1S/C18H15NO2/c1-12-6-2-5-9-16(12)19-18(21)15-10-13-7-3-4-8-14(13)11-17(15)20/h2-11,20H,1H3,(H,19,21)",FBLAHUMENIHUGG-UHFFFAOYSA-N,C18H15NO2,277.3,277.1102787,4.6,49.3,370,0,2,2,2,21,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-NAPHTHALENECARBOXAMIDE, N-(5-CHLORO-2-METHYLPHENYL)-3-HYDROXY-",000135-63-7,67275,N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide,CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC3=CC=CC=C3C=C2O,"InChI=1S/C18H14ClNO2/c1-11-6-7-14(19)10-16(11)20-18(22)15-8-12-4-2-3-5-13(12)9-17(15)21/h2-10,21H,1H3,(H,20,22)",XZOACPDZZYNJER-UHFFFAOYSA-N,C18H14ClNO2,311.8,311.0713064,5.2,49.3,403,0,2,2,2,22,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-NAPHTHALENECARBOXAMIDE, N-(4-CHLORO-2,5-DIMETHOXYPHENYL)-3-HYDROXY-",004273-92-1,77955,"N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide",COC1=CC(=C(C=C1NC(=O)C2=CC3=CC=CC=C3C=C2O)OC)Cl,"InChI=1S/C19H16ClNO4/c1-24-17-10-15(18(25-2)9-14(17)20)21-19(23)13-7-11-5-3-4-6-12(11)8-16(13)22/h3-10,22H,1-2H3,(H,21,23)",QIHKTBRNOLQDGQ-UHFFFAOYSA-N,C19H16ClNO4,357.8,357.0767857,4.8,67.8,463,0,2,4,4,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
ISOXAZOLE,000288-14-2,9254,"1,2-oxazole",C1=CON=C1,InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H,CTAPFRYPJLPFDF-UHFFFAOYSA-N,C3H3NO,69.06,69.02146372,0.1,26,30,0,0,2,0,5,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"ISOXAZOLE, 5-METHYL-",005765-44-6,79833,"5-methyl-1,2-oxazole",CC1=CC=NO1,"InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3",AGQOIYCTCOEHGR-UHFFFAOYSA-N,C4H5NO,83.09,83.03711378,0.5,26,46,0,0,2,0,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"3-ISOXAZOLAMINE, 5-METHYL-",001072-67-9,66172,"5-methyl-1,2-oxazol-3-amine",CC1=CC(=NO1)N,"InChI=1S/C4H6N2O/c1-3-2-4(5)6-7-3/h2H,1H3,(H2,5,6)",FKPXGNGUVSHWQQ-UHFFFAOYSA-N,C4H6N2O,98.1,98.04801282,0.1,52.1,66,0,1,3,0,7,,,0,0,0,0,0,1,0,1,0,1,1,0,0,0,0,0,1,0,0,1
"ISOXAZOLE, 4-(CHLOROMETHYL)-3,5-DIMETHYL-",019788-37-5,88246,"4-(chloromethyl)-3,5-dimethyl-1,2-oxazole",CC1=C(C(=NO1)C)CCl,"InChI=1S/C6H8ClNO/c1-4-6(3-7)5(2)9-8-4/h3H2,1-2H3",NIFAUKBQIAURIM-UHFFFAOYSA-N,C6H8ClNO,145.59,145.0294416,1.6,26,99,0,0,2,1,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isoxazole, 3,4,5-trimethyl-",10557-82-1,25375,"3,4,5-trimethyl-1,2-oxazole",CC1=C(ON=C1C)C,InChI=1S/C6H9NO/c1-4-5(2)7-8-6(4)3/h1-3H3,MGHKWBQZEBMFOH-UHFFFAOYSA-N,C6H9NO,111.14,111.0684139,1.5,26,84,0,0,2,0,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"5-Isoxazolecarboxylic acid, 3-chloro-",20724-56-5,30240,"3-chloro-1,2-oxazole-5-carboxylic acid",C1=C(ON=C1Cl)C(=O)O,"InChI=1S/C4H2ClNO3/c5-3-1-2(4(7)8)9-6-3/h1H,(H,7,8)",IDKGQUZZCFRJHC-UHFFFAOYSA-N,C4H2ClNO3,147.51,146.9723206,1.2,63.3,129,0,1,4,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, N,N-dimethyl-N'-(5-(1,1-dimethylethyl)-3-isoxazolyl)-",55861-78-4,41648,"3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea",CC(C)(C)C1=CC(=NO1)NC(=O)N(C)C,"InChI=1S/C10H17N3O2/c1-10(2,3)7-6-8(12-15-7)11-9(14)13(4)5/h6H,1-5H3,(H,11,12,14)",JLLJHQLUZAKJFH-UHFFFAOYSA-N,C10H17N3O2,211.26,211.1320768,1.6,58.4,235,0,1,3,2,15,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-Isoxazolamine, 3-(1-ethyl-1-methylpropyl)-",82560-06-3,92402,"3-(3-methylpentan-3-yl)-1,2-oxazol-5-amine",CCC(C)(CC)C1=NOC(=C1)N,"InChI=1S/C9H16N2O/c1-4-9(3,5-2)7-6-8(10)12-11-7/h6H,4-5,10H2,1-3H3",DFDAEJDUOXMUQR-UHFFFAOYSA-N,C9H16N2O,168.24,168.1262631,2.4,52.1,145,0,1,3,3,12,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-Isoxazolecarboxylic acid, 5-(aminomethyl)-, mono(trifluoroacetate)",138741-51-2,11286453,"1,2-oxazole-3-carboxylic acid",C1=CON=C1C(=O)O,"InChI=1S/C4H3NO3/c6-4(7)3-1-2-8-5-3/h1-2H,(H,6,7)",UXYRXGFUANQKTA-UHFFFAOYSA-N,C4H3NO3,113.07,113.011293,0.2,63.3,103,0,1,4,1,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Isoxazoleacetic acid, 5-(1,1-dimethylethyl)-",155602-49-6,23006339,"2-(1,2-oxazol-4-yl)acetic acid",C1=C(C=NO1)CC(=O)O,"InChI=1S/C5H5NO3/c7-5(8)1-4-2-6-9-3-4/h2-3H,1H2,(H,7,8)",AJCXYOOVQPARJJ-UHFFFAOYSA-N,C5H5NO3,127.1,127.026943,-0.2,63.3,115,0,1,4,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Isoxazolecarboxylic acid, 5-amino-3-methyl-, 2-(1-(4-chlorophenyl)ethylidene)hydrazide",,3014488,"1,2-oxazole-4-carboxylic acid",C1=C(C=NO1)C(=O)O,"InChI=1S/C4H3NO3/c6-4(7)3-1-5-8-2-3/h1-2H,(H,6,7)",LYPXTDXYEQEIIN-UHFFFAOYSA-N,C4H3NO3,113.07,113.011293,-0.1,63.3,103,0,1,4,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Isoxazolecarboxylic acid, 3-(4-(4-(4-((E)-2-carboxyethenyl)phenyl)-5-(4-(2-((hexadecylamino)carbonyl)ethenyl)phenyl)-1H-imidazol-2-yl)phenyl)-4,5-dihydro-, hydrate",,2060599,"1,2-oxazole-5-carboxylic acid",C1=C(ON=C1)C(=O)O,"InChI=1S/C4H3NO3/c6-4(7)3-1-2-5-8-3/h1-2H,(H,6,7)",MIIQJAUWHSUTIT-UHFFFAOYSA-N,C4H3NO3,113.07,113.011293,0.2,63.3,103,0,1,4,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DIMETHYLISOXAZOLE",000300-87-8,9312,"3,5-dimethyl-1,2-oxazole",CC1=CC(=NO1)C,"InChI=1S/C5H7NO/c1-4-3-5(2)7-6-4/h3H,1-2H3",FICAQKBMCKEFDI-UHFFFAOYSA-N,C5H7NO,97.12,97.05276385,1.2,26,65,0,0,2,0,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"3-Isoxazolecarboxamide, 5-(phenylmethyl)-N-((3S)-2,3,4,5-tetrahydro-5-methyl-4-oxo-1,5-benzoxazepin-3-yl)-",,22263119,"1,2-oxazole-3-carboxamide",C1=CON=C1C(=O)N,"InChI=1S/C4H4N2O2/c5-4(7)3-1-2-8-6-3/h1-2H,(H2,5,7)",LKYNGTHMKCTTQC-UHFFFAOYSA-N,C4H4N2O2,112.09,112.0272774,-0.4,69.1,104,0,1,3,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANAMINIUM, N-[4-[[4-(DIETHYLAMINO)PHENYL]PHENYLMETHYLENE]-2,5-CYCLOHEXADIEN",076994-37-1,166489,"[4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium acetate",CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3.CC(=O)[O-],"InChI=1S/C27H33N2.C2H4O2/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;1-2(3)4/h9-21H,5-8H2,1-4H3;1H3,(H,3,4)/q+1;/p-1",ZACIFCVOARIOBT-UHFFFAOYSA-M,C29H36N2O2,444.6,444.2776784,,46.4,592,0,0,3,7,33,,,1,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,0
"METHANAMINIUM, N-[4-[(2-CHLOROPHENYL)[4-(DIMETHYLAMINO)PHENYL]METHYLENE]-2,5-C",003521-06-0,107404,"[4-[(2-chlorophenyl)-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride",CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3Cl.[Cl-],"InChI=1S/C23H24ClN2.ClH/c1-25(2)19-13-9-17(10-14-19)23(21-7-5-6-8-22(21)24)18-11-15-20(16-12-18)26(3)4;/h5-16H,1-4H3;1H/q+1;/p-1",GRPFBMKYXAYEJM-UHFFFAOYSA-M,C23H24Cl2N2,399.4,398.1316542,,6.3,557,0,0,2,3,27,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"METHYLIUM, [4-(DIMETHYLAMINO)PHENYL]BIS[4-(ETHYLAMINO)-3-METHYLPHENYL]-, ACETA",072102-55-7,56841048,"[4-[bis[4-(ethylamino)-3-methylphenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium acetate",CCNC1=C(C=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC(=C(C=C3)NCC)C)C.CC(=O)[O-],"InChI=1S/C27H33N3.C2H4O2/c1-7-28-25-15-11-22(17-19(25)3)27(21-9-13-24(14-10-21)30(5)6)23-12-16-26(29-8-2)20(4)18-23;1-2(3)4/h9-18H,7-8H2,1-6H3,(H,28,29);1H3,(H,3,4)",HCOHYOYSWPHKLS-UHFFFAOYSA-N,C29H37N3O2,459.6,459.2885774,,67.2,670,0,2,4,6,34,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"METHANAMINIUM, N-[4-[[4-(DIMETHYLAMINO)PHENYL]PHENYLMETHYLENE]-2,5-CYCLOHEXADI",016044-24-9,85946,"[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;hydrogen sulfate",CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.OS(=O)(=O)[O-],"InChI=1S/C23H25N2.H2O4S/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;1-5(2,3)4/h5-17H,1-4H3;(H2,1,2,3,4)/q+1;/p-1",VUFBTYDTQCZLCG-UHFFFAOYSA-M,C23H26N2O4S,426.5,426.1613285,,92.1,592,0,1,5,3,30,,,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
"METHANAMINIUM, N-[4-[[4-(DIMETHYLAMINO)PHENYL]PHENYLMETHYLENE]-2,5-CYCLOHEXADI",041272-40-6,162459,"[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium acetate",CC(=O)[O-].CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3,"InChI=1S/C23H25N2.C2H4O2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;1-2(3)4/h5-17H,1-4H3;1H3,(H,3,4)/q+1;/p-1",VPJMOSKUCQUJHU-UHFFFAOYSA-M,C25H28N2O2,388.5,388.2150781,,46.4,542,0,0,3,3,29,,,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,1,0,0
"METHANAMINIUM, N-[4-[BIS[4-(DIMETHYLAMINO)PHENYL]METHYLENE]-2,5-CYCLOHEXADIEN-",067939-65-5,106183,"[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium acetate",CC(=O)[O-].CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C,"InChI=1S/C25H30N3.C2H4O2/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;1-2(3)4/h7-18H,1-6H3;1H3,(H,3,4)/q+1;/p-1",WJZAWAXCKDHVBC-UHFFFAOYSA-M,C27H33N3O2,431.6,431.2572773,,49.6,567,0,0,4,4,32,,,1,0,0,1,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"METHYLIUM, BIS[4-(DIMETHYLAMINO)PHENYL][4-(ETHYLAMINO)-3-METHYLPHENYL]-, ACETA",072102-66-0,21125261,"[4-[[4-(dimethylamino)phenyl]-[4-(ethylamino)-3-methylphenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium acetate",CCNC1=C(C=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C)C.CC(=O)[O-],"InChI=1S/C26H31N3.C2H4O2/c1-7-27-25-17-12-22(18-19(25)2)26(20-8-13-23(14-9-20)28(3)4)21-10-15-24(16-11-21)29(5)6;1-2(3)4/h8-18H,7H2,1-6H3;1H3,(H,3,4)",PHMNZHYQQFKFHJ-UHFFFAOYSA-N,C28H35N3O2,445.6,445.2729274,,58.4,639,0,1,4,5,33,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0
MALACHITE GREEN,000569-64-2,11294,"[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride",CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.[Cl-],"InChI=1S/C23H25N2.ClH/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;/h5-17H,1-4H3;1H/q+1;/p-1",FDZZZRQASAIRJF-UHFFFAOYSA-M,C23H25ClN2,364.9,364.1706265,,6.3,516,0,0,2,3,26,,,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
"BENZENAMINIUM, 4-[[4-(DIMETHYLAMINO)PHENYL][4-(DIMETHYLIMINIO)-2,5-CYCLOHEXADI",000082-94-0,6727,"[4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-trimethylazanium dichloride",CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)[N+](C)(C)C.[Cl-].[Cl-],"InChI=1S/C26H33N3.2ClH/c1-27(2)23-14-8-20(9-15-23)26(21-10-16-24(17-11-21)28(3)4)22-12-18-25(19-13-22)29(5,6)7;;/h8-19H,1-7H3;2*1H/q+2;;/p-2",DWCZIOOZPIDHAB-UHFFFAOYSA-L,C26H33Cl2N3,458.5,457.2051535,,6.3,625,0,0,3,4,31,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINIUM, 4-[[4-(DIMETHYLAMINO)PHENYL][4-(DIMETHYLIMINIO)-2,5-CYCLOHEXADI",014855-76-6,84671,"[4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-ethyl-dimethylazanium;bromide;chloride",CC[N+](C)(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-].[Br-],"InChI=1S/C27H35N3.BrH.ClH/c1-8-30(6,7)26-19-13-23(14-20-26)27(21-9-15-24(16-10-21)28(2)3)22-11-17-25(18-12-22)29(4)5;;/h9-20H,8H2,1-7H3;2*1H/q+2;;/p-2",IDAQSADEMXDTKN-UHFFFAOYSA-L,C27H35BrClN3,516.9,515.17029,,6.3,645,0,0,3,5,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANAMINIUM, N-[4-[BIS[4-(DIETHYLAMINO)PHENYL]METHYLENE]-2,5-CYCLOHEXADIEN-1-",068814-02-8,111615,"[4-[bis[4-(diethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium;tungsten",CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=C(C=C3)N(CC)CC.[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W],"InChI=1S/C31H42N3.99W/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h13-24H,7-12H2,1-6H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;",PTWCKRYRAUHJFG-UHFFFAOYSA-N,C31H42N3W99+,18657,18657.4955,,9.5,615,1,0,2,10,133,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanaminium, N-(4-((4-(diethylamino)phenyl)(2,5-disulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, inner salt, sodium salt",68238-36-8,50108,"sodium 2-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]benzene-1,4-disulfonate",CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+],"InChI=1S/C27H32N2O6S2.Na/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-19-24(36(30,31)32)17-18-26(25)37(33,34)35;/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1",NLUFDZBOHMOBOE-UHFFFAOYSA-M,C27H31N2NaO6S2,566.7,566.1521233,,137,1040,0,0,7,7,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CRYSTAL VIOLET,000548-62-9,11057,"[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride",CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-],"InChI=1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1",ZXJXZNDDNMQXFV-UHFFFAOYSA-M,C25H30ClN3,408,407.2128257,,9.5,542,0,0,3,4,29,,,1,0,0,1,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANAMINIUM, N-[4-[BIS[4-(DIETHYLAMINO)PHENYL]METHYLENE]-2,5-CYCLOHEXADIEN-1-",002390-59-2,16955,"[4-[bis[4-(diethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium chloride",CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=C(C=C3)N(CC)CC.[Cl-],"InChI=1S/C31H42N3.ClH/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6;/h13-24H,7-12H2,1-6H3;1H/q+1;/p-1",JVICFMRAVNKDOE-UHFFFAOYSA-M,C31H42ClN3,492.1,491.306726,,9.5,615,0,0,3,10,35,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,1
METHYL GREEN,007114-03-6,16211442,"dichlorozinc;[4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-ethyl-dimethylazanium;bromide;chloride",CC[N+](C)(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-].Cl[Zn]Cl.[Br-],"InChI=1S/C27H35N3.BrH.3ClH.Zn/c1-8-30(6,7)26-19-13-23(14-20-26)27(21-9-15-24(16-10-21)28(2)3)22-11-17-25(18-12-22)29(4)5;;;;;/h9-20H,8H2,1-7H3;4*1H;/q+2;;;;;+2/p-4",RRKSQWOQZFIQKW-UHFFFAOYSA-J,C27H35BrCl3N3Zn,653.2,649.03714,,6.3,648,0,0,3,5,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MEPERIDINE,000057-42-1,4058,ethyl 1-methyl-4-phenylpiperidine-4-carboxylate,CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2,"InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3",XADCESSVHJOZHK-UHFFFAOYSA-N,C15H21NO2,247.33,247.1572289,2.5,29.5,276,0,0,3,4,18,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
4-CYANO-4-PHENYLPIPERIDINE HYDROCHLORIDE,051304-58-6,3084973,4-phenylpiperidine-4-carbonitrile;hydrochloride,C1CNCCC1(C#N)C2=CC=CC=C2.Cl,"InChI=1S/C12H14N2.ClH/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11;/h1-5,14H,6-9H2;1H",CQPHZBOPSZGTJM-UHFFFAOYSA-N,C12H15ClN2,222.71,222.0923762,,35.8,226,0,2,2,1,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(4-CHLOROPHENYL)-4-HYDROXYPIPERIDINE,039512-49-7,38282,4-(4-chlorophenyl)piperidin-4-ol,C1CNCCC1(C2=CC=C(C=C2)Cl)O,"InChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2",LZAYOZUFUAMFLD-UHFFFAOYSA-N,C11H14ClNO,211.69,211.0763918,1.6,32.3,184,0,2,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PETHIDINE- INTERMEDIATE-B (MEPERIDINE PRECURSOR),000077-17-8,32414,ethyl 4-phenylpiperidine-4-carboxylate,CCOC(=O)C1(CCNCC1)C2=CC=CC=C2,"InChI=1S/C14H19NO2/c1-2-17-13(16)14(8-10-15-11-9-14)12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3",QKHMFBKXTNQCTM-UHFFFAOYSA-N,C14H19NO2,233.31,233.1415788,2,38.3,253,0,1,3,4,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-PHENYLPIPERIDINE,000771-99-3,69873,4-phenylpiperidine,C1CNCCC1C2=CC=CC=C2,"InChI=1S/C11H15N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5,11-12H,6-9H2",UTBULQCHEUWJNV-UHFFFAOYSA-N,C11H15N,161.24,161.1204495,2,12,121,0,1,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Piperidinol, 1,3-dimethyl-4-phenyl-, propionate, hydrochloride, (+-)-",561-78-4,120737,"[(3S,4R)-1,3-dimethyl-4-phenylpiperidin-4-yl] propanoate;hydrochloride",CCC(=O)O[C@@]1(CCN(C[C@@H]1C)C)C2=CC=CC=C2.Cl,"InChI=1S/C16H23NO2.ClH/c1-4-15(18)19-16(14-8-6-5-7-9-14)10-11-17(3)12-13(16)2;/h5-9,13H,4,10-12H2,1-3H3;1H/t13-,16+;/m0./s1",LFLUADVCIBEPQJ-MELYUZJYSA-N,C16H24ClNO2,297.82,297.1495567,,29.5,312,0,1,3,4,20,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Isonipecotic acid, 4-phenyl-",3627-45-0,19259,4-phenylpiperidine-4-carboxylic acid,C1CNCCC1(C2=CC=CC=C2)C(=O)O,"InChI=1S/C12H15NO2/c14-11(15)12(6-8-13-9-7-12)10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)",DZZGGKPKWGPNJA-UHFFFAOYSA-N,C12H15NO2,205.25,205.1102787,-1,49.3,228,0,2,3,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Piperidinemethanol, 4-phenyl-",4220-08-0,77896,(4-phenylpiperidin-4-yl)methanol,C1CNCCC1(CO)C2=CC=CC=C2,"InChI=1S/C12H17NO/c14-10-12(6-8-13-9-7-12)11-4-2-1-3-5-11/h1-5,13-14H,6-10H2",YXDQCHJILIFZBY-UHFFFAOYSA-N,C12H17NO,191.27,191.1310142,1.4,32.3,169,0,2,2,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Piperidinecarboxaldehyde, 4-phenyl-",6952-94-9,81397,4-phenylpiperidine-4-carbaldehyde,C1CNCCC1(C=O)C2=CC=CC=C2,"InChI=1S/C12H15NO/c14-10-12(6-8-13-9-7-12)11-4-2-1-3-5-11/h1-5,10,13H,6-9H2",XCENPWBBAXQVCG-UHFFFAOYSA-N,C12H15NO,189.25,189.1153641,1.2,29.1,190,0,1,2,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-Propanone, 1-(4-phenyl-4-piperidinyl)-, hydrochloride",15847-64-0,197939,1-(4-phenylpiperidin-4-yl)propan-1-one;hydrochloride,CCC(=O)C1(CCNCC1)C2=CC=CC=C2.Cl,"InChI=1S/C14H19NO.ClH/c1-2-13(16)14(8-10-15-11-9-14)12-6-4-3-5-7-12;/h3-7,15H,2,8-11H2,1H3;1H",YUIHHNJRRHSETH-UHFFFAOYSA-N,C14H20ClNO,253.77,253.123342,,29.1,237,0,2,2,3,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Isonipecotic acid, 4-phenyl-, ethyl ester, hydrochloride",24465-45-0,53444519,ethyl 4-phenylpiperidine-4-carboxylate;hydrochloride,CCOC(=O)C1(CCNCC1)C2=CC=CC=C2.Cl,"InChI=1S/C14H19NO2.ClH/c1-2-17-13(16)14(8-10-15-11-9-14)12-6-4-3-5-7-12;/h3-7,15H,2,8-11H2,1H3;1H",BBWMASBANDIFMV-UHFFFAOYSA-N,C14H20ClNO2,269.77,269.1182566,,38.3,253,0,2,3,4,18,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperidine, 4-(3-(methylsulfonyl)phenyl)-1-propyl-",,9795739,4-(3-methylsulfonylphenyl)-1-propylpiperidine,CCCN1CCC(CC1)C2=CC(=CC=C2)S(=O)(=O)C,"InChI=1S/C15H23NO2S/c1-3-9-16-10-7-13(8-11-16)14-5-4-6-15(12-14)19(2,17)18/h4-6,12-13H,3,7-11H2,1-2H3",YGKUEOZJFIXDGI-UHFFFAOYSA-N,C15H23NO2S,281.4,281.1449502,2.6,45.8,366,0,0,3,4,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"4-Piperidinol, 1-methyl-4-phenyl-, propionate (ester), hydrochloride",,3030770,(1-methyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride,CCC(=O)OC1(CCN(CC1)C)C2=CC=CC=C2.Cl,"InChI=1S/C15H21NO2.ClH/c1-3-14(17)18-15(9-11-16(2)12-10-15)13-7-5-4-6-8-13;/h4-8H,3,9-12H2,1-2H3;1H",WQANBUZBKNCRKH-UHFFFAOYSA-N,C15H22ClNO2,283.79,283.1339066,,29.5,276,0,1,3,4,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DEMEROL HYDROCHLORIDE,000050-13-5,5750,ethyl 1-methyl-4-phenylpiperidine-4-carboxylate;hydrochloride,CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2.Cl,"InChI=1S/C15H21NO2.ClH/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13;/h4-8H,3,9-12H2,1-2H3;1H",WCNLCIJMFAJCPX-UHFFFAOYSA-N,C15H22ClNO2,283.79,283.1339066,,29.5,276,0,1,3,4,19,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,1,0
"1-Propanone, 1-(4-(m-hydroxyphenyl)-1-methyl-4-piperidyl)-, hydrochloride",5965-49-1,80069,1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one;hydrochloride,CCC(=O)C1(CCN(CC1)C)C2=CC(=CC=C2)O.Cl,"InChI=1S/C15H21NO2.ClH/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12;/h4-6,11,17H,3,7-10H2,1-2H3;1H",HYDFAZFVKRXNJX-UHFFFAOYSA-N,C15H22ClNO2,283.79,283.1339066,,40.5,295,0,2,3,3,19,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SULFOLANE,000126-33-0,31347,"thiolane 1,1-dioxide",C1CCS(=O)(=O)C1,InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2,HXJUTPCZVOIRIF-UHFFFAOYSA-N,C4H8O2S,120.17,120.0245007,-0.8,42.5,128,0,0,2,0,7,"330 °F (USCG, 1999)","545 °F at 760 mmHg (USCG, 1999)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"THIOPHENE, 3,4-DIBROMOTETRAHYDRO-, 1,1-DIOXIDE",015091-30-2,85797,"3,4-dibromothiolane 1,1-dioxide",C1C(C(CS1(=O)=O)Br)Br,"InChI=1S/C4H6Br2O2S/c5-3-1-9(7,8)2-4(3)6/h3-4H,1-2H2",CGWKQCYAMPDEGC-UHFFFAOYSA-N,C4H6Br2O2S,277.96,277.84348,1,42.5,177,0,0,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-(DECYLOXY)TETRAHYDROTHIOPHENE 1,1-DIOXIDE",018760-44-6,86787,"3-decoxythiolane 1,1-dioxide",CCCCCCCCCCOC1CCS(=O)(=O)C1,"InChI=1S/C14H28O3S/c1-2-3-4-5-6-7-8-9-11-17-14-10-12-18(15,16)13-14/h14H,2-13H2,1H3",ZMLKENVAWQJBIR-UHFFFAOYSA-N,C14H28O3S,276.44,276.1759159,4.2,51.8,293,0,0,3,10,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Thiophenethylamine, tetrahydro-, 1,1-dioxide, hydrochloride",1596-47-0,200360,"2-(1,1-dioxothiolan-3-yl)ethanamine;hydrochloride",C1CS(=O)(=O)CC1CCN.Cl,"InChI=1S/C6H13NO2S.ClH/c7-3-1-6-2-4-10(8,9)5-6;/h6H,1-5,7H2;1H",IFBVUZIZESHHIC-UHFFFAOYSA-N,C6H14ClNO2S,199.7,199.0433776,,68.5,192,0,2,3,2,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiophene, tetrahydro-3,4-dichloro-, 1,1-dioxide",3001-57-8,18143,"3,4-dichlorothiolane 1,1-dioxide",C1C(C(CS1(=O)=O)Cl)Cl,"InChI=1S/C4H6Cl2O2S/c5-3-1-9(7,8)2-4(3)6/h3-4H,1-2H2",JCUQWSIALJCIEE-UHFFFAOYSA-N,C4H6Cl2O2S,189.06,187.946556,0.7,42.5,177,0,0,2,0,9,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiophene, tetrahydro-3-chloro-, 1,1-dioxide",3844-04-0,199211,"3-chlorothiolane 1,1-dioxide",C1CS(=O)(=O)CC1Cl,"InChI=1S/C4H7ClO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3H2",SEZJAAIKYHZWCH-UHFFFAOYSA-N,C4H7ClO2S,154.62,153.9855283,0.4,42.5,167,0,0,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiophene-3-ol, tetrahydro-, 1,1-dioxide",13031-76-0,98932,"1,1-dioxothiolan-3-ol",C1CS(=O)(=O)CC1O,"InChI=1S/C4H8O3S/c5-4-1-2-8(6,7)3-4/h4-5H,1-3H2",AMXKVIWWXBYXRS-UHFFFAOYSA-N,C4H8O3S,136.17,136.0194153,-0.9,62.8,164,0,1,3,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Thiophenamine, tetrahydro-N-methyl-N-nitroso-, 1,1-dioxide",13256-21-8,25810,"N-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide",CN(C1CCS(=O)(=O)C1)N=O,"InChI=1S/C5H10N2O3S/c1-7(6-8)5-2-3-11(9,10)4-5/h5H,2-4H2,1H3",PRZXZYVFNZCXQH-UHFFFAOYSA-N,C5H10N2O3S,178.21,178.0412134,-0.2,75.2,243,0,0,5,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Thiophene, tetrahydro-3-bromo-, 1,1-dioxide",14008-53-8,95637,"3-bromothiolane 1,1-dioxide",C1CS(=O)(=O)CC1Br,"InChI=1S/C4H7BrO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3H2",IPOKQKBJDASROB-UHFFFAOYSA-N,C4H7BrO2S,199.07,197.93501,0.6,42.5,167,0,0,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiophene, tetrahydro-3-iodo-, 1,1-dioxide",17236-22-5,205043,"3-iodothiolane 1,1-dioxide",C1CS(=O)(=O)CC1I,"InChI=1S/C4H7IO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3H2",CGOFTYIAIKDBLL-UHFFFAOYSA-N,C4H7IO2S,246.07,245.92115,0.7,42.5,167,0,0,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiophene, tetrahydro-3,4-dimethoxy-, 1,1-dioxide",27529-59-5,214010,"3,4-dimethoxythiolane 1,1-dioxide",COC1CS(=O)(=O)CC1OC,"InChI=1S/C6H12O4S/c1-9-5-3-11(7,8)4-6(5)10-2/h5-6H,3-4H2,1-2H3",OSDHRUQHPRZLJH-UHFFFAOYSA-N,C6H12O4S,180.22,180.04563,-0.8,61,197,0,0,4,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Thiophene-3-ol, tetrahydro-4-amino-, 1,1-dioxide",55261-00-2,293713,"4-amino-1,1-dioxothiolan-3-ol",C1C(C(CS1(=O)=O)O)N,"InChI=1S/C4H9NO3S/c5-3-1-9(7,8)2-4(3)6/h3-4,6H,1-2,5H2",REXPOWCRPFUCHS-UHFFFAOYSA-N,C4H9NO3S,151.19,151.0303143,-2.1,88.8,192,0,2,4,0,9,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,4-DIMETHYLSULFOLANE",001003-78-7,70483,"2,4-dimethylthiolane 1,1-dioxide",CC1CC(S(=O)(=O)C1)C,"InChI=1S/C6H12O2S/c1-5-3-6(2)9(7,8)4-5/h5-6H,3-4H2,1-2H3",WKFQMDFSDQFAIC-UHFFFAOYSA-N,C6H12O2S,148.23,148.0558008,1,42.5,188,0,0,2,0,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-METHYSULFOLANE,000872-93-5,79119,"3-methylthiolane 1,1-dioxide",CC1CCS(=O)(=O)C1,"InChI=1S/C5H10O2S/c1-5-2-3-8(6,7)4-5/h5H,2-4H2,1H3",CMJLMPKFQPJDKP-UHFFFAOYSA-N,C5H10O2S,134.2,134.0401507,0.5,42.5,163,0,0,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0
"THIOPHENE, 3,3,4,4-TETRACHLOROTETRAHYDRO-, 1,1-DIOXIDE",003737-41-5,77328,"3,3,4,4-tetrachlorothiolane 1,1-dioxide",C1C(C(CS1(=O)=O)(Cl)Cl)(Cl)Cl,"InChI=1S/C4H4Cl4O2S/c5-3(6)1-11(9,10)2-4(3,7)8/h1-2H2",GCAXGCSCRRVVLF-UHFFFAOYSA-N,C4H4Cl4O2S,257.9,257.865661,1.7,42.5,240,0,0,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-THIOPHENAMINE, TETRAHYDRO-, 1,1-DIOXIDE",006338-70-1,22807,"1,1-dioxothiolan-3-amine",C1CS(=O)(=O)CC1N,"InChI=1S/C4H9NO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3,5H2",OVKIDXBGVUQFFC-UHFFFAOYSA-N,C4H9NO2S,135.19,135.0353997,-1.1,68.5,167,0,1,3,0,8,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRAMETHYLENE-D8 SULFONE,051219-88-6,2733922,"2,2,3,3,4,4,5,5-octadeuteriothiolane 1,1-dioxide",[2H]C1(C(C(S(=O)(=O)C1([2H])[2H])([2H])[2H])([2H])[2H])[2H],"InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2/i1D2,2D2,3D2,4D2",HXJUTPCZVOIRIF-SVYQBANQSA-N,C4H8O2S,128.22,128.0747146,-0.8,42.5,128,0,0,2,0,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-",000091-21-4,7046,"1,2,3,4-tetrahydroisoquinoline",C1CNCC2=CC=CC=C21,"InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2",UWYZHKAOTLEWKK-UHFFFAOYSA-N,C9H11N,133.19,133.0891494,1.6,12,111,0,1,1,0,10,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID HYDROCHLORIDE",041994-51-8,2724135,"1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride",C1C(NCC2=CC=CC=C21)C(=O)O.Cl,"InChI=1S/C10H11NO2.ClH/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;/h1-4,9,11H,5-6H2,(H,12,13);1H",FXHCFPUEIDRTMR-UHFFFAOYSA-N,C10H12ClNO2,213.66,213.0556563,,49.3,205,0,3,3,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isoquinoline, 1,2,3,4-tetrahydro-1-methyl-",9/7/65,92214,"1-methyl-1,2,3,4-tetrahydroisoquinoline",CC1C2=CC=CC=C2CCN1,"InChI=1S/C10H13N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-5,8,11H,6-7H2,1H3",QPILYVQSKNWRDD-UHFFFAOYSA-N,C10H13N,147.22,147.1047994,1.7,12,133,0,1,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6-Isoquinolinol, 1,2,3,4-tetrahydro-",14446-24-3,26698,"1,2,3,4-tetrahydroisoquinolin-6-ol",C1CNCC2=C1C=C(C=C2)O,"InChI=1S/C9H11NO/c11-9-2-1-8-6-10-4-3-7(8)5-9/h1-2,5,10-11H,3-4,6H2",SCMZIFSYPJICCV-UHFFFAOYSA-N,C9H11NO,149.19,149.084064,1,32.3,138,0,2,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-",16620-96-5,27694,"6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline",CN1CCC2=CC(=C(C=C2C1)OC)OC,"InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3",TXPPKWZEHFNZOE-UHFFFAOYSA-N,C12H17NO2,207.27,207.1259288,1.7,21.7,210,0,0,3,2,15,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(1H)-Isoquinolineethylamine, 3,4-dihydro-",53356-51-7,40742,"2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine",C1CN(CC2=CC=CC=C21)CCN,"InChI=1S/C11H16N2/c12-6-8-13-7-5-10-3-1-2-4-11(10)9-13/h1-4H,5-9,12H2",JTEJMGHPAYJBTA-UHFFFAOYSA-N,C11H16N2,176.26,176.1313485,0.9,29.3,158,0,1,2,2,13,,,1,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isoquinoline, 6-methoxy-1,2,3,4-tetrahydro-, hydrochloride",57196-62-0,2920335,"6-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride",COC1=CC2=C(CNCC2)C=C1.Cl,"InChI=1S/C10H13NO.ClH/c1-12-10-3-2-9-7-11-5-4-8(9)6-10;/h2-3,6,11H,4-5,7H2,1H3;1H",QIUIKPQXMJJOQT-UHFFFAOYSA-N,C10H14ClNO,199.68,199.0763918,,21.3,149,0,2,2,1,13,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isoquinoline, 6,7-diethoxy-1,2,3,4-tetrahydro-, hydrochloride",63905-65-7,16232236,"6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride",CCOC1=C(C=C2CNCCC2=C1)OCC.Cl,"InChI=1S/C13H19NO2.ClH/c1-3-15-12-7-10-5-6-14-9-11(10)8-13(12)16-4-2;/h7-8,14H,3-6,9H2,1-2H3;1H",GXDZORNOMJIKNT-UHFFFAOYSA-N,C13H20ClNO2,257.75,257.1182566,,30.5,210,0,2,3,4,17,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Isoquinoline-6,7-diol, 1,2,3,4-tetrahydro-2-methyl-, hydrochloride",63937-92-8,13635210,"2-methyl-3,4-dihydro-1H-isoquinoline-6,7-diol;hydrochloride",CN1CCC2=CC(=C(C=C2C1)O)O.Cl,"InChI=1S/C10H13NO2.ClH/c1-11-3-2-7-4-9(12)10(13)5-8(7)6-11;/h4-5,12-13H,2-3,6H2,1H3;1H",URMJNZMQXGBIFX-UHFFFAOYSA-N,C10H14ClNO2,215.67,215.0713064,,43.7,186,0,3,3,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-",1745-07-9,15623,"6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline",COC1=C(C=C2CNCCC2=C1)OC,"InChI=1S/C11H15NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h5-6,12H,3-4,7H2,1-2H3",CEIXWJHURKEBMQ-UHFFFAOYSA-N,C11H15NO2,193.24,193.1102787,1.3,30.5,186,0,1,3,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Isoquinoline, N-methyl-6,7-dimethoxy-1,2,3,4-tetrahydro-, hydrochloride",16135-43-6,15557179,"6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride",CN1CCC2=CC(=C(C=C2C1)OC)OC.Cl,"InChI=1S/C12H17NO2.ClH/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13;/h6-7H,4-5,8H2,1-3H3;1H",PLUNNRJXHUNDQO-UHFFFAOYSA-N,C12H18ClNO2,243.73,243.1026065,,21.7,210,0,1,3,2,16,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-, hydrochloride",63283-42-1,6420035,"6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride",CC1C2=CC(=C(C=C2CCN1)OC)OC.Cl,"InChI=1S/C12H17NO2.ClH/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8;/h6-8,13H,4-5H2,1-3H3;1H",UJXLTDHDLUBZBL-UHFFFAOYSA-N,C12H18ClNO2,243.73,243.1026065,,30.5,210,0,2,3,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Isoquinolineacetonitrile, 1,2,3,4-tetrahydro-",91349-97-2,56222,"2-(3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile",C1CN(CC2=CC=CC=C21)CC#N,"InChI=1S/C11H12N2/c12-6-8-13-7-5-10-3-1-2-4-11(10)9-13/h1-4H,5,7-9H2",GPKIELSFWJGBHA-UHFFFAOYSA-N,C11H12N2,172.23,172.1000484,1.6,27,215,0,0,2,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Isoquinolinecarboxamide, 1,2,3,4-tetrahydro-6,7-dimethoxy-",,3029037,"6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide",COC1=C(C=C2CN(CCC2=C1)C(=O)N)OC,"InChI=1S/C12H16N2O3/c1-16-10-5-8-3-4-14(12(13)15)7-9(8)6-11(10)17-2/h5-6H,3-4,7H2,1-2H3,(H2,13,15)",JDHYQKPDXXUSQD-UHFFFAOYSA-N,C12H16N2O3,236.27,236.1160924,0.6,64.8,285,0,1,3,2,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ISOQUINOLINE,000119-65-3,8405,isoquinoline,C1=CC=C2C=NC=CC2=C1,InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H,AWJUIBRHMBBTKR-UHFFFAOYSA-N,C9H7N,129.16,129.0578492,2.1,12.9,111,0,0,1,0,10,,242.00 to 243.00 °C. @ 760.00 mm Hg,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
5-AMINOISOQUINOLINE,001125-60-6,70766,isoquinolin-5-amine,C1=CC2=C(C=CN=C2)C(=C1)N,"InChI=1S/C9H8N2/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,10H2",DTVYNUOOZIKEEX-UHFFFAOYSA-N,C9H8N2,144.17,144.0687483,1.4,38.9,136,0,1,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-METHYLISOQUINOLINE,001721-93-3,15592,1-methylisoquinoline,CC1=NC=CC2=CC=CC=C12,"InChI=1S/C10H9N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-7H,1H3",PBYMYAJONQZORL-UHFFFAOYSA-N,C10H9N,143.18,143.0734993,2.5,12.9,133,0,0,1,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-METHYLISOQUINOLINE,001125-80-0,14306,3-methylisoquinoline,CC1=CC2=CC=CC=C2C=N1,"InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-7H,1H3",FVVXWRGARUACNW-UHFFFAOYSA-N,C10H9N,143.18,143.0734993,2.7,12.9,133,0,0,1,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isoquinoline, 3-butyl-1-(2-(dimethylamino)ethoxy)-, hydrochloride",2773-92-4,9883104,"2-(3-butylisoquinolin-1-yl)oxy-N,N-dimethylethanamine;hydrochloride",CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)C.Cl,"InChI=1S/C17H24N2O.ClH/c1-4-5-9-15-13-14-8-6-7-10-16(14)17(18-15)20-12-11-19(2)3;/h6-8,10,13H,4-5,9,11-12H2,1-3H3;1H",SEYCAKMZVYADRS-UHFFFAOYSA-N,C17H25ClN2O,308.8,308.1655411,,25.4,270,0,1,3,7,21,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-Isoquinolinol,3336-49-0,18750,isoquinolin-4-ol,C1=CC=C2C(=C1)C=NC=C2O,"InChI=1S/C9H7NO/c11-9-6-10-5-7-3-1-2-4-8(7)9/h1-6,11H",DXTUTXYCHFWRQC-UHFFFAOYSA-N,C9H7NO,145.16,145.0527638,1.7,33.1,138,0,1,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Isoquinolinecarboxaldehyde, 5-nitro-",20335-60-8,265306,isoquinoline-1-carbaldehyde,C1=CC=C2C(=C1)C=CN=C2C=O,InChI=1S/C10H7NO/c12-7-10-9-4-2-1-3-8(9)5-6-11-10/h1-7H,HORFVOWTVOJVAN-UHFFFAOYSA-N,C10H7NO,157.17,157.0527638,2,30,169,0,0,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"8-Isoquinolinamine, 1,2,3,4-tetrahydro-2-methyl-4-phenyl-, (+-)-",89664-19-7,13927912,isoquinolin-8-amine,C1=CC2=C(C=NC=C2)C(=C1)N,"InChI=1S/C9H8N2/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-6H,10H2",GUSYANXQYUJOBH-UHFFFAOYSA-N,C9H8N2,144.17,144.0687483,1.4,38.9,136,0,1,2,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Isoquinolinesulfonamide, N-(2-aminoethyl)-, monohydrochloride",116970-50-4,3088099,N-(2-aminoethyl)isoquinoline-5-sulfonamide;hydrochloride,C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCN.Cl,"InChI=1S/C11H13N3O2S.ClH/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11;/h1-4,6,8,14H,5,7,12H2;1H",ZAMCOVXWUOADQX-UHFFFAOYSA-N,C11H14ClN3O2S,287.77,287.0495256,,93.5,339,0,3,5,4,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Isoquinolinamine, 6,7-dimethoxy-1-((3,4-dimethoxyphenyl)methyl)-, monohydrochloride",172421-56-6,311869,isoquinolin-3-amine,C1=CC=C2C=NC(=CC2=C1)N,"InChI=1S/C9H8N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H2,10,11)",VYCKDIRCVDCQAE-UHFFFAOYSA-N,C9H8N2,144.17,144.0687483,1.8,38.9,136,0,1,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6-Isoquinolinol, 5-(4,5-dimethoxy-2-methyl-1-naphthalenyl)-3,4-dihydro-8-methoxy-1,3-dimethyl-, (3S,5R)-",194811-19-3,135483582,isoquinolin-6-ol,C1=CC2=C(C=CN=C2)C=C1O,"InChI=1S/C9H7NO/c11-9-2-1-8-6-10-4-3-7(8)5-9/h1-6,11H",GPVPDRHTRGTSIH-UHFFFAOYSA-N,C9H7NO,145.16,145.0527638,1.9,33.1,138,0,1,2,0,11,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Isoquinolinecarboxylic acid, 8-bromo-3,4-dihydro-5,6-dihydroxy-",,124656,isoquinoline-3-carboxylic acid,C1=CC=C2C=NC(=CC2=C1)C(=O)O,"InChI=1S/C10H7NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H,12,13)",KVMMIDQDXZOPAB-UHFFFAOYSA-N,C10H7NO2,173.17,173.0476785,2,50.2,205,0,1,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"7-Isoquinolinol, 1,2,3,4-tetrahydro-1-((3-hydroxy-4-methoxyphenyl)methyl)-6-methoxy-2-methyl-, 2-oxide, (1S)-",,459767,isoquinolin-7-ol,C1=CC(=CC2=C1C=CN=C2)O,"InChI=1S/C9H7NO/c11-9-2-1-7-3-4-10-6-8(7)5-9/h1-6,11H",WCRKBMABEPCYII-UHFFFAOYSA-N,C9H7NO,145.16,145.0527638,1.9,33.1,138,0,1,2,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Isoquinolinecarboxylic acid, 3-(3-aminoxyphenyl)-2-((4-chlorophenyl)methyl)-1,2,3,4-tetrahydro-1-oxo-, trans-",,459768,isoquinoline-4-carboxylic acid,C1=CC=C2C(=C1)C=NC=C2C(=O)O,"InChI=1S/C10H7NO2/c12-10(13)9-6-11-5-7-3-1-2-4-8(7)9/h1-6H,(H,12,13)",MCVMLYSLPCECGO-UHFFFAOYSA-N,C10H7NO2,173.17,173.0476785,1.6,50.2,205,0,1,3,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"5-Isoquinolinesulfonamide, N-(2-((3-(4-bromophenyl)-2-propenyl)amino)ethyl)-, hydrochloride",,9837177,isoquinoline-5-sulfonamide,C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)N,"InChI=1S/C9H8N2O2S/c10-14(12,13)9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,(H2,10,12,13)",BFIWZEKPARJYJE-UHFFFAOYSA-N,C9H8N2O2S,208.24,208.0306487,0.7,81.4,296,0,1,4,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TAMOXIFEN,010540-29-1,2733526,"2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine",CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3,"InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-",NKANXQFJJICGDU-QPLCGJKRSA-N,C26H29NO,371.5,371.2249145,7.1,12.5,463,0,0,2,8,28,,,1,0,0,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
TAMOXIFEN CITRATE,054965-24-1,2733525,"2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid",CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,"InChI=1S/C26H29NO.C6H8O7/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,4,19-20H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;",FQZYTYWMLGAPFJ-OQKDUQJOSA-N,C32H37NO8,563.6,563.2519171,,145,690,0,4,9,13,41,,,0,0,0,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Ethylamine, N,N-dimethyl-2-(p-(1,2-diphenyl-1-butenyl)phenoxy)-, (E)-",013002-65-8,3032583,"2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine",CC/C(=C(/C1=CC=CC=C1)\C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3,"InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25+",NKANXQFJJICGDU-OCEACIFDSA-N,C26H29NO,371.5,371.2249145,7.1,12.5,463,0,0,2,8,28,,,0,0,0,1,0,1,1,0,0,0,1,0,0,1,0,0,0,0,1,0
TRIPHENYLETHYLENE,000058-72-0,6025,"1,2-diphenylethenylbenzene",C1=CC=C(C=C1)C=C(C2=CC=CC=C2)C3=CC=CC=C3,InChI=1S/C20H16/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H,MKYQPGPNVYRMHI-UHFFFAOYSA-N,C20H16,256.3,256.1252005,6.1,0,276,0,0,0,3,20,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Triethylamine, 2-(p-(2-chloro-1,2-diphenylvinyl)phenoxy)-",000911-45-5,2800,"2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine",CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3,"InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3",GKIRPKYJQBWNGO-UHFFFAOYSA-N,C26H28ClNO,406,405.1859422,7.2,12.5,481,0,0,2,9,29,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0
(Z)-4-(1-(4-(2-(DIMETHYLAMINO)ETHOXY)PHENYL)-2-PHENYL-1-BUTENYL)PHENOL,068047-06-3,449459,4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol,CC/C(=C(\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3,"InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-",TXUZVZSFRXZGTL-QPLCGJKRSA-N,C26H29NO2,387.5,387.2198292,6.8,32.7,493,0,1,3,8,29,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Triethylamine, 2-(p-(2-chloro-1,2-diphenylvinyl)phenoxy)-, citrate, (E)-",007599-79-3,6420009,"2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid",CCN(CC)CCOC1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/Cl)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,"InChI=1S/C26H28ClNO.C6H8O7/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25+;",PYTMYKVIJXPNBD-BTKVJIOYSA-N,C32H36ClNO8,598.1,597.2129448,,145,708,0,4,9,14,42,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Ethylene, bromotriphenyl-",001607-57-4,15354,"(1-bromo-2,2-diphenylethenyl)benzene",C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Br)C3=CC=CC=C3,InChI=1S/C20H15Br/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H,VUQVJIUBUPPCDB-UHFFFAOYSA-N,C20H15Br,335.2,334.03571,6.6,0,319,0,0,0,3,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Phenol, 3-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)-, (E)-",82413-20-5,3033767,3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol,CC/C(=C(/C1=CC=C(C=C1)OCCN(C)C)\C2=CC(=CC=C2)O)/C3=CC=CC=C3,"InChI=1S/C26H29NO2/c1-4-25(20-9-6-5-7-10-20)26(22-11-8-12-23(28)19-22)21-13-15-24(16-14-21)29-18-17-27(2)3/h5-16,19,28H,4,17-18H2,1-3H3/b26-25+",ZQZFYGIXNQKOAV-OCEACIFDSA-N,C26H29NO2,387.5,387.2198292,6.8,32.7,501,0,1,3,8,29,,,1,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,1,0,0
"Ethanamine, 2-(4-(4-chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)",89778-27-8,3005572,"2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid",CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCl)\C2=CC=CC=C2)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,"InChI=1S/C26H28ClNO.C6H8O7/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-16H,17-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;",IWEQQRMGNVVKQW-OQKDUQJOSA-N,C32H36ClNO8,598.1,597.2129448,,145,710,0,4,9,14,42,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 4-(1-(4-(2-(methylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)-",110025-28-0,3035980,4-[(E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol,CC/C(=C(/C1=CC=C(C=C1)O)\C2=CC=C(C=C2)OCCNC)/C3=CC=CC=C3,"InChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24+",MHJBZVSGOZTKRH-OCOZRVBESA-N,C25H27NO2,373.5,373.2041791,6.3,41.5,467,0,2,3,8,28,,,0,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Phenol, 4-(1,2-diphenyl-1-butenyl)-, (E,Z)-",,3033896,"4-[(E)-1,2-diphenylbut-1-enyl]phenol",CC/C(=C(/C1=CC=CC=C1)\C2=CC=C(C=C2)O)/C3=CC=CC=C3,"InChI=1S/C22H20O/c1-2-21(17-9-5-3-6-10-17)22(18-11-7-4-8-12-18)19-13-15-20(23)16-14-19/h3-16,23H,2H2,1H3/b22-21+",YJVFSITVRZYTHO-QURGRASLSA-N,C22H20O,300.4,300.1514153,6.3,20.2,377,0,1,1,4,23,,,1,1,1,1,0,1,1,1,0,0,1,0,0,1,0,0,1,0,0,1
"Ethylamine, 2-(p-(1,2-diphenyl-1-butenyl)phenoxy)-N-methyl-, (Z)-",031750-48-8,6378383,"2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine",CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCNC)/C3=CC=CC=C3,"InChI=1S/C25H27NO/c1-3-24(20-10-6-4-7-11-20)25(21-12-8-5-9-13-21)22-14-16-23(17-15-22)27-19-18-26-2/h4-17,26H,3,18-19H2,1-2H3/b25-24-",NYDCDZSEEAUOHN-IZHYLOQSSA-N,C25H27NO,357.5,357.2092645,6.7,21.3,437,0,1,2,8,27,,,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Triethylamine, 2-(p-(2-chloro-1,2-diphenylvinyl)phenoxy)-, (E)-",015690-57-0,1548953,"2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine",CCN(CC)CCOC1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/Cl)/C3=CC=CC=C3,"InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25+",GKIRPKYJQBWNGO-OCEACIFDSA-N,C26H28ClNO,406,405.1859422,7.2,12.5,481,0,0,2,9,29,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0
CLOMIPHENE CITRATE,000050-41-9,60974,"2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid",CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,"InChI=1S/C26H28ClNO.C6H8O7/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",PYTMYKVIJXPNBD-UHFFFAOYSA-N,C32H36ClNO8,598.1,597.2129448,,145,708,0,4,9,14,42,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
4-HYDROXY-7-TRIFLUOROMETHYLQUINOLINE-3-CARBOXYLIC ACID,000574-92-5,68459,4-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid,C1=CC2=C(C=C1C(F)(F)F)NC=C(C2=O)C(=O)O,"InChI=1S/C11H6F3NO3/c12-11(13,14)5-1-2-6-8(3-5)15-4-7(9(6)16)10(17)18/h1-4H,(H,15,16)(H,17,18)",BIRIVPOTERXIOW-UHFFFAOYSA-N,C11H6F3NO3,257.16,257.0299775,2.7,66.4,416,0,2,7,1,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,8-DIHYDROXYQUINOLINE-2-CARBOXYLIC ACID",000059-00-7,5699,8-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid,C1=CC2=C(C(=C1)O)NC(=CC2=O)C(=O)O,"InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)",FBZONXHGGPHHIY-UHFFFAOYSA-N,C10H7NO4,205.17,205.0375077,0.9,86.6,336,0,3,5,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-HYDROXYQUINOLINE-2-CARBOXYLIC ACID,000492-27-3,3845,4-oxo-1H-quinoline-2-carboxylic acid,C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O,"InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)",HCZHHEIFKROPDY-UHFFFAOYSA-N,C10H7NO3,189.17,189.0425931,1.3,66.4,308,0,2,4,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-HYDROXYQUINOLINE-2-CARBOXYLIC ACID HYDRATE,,18530299,4-oxo-1H-quinoline-2-carboxylic acid;hydrate,C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O.O,"InChI=1S/C10H7NO3.H2O/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9;/h1-5H,(H,11,12)(H,13,14);1H2",WZQSVWRLXGIOBK-UHFFFAOYSA-N,C10H9NO4,207.18,207.0531578,,67.4,308,0,3,5,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4(1H)-Quinolone, 1-methyl-",83-54-5,6748,1-methylquinolin-4-one,CN1C=CC(=O)C2=CC=CC=C21,"InChI=1S/C10H9NO/c1-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3",CSJAXRKDCCWCSJ-UHFFFAOYSA-N,C10H9NO,159.18,159.0684139,0.4,20.3,222,0,0,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Quinolinecarboxylic acid, 7-chloro-4-hydroxy-",86-47-5,66579,7-chloro-4-oxo-1H-quinoline-3-carboxylic acid,C1=CC2=C(C=C1Cl)NC=C(C2=O)C(=O)O,"InChI=1S/C10H6ClNO3/c11-5-1-2-6-8(3-5)12-4-7(9(6)13)10(14)15/h1-4H,(H,12,13)(H,14,15)",SACLIBNEKWTDEG-UHFFFAOYSA-N,C10H6ClNO3,223.61,223.0036207,2.5,66.4,340,0,2,4,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinaldic acid, 4-hydroxy-8-methoxy-",2929-14-8,76230,8-methoxy-4-oxo-1H-quinoline-2-carboxylic acid,COC1=CC=CC2=C1NC(=CC2=O)C(=O)O,"InChI=1S/C11H9NO4/c1-16-9-4-2-3-6-8(13)5-7(11(14)15)12-10(6)9/h2-5H,1H3,(H,12,13)(H,14,15)",BXZSKDOPGDPDEG-UHFFFAOYSA-N,C11H9NO4,219.19,219.0531578,1.3,75.6,350,0,2,5,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Quinolinecarboxylic acid, 7-chloro-4-hydroxy-",18000-24-3,1884,7-chloro-4-oxo-1H-quinoline-2-carboxylic acid,C1=CC2=C(C=C1Cl)NC(=CC2=O)C(=O)O,"InChI=1S/C10H6ClNO3/c11-5-1-2-6-7(3-5)12-8(10(14)15)4-9(6)13/h1-4H,(H,12,13)(H,14,15)",UAWVRVFHMOSAPU-UHFFFAOYSA-N,C10H6ClNO3,223.61,223.0036207,1.9,66.4,340,0,2,4,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Quinolinecarboxylic acid, 6-(decyloxy)-7-ethoxy-4-hydroxy-, ethyl ester",18507-89-6,29112,ethyl 6-decoxy-7-ethoxy-4-oxo-1H-quinoline-3-carboxylate,CCCCCCCCCCOC1=C(C=C2C(=C1)C(=O)C(=CN2)C(=O)OCC)OCC,"InChI=1S/C24H35NO5/c1-4-7-8-9-10-11-12-13-14-30-21-15-18-20(16-22(21)28-5-2)25-17-19(23(18)26)24(27)29-6-3/h15-17H,4-14H2,1-3H3,(H,25,26)",JHAYEQICABJSTP-UHFFFAOYSA-N,C24H35NO5,417.5,417.2515232,6.8,73.9,562,0,1,6,15,30,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Quinolinecarboxylic acid, 4-hydroxy-2-methyl-, ethyl ester",73987-39-0,2986317,ethyl 2-methyl-4-oxo-1H-quinoline-3-carboxylate,CCOC(=O)C1=C(NC2=CC=CC=C2C1=O)C,"InChI=1S/C13H13NO3/c1-3-17-13(16)11-8(2)14-10-7-5-4-6-9(10)12(11)15/h4-7H,3H2,1-2H3,(H,14,15)",PHRRSYMXOIKRAW-UHFFFAOYSA-N,C13H13NO3,231.25,231.0895433,2.4,55.4,373,0,1,4,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-6,7,8-trifluoro-, ethyl ester",79660-46-1,2733972,"ethyl 6,7,8-trifluoro-4-oxo-1H-quinoline-3-carboxylate",CCOC(=O)C1=CNC2=C(C(=C(C=C2C1=O)F)F)F,"InChI=1S/C12H8F3NO3/c1-2-19-12(18)6-4-16-10-5(11(6)17)3-7(13)8(14)9(10)15/h3-4H,2H2,1H3,(H,16,17)",ONQDAESGZUODFI-UHFFFAOYSA-N,C12H8F3NO3,271.19,271.0456276,2.3,55.4,426,0,1,7,3,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-Quinolinecarboxylic acid, 5,7-dichloro-4-hydroxy-",171850-30-9,735362,"5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid",C1=C(C=C(C2=C1NC=C(C2=O)C(=O)O)Cl)Cl,"InChI=1S/C10H5Cl2NO3/c11-4-1-6(12)8-7(2-4)13-3-5(9(8)14)10(15)16/h1-3H,(H,13,14)(H,15,16)",DEBOCPZCSPMQBS-UHFFFAOYSA-N,C10H5Cl2NO3,258.05,256.9646484,3.1,66.4,369,0,2,4,1,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4(1H)-Quinolinone, 7-chloro-",,66593,7-chloro-1H-quinolin-4-one,C1=CC2=C(C=C1Cl)NC=CC2=O,"InChI=1S/C9H6ClNO/c10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-5H,(H,11,12)",XMFXTXKSWIDMER-UHFFFAOYSA-N,C9H6ClNO,179.6,179.0137915,1.2,29.1,227,0,1,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-Quinolinol,611-36-9,69141,1H-quinolin-4-one,C1=CC=C2C(=C1)C(=O)C=CN2,"InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)",PMZDQRJGMBOQBF-UHFFFAOYSA-N,C9H7NO,145.16,145.0527638,0.6,29.1,198,0,1,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(1H)-QUINOLINONE, 1-METHYL-",000606-43-9,11820,1-methylquinolin-2-one,CN1C(=O)C=CC2=CC=CC=C21,"InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3",QYEMNJMSULGQRD-UHFFFAOYSA-N,C10H9NO,159.18,159.0684139,1.4,20.3,222,0,0,1,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(1H)-QUINOLINONE, 4-HYDROXY-, MONOSODIUM SALT",004510-76-3,517537,sodium 2-oxo-1H-quinolin-4-olate,C1=CC=C2C(=C1)C(=CC(=O)N2)[O-].[Na+],"InChI=1S/C9H7NO2.Na/c11-8-5-9(12)10-7-4-2-1-3-6(7)8;/h1-5H,(H2,10,11,12);/q;+1/p-1",MWXMDMIYCCSYNP-UHFFFAOYSA-M,C9H6NNaO2,183.14,183.0296227,,52.2,240,0,1,2,0,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(1H)-QUINOLINONE, 1-ETHYL-",053761-50-5,104603,1-ethylquinolin-2-one,CCN1C(=O)C=CC2=CC=CC=C21,"InChI=1S/C11H11NO/c1-2-12-10-6-4-3-5-9(10)7-8-11(12)13/h3-8H,2H2,1H3",JRXCUTAHLPYHAY-UHFFFAOYSA-N,C11H11NO,173.21,173.084064,1.8,20.3,234,0,0,1,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
4-HYDROXY-2(1H)-QUINOLINONE,000086-95-3,54680871,4-hydroxy-1H-quinolin-2-one,C1=CC=C2C(=C1)C(=CC(=O)N2)O,"InChI=1S/C9H7NO2/c11-8-5-9(12)10-7-4-2-1-3-6(7)8/h1-5H,(H2,10,11,12)",HDHQZCHIXUUSMK-UHFFFAOYSA-N,C9H7NO2,161.16,161.0476785,0.7,49.3,235,0,2,2,0,12,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
4-HYDROXY-1-METHYL-2(1H)-QUINOLINONE,001677-46-9,54686436,4-hydroxy-1-methylquinolin-2-one,CN1C2=CC=CC=C2C(=CC1=O)O,"InChI=1S/C10H9NO2/c1-11-8-5-3-2-4-7(8)9(12)6-10(11)13/h2-6,12H,1H3",RTNPPPQVXREFKX-UHFFFAOYSA-N,C10H9NO2,175.18,175.0633285,0.9,40.5,260,0,1,2,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(1H)-Quinolinone, 8-hydroxy-5-(1-hydroxy-2-((1-methylethyl)amino)butyl)-, mon",062929-91-3,16219912,"8-hydroxy-5-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;hydrochloride",CC[C@H]([C@H](C1=C2C=CC(=O)NC2=C(C=C1)O)O)NC(C)C.Cl,"InChI=1S/C16H22N2O3.ClH/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15;/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20);1H/t12-,16+;/m1./s1",AEQDBKHAAWUCMT-KKJWGQAZSA-N,C16H23ClN2O3,326.82,326.1397203,,81.6,397,0,5,4,5,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"3-Quinolinecarboxamide, 1,2-dihydro-N-hexyl-4-hydroxy-2-oxo-",21742-63-2,54677800,N-hexyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide,CCCCCCNC(=O)C1=C(C2=CC=CC=C2NC1=O)O,"InChI=1S/C16H20N2O3/c1-2-3-4-7-10-17-15(20)13-14(19)11-8-5-6-9-12(11)18-16(13)21/h5-6,8-9H,2-4,7,10H2,1H3,(H,17,20)(H2,18,19,21)",OYGUSVMTAGJJCT-UHFFFAOYSA-N,C16H20N2O3,288.34,288.1473925,3.6,78.4,431,0,3,3,6,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbostyril, 3-bromo-4-methyl-",37778-22-6,37832,3-bromo-4-methyl-1H-quinolin-2-one,CC1=C(C(=O)NC2=CC=CC=C12)Br,"InChI=1S/C10H8BrNO/c1-6-7-4-2-3-5-8(7)12-10(13)9(6)11/h2-5H,1H3,(H,12,13)",ATONPIUAJAKDQK-UHFFFAOYSA-N,C10H8BrNO,238.08,236.97893,2.2,29.1,272,0,1,1,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Quinolinecarboxylic acid, 1,2-dihydro-4-hydroxy-2-oxo-, ethyl ester",40059-53-8,54684458,ethyl 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate,CCOC(=O)C1=C(C2=CC=CC=C2NC1=O)O,"InChI=1S/C12H11NO4/c1-2-17-12(16)9-10(14)7-5-3-4-6-8(7)13-11(9)15/h3-6H,2H2,1H3,(H2,13,14,15)",LGLPFJDOUVCBNP-UHFFFAOYSA-N,C12H11NO4,233.22,233.0688078,1.7,75.6,375,0,2,4,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Quinolinecarboxylic acid, 1,2-dihydro-4-hydroxy-1-methyl-2-oxo-, hydrazide",74693-61-1,54680163,4-hydroxy-1-methyl-2-oxoquinoline-3-carbohydrazide,CN1C2=CC=CC=C2C(=C(C1=O)C(=O)NN)O,"InChI=1S/C11H11N3O3/c1-14-7-5-3-2-4-6(7)9(15)8(11(14)17)10(16)13-12/h2-5,15H,12H2,1H3,(H,13,16)",UJVPTHJMCJYAKU-UHFFFAOYSA-N,C11H11N3O3,233.22,233.0800412,0.7,95.7,391,0,3,4,1,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2(1H)-Quinolinone, 3-fluoro-",124467-22-7,11094963,3-fluoro-1H-quinolin-2-one,C1=CC=C2C(=C1)C=C(C(=O)N2)F,"InChI=1S/C9H6FNO/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-5H,(H,11,12)",FRFSUUWVTVDAJG-UHFFFAOYSA-N,C9H6FNO,163.15,163.043342,1.6,29.1,237,0,1,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(1H)-Quinolinone, 6-(bis(2,2,2-trifluoroethyl)amino)-4-(trifluoromethyl)-",328947-93-9,11560224,"6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one",C1=CC2=C(C=C1N(CC(F)(F)F)CC(F)(F)F)C(=CC(=O)N2)C(F)(F)F,"InChI=1S/C14H9F9N2O/c15-12(16,17)5-25(6-13(18,19)20)7-1-2-10-8(3-7)9(14(21,22)23)4-11(26)24-10/h1-4H,5-6H2,(H,24,26)",ULBPQWIGZUGPHU-UHFFFAOYSA-N,C14H9F9N2O,392.22,392.0571164,4.1,32.3,548,0,1,11,3,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
2-HYDROXYQUINOLINE,000059-31-4,6038,1H-quinolin-2-one,C1=CC=C2C(=C1)C=CC(=O)N2,"InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)",LISFMEBWQUVKPJ-UHFFFAOYSA-N,C9H7NO,145.16,145.0527638,1.3,29.1,198,0,1,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cinchoninic acid, 2-hydroxy-",15733-89-8,85076,2-oxo-1H-quinoline-4-carboxylic acid,C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)O,"InChI=1S/C10H7NO3/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9/h1-5H,(H,11,12)(H,13,14)",MFSHNFBQNVGXJX-UHFFFAOYSA-N,C10H7NO3,189.17,189.0425931,0.6,66.4,308,0,2,3,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole-2,3-dione, 5-bromo-",87-48-9,6889,"5-bromo-1H-indole-2,3-dione",C1=CC2=C(C=C1Br)C(=O)C(=O)N2,"InChI=1S/C8H4BrNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)",MBVCESWADCIXJN-UHFFFAOYSA-N,C8H4BrNO2,226.03,224.94254,1.3,46.2,241,0,1,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole-2,3-dione, 1-acetyl-",574-17-4,11321,"1-acetylindole-2,3-dione",CC(=O)N1C2=CC=CC=C2C(=O)C1=O,"InChI=1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3",LPGDEHBASRKTDG-UHFFFAOYSA-N,C10H7NO3,189.17,189.0425931,0.4,54.5,310,0,0,3,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole-2,3-dione, 5-methyl-",608-05-9,11840,"5-methyl-1H-indole-2,3-dione",CC1=CC2=C(C=C1)NC(=O)C2=O,"InChI=1S/C9H7NO2/c1-5-2-3-7-6(4-5)8(11)9(12)10-7/h2-4H,1H3,(H,10,11,12)",VAJCSPZKMVQIAP-UHFFFAOYSA-N,C9H7NO2,161.16,161.0476785,1.2,46.2,237,0,1,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole-2,3-dione, 7-methyl-",1127-59-9,14313,"7-methyl-1H-indole-2,3-dione",CC1=C2C(=CC=C1)C(=O)C(=O)N2,"InChI=1S/C9H7NO2/c1-5-3-2-4-6-7(5)10-9(12)8(6)11/h2-4H,1H3,(H,10,11,12)",UEHZKEABUOAZSH-UHFFFAOYSA-N,C9H7NO2,161.16,161.0476785,1.2,46.2,237,0,1,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Indole-2,3-dione, 1-methyl-",2058-74-4,16358,"1-methylindole-2,3-dione",CN1C2=CC=CC=C2C(=O)C1=O,"InChI=1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3",VCYBVWFTGAZHGH-UHFFFAOYSA-N,C9H7NO2,161.16,161.0476785,0.6,37.4,237,0,0,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole-2,3-dione, 5,7-dimethyl-",39603-24-2,38296,"5,7-dimethyl-1H-indole-2,3-dione",CC1=CC(=C2C(=C1)C(=O)C(=O)N2)C,"InChI=1S/C10H9NO2/c1-5-3-6(2)8-7(4-5)9(12)10(13)11-8/h3-4H,1-2H3,(H,11,12,13)",HFZSCCJTJGWTDZ-UHFFFAOYSA-N,C10H9NO2,175.18,175.0633285,1.4,46.2,262,0,1,2,0,13,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Indole-2,3-dione, 5-methoxy-",39755-95-8,38333,"5-methoxy-1H-indole-2,3-dione",COC1=CC2=C(C=C1)NC(=O)C2=O,"InChI=1S/C9H7NO3/c1-13-5-2-3-7-6(4-5)8(11)9(12)10-7/h2-4H,1H3,(H,10,11,12)",DMHGXMPXHPOXBF-UHFFFAOYSA-N,C9H7NO3,177.16,177.0425931,0.6,55.4,251,0,1,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole-2,3-dione, 1-(hydroxymethyl)-",50899-59-7,39834,"1-(hydroxymethyl)indole-2,3-dione",C1=CC=C2C(=C1)C(=O)C(=O)N2CO,"InChI=1S/C9H7NO3/c11-5-10-7-4-2-1-3-6(7)8(12)9(10)13/h1-4,11H,5H2",MHGOPQDELUOKPE-UHFFFAOYSA-N,C9H7NO3,177.16,177.0425931,0.5,57.6,251,0,1,3,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"Indoline-1-acetic acid, 2,3-dioxo-",60705-96-6,43402,"2-(2,3-dioxoindol-1-yl)acetic acid",C1=CC=C2C(=C1)C(=O)C(=O)N2CC(=O)O,"InChI=1S/C10H7NO4/c12-8(13)5-11-7-4-2-1-3-6(7)9(14)10(11)15/h1-4H,5H2,(H,12,13)",KYAMYNWIAQNFEG-UHFFFAOYSA-N,C10H7NO4,205.17,205.0375077,0.2,74.7,325,0,1,4,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ISATIN-5-SULFONIC ACID SODIUM SALT DIHYDRATE,207399-16-4,51003678,"sodium;2,3-dioxo-1H-indole-5-sulfonate;dihydrate",C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C(=O)N2.O.O.[Na+],"InChI=1S/C8H5NO5S.Na.2H2O/c10-7-5-3-4(15(12,13)14)1-2-6(5)9-8(7)11;;;/h1-3H,(H,9,10,11)(H,12,13,14);;2*1H2/q;+1;;/p-1",QOAFLTFHMZZJFP-UHFFFAOYSA-M,C8H8NNaO7S,285.21,284.9919171,,114,415,0,3,7,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole-2,3-dione, 6-methyl-",1128-44-5,583906,"4-methyl-1H-indole-2,3-dione",CC1=C2C(=CC=C1)NC(=O)C2=O,"InChI=1S/C9H7NO2/c1-5-3-2-4-6-7(5)8(11)9(12)10-6/h2-4H,1H3,(H,10,11,12)",KDICASSDSSYKMK-UHFFFAOYSA-N,C9H7NO2,161.16,161.0476785,1.1,46.2,237,0,1,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole-2,3-dione, 5-bromo-1-methyl-",2058-72-2,16357,"5-bromo-1-methylindole-2,3-dione",CN1C2=C(C=C(C=C2)Br)C(=O)C1=O,"InChI=1S/C9H6BrNO2/c1-11-7-3-2-5(10)4-6(7)8(12)9(11)13/h2-4H,1H3",GEEDYJPPYNIZLX-UHFFFAOYSA-N,C9H6BrNO2,240.05,238.95819,1.3,37.4,266,0,0,2,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3H-PYRAZOL-3-ONE, 2,4-DIHYDRO-4-[(2-HYDROXYPHENYL)AZO]-5-METHYL-2-PHENYL-",010010-74-9,111991,4-[(2-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one,CC1=NN(C(=O)C1N=NC2=CC=CC=C2O)C3=CC=CC=C3,"InChI=1S/C16H14N4O2/c1-11-15(18-17-13-9-5-6-10-14(13)21)16(22)20(19-11)12-7-3-2-4-8-12/h2-10,15,21H,1H3",LKMOBUZCNODMQM-UHFFFAOYSA-N,C16H14N4O2,294.31,294.1116757,3,77.6,471,0,1,5,3,22,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 4-[(4,5-DIHYDRO-3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4-YL)AZO]-",030926-22-8,35686,4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoic acid,CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3,"InChI=1S/C17H14N4O3/c1-11-15(16(22)21(20-11)14-5-3-2-4-6-14)19-18-13-9-7-12(8-10-13)17(23)24/h2-10,15H,1H3,(H,23,24)",RCYTWTBFGNSMQC-UHFFFAOYSA-N,C17H14N4O3,322.32,322.1065903,2.8,94.7,546,0,1,6,4,24,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3H-PYRAZOL-3-ONE, 2,4-DIHYDRO-4-[(2-METHOXYPHENYL)AZO]-5-METHYL-2-PHENYL-",004645-07-2,62545,4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one,CC1=NN(C(=O)C1N=NC2=CC=CC=C2OC)C3=CC=CC=C3,"InChI=1S/C17H16N4O2/c1-12-16(19-18-14-10-6-7-11-15(14)23-2)17(22)21(20-12)13-8-4-3-5-9-13/h3-11,16H,1-2H3",UXNFQAZIRFBOKO-UHFFFAOYSA-N,C17H16N4O2,308.33,308.1273258,3.3,66.6,485,0,0,5,4,23,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 4-[4-[[5-[(2-BROMO-1-OXO-2-PROPENYL)AMINO]-2-SULFOPHENYL",070247-70-0,153115,"disodium;4-[4-[[5-(2-bromoprop-2-enoylamino)-2-sulfonatophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-2,5-dichlorobenzenesulfonate",CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)NC(=O)C(=C)Br)S(=O)(=O)[O-])C3=CC(=C(C=C3Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+],"InChI=1S/C19H14BrCl2N5O8S2.2Na/c1-8(20)18(28)23-10-3-4-15(36(30,31)32)13(5-10)24-25-17-9(2)26-27(19(17)29)14-6-12(22)16(7-11(14)21)37(33,34)35;;/h3-7,17H,1H2,2H3,(H,23,28)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2",JVURCOFLRNSPQI-UHFFFAOYSA-L,C19H12BrCl2N5Na2O8S2,699.2,696.84831,,218,1190,0,1,11,5,39,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0
"BENZENESULFONIC ACID, 2,5-DICHLORO-4-[4,5-DIHYDRO-3-METHYL-5-OXO-4-(PHENYLAZO)",006359-97-3,23675340,"sodium 2,5-dichloro-4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonate",CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC(=C(C=C3Cl)S(=O)(=O)[O-])Cl.[Na+],"InChI=1S/C16H12Cl2N4O4S.Na/c1-9-15(20-19-10-5-3-2-4-6-10)16(23)22(21-9)13-7-12(18)14(8-11(13)17)27(24,25)26;/h2-8,15H,1H3,(H,24,25,26);/q;+1/p-1",NFPCJYBCHNUCEQ-UHFFFAOYSA-M,C16H11Cl2N4NaO4S,449.2,447.9775757,,123,739,0,0,7,4,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 4-[4-[[2,5-DIMETHOXY-4-[[2-(SULFOOXY)ETHYL]SULFONYL]PHEN",062121-76-0,162962,"disodium;4-[4-[[2,5-dimethoxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate",CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2OC)S(=O)(=O)CCOS(=O)(=O)[O-])OC)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C20H22N4O12S3.2Na/c1-12-19(20(25)24(23-12)13-4-6-14(7-5-13)38(28,29)30)22-21-15-10-17(35-3)18(11-16(15)34-2)37(26,27)9-8-36-39(31,32)33;;/h4-7,10-11,19H,8-9H2,1-3H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",JDPMQBDNRSLOKS-UHFFFAOYSA-L,C20H20N4Na2O12S3,650.6,650.0035242,,259,1230,0,0,15,9,41,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"1H-PYRAZOLE-3-CARBOXYLIC ACID, 4,5-DIHYDRO-5-OXO-4-[[4-[[2-(SULFOOXY)ETHYL]SUL",085567-10-8,174485,trisodium;5-oxo-4-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate,C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+],"InChI=1S/C18H16N4O12S3.3Na/c23-17-15(16(18(24)25)21-22(17)12-3-7-14(8-4-12)36(28,29)30)20-19-11-1-5-13(6-2-11)35(26,27)10-9-34-37(31,32)33;;;/h1-8,15H,9-10H2,(H,24,25)(H,28,29,30)(H,31,32,33);;;/q;3*+1/p-3",KXTIQKNSPYHWHZ-UHFFFAOYSA-K,C18H13N4Na3O12S3,642.5,641.9385182,,280,1210,0,0,15,7,40,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Methanaminium, N,N,N-trimethyl-, salt with 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-((4-sulfophenyl)azo)-1H-pyrazole-3-carboxylic acid (3:1)",131013-81-5,90469691,5-oxo-1-(4-sulfonatophenyl)-4-[(4-sulfonatophenyl)diazenyl]-4H-pyrazole-3-carboxylate;tris(tetramethylazanium),C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-],"InChI=1S/C16H12N4O9S2.3C4H12N/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;3*1-5(2,3)4/h1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);3*1-4H3/q;3*+1/p-3",WPYDLALKWDHDQN-UHFFFAOYSA-K,C28H45N7O9S2,687.8,687.2720184,,229,968,0,0,12,3,46,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 2-[(4,5-DIHYDRO-3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4-YL)AZO]-",002898-84-2,102900,2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoic acid,CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C3=CC=CC=C3,"InChI=1S/C17H14N4O3/c1-11-15(16(22)21(20-11)12-7-3-2-4-8-12)19-18-14-10-6-5-9-13(14)17(23)24/h2-10,15H,1H3,(H,23,24)",JHMOLDMNRXZOMQ-UHFFFAOYSA-N,C17H14N4O3,322.32,322.1065903,2.8,94.7,554,0,1,6,4,24,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 4-[4,5-DIHYDRO-4-[[2-METHOXY-5-METHYL-4-[[2-(SULFOOXY)ET",062121-75-9,162961,disodium;4-[4-[[2-methoxy-5-methyl-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate,CC1=CC(=C(C=C1S(=O)(=O)CCOS(=O)(=O)[O-])OC)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C.[Na+].[Na+],"InChI=1S/C20H22N4O11S3.2Na/c1-12-10-16(17(34-3)11-18(12)36(26,27)9-8-35-38(31,32)33)21-22-19-13(2)23-24(20(19)25)14-4-6-15(7-5-14)37(28,29)30;;/h4-7,10-11,19H,8-9H2,1-3H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",VMRASBDRVJTOLR-UHFFFAOYSA-L,C20H20N4Na2O11S3,634.6,634.0086096,,250,1220,0,0,14,8,40,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"1,3-DIBROMO-5,5-DIMETHYLHYDANTOIN",000077-48-5,6479,"1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione",CC1(C(=O)N(C(=O)N1Br)Br)C,InChI=1S/C5H6Br2N2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3,VRLDVERQJMEPIF-UHFFFAOYSA-N,C5H6Br2N2O2,285.92,285.87755,1.5,40.6,229,0,0,2,0,11,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-BROMO-3-CHLORO-5,5-DIMETHYLHYDANTOIN",016079-88-2,61828,"1-bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione",CC1(C(=O)N(C(=O)N1Br)Cl)C,InChI=1S/C5H6BrClN2O2/c1-5(2)3(10)8(7)4(11)9(5)6/h1-2H3,PIEXCQIOSMOEOU-UHFFFAOYSA-N,C5H6BrClN2O2,241.47,239.93012,1.3,40.6,231,0,0,2,0,11,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"1-BROMO-3-CHLORO-5,5-DIMETHYLHYDANTOIN",032718-18-6,94439,"5-(bromomethyl)-5-(chloromethyl)imidazolidine-2,4-dione",C(C1(C(=O)NC(=O)N1)CBr)Cl,"InChI=1S/C5H6BrClN2O2/c6-1-5(2-7)3(10)8-4(11)9-5/h1-2H2,(H2,8,9,10,11)",BUUDGFAFKIZPSR-UHFFFAOYSA-N,C5H6BrClN2O2,241.47,239.93012,0.2,58.2,211,0,2,2,2,11,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"1,3-DICHLORO-5,5-DIMETHYLHYDANTOIN",000118-52-5,8360,"1,3-dichloro-5,5-dimethylimidazolidine-2,4-dione",CC1(C(=O)N(C(=O)N1Cl)Cl)C,InChI=1S/C5H6Cl2N2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3,KEQGZUUPPQEDPF-UHFFFAOYSA-N,C5H6Cl2N2O2,197.02,195.9806328,1.1,40.6,229,0,0,2,0,11,"346 °F (NIOSH, 2024)","Sublimes at 212 °F (NTP, 1992)",1,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"1,3-DIIODO-5, 5-DIMETHYLHYDANTOIN",002232-12-4,200534,"1,3-diiodo-5,5-dimethylimidazolidine-2,4-dione",CC1(C(=O)N(C(=O)N1I)I)C,InChI=1S/C5H6I2N2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3,RDZHCKRAHUPIFK-UHFFFAOYSA-N,C5H6I2N2O2,379.92,379.85187,1.3,40.6,229,0,0,2,0,11,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ALLANTOIN,000097-59-6,204,"(2,5-dioxoimidazolidin-4-yl)urea",C1(C(=O)NC(=O)N1)NC(=O)N,"InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)",POJWUDADGALRAB-UHFFFAOYSA-N,C4H6N4O3,158.12,158.0439901,-2.2,113,225,0,4,3,1,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4-IMIDAZOLIDINEDIONE, 1-(HYDROXYMETHYL)-5,5-DIMETHYL-",000116-25-6,67000,"1-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione",CC1(C(=O)NC(=O)N1CO)C,"InChI=1S/C6H10N2O3/c1-6(2)4(10)7-5(11)8(6)3-9/h9H,3H2,1-2H3,(H,7,10,11)",SIQZJFKTROUNPI-UHFFFAOYSA-N,C6H10N2O3,158.16,158.0691422,-0.3,69.6,212,0,2,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"2,4-IMIDAZOLIDINEDIONE, 5-ETHYL-5-METHYL-",005394-36-5,82162,"5-ethyl-5-methylimidazolidine-2,4-dione",CCC1(C(=O)NC(=O)N1)C,"InChI=1S/C6H10N2O2/c1-3-6(2)4(9)7-5(10)8-6/h3H2,1-2H3,(H2,7,8,9,10)",VSJRBQDMBFFHMC-UHFFFAOYSA-N,C6H10N2O2,142.16,142.0742276,0.2,58.2,190,0,2,2,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4-IMIDAZOLIDINEDIONE, 5-[2-(METHYLTHIO)ETHYL]-",013253-44-6,567982,"5-(2-methylsulfanylethyl)imidazolidine-2,4-dione",CSCCC1C(=O)NC(=O)N1,"InChI=1S/C6H10N2O2S/c1-11-3-2-4-5(9)8-6(10)7-4/h4H,2-3H2,1H3,(H2,7,8,9,10)",SBKRXUMXMKBCLD-UHFFFAOYSA-N,C6H10N2O2S,174.22,174.0462987,0,83.5,183,0,2,3,3,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-IMIDAZOLIDINEDIONE, 3-(HYDROXYMETHYL)-5,5-DIMETHYL-",016228-00-5,85341,"3-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione",CC1(C(=O)N(C(=O)N1)CO)C,"InChI=1S/C6H10N2O3/c1-6(2)4(10)8(3-9)5(11)7-6/h9H,3H2,1-2H3,(H,7,11)",IVQCQIORBPXQGP-UHFFFAOYSA-N,C6H10N2O3,158.16,158.0691422,-0.3,69.6,212,0,2,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BIS(HYDROXYMETHYL)-5,5-DIMETHYL-2,4-IMIDAZOLIDINEDIONE",006440-58-0,22947,"1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione",CC1(C(=O)N(C(=O)N1CO)CO)C,"InChI=1S/C7H12N2O4/c1-7(2)5(12)8(3-10)6(13)9(7)4-11/h10-11H,3-4H2,1-2H3",WSDISUOETYTPRL-UHFFFAOYSA-N,C7H12N2O4,188.18,188.0797069,-0.2,81.1,251,0,2,4,2,13,,"198-200 °C, decomposes with boiling",0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0
DIAZOLIDINYL UREA,078491-02-8,62277,"1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea",C(NC(=O)N(CO)C1C(=O)N(C(=O)N1CO)CO)O,"InChI=1S/C8H14N4O7/c13-1-9-7(18)10(2-14)5-6(17)12(4-16)8(19)11(5)3-15/h5,13-16H,1-4H2,(H,9,18)",SOROIESOUPGGFO-UHFFFAOYSA-N,C8H14N4O7,278.22,278.0862488,-2.5,154,376,0,5,7,5,19,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"2,4-IMIDAZOLIDINEDIONE, 1,3-DICHLORO-5-ETHYL-5-METHYL-",089415-87-2,62299,"1,3-dichloro-5-ethyl-5-methylimidazolidine-2,4-dione",CCC1(C(=O)N(C(=O)N1Cl)Cl)C,"InChI=1S/C6H8Cl2N2O2/c1-3-6(2)4(11)9(7)5(12)10(6)8/h3H2,1-2H3",OFTZZDZZNXTWFO-UHFFFAOYSA-N,C6H8Cl2N2O2,211.04,209.9962829,1.7,40.6,246,0,0,2,1,12,,,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"3-BROMO-1-CHLORO-5,5-DIMETHYLHYDANTOIN",000126-06-7,31335,"3-bromo-1-chloro-5,5-dimethylimidazolidine-2,4-dione",CC1(C(=O)N(C(=O)N1Cl)Br)C,InChI=1S/C5H6BrClN2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3,PQRDTUFVDILINV-UHFFFAOYSA-N,C5H6BrClN2O2,241.47,239.93012,1.3,40.6,231,0,0,2,0,11,,,1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"2,4-IMIDAZOLIDINEDIONE, 3-(2-HYDROXYETHYL)-5,5-DIMETHYL-",029071-93-0,99605,"3-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione",CC1(C(=O)N(C(=O)N1)CCO)C,"InChI=1S/C7H12N2O3/c1-7(2)5(11)9(3-4-10)6(12)8-7/h10H,3-4H2,1-2H3,(H,8,12)",PYVLZVPALRXDIK-UHFFFAOYSA-N,C7H12N2O3,172.18,172.0847923,-1,69.6,225,0,2,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FENPROPATHRIN,039515-41-8,47326,"[cyano-(3-phenoxyphenyl)methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate",CC1(C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C,"InChI=1S/C22H23NO3/c1-21(2)19(22(21,3)4)20(24)26-18(14-23)15-9-8-12-17(13-15)25-16-10-6-5-7-11-16/h5-13,18-19H,1-4H3",XQUXKZZNEFRCAW-UHFFFAOYSA-N,C22H23NO3,349.4,349.1677936,5.7,59.3,553,0,0,4,6,26,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOPROPANECARBOXYLIC ACID, 3-(2,2-DIBROMOETHENYL)-2,2-DIMETHYLl-, CYANO(3-PHE",052918-63-5,40585,"trans-[(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate",CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C,"InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1",OWZREIFADZCYQD-NSHGMRRFSA-N,C22H19Br2NO3,505.2,504.97112,6.2,59.3,643,0,0,4,7,28,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
LAMBDACYHALOTRIN,091465-08-6,6440557,"trans-[(R)-cyano-(3-phenoxyphenyl)methyl] (1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate",CC1([C@@H]([C@@H]1C(=O)O[C@@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C(/C(F)(F)F)\Cl)C,"InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m1/s1",ZXQYGBMAQZUVMI-RDDWSQKMSA-N,C23H19ClF3NO3,449.8,449.1005556,6.1,59.3,736,0,0,7,7,31,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CYPERMETHRIN,052315-07-8,2912,"[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate",CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C,"InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3",KAATUXNTWXVJKI-UHFFFAOYSA-N,C22H19Cl2NO3,416.3,415.0741989,6,59.3,643,0,0,4,7,28,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1
TRALOMETHRIN,066841-25-6,48132,"cis-[(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-2,2-dimethyl-3-(1,2,2,2-tetrabromoethyl)cyclopropane-1-carboxylate",CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C(C(Br)(Br)Br)Br)C,"InChI=1S/C22H19Br4NO3/c1-21(2)17(19(23)22(24,25)26)18(21)20(28)30-16(12-27)13-7-6-10-15(11-13)29-14-8-4-3-5-9-14/h3-11,16-19H,1-2H3/t16-,17-,18+,19?/m1/s1",YWSCPYYRJXKUDB-KAKFPZCNSA-N,C22H19Br4NO3,665,664.80575,8,59.3,665,0,0,4,7,30,26 °C,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
PERMETHRIN,052645-53-1,40326,"(3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate",CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C,"InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3",RLLPVAHGXHCWKJ-UHFFFAOYSA-N,C21H20Cl2O3,391.3,390.0789499,6.5,35.5,521,0,0,3,7,26,,>290 °C at 760 mm Hg,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-phenoxyphenyl)methyl ester, (1R-trans)-",26046-85-5,91581,"cis-(3-phenoxyphenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate",CC(=C[C@@H]1[C@H](C1(C)C)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C,"InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3/t20-,21+/m1/s1",SBNFWQZLDJGRLK-RTWAWAEBSA-N,C23H26O3,350.4,350.1881947,6.2,35.5,512,0,0,3,7,26,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, cyano(3-phenoxyphenyl)methyl ester",39515-40-7,38283,"[cyano-(3-phenoxyphenyl)methyl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate",CC(=CC1C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C,"InChI=1S/C24H25NO3/c1-16(2)13-20-22(24(20,3)4)23(26)28-21(15-25)17-9-8-12-19(14-17)27-18-10-6-5-7-11-18/h5-14,20-22H,1-4H3",FJDPATXIBIBRIM-UHFFFAOYSA-N,C24H25NO3,375.5,375.1834437,5.8,59.3,633,0,0,4,7,28,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, (1-alpha(S*),3-alpha)-(+-)-",67375-30-8,93357,"trans-[(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate",CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C,"InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1",KAATUXNTWXVJKI-NSHGMRRFSA-N,C22H19Cl2NO3,416.3,415.0741989,6,59.3,643,0,0,4,7,28,,200 °C @ 0.07 mm Hg,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1
"Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(3-oxo-3-(2,2,2-trifluoro-1-(trifluoromethyl)ethoxy)-1-propenyl)-, cyano(3-phenoxyphenyl)methyl ester, (1R-(1-alpha(S*),3-alpha(Z)))-",101007-06-1,6436606,"trans-[(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate",CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F)C,"InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1",YLFSVIMMRPNPFK-WEQBUNFVSA-N,C26H21F6NO5,541.4,541.1323917,6.8,85.6,917,0,0,12,10,38,,,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopropanecarboxylic acid, 3-((1Z)-2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (1S)-cyano(3-phenoxyphenyl)methyl ester, (1R,3R)-",76703-62-3,6440554,"trans-[(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate",CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C(/C(F)(F)F)\Cl)C,"InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18+,20-/m0/s1",ZXQYGBMAQZUVMI-GCMPRSNUSA-N,C23H19ClF3NO3,449.8,449.1005556,6.1,59.3,736,0,0,7,7,31,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
"1,10-PHENANTHROLINE MONOHYDRATE",005144-89-8,21226,"1,10-phenanthroline;hydrate",C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.O,InChI=1S/C12H8N2.H2O/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8H;1H2,PPQJCISYYXZCAE-UHFFFAOYSA-N,C12H10N2O,198.22,198.0793129,,26.8,182,0,1,3,0,15,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,10-PHENANTHROLIN-5-AMINE",054258-41-2,606970,"1,10-phenanthrolin-5-amine",C1=CC2=CC(=C3C=CC=NC3=C2N=C1)N,"InChI=1S/C12H9N3/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H,13H2",DKPSSMOJHLISJI-UHFFFAOYSA-N,C12H9N3,195.22,195.0796473,1.8,51.8,231,0,1,3,0,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"1,10-PHENANTHROLINE, 5-CHLORO-",004199-89-7,77865,"5-chloro-1,10-phenanthroline",C1=CC2=CC(=C3C=CC=NC3=C2N=C1)Cl,InChI=1S/C12H7ClN2/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H,XDUUQOQFSWSZSM-UHFFFAOYSA-N,C12H7ClN2,214.65,214.0297759,3.1,25.8,234,0,0,2,0,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,10-PHENANTHROLINE, 5-BROMO-",040000-20-2,148335,"5-bromo-1,10-phenanthroline",C1=CC2=CC(=C3C=CC=NC3=C2N=C1)Br,InChI=1S/C12H7BrN2/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H,GWKGPQCKIBRXGW-UHFFFAOYSA-N,C12H7BrN2,259.1,257.97926,3.1,25.8,234,0,0,2,0,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,10-PHENANTHROLINE, 5-METHYL-",003002-78-6,72791,"5-methyl-1,10-phenanthroline",CC1=CC2=C(C3=C1C=CC=N3)N=CC=C2,"InChI=1S/C13H10N2/c1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13/h2-8H,1H3",UJAQYOZROIFQHO-UHFFFAOYSA-N,C13H10N2,194.23,194.0843983,2.8,25.8,229,0,0,2,0,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,10-PHENANTHROLINE, 4,7-DIMETHYL-",003248-05-3,72792,"4,7-dimethyl-1,10-phenanthroline",CC1=C2C=CC3=C(C=CN=C3C2=NC=C1)C,"InChI=1S/C14H12N2/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h3-8H,1-2H3",JIVLDFFWTQYGSR-UHFFFAOYSA-N,C14H12N2,208.26,208.1000484,3.2,25.8,227,0,0,2,0,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,10-PHENANTHROLINE, 4-METHYL-",031301-28-7,93149,"4-methyl-1,10-phenanthroline",CC1=C2C=CC3=C(C2=NC=C1)N=CC=C3,"InChI=1S/C13H10N2/c1-9-6-8-15-13-11(9)5-4-10-3-2-7-14-12(10)13/h2-8H,1H3",NAZZKEZTSOOCSZ-UHFFFAOYSA-N,C13H10N2,194.23,194.0843983,2.1,25.8,229,0,0,2,0,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NEOCUPROINE,000484-11-7,65237,"2,9-dimethyl-1,10-phenanthroline",CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C,"InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3",IYRGXJIJGHOCFS-UHFFFAOYSA-N,C14H12N2,208.26,208.1000484,3.3,25.8,227,0,0,2,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,10-PHENANTHROLINE-2,9-DICARBOXYLIC ACID",057709-61-2,7567134,"1,10-phenanthroline-2,9-dicarboxylic acid",C1=CC2=C(C3=C1C=CC(=N3)C(=O)O)N=C(C=C2)C(=O)O,"InChI=1S/C14H8N2O4/c17-13(18)9-5-3-7-1-2-8-4-6-10(14(19)20)16-12(8)11(7)15-9/h1-6H,(H,17,18)(H,19,20)",FXSVCROWUPWXBP-UHFFFAOYSA-N,C14H8N2O4,268.22,268.0484067,2.2,100,376,0,2,6,2,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,10-PHENANTHROLINE, 5-NITRO-",004199-88-6,72790,"5-nitro-1,10-phenanthroline",C1=CC2=CC(=C3C=CC=NC3=C2N=C1)[N+](=O)[O-],InChI=1S/C12H7N3O2/c16-15(17)10-7-8-3-1-5-13-11(8)12-9(10)4-2-6-14-12/h1-7H,PDDBTWXLNJNICS-UHFFFAOYSA-N,C12H7N3O2,225.2,225.0538265,2.3,71.6,305,0,0,4,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,8-DIBROMO-1,10-PHENANTHROLINE",0100125-12-0,10991348,"3,8-dibromo-1,10-phenanthroline",C1=CC2=CC(=CN=C2C3=NC=C(C=C31)Br)Br,InChI=1S/C12H6Br2N2/c13-9-3-7-1-2-8-4-10(14)6-16-12(8)11(7)15-5-9/h1-6H,IDWJREBUVYSPKS-UHFFFAOYSA-N,C12H6Br2N2,338,337.88772,3.8,25.8,235,0,0,2,0,16,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4,7,8-TETRAMETHYL-1,10-PHENANTHROLINE",001660-93-1,74265,"3,4,7,8-tetramethyl-1,10-phenanthroline",CC1=CN=C2C(=C1C)C=CC3=C(C(=CN=C32)C)C,"InChI=1S/C16H16N2/c1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15/h5-8H,1-4H3",NPAXPTHCUCUHPT-UHFFFAOYSA-N,C16H16N2,236.31,236.1313485,3.9,25.8,273,0,0,2,0,18,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NEOCUPROINE HYDROCHLORIDE,007296-20-0,81718,"2,9-dimethyl-1,10-phenanthroline;hydrochloride",CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.Cl,"InChI=1S/C14H12N2.ClH/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;/h3-8H,1-2H3;1H",QUGBNSJLQDNNPK-UHFFFAOYSA-N,C14H13ClN2,244.72,244.0767261,,25.8,227,0,1,2,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperazine, 1-(diphenylmethyl)-4-methyl-",000082-92-8,6726,1-benzhydryl-4-methylpiperazine,CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C18H22N2/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3",UVKZSORBKUEBAZ-UHFFFAOYSA-N,C18H22N2,266.4,266.1782987,3.6,6.5,253,0,0,2,3,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CHLORCYCLIZINE HYDROCHLORIDE,001620-21-9,62413,1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine;hydrochloride,CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl,"InChI=1S/C18H21ClN2.ClH/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16;/h2-10,18H,11-14H2,1H3;1H",MSIJLVMSKDXAQN-UHFFFAOYSA-N,C18H22Cl2N2,337.3,336.1160041,,6.5,300,0,1,2,3,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Ethanol, 2-(2-(4-(p-chloro-alpha-phenylbenzyl)-1-piperazinyl)ethoxy)-",000068-88-2,3658,2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol,C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl,"InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2",ZQDWXGKKHFNSQK-UHFFFAOYSA-N,C21H27ClN2O2,374.9,374.1761058,3.7,35.9,376,0,1,4,8,26,,220 °C at 0.5 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0,0,1,1
"Acetic acid, (2-(4-((4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)-, dihy",083881-52-1,55182,2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid;dihydrochloride,C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl,"InChI=1S/C21H25ClN2O3.2ClH/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26;;/h1-9,21H,10-16H2,(H,25,26);2*1H",PGLIUCLTXOYQMV-UHFFFAOYSA-N,C21H27Cl3N2O3,461.8,460.108726,,53,443,0,3,5,8,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0
"Piperazine, 1-(p-chloro-alpha-phenylbenzyl)-",000303-26-4,9340,1-[(4-chlorophenyl)-phenylmethyl]piperazine,C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl,"InChI=1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2",UZKBSZSTDQSMDR-UHFFFAOYSA-N,C17H19ClN2,286.8,286.1236763,3.4,15.3,277,0,1,2,3,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"Piperazine, 1-(diphenylmethyl)-",841-77-0,70048,1-benzhydrylpiperazine,C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C17H20N2/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19/h1-10,17-18H,11-14H2",NWVNXDKZIQLBNM-UHFFFAOYSA-N,C17H20N2,252.35,252.1626486,2.8,15.3,230,0,1,2,3,19,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, (2-(4-((4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)-",83881-51-0,2678,2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid,C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl,"InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)",ZKLPARSLTMPFCP-UHFFFAOYSA-N,C21H25ClN2O3,388.9,388.1553704,1.7,53,443,0,1,5,8,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, (2-(2-(4-((4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)ethoxy)-,dihydrochloride",83881-56-5,3068853,2-[2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]acetic acid;dihydrochloride,C1CN(CCN1CCOCCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl,"InChI=1S/C23H29ClN2O4.2ClH/c24-21-8-6-20(7-9-21)23(19-4-2-1-3-5-19)26-12-10-25(11-13-26)14-15-29-16-17-30-18-22(27)28;;/h1-9,23H,10-18H2,(H,27,28);2*1H",ZLLSILIWIOEGTJ-UHFFFAOYSA-N,C23H31Cl3N2O4,505.9,504.134941,,62.2,488,0,3,6,11,32,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, (2-(4-((R)-(4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)-, dihydrochloride",130018-87-0,9955977,2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid;dihydrochloride,C1CN(CCN1CCOCC(=O)O)[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl,"InChI=1S/C21H25ClN2O3.2ClH/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26;;/h1-9,21H,10-16H2,(H,25,26);2*1H/t21-;;/m1../s1",PGLIUCLTXOYQMV-GHVWMZMZSA-N,C21H27Cl3N2O3,461.8,460.108726,,53,443,0,3,5,8,29,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, (2-(2-(4-(diphenylmethyl)-1-piperazinyl)ethoxy)ethoxy)-, dihydrochloride",,3068852,2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]acetic acid;dihydrochloride,C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl.Cl,"InChI=1S/C21H26N2O3.2ClH/c24-20(25)17-26-16-15-22-11-13-23(14-12-22)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19;;/h1-10,21H,11-17H2,(H,24,25);2*1H",KODBQWPTPNAKJM-UHFFFAOYSA-N,C21H28Cl2N2O3,427.4,426.1476981,,53,393,0,3,5,8,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperazine, 1-(diphenylmethyl)-4-methyl-, hydrochloride",000303-25-3,6420019,1-benzhydryl-4-methylpiperazine;hydrochloride,CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl,"InChI=1S/C18H22N2.ClH/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18H,12-15H2,1H3;1H",UKPBEPCQTDRZSE-UHFFFAOYSA-N,C18H23ClN2,302.8,302.1549764,,6.5,253,0,1,2,3,21,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Piperazine, 1-(p-chloro-alpha-phenylbenzyl)-4-methyl-",000082-93-9,2710,1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine,CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl,"InChI=1S/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3",WFNAKBGANONZEQ-UHFFFAOYSA-N,C18H21ClN2,300.8,300.1393264,4.5,6.5,300,0,0,2,3,21,No Data,137-145 °C @ 0.1-0.15 MM HG,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanol, 2-(2-(4-(diphenylmethyl)-1-piperazinyl)ethoxy)-, dihydrochloride",13073-96-6,83104,2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]ethanol;dihydrochloride,C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl.Cl,"InChI=1S/C21H28N2O2.2ClH/c24-16-18-25-17-15-22-11-13-23(14-12-22)21(19-7-3-1-4-8-19)20-9-5-2-6-10-20;;/h1-10,21,24H,11-18H2;2*1H",RBSDUJACXBVDDN-UHFFFAOYSA-N,C21H30Cl2N2O2,413.4,412.1684336,,35.9,328,0,3,4,8,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, 2-(2-(4-((4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)-",83881-37-2,3068840,2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide,C1CN(CCN1CCOCC(=O)N)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl,"InChI=1S/C21H26ClN3O2/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)25-12-10-24(11-13-25)14-15-27-16-20(23)26/h1-9,21H,10-16H2,(H2,23,26)",LVJDQBJDVOYDLA-UHFFFAOYSA-N,C21H26ClN3O2,387.9,387.1713548,3.3,58.8,443,0,1,4,8,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, (2-(4-(diphenylmethyl)-1-piperazinyl)ethoxy)-",83881-53-2,3068851,2-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]acetic acid,C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C21H26N2O3/c24-20(25)17-26-16-15-22-11-13-23(14-12-22)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,21H,11-17H2,(H,24,25)",PCSREFRBRMMIHJ-UHFFFAOYSA-N,C21H26N2O3,354.4,354.1943427,1.1,53,393,0,1,5,8,26,,,1,1,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,1
"XANTHYLIUM, 3,6-BIS(DIETHYLAMINO)-9-[2-(ETHOXYCARBONYL)PHENYL]-, CHLORIDE",002390-63-8,61308,[6-(diethylamino)-9-(2-ethoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium chloride,CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)OCC.[Cl-],"InChI=1S/C30H35N2O3.ClH/c1-6-31(7-2)21-15-17-25-27(19-21)35-28-20-22(32(8-3)9-4)16-18-26(28)29(25)23-13-11-12-14-24(23)30(33)34-10-5;/h11-20H,6-10H2,1-5H3;1H/q+1;/p-1",UOKMUTMXUMSRKM-UHFFFAOYSA-M,C30H35ClN2O3,507.1,506.2336207,,41.8,841,0,0,5,9,36,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
RHODAMINE B,000081-88-9,6694,[9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium chloride,CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.[Cl-],"InChI=1S/C28H30N2O3.ClH/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;/h9-18H,5-8H2,1-4H3;1H",PYWVYCXTNDRMGF-UHFFFAOYSA-N,C28H31ClN2O3,479,478.2023205,,52.8,811,0,1,5,7,34,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
LISSAMINE RHODAMINE B SULFONYL CHLORIDE,062796-29-6,65223,5-chlorosulfonyl-2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzenesulfonate,CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)Cl)S(=O)(=O)[O-],"InChI=1S/C27H29ClN2O6S2/c1-5-29(6-2)18-9-12-21-24(15-18)36-25-16-19(30(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(28,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3",YERWMQJEYUIJBO-UHFFFAOYSA-N,C27H29ClN2O6S2,577.1,576.1155567,3.5,124,1170,0,0,7,7,38,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LISSAMINE RHODAMINE B SULFONYL FLUORIDE,098806-82-7,4278779,4-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-3-fluorosulfonylbenzenesulfonate,CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)F,"InChI=1S/C27H29FN2O6S2/c1-5-29(6-2)18-9-12-21-24(15-18)36-25-16-19(30(7-3)8-4)10-13-22(25)27(21)23-14-11-20(38(33,34)35)17-26(23)37(28,31)32/h9-17H,5-8H2,1-4H3",OVVHIVNJSALABS-UHFFFAOYSA-N,C27H29FN2O6S2,560.7,560.1451072,3.3,124,1170,0,0,8,7,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OCTADECYL RHODAMINE B, CHLORIDE SALT",065603-19-2,65232,[6-(diethylamino)-9-(2-octadecoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium chloride,CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C2=C3C=CC(=[N+](CC)CC)C=C3OC4=C2C=CC(=C4)N(CC)CC.[Cl-],"InChI=1S/C46H67N2O3.ClH/c1-6-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-34-50-46(49)40-29-26-25-28-39(40)45-41-32-30-37(47(7-2)8-3)35-43(41)51-44-36-38(31-33-42(44)45)48(9-4)10-5;/h25-26,28-33,35-36H,6-24,27,34H2,1-5H3;1H/q+1;/p-1",NFGODEMQGQNUKK-UHFFFAOYSA-M,C46H67ClN2O3,731.5,730.4840217,,41.8,1090,0,0,5,25,52,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"TETRAMETHYLRHODAMINE, METHYL ESTER, PERCHLORATE",115532-50-8,11755725,[6-(dimethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-dimethylazanium perchlorate,CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=CC=CC=C4C(=O)OC.[O-]Cl(=O)(=O)=O,"InChI=1S/C25H25N2O3.ClHO4/c1-26(2)16-10-12-20-22(14-16)30-23-15-17(27(3)4)11-13-21(23)24(20)18-8-6-7-9-19(18)25(28)29-5;2-1(3,4)5/h6-15H,1-5H3;(H,2,3,4,5)/q+1;/p-1",PFYWPQMAWCYNGW-UHFFFAOYSA-M,C25H25ClN2O7,500.9,500.1350288,,116,868,0,0,8,4,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"XANTHYLIUM, 9-(2,4-DICARBOXYPHENYL)-3,6-BIS(DIETHYLAMINO)-, INNER SALT, SODIUM",065392-81-6,65231,"sodium 4-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzene-1,3-dicarboxylate",CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)C(=O)[O-])C(=O)[O-].[Na+],"InChI=1S/C29H30N2O5.Na/c1-5-30(6-2)19-10-13-22-25(16-19)36-26-17-20(31(7-3)8-4)11-14-23(26)27(22)21-12-9-18(28(32)33)15-24(21)29(34)35;/h9-17H,5-8H2,1-4H3,(H-,32,33,34,35);/q;+1/p-1",QSDRVNJWBDNNPE-UHFFFAOYSA-M,C29H29N2NaO5,508.5,508.1974163,,95.7,925,0,0,6,6,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"9-(2,5-DICARBOXYPHENYL)-3,6-BIS(DIETHYLAMINO)XANTHYLIUM, INNER SALT, SODIUM",075701-30-3,23716983,sodium 4-carboxy-2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzoate,CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=CC(=C4)C(=O)O)C(=O)[O-].[Na+],"InChI=1S/C29H30N2O5.Na/c1-5-30(6-2)19-10-13-22-25(16-19)36-26-17-20(31(7-3)8-4)11-14-23(26)27(22)24-15-18(28(32)33)9-12-21(24)29(34)35;/h9-17H,5-8H2,1-4H3,(H-,32,33,34,35);/q;+1",HRSPOERCBDCOBW-UHFFFAOYSA-N,C29H30N2NaO5+,509.5,509.2052413,,92.9,942,1,1,6,8,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"6-TAMRA, SE",136977-42-9,2762604,4-carboxy-3-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate,CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=CC(=C4)C(=O)[O-])C(=O)O,"InChI=1S/C25H22N2O5/c1-26(2)15-6-9-18-21(12-15)32-22-13-16(27(3)4)7-10-19(22)23(18)20-11-14(24(28)29)5-8-17(20)25(30)31/h5-13H,1-4H3,(H-,28,29,30,31)",COCMHKNAGZHBDZ-UHFFFAOYSA-N,C25H22N2O5,430.5,430.1528718,3.2,92.9,875,0,1,6,3,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"XANTHYLIUM, 9-(2-CARBOXYPHENYL)-3,6-BIS(DIETHYLAMINO)-, MOLYBDATESILICATE",062973-79-9,6454492,[9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium;dihydroxy(dioxo)molybdenum;hydroxy-oxido-oxosilane,CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.O[Si](=O)[O-].O[Mo](=O)(=O)O,"InChI=1S/C28H30N2O3.Mo.HO3Si.2H2O.2O/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;;1-4(2)3;;;;/h9-18H,5-8H2,1-4H3;;1H;2*1H2;;/q;+2;-1;;;;/p-1",SCSPRONKBXNQJJ-UHFFFAOYSA-M,C28H34MoN2O10Si,682.6,684.103675,,188,917,0,4,11,7,42,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"XANTHYLIUM, 9-(2-CARBOXYPHENYL)-3,6-BIS(DIETHYLAMINO)-, ACETATE",064381-99-3,65230,[9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium acetate,CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.CC(=O)[O-],"InChI=1S/C28H30N2O3.C2H4O2/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;1-2(3)4/h9-18H,5-8H2,1-4H3;1H3,(H,3,4)",RWYDZCISLBOUMH-UHFFFAOYSA-N,C30H34N2O5,502.6,502.2467722,,92.9,836,0,1,6,7,37,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"TETRAMETHYLRHODAMINE ISOTHIOCYANATE, ISOMER R",080724-20-5,4123009,2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-4-isothiocyanatobenzoate,CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=CC(=C4)N=C=S)C(=O)[O-],"InChI=1S/C25H21N3O3S/c1-27(2)16-6-9-19-22(12-16)31-23-13-17(28(3)4)7-10-20(23)24(19)21-11-15(26-14-32)5-8-18(21)25(29)30/h5-13H,1-4H3",OBYNJKLOYWCXEP-UHFFFAOYSA-N,C25H21N3O3S,443.5,443.1303627,5.1,100,904,0,0,6,3,32,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
RHODAMINE B AMINE,100992-88-9,44134926,[9-(4-amino-2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium chloride,CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)N)C(=O)O.[Cl-],"InChI=1S/C28H31N3O3.ClH/c1-5-30(6-2)19-10-13-22-25(16-19)34-26-17-20(31(7-3)8-4)11-14-23(26)27(22)21-12-9-18(29)15-24(21)28(32)33;/h9-17,29H,5-8H2,1-4H3,(H,32,33);1H",KHPKXARDVYLOSQ-UHFFFAOYSA-N,C28H32ClN3O3,494,493.2132196,,78.8,845,0,2,6,7,35,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"XANTHYLIUM, 9-(2-CARBOXYPHENYL)-3,6-BIS(DIETHYLAMINO)-, OCTADECANOATE",006373-07-5,61398,[9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium;octadecanoate,CCCCCCCCCCCCCCCCCC(=O)[O-].CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O,"InChI=1S/C28H30N2O3.C18H36O2/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-18H,5-8H2,1-4H3;2-17H2,1H3,(H,19,20)",CELKVAQKCIJCLK-UHFFFAOYSA-N,C46H66N2O5,727,726.4971732,,92.9,1010,0,1,6,22,53,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-DIMETHYL-1,2-BENZANTHRACENE",000057-97-6,6001,"7,12-dimethylbenzo[a]anthracene",CC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C14)C,"InChI=1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3",ARSRBNBHOADGJU-UHFFFAOYSA-N,C20H16,256.3,256.1252005,5.8,0,346,0,0,0,0,20,"187 °F (NTP, 1992)",,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-METHYLBENZ(A)ANTHRACENE,000316-49-4,39397,4-methylbenzo[a]anthracene,CC1=C2C=CC3=CC4=CC=CC=C4C=C3C2=CC=C1,"InChI=1S/C19H14/c1-13-5-4-8-18-17(13)10-9-16-11-14-6-2-3-7-15(14)12-19(16)18/h2-12H,1H3",VXYNNEYZRYFXBG-UHFFFAOYSA-N,C19H14,242.3,242.1095504,6.3,0,320,0,0,0,0,19,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
5-METHYLBENZ(A)ANTHRACENE,002319-96-2,75348,5-methylbenzo[a]anthracene,CC1=CC2=CC3=CC=CC=C3C=C2C4=CC=CC=C14,"InChI=1S/C19H14/c1-13-10-16-11-14-6-2-3-7-15(14)12-19(16)18-9-5-4-8-17(13)18/h2-12H,1H3",NYTXDSVUTXAPTH-UHFFFAOYSA-N,C19H14,242.3,242.1095504,5.8,0,320,0,0,0,0,19,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
6-METHYLBENZ(A)ANTHRACENE,000316-14-3,9422,6-methylbenzo[a]anthracene,CC1=CC2=CC=CC=C2C3=CC4=CC=CC=C4C=C13,"InChI=1S/C19H14/c1-13-10-16-8-4-5-9-17(16)19-12-15-7-3-2-6-14(15)11-18(13)19/h2-12H,1H3",WOIBRJNTTODOPT-UHFFFAOYSA-N,C19H14,242.3,242.1095504,5.8,0,320,0,0,0,0,19,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
7-METHYLBENZ(A)ANTHRACENE,002541-69-7,17347,7-methylbenzo[a]anthracene,CC1=C2C=CC3=CC=CC=C3C2=CC4=CC=CC=C14,"InChI=1S/C19H14/c1-13-16-8-4-3-7-15(16)12-19-17(13)11-10-14-6-2-5-9-18(14)19/h2-12H,1H3",DIIFUCUPDHMNIV-UHFFFAOYSA-N,C19H14,242.3,242.1095504,6.3,0,320,0,0,0,0,19,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-BENZANTHRACENE-D12",001718-53-2,12279531,"1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriobenzo[a]anthracene",[2H]C1=C(C(=C2C(=C1[2H])C(=C(C3=C(C4=C(C(=C(C(=C4C(=C32)[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H],"InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D",DXBHBZVCASKNBY-AQZSQYOVSA-N,C18H12,240.4,240.1692213,5.8,0,294,0,0,0,0,18,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-BENZANTHRACENE",000056-55-3,5954,benzo[a]anthracene,C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32,InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H,DXBHBZVCASKNBY-UHFFFAOYSA-N,C18H12,228.3,228.0939004,5.8,0,294,0,0,0,0,18,,"815 °F at 760 mmHg (sublimes) (NTP, 1992)",1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
1-METHYLBENZ(A)ANTHRACENE,002498-77-3,17256,1-methylbenzo[a]anthracene,CC1=C2C(=CC=C1)C=CC3=CC4=CC=CC=C4C=C32,"InChI=1S/C19H14/c1-13-5-4-8-14-9-10-17-11-15-6-2-3-7-16(15)12-18(17)19(13)14/h2-12H,1H3",MWMBCXXTFFHALK-UHFFFAOYSA-N,C19H14,242.3,242.1095504,6.3,0,320,0,0,0,0,19,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
3-METHYLBENZ(A)ANTHRACENE,002498-75-1,17254,3-methylbenzo[a]anthracene,CC1=CC2=C(C=C1)C3=CC4=CC=CC=C4C=C3C=C2,"InChI=1S/C19H14/c1-13-6-9-18-16(10-13)7-8-17-11-14-4-2-3-5-15(14)12-19(17)18/h2-12H,1H3",VYZKVUIQCRWXJH-UHFFFAOYSA-N,C19H14,242.3,242.1095504,6.4,0,320,0,0,0,0,19,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
9-METHYLBENZ(A)ANTHRACENE,002381-16-0,16930,9-methylbenzo[a]anthracene,CC1=CC2=C(C=C1)C=C3C(=C2)C=CC4=CC=CC=C43,"InChI=1S/C19H14/c1-13-6-7-15-12-19-16(11-17(15)10-13)9-8-14-4-2-3-5-18(14)19/h2-12H,1H3",KYJPMPXTXCFCRM-UHFFFAOYSA-N,C19H14,242.3,242.1095504,6.4,0,320,0,0,0,0,19,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benz(a)anthracene, 7-chloromethyl-",6325-54-8,95722,7-(chloromethyl)benzo[a]anthracene,C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)CCl,"InChI=1S/C19H13Cl/c20-12-19-16-8-4-2-6-14(16)11-18-15-7-3-1-5-13(15)9-10-17(18)19/h1-11H,12H2",KUEKYPPUOKZVFM-UHFFFAOYSA-N,C19H13Cl,276.8,276.0705781,5.5,0,339,0,0,0,1,20,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1
"Benz(a)anthracene, 7-(chloromethyl)-12-methyl-",13345-62-5,83362,7-(chloromethyl)-12-methylbenzo[a]anthracene,CC1=C2C(=C(C3=CC=CC=C13)CCl)C=CC4=CC=CC=C42,"InChI=1S/C20H15Cl/c1-13-15-7-4-5-9-17(15)19(12-21)18-11-10-14-6-2-3-8-16(14)20(13)18/h2-11H,12H2,1H3",IKWYHKBBMXJHNN-UHFFFAOYSA-N,C20H15Cl,290.8,290.0862282,5.8,0,365,0,0,0,1,21,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1
"Benz(a)anthracene, 7-bromo-",32795-84-9,72849,7-bromobenzo[a]anthracene,C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)Br,InChI=1S/C18H11Br/c19-18-15-8-4-2-6-13(15)11-17-14-7-3-1-5-12(14)9-10-16(17)18/h1-11H,LGRNWCDRODWMOH-UHFFFAOYSA-N,C18H11Br,307.2,306.00441,6.4,0,326,0,0,0,0,19,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"6,8-DIMETHYLBENZ(A)ANTHRACENE",000317-64-6,67570,"6,8-dimethylbenzo[a]anthracene",CC1=C2C=C3C(=CC4=CC=CC=C4C3=CC2=CC=C1)C,"InChI=1S/C20H16/c1-13-6-5-8-16-11-20-17-9-4-3-7-15(17)10-14(2)19(20)12-18(13)16/h3-12H,1-2H3",OVSHSQPYUKVYOB-UHFFFAOYSA-N,C20H16,256.3,256.1252005,6.1,0,346,0,0,0,0,20,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
10-METHYLBENZ(A)ANTHRACENE,002381-15-9,16929,10-methylbenzo[a]anthracene,CC1=CC2=CC3=C(C=CC4=CC=CC=C43)C=C2C=C1,"InChI=1S/C19H14/c1-13-6-7-15-11-16-9-8-14-4-2-3-5-18(14)19(16)12-17(15)10-13/h2-12H,1H3",WUMGYHICFXGLAB-UHFFFAOYSA-N,C19H14,242.3,242.1095504,6.4,0,320,0,0,0,0,19,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benz(a)anthracene, 8-methyl-",2381-31-9,16933,8-methylbenzo[a]anthracene,CC1=C2C=C3C=CC4=CC=CC=C4C3=CC2=CC=C1,"InChI=1S/C19H14/c1-13-5-4-7-15-12-19-16(11-18(13)15)10-9-14-6-2-3-8-17(14)19/h2-12H,1H3",IJGWKTGQVIDRLA-UHFFFAOYSA-N,C19H14,242.3,242.1095504,6.3,0,320,0,0,0,0,19,,BP: 272 °C at 3 mm Hg,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-METHYLPHENANTHRENE,002531-84-2,17321,2-methylphenanthrene,CC1=CC2=C(C=C1)C3=CC=CC=C3C=C2,"InChI=1S/C15H12/c1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15/h2-10H,1H3",KANLOADZXMMCQA-UHFFFAOYSA-N,C15H12,192.25,192.0939004,5.2,0,220,0,0,0,0,15,,"311 to 320 °F at 3 mmHg (NTP, 1992)",1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
9-CYANOPHENANTHRENE,002510-55-6,17279,phenanthrene-9-carbonitrile,C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C#N,InChI=1S/C15H9N/c16-10-12-9-11-5-1-2-6-13(11)15-8-4-3-7-14(12)15/h1-9H,CWFIYYOQYVYBPW-UHFFFAOYSA-N,C15H9N,203.24,203.0734993,4.1,23.8,300,0,0,1,0,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHENANTHRENE-D10,001517-22-2,519070,"1,2,3,4,5,6,7,8,9,10-decadeuteriophenanthrene",[2H]C1=C(C(=C2C(=C1[2H])C(=C(C3=C(C(=C(C(=C32)[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H],"InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D",YNPNZTXNASCQKK-LHNTUAQVSA-N,C14H10,188.29,188.1410178,4.5,0,174,0,0,0,0,14,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
9-PHENANTHROL,000484-17-3,10229,phenanthren-9-ol,C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)O,"InChI=1S/C14H10O/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,15H",DZKIUEHLEXLYKM-UHFFFAOYSA-N,C14H10O,194.23,194.0731649,3.6,20.2,225,0,1,1,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
9-Ethynylphenanthrene,032870-98-7,182098,9-ethynylphenanthrene,C#CC1=CC2=CC=CC=C2C3=CC=CC=C31,"InChI=1S/C16H10/c1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16/h1,3-11H",FMKVRRYQWWPOAL-UHFFFAOYSA-N,C16H10,202.25,202.0782503,4.7,0,294,0,0,0,1,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"3,6-DIMETHYLPHENANTHRENE",001576-67-6,15304,"3,6-dimethylphenanthrene",CC1=CC2=C(C=C1)C=CC3=C2C=C(C=C3)C,"InChI=1S/C16H14/c1-11-3-5-13-7-8-14-6-4-12(2)10-16(14)15(13)9-11/h3-10H,1-2H3",OMIBPZBOAJFEJS-UHFFFAOYSA-N,C16H14,206.28,206.1095504,5.5,0,218,0,0,0,0,16,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
2-Phenanthrylamine,3366-65-2,76893,phenanthren-2-amine,C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)N,"InChI=1S/C14H11N/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9H,15H2",ZEAWSFHWVLOENK-UHFFFAOYSA-N,C14H11N,193.24,193.0891494,3.5,26,225,0,1,1,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-Phenanthrenecarboxylic acid,7470-14-6,24056,phenanthrene-3-carboxylic acid,C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)C(=O)O,"InChI=1S/C15H10O2/c16-15(17)12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9H,(H,16,17)",WYQIVZKSGGKUAX-UHFFFAOYSA-N,C15H10O2,222.24,222.0680796,4.5,37.3,299,0,1,2,1,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-Phenanthrenecarboxylic acid, 1,2,3,4-tetrahydro-1-ethyl-7-hydroxy-2-methyl-, cis-(+-)-",15372-38-0,13234903,phenanthrene-2-carboxylic acid,C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C(=O)O,"InChI=1S/C15H10O2/c16-15(17)12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9H,(H,16,17)",QTWYUOSZMIWHJV-UHFFFAOYSA-N,C15H10O2,222.24,222.0680796,4.5,37.3,299,0,1,2,1,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
PHENANTHRENE,000085-01-8,995,phenanthrene,C1=CC=C2C(=C1)C=CC3=CC=CC=C32,InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H,YNPNZTXNASCQKK-UHFFFAOYSA-N,C14H10,178.23,178.0782503,4.5,0,174,0,0,0,0,14,"340 °F (NTP, 1992)","642 °F at 760 mmHg (NTP, 1992)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
1-METHYLPHENANTHRENE,000832-69-9,13257,1-methylphenanthrene,CC1=C2C=CC3=CC=CC=C3C2=CC=C1,"InChI=1S/C15H12/c1-11-5-4-8-15-13(11)10-9-12-6-2-3-7-14(12)15/h2-10H,1H3",DOWJXOHBNXRUOD-UHFFFAOYSA-N,C15H12,192.25,192.0939004,5.1,0,220,0,0,0,0,15,,,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-DIAMINOPHENANTHRENE",053348-04-2,96564,"phenanthrene-9,10-diamine",C1=CC=C2C(=C1)C3=CC=CC=C3C(=C2N)N,"InChI=1S/C14H12N2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H,15-16H2",VPRFQZSTJXHBHL-UHFFFAOYSA-N,C14H12N2,208.26,208.1000484,3.1,52,227,0,2,2,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
9-BROMOPHENANTHRENE,000573-17-1,11309,9-bromophenanthrene,C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)Br,InChI=1S/C14H9Br/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H,RSQXKVWKJVUZDG-UHFFFAOYSA-N,C14H9Br,257.12,255.98876,5.1,0,225,0,0,0,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9-Phenanthrenemethanol, 1,3-dichloro-alpha-(2-(dibutylamino)ethyl)-6-(trifluor",036167-63-2,37392,"3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol;hydrochloride",CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O.Cl,"InChI=1S/C26H30Cl2F3NO.ClH/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23;/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3;1H",WANGFTDWOFGECH-UHFFFAOYSA-N,C26H31Cl3F3NO,536.9,535.142332,,23.5,584,0,2,5,10,34,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
FLAVANONE,000487-26-3,10251,"2-phenyl-2,3-dihydrochromen-4-one",C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3,"InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2",ZONYXWQDUYMKFB-UHFFFAOYSA-N,C15H12O2,224.25,224.0837296,3.2,26.3,281,0,0,2,1,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3',4',5,7-PENTAHYDROXYFLAVANONE",000480-18-2,439533,"(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one",C1=CC(=C(C=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1",CXQWRCVTCMQVQX-LSDHHAIUSA-N,C15H12O7,304.25,304.0583027,1.5,127,428,0,5,7,1,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(2R,3R)-2,3-DIHYDRO-3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE",000480-20-6,122850,"(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one",C1=CC(=CC=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1",PADQINQHPQKXNL-LSDHHAIUSA-N,C15H12O6,288.25,288.0633881,1.8,107,392,0,4,6,1,21,,638.00 to 639.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SAKURANETIN,000520-29-6,348130,"5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one",COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3",DJOJDHGQRNZXQQ-UHFFFAOYSA-N,C16H14O5,286.28,286.0841235,2.7,76,377,0,2,5,2,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PINOSTROBIN,000480-37-5,73201,"(2S)-5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one",COC1=CC(=C2C(=O)C[C@H](OC2=C1)C3=CC=CC=C3)O,"InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m0/s1",ORJDDOBAOGKRJV-AWEZNQCLSA-N,C16H14O4,270.28,270.0892089,3.1,55.8,350,0,1,4,2,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ERIODICTYOL,000552-58-9,440735,"(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one",C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O,"InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1",SBHXYTNGIZCORC-ZDUSSCGKSA-N,C15H12O6,288.25,288.0633881,2,107,400,0,4,6,1,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(2R-TRANS)-2,3-DIHYDRO-3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE",027200-12-0,161557,"(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one",C1=C(C=C(C(=C1O)O)O)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O,"InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1",KJXSIXMJHKAJOD-LSDHHAIUSA-N,C15H12O8,320.25,320.0532173,1.1,148,445,0,6,8,1,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)CHROMAN-4-ONE",067604-48-2,932,"5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one",C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2",FTVWIRXFELQLPI-UHFFFAOYSA-N,C15H12O5,272.25,272.0684735,2.4,87,363,0,3,5,1,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Flavanone, 3,3',4',5',7-pentahydroxy-, (R,R)-(+)-",4382-33-6,6708707,"(2R,3R)-3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one",C1=CC2=C(C=C1O)O[C@@H]([C@H](C2=O)O)C3=CC(=C(C(=C3)O)O)O,"InChI=1S/C15H12O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,14-18,20-21H/t14-,15+/m0/s1",VSJCDPYIMBSOKN-LSDHHAIUSA-N,C15H12O7,304.25,304.0583027,0.9,127,416,0,5,7,1,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-phenyl-",6515-36-2,1890,"7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one",C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=CC=C3,"InChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2",SWAJPHCXKPCPQZ-UHFFFAOYSA-N,C15H12O3,240.25,240.0786442,2.5,46.5,309,0,1,3,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-1-Benzopyran-4-one, 2,3-dihydro-2-(4-hydroxyphenyl)-",6515-37-3,165506,"2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one",C1C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)O,"InChI=1S/C15H12O3/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15-16H,9H2",ZLHVIYHWWQYJID-UHFFFAOYSA-N,C15H12O3,240.25,240.0786442,2.8,46.5,307,0,1,3,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-1-Benzopyran-4-one, 2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methyl-2-butenyl)-, (S)-",19879-30-2,10337211,"(2S)-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one",CC(=CCC1=CC2=C(C=C1OC)O[C@@H](CC2=O)C3=CC=C(C=C3)O)C,"InChI=1S/C21H22O4/c1-13(2)4-5-15-10-17-18(23)11-20(14-6-8-16(22)9-7-14)25-21(17)12-19(15)24-3/h4,6-10,12,20,22H,5,11H2,1-3H3/t20-/m0/s1",VOCGSQHKPZSIKB-FQEVSTJZSA-N,C21H22O4,338.4,338.1518092,4.4,55.8,488,0,1,4,4,25,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-, (2S)-",19879-32-4,14236566,"(2S)-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one",CC(=CCC1=CC2=C(C=C1O)O[C@@H](CC2=O)C3=CC=C(C=C3)O)C,"InChI=1S/C20H20O4/c1-12(2)3-4-14-9-16-18(23)11-19(24-20(16)10-17(14)22)13-5-7-15(21)8-6-13/h3,5-10,19,21-22H,4,11H2,1-2H3/t19-/m0/s1",OAUREGNZECGNQS-IBGZPJMESA-N,C20H20O4,324.4,324.1361591,4.1,66.8,474,0,2,4,3,24,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dimethoxy-8-(3-methyl-2-butenyl)-2-phenyl-, (2S)-",77727-18-5,157102,"(2S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one",CC(=CCC1=C2C(=C(C=C1OC)OC)C(=O)C[C@H](O2)C3=CC=CC=C3)C,"InChI=1S/C22H24O4/c1-14(2)10-11-16-19(24-3)13-20(25-4)21-17(23)12-18(26-22(16)21)15-8-6-5-7-9-15/h5-10,13,18H,11-12H2,1-4H3/t18-/m0/s1",JYESOAFLKFHYHP-SFHVURJKSA-N,C22H24O4,352.4,352.1674592,4.8,44.8,504,0,0,4,5,26,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-(3-(1,1-dimethyle",103890-78-4,5311217,"diethyl 2,6-dimethyl-4-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate",CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2/C=C/C(=O)OC(C)(C)C)C(=O)OCC)C)C,"InChI=1S/C26H33NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-13-11-10-12-18(19)14-15-20(28)33-26(5,6)7/h10-15,23,27H,8-9H2,1-7H3/b15-14+",GKQPCPXONLDCMU-CCEZHUSRSA-N,C26H33NO6,455.5,455.2307878,4.5,90.9,805,0,1,7,11,33,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(p-methoxyphenyl)-2,6-dimethyl-, diethyl ester",34014-60-3,97201,"diethyl 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)OC)C(=O)OCC)C)C,"InChI=1S/C20H25NO5/c1-6-25-19(22)16-12(3)21-13(4)17(20(23)26-7-2)18(16)14-8-10-15(24-5)11-9-14/h8-11,18,21H,6-7H2,1-5H3",QCJJMPZWBYORGR-UHFFFAOYSA-N,C20H25NO5,359.4,359.1732729,3.4,73.9,559,0,1,6,8,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-hydroxyphenyl)-2,6-dimethyl-, diethyl ester",34148-68-0,746764,"diethyl 4-(3-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)O)C(=O)OCC)C)C,"InChI=1S/C19H23NO5/c1-5-24-18(22)15-11(3)20-12(4)16(19(23)25-6-2)17(15)13-8-7-9-14(21)10-13/h7-10,17,20-21H,5-6H2,1-4H3",YSZFCIOQLMLJEH-UHFFFAOYSA-N,C19H23NO5,345.4,345.1576228,3.1,84.9,553,0,2,6,7,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, methyl 2-methylpropyl ester",63675-72-9,4499,"3-O-methyl 5-O-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC,"InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3",VKQFCGNPDRICFG-UHFFFAOYSA-N,C20H24N2O6,388.4,388.1634365,3.3,110,704,0,1,7,7,28,,,0,1,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-nitro-4-(2-(trifluoromethyl)phenyl)-, methyl ester",71145-03-4,2303,"methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate",CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC,"InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20H,1-3H3",ZFLWDHHVRRZMEI-UHFFFAOYSA-N,C16H15F3N2O4,356.3,356.0983915,3.4,84.2,634,0,1,8,3,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-, 3-ethyl 5-methyl ester",88150-42-9,2162,"3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate",CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN,"InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3",HTIQEAQVCYTUBX-UHFFFAOYSA-N,C20H25ClN2O5,408.9,408.1451996,3,99.9,647,0,2,7,10,28,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0
"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2,3-dichlorophenyl)-2,6-dimethyl",072509-76-3,3333,"5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C,"InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3",RZTAMFZIAATZDJ-UHFFFAOYSA-N,C18H19Cl2NO4,384.2,383.0691135,3.9,64.6,614,0,1,5,6,25,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-",066085-59-4,4497,"3-O-(2-methoxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC,"InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3",UIAGMCDKSXEBJQ-UHFFFAOYSA-N,C21H26N2O7,418.4,418.1740012,3.1,120,736,0,1,8,9,30,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,1,0
"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-hydroxyphenyl)-2,6-dimethyl-, diethyl ester",10354-30-0,619963,"diethyl 4-(4-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)O)C(=O)OCC)C)C,"InChI=1S/C19H23NO5/c1-5-24-18(22)15-11(3)20-12(4)16(19(23)25-6-2)17(15)13-7-9-14(21)10-8-13/h7-10,17,20-21H,5-6H2,1-4H3",NVMITRIIMPYSMB-UHFFFAOYSA-N,C19H23NO5,345.4,345.1576228,3.1,84.9,545,0,2,6,7,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-hydroxy-4-methoxyphenyl)-2,6-dimethyl-, diethyl ester",320741-61-5,982783,"diethyl 4-(3-hydroxy-4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",CCOC(=O)C1=C(NC(=C(C1C2=CC(=C(C=C2)OC)O)C(=O)OCC)C)C,"InChI=1S/C20H25NO6/c1-6-26-19(23)16-11(3)21-12(4)17(20(24)27-7-2)18(16)13-8-9-15(25-5)14(22)10-13/h8-10,18,21-22H,6-7H2,1-5H3",CBKXUHBWDZNIAE-UHFFFAOYSA-N,C20H25NO6,375.4,375.1681875,2.9,94.1,598,0,2,7,8,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,7-METHANO-1H-INDENE, OCTAHYDRO-, (3A.ALPHA.,4.BETA.,7.BETA.,7A.ALPHA.)-",002825-82-3,11159354,"(1S,2R,6S,7R)-tricyclo[5.2.1.02,6]decane",C1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1,"InChI=1S/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2/t7-,8+,9+,10-",LPSXSORODABQKT-FIRGSJFUSA-N,C10H16,136.23,136.1252005,3.8,0,134,0,0,0,0,10,,,1,0,1,0,1,0,1,1,1,0,0,0,0,0,0,0,1,1,0,1
"4,7-METHANO-1H-INDENE, OCTAHYDRO-, (3A.ALPHA.,4.ALPHA.,7.ALPHA.,7A.ALPHA.)-",002825-83-4,9812790,"(1R,2R,6S,7S)-tricyclo[5.2.1.02,6]decane",C1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1,"InChI=1S/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2/t7-,8+,9-,10+",LPSXSORODABQKT-YNFQOJQRSA-N,C10H16,136.23,136.1252005,3.8,0,134,0,0,0,0,10,,,1,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,1,1,0,0
"4,7-METHANO-1H-INDENE, OCTAHYDRO-",006004-38-2,17795,"tricyclo[5.2.1.02,6]decane",C1CC2C3CCC(C3)C2C1,"InChI=1S/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2",LPSXSORODABQKT-UHFFFAOYSA-N,C10H16,136.23,136.1252005,3.8,0,134,0,0,0,0,10,,,0,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"4,7-METHANO-1H-INDENEDIMETHANAMINE, OCTAHYDRO-",068889-71-4,173118,"[3-(aminomethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanamine",C1CC2CC1C3C2C(C(C3)CN)CN,"InChI=1S/C12H22N2/c13-5-9-4-10-7-1-2-8(3-7)12(10)11(9)6-14/h7-12H,1-6,13-14H2",ADDZHZUZVQDCOP-UHFFFAOYSA-N,C12H22N2,194.32,194.1782987,1.2,52,228,0,2,2,2,14,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"2-PROPENOIC ACID, OCTAHYDRO-4,7-METHANO-1H-INDENYL ESTER",079637-74-4,157305,"3-tricyclo[5.2.1.02,6]decanyl prop-2-enoate",C=CC(=O)OC1CCC2C1C3CCC2C3,"InChI=1S/C13H18O2/c1-2-12(14)15-11-6-5-10-8-3-4-9(7-8)13(10)11/h2,8-11,13H,1,3-7H2",LSAQODYZOZWHRI-UHFFFAOYSA-N,C13H18O2,206.28,206.1306798,3.5,26.3,297,0,0,2,3,15,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0
"4,7-METHANO-1H-INDENEMETHANOL, OCTAHYDRO-",031308-55-1,121774,"3-tricyclo[5.2.1.02,6]decanylmethanol",C1CC2CC1C3C2C(CC3)CO,"InChI=1S/C11H18O/c12-6-9-3-4-10-7-1-2-8(5-7)11(9)10/h7-12H,1-6H2",YAQCYZLLBMLGOB-UHFFFAOYSA-N,C11H18O,166.26,166.1357652,2.7,20.2,189,0,1,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4,7-METHANO-1H-INDENECARBOXALDEHYDE, OCTAHYDRO-",030772-79-3,161676,"tricyclo[5.2.1.02,6]decane-3-carbaldehyde",C1CC2CC1C3C2C(CC3)C=O,"InChI=1S/C11H16O/c12-6-9-3-4-10-7-1-2-8(5-7)11(9)10/h6-11H,1-5H2",USPJNXWHVJTDJW-UHFFFAOYSA-N,C11H16O,164.24,164.1201151,2.6,17.1,211,0,0,1,1,12,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
TRICYCLODECANEDIMETHANOL,026896-48-0,160138,"[8-(hydroxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methanol",C1CC2C3CC(C2C1CO)CC3CO,"InChI=1S/C12H20O2/c13-5-7-1-2-10-11-4-8(12(7)10)3-9(11)6-14/h7-14H,1-6H2",OTLDLKLSNZMTTA-UHFFFAOYSA-N,C12H20O2,196.29,196.1463299,1.5,40.5,228,0,2,2,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4,7-METHANO-1H-INDEN-5-OL, OCTAHYDRO-",013380-89-7,95606,"tricyclo[5.2.1.02,6]decan-8-ol",C1CC2C(C1)C3CC2CC3O,"InChI=1S/C10H16O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-11H,1-5H2",FKZJBAXKHJIQDU-UHFFFAOYSA-N,C10H16O,152.23,152.1201151,2.3,20.2,178,0,1,1,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4,7-METHANO-1H-INDEN-5-OL, OCTAHYDRO-, ACETATE, (3A.ALPHA.,4.ALPHA.,5.ALPHA.,7",014362-73-3,85724,"8-tricyclo[5.2.1.02,6]decanyl acetate",CC(=O)OC1CC2CC1C3C2CCC3,"InChI=1S/C12H18O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h8-12H,2-6H2,1H3",YKFHIJHJBUDXFP-UHFFFAOYSA-N,C12H18O2,194.27,194.1306798,2.9,26.3,261,0,0,2,2,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"4,7-METHANO-1H-INDENE-2,5-DIMETHANOL, OCTAHYDRO-",028132-01-6,98091,"[8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol",C1C(CC2C1C3CC(C2C3)CO)CO,"InChI=1S/C12H20O2/c13-5-7-1-10-8-3-9(6-14)11(4-8)12(10)2-7/h7-14H,1-6H2",ZFZDWMXUMXACHS-UHFFFAOYSA-N,C12H20O2,196.29,196.1463299,1.3,40.5,228,0,2,2,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 3-(hexahydro-4,7-methanoindan-5-yl)-1,1-dimethyl-, endo,exo-5-",18530-56-8,12313523,"1,1-dimethyl-3-[(1S,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea",CN(C)C(=O)N[C@@H]1C[C@@H]2C[C@H]1[C@H]3[C@@H]2CCC3,"InChI=1S/C13H22N2O/c1-15(2)13(16)14-12-7-8-6-11(12)10-5-3-4-9(8)10/h8-12H,3-7H2,1-2H3,(H,14,16)/t8-,9+,10+,11-,12+/m0/s1",YGLMVCVJLXREAK-MTVMDMGHSA-N,C13H22N2O,222.33,222.1732133,2.3,32.3,302,0,1,1,1,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 1,1-dimethyl-3-(hexahydro-4,7-methanoindan-1(or 2)-yl)-",28805-78-9,3035253,"1,1-dimethyl-3-(3-tricyclo[5.2.1.02,6]decanyl)urea",CN(C)C(=O)NC1CCC2C1C3CCC2C3,"InChI=1S/C13H22N2O/c1-15(2)13(16)14-11-6-5-10-8-3-4-9(7-8)12(10)11/h8-12H,3-7H2,1-2H3,(H,14,16)",QOBMKVRRANLSMZ-UHFFFAOYSA-N,C13H22N2O,222.33,222.1732133,2.3,32.3,302,0,1,1,1,16,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BICYCLO[3.1.1]HEPTANE, 2,6,6-TRIMETHYL-",000473-55-2,10129,"2,6,6-trimethylbicyclo[3.1.1]heptane",CC1CCC2CC1C2(C)C,"InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3",XOKSLPVRUOBDEW-UHFFFAOYSA-N,C10H18,138.25,138.1408506,3.9,0,146,0,0,0,0,10,"104 °F (NTP, 1992)","304 °F at 760 mmHg (NTP, 1992)",0,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
"BICYCLO[3.1.1]HEPTANE, 2,6,6-TRIMETHYL-, (1.ALPHA.,2.BETA.,5.ALPHA.)-",006876-13-7,10969850,"(1S,2R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane",C[C@@H]1CC[C@H]2C[C@@H]1C2(C)C,"InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m1/s1",XOKSLPVRUOBDEW-VGMNWLOBSA-N,C10H18,138.25,138.1408506,3.9,0,146,0,0,0,0,10,,,0,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"BICYCLO[3.1.1]HEPTANE-3-CARBOXALDEHYDE, 2,6,6-TRIMETHYL-",060113-43-1,108415,"2,6,6-trimethylbicyclo[3.1.1]heptane-3-carbaldehyde",CC1C(CC2CC1C2(C)C)C=O,"InChI=1S/C11H18O/c1-7-8(6-12)4-9-5-10(7)11(9,2)3/h6-10H,4-5H2,1-3H3",VUNCLQCPKWLBRY-UHFFFAOYSA-N,C11H18O,166.26,166.1357652,2.6,17.1,207,0,0,1,1,12,,,0,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,1,1,0,0
"(1S-(1ALPHA,2BETA,5ALPHA))-6,6-DIMETHYLBICYCLO(3.1.1)HEPTANE-2-METHANOL",051152-12-6,11084102,"[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol",CC1([C@H]2CC[C@H]([C@@H]1C2)CO)C,"InChI=1S/C10H18O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9,11H,3-6H2,1-2H3/t7-,8-,9-/m0/s1",LDWAIHWGMRVEFR-CIUDSAMLSA-N,C10H18O,154.25,154.1357652,2.5,20.2,162,0,1,1,1,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BICYCLO[3.1.1]HEPTANETHIOL, 2,6,6-TRIMETHYL-, SILVER(1+) SALT",068365-86-6,91997113,"silver 2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiolate",CC1CCC2CC1(C2(C)C)[S-].[Ag+],"InChI=1S/C10H18S.Ag/c1-7-4-5-8-6-10(7,11)9(8,2)3;/h7-8,11H,4-6H2,1-3H3;/q;+1/p-1",FOUWRGHZHQYSNN-UHFFFAOYSA-M,C10H17AgS,277.18,276.01019,,1,185,0,0,1,0,12,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
STROBANE,008001-50-1,5302,"1,2,3,4,5,7-hexachloro-2-(dichloromethyl)-6,6-dimethylbicyclo[3.1.1]heptane",CC1(C2(C(C(C(C1(C2Cl)Cl)(C(Cl)Cl)Cl)Cl)Cl)Cl)C,"InChI=1S/C10H10Cl8/c1-7(2)8(16)3(11)4(12)9(17,6(14)15)10(7,18)5(8)13/h3-6H,1-2H3",DVEYBSZJQZPNLT-UHFFFAOYSA-N,C10H10Cl8,413.8,413.823172,5.7,0,384,0,0,0,1,18,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BICYCLO[3.1.1]HEPTAN-2-OL, 2,6,6-TRIMETHYL-",000473-54-1,10128,"2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol",CC1(C2CCC(C1C2)(C)O)C,"InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,11)8(9)6-7/h7-8,11H,4-6H2,1-3H3",YYWZKGZIIKPPJZ-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,2.1,20.2,185,0,1,1,0,11,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BICYCLO[3.1.1]HEPTANE-3-METHANAMINE, 2,6,6-TRIMETHYL-, HYDROCHLORIDE",068092-54-6,106575,"(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)methanamine;hydrochloride",CC1C(CC2CC1C2(C)C)CN.Cl,"InChI=1S/C11H21N.ClH/c1-7-8(6-12)4-9-5-10(7)11(9,2)3;/h7-10H,4-6,12H2,1-3H3;1H",WMWWUXCZAWKORS-UHFFFAOYSA-N,C11H22ClN,203.75,203.1440774,,26,185,0,2,1,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BICYCLO[3.1.1]HEPTANE-2-ETHANOL, 6,6-DIMETHYL-",004747-61-9,107330,"2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethanol",CC1(C2CCC(C1C2)CCO)C,"InChI=1S/C11H20O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h8-10,12H,3-7H2,1-2H3",RCRVMCSPZAMFKV-UHFFFAOYSA-N,C11H20O,168.28,168.1514153,3,20.2,174,0,1,1,2,12,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"(1R,2R,3S,5R)-(-)-PINANEDIOL",022422-34-0,6553875,"(1R,2R,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol",C[C@]1([C@@H]2C[C@@H](C2(C)C)C[C@@H]1O)O,"InChI=1S/C10H18O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,11-12H,4-5H2,1-3H3/t6-,7-,8+,10-/m1/s1",MOILFCKRQFQVFS-BDNRQGISSA-N,C10H18O2,170.25,170.1306798,1.1,40.5,212,0,2,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BICYCLO[3.1.1]HEPTAN-2-OL, 2,6,6-TRIMETHYL-, (1.ALPHA.,2.ALPHA.,5.ALPHA.)-",004948-28-1,6428289,"(1R,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol",C[C@@]1(CC[C@H]2C[C@@H]1C2(C)C)O,"InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,11)8(9)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10-/m0/s1",YYWZKGZIIKPPJZ-XKSSXDPKSA-N,C10H18O,154.25,154.1357652,2.1,20.2,185,0,1,1,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BICYCLO[3.1.1]HEPTANETHIOL, 2,6,6-TRIMETHYL-, GOLD(1+) SALT",068365-87-7,138395949,"gold(1+);2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiolate",CC1CCC2CC1(C2(C)C)[S-].[Au+],"InChI=1S/C10H18S.Au/c1-7-4-5-8-6-10(7,11)9(8,2)3;/h7-8,11H,4-6H2,1-3H3;/q;+1/p-1",UEENBQODYARUAV-UHFFFAOYSA-M,C10H17AuS,366.28,366.071667,,1,185,0,0,1,0,12,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"(1S,2S,3R,5S)-(+)-PINANEDIOL",018680-27-8,10219606,"(1S,2S,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol",C[C@@]1([C@H]2C[C@H](C2(C)C)C[C@H]1O)O,"InChI=1S/C10H18O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,11-12H,4-5H2,1-3H3/t6-,7-,8+,10-/m0/s1",MOILFCKRQFQVFS-OORONAJNSA-N,C10H18O2,170.25,170.1306798,1.1,40.5,212,0,2,2,0,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,7-METHANO-1H-INDENE, 3A,4,5,6,7,7A-HEXAHYDRO-",004488-57-7,95605,"tricyclo[5.2.1.02,6]dec-3-ene",C1CC2CC1C3C2C=CC3,"InChI=1S/C10H14/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,7-10H,3-6H2",HANKSFAYJLDDKP-UHFFFAOYSA-N,C10H14,134.22,134.1095504,3.1,0,180,0,0,0,0,10,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
"4,7-METHANO-1H-INDEN-5-OL, 3A,4,5,6,7,7A-HEXAHYDRO-",000133-21-1,94137,"tricyclo[5.2.1.02,6]dec-4-en-8-ol",C1C=CC2C1C3CC2C(C3)O,"InChI=1S/C10H14O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h1,3,6-11H,2,4-5H2",LDUKQFUHJZHLRC-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,1.6,20.2,209,0,1,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,7-METHANO-1H-INDENE, 3A,4,5,6,7,7A-HEXAHYDRO-5-(2-PROPENYLOXY)-",002279-18-7,102779,"9-prop-2-enoxytricyclo[5.2.1.02,6]dec-3-ene",C=CCOC1CC2CC1C3C2CC=C3,"InChI=1S/C13H18O/c1-2-6-14-13-8-9-7-12(13)11-5-3-4-10(9)11/h2-3,5,9-13H,1,4,6-8H2",QFRXRJATKANZGZ-UHFFFAOYSA-N,C13H18O,190.28,190.1357652,2.8,9.2,268,0,0,1,3,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"4,7-METHANO-1H-INDEN-6-OL, 3A,4,5,6,7,7A-HEXAHYDRO-",003385-61-3,102990,"tricyclo[5.2.1.02,6]dec-3-en-8-ol",C1C=CC2C1C3CC2CC3O,"InChI=1S/C10H14O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h1-2,6-11H,3-5H2",HIPPBUJQSIICJN-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,1.6,20.2,209,0,1,1,0,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 2-METHYL-, 3A,4,5,6,7,7A-HEXAHYDRO-4,7-METHANO-1H-INDEN-5(OR",031621-69-9,3034476,"8-tricyclo[5.2.1.02,6]dec-4-enyl 2-methylprop-2-enoate",CC(=C)C(=O)OC1CC2CC1C3C2CC=C3,"InChI=1S/C14H18O2/c1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11/h3,5,9-13H,1,4,6-7H2,2H3",KSJZDHASBYGXBI-UHFFFAOYSA-N,C14H18O2,218.29,218.1306798,3.1,26.3,369,0,0,2,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-[(3A,4,5,6,7,7A-HEXAHYDRO-4,7-METHANO-1H-INDEN-6-YL)OXY]ET",065983-31-5,93359,"2-(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)ethyl prop-2-enoate",C=CC(=O)OCCOC1CC2CC1C3C2C=CC3,"InChI=1S/C15H20O3/c1-2-15(16)18-7-6-17-14-9-10-8-13(14)12-5-3-4-11(10)12/h2-4,10-14H,1,5-9H2",RSVDRWTUCMTKBV-UHFFFAOYSA-N,C15H20O3,248.32,248.1412445,2.6,35.5,374,0,0,3,6,18,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANOIC ACID, 2,2-DIMETHYL-, 3A,4,5,6,7,7A-HEXAHYDRO-4,7-METHANO-1H-INDEN-6-",068039-44-1,107071,"8-tricyclo[5.2.1.02,6]dec-3-enyl 2,2-dimethylpropanoate",CC(C)(C)C(=O)OC1CC2CC1C3C2C=CC3,"InChI=1S/C15H22O2/c1-15(2,3)14(16)17-13-8-9-7-12(13)11-6-4-5-10(9)11/h4-5,9-13H,6-8H2,1-3H3",MEAGMJILPLJCFQ-UHFFFAOYSA-N,C15H22O2,234.33,234.1619799,3.6,26.3,364,0,0,2,3,17,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"4,7-METHANO-1H-INDENE-5-CARBOXALDEHYDE, 3A,4,5,6,7,7A-HEXAHYDRO-, (3A.ALPHA.,4",059691-23-5,108809,"(1S,2R,6R,7S,8R)-tricyclo[5.2.1.02,6]dec-4-ene-8-carbaldehyde",C1C=C[C@@H]2[C@H]1[C@@H]3C[C@H]([C@H]2C3)C=O,"InChI=1S/C11H14O/c12-6-8-4-7-5-11(8)10-3-1-2-9(7)10/h1,3,6-11H,2,4-5H2/t7-,8+,9-,10-,11-/m1/s1",MOIHSCPKBNWGRI-RCZSTQMZSA-N,C11H14O,162.23,162.1044651,1.9,17.1,243,0,0,1,1,12,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"4,7-METHANO-1H-INDENE, 3A,4,5,6,7,7A-HEXAHYDRO-5-METHOXY-",053018-24-9,103719,"9-methoxytricyclo[5.2.1.02,6]dec-3-ene",COC1CC2CC1C3C2CC=C3,"InChI=1S/C11H16O/c1-12-11-6-7-5-10(11)9-4-2-3-8(7)9/h2,4,7-11H,3,5-6H2,1H3",QGIIMMFKVVKYGH-UHFFFAOYSA-N,C11H16O,164.24,164.1201151,2.1,9.2,221,0,0,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4,7-METHANO-1H-INDEN-5-OL, 3A,4,5,6,7,7A-HEXAHYDRO-, PROPANOATE",067634-24-6,106747,"8-tricyclo[5.2.1.02,6]dec-4-enyl propanoate",CCC(=O)OC1CC2CC1C3C2CC=C3,"InChI=1S/C13H18O2/c1-2-13(14)15-12-7-8-6-11(12)10-5-3-4-9(8)10/h3,5,8-12H,2,4,6-7H2,1H3",ZPFJBPIFMMENKC-UHFFFAOYSA-N,C13H18O2,206.28,206.1306798,2.6,26.3,308,0,0,2,3,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,7-METHANO-1H-INDEN-5-OL, 3A,4,5,6,7,7A-HEXAHYDRO-, ACETATE",002500-83-6,98478,"8-tricyclo[5.2.1.02,6]dec-4-enyl acetate",CC(=O)OC1CC2CC1C3C2CC=C3,"InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2,4,8-12H,3,5-6H2,1H3",BJLRAKFWOUAROE-UHFFFAOYSA-N,C12H16O2,192.25,192.1150297,2.2,26.3,295,0,0,2,2,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,7-METHANO-1H-INDEN-6-OL, 3A,4,5,6,7,7A-HEXAHYDRO-, ACETATE",005413-60-5,110655,"8-tricyclo[5.2.1.02,6]dec-3-enyl acetate",CC(=O)OC1CC2CC1C3C2C=CC3,"InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2-3,8-12H,4-6H2,1H3",RGVQNSFGUOIKFF-UHFFFAOYSA-N,C12H16O2,192.25,192.1150297,2.2,26.3,295,0,0,2,2,14,,,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
"PROPANOIC ACID, 2-METHYL-, 3A,4,5,6,7,7A-HEXAHYDRO-4,7-METHANO-1H-INDEN-6-YL E",068039-39-4,107068,"8-tricyclo[5.2.1.02,6]dec-3-enyl 2-methylpropanoate",CC(C)C(=O)OC1CC2CC1C3C2C=CC3,"InChI=1S/C14H20O2/c1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11/h3-4,8-13H,5-7H2,1-2H3",NOVRMYIRGSLBER-UHFFFAOYSA-N,C14H20O2,220.31,220.1463299,3.2,26.3,332,0,0,2,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3H-INDOLIUM, 2-[2-[4-[(2-CYANOETHYL)METHYLAMINO]PHENYL]ETHENYL]-1,3,3-TRIMETHY",072319-18-7,57358606,"hydrogen sulfate;3-[N-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile",CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCC#N)C)C.OS(=O)(=O)[O-],"InChI=1S/C23H26N3.H2O4S/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;1-5(2,3)4/h5-6,8-15H,7,17H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1",SMCZLJWHBOXGOO-UHFFFAOYSA-M,C23H27N3O4S,441.5,441.1722275,,116,674,0,1,6,5,31,,,0,0,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,0
"3H-INDOLIUM, 2-[2-[4-(DIETHYLAMINO)PHENYL]ETHENYL]-1,3,3-TRIMETHYL-, CHLORIDE",006359-45-1,6433480,"N,N-diethyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline chloride",CCN(CC)C1=CC=C(C=C1)/C=C/C2=[N+](C3=CC=CC=C3C2(C)C)C.[Cl-],"InChI=1S/C23H29N2.ClH/c1-6-25(7-2)19-15-12-18(13-16-19)14-17-22-23(3,4)20-10-8-9-11-21(20)24(22)5;/h8-17H,6-7H2,1-5H3;1H/q+1;/p-1",PKALEBFTSZCHGU-UHFFFAOYSA-M,C23H29ClN2,368.9,368.2019266,,6.3,504,0,0,2,5,26,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"3H-INDOLIUM, 2-[2-[4-(DIETHYLAMINO)PHENYL]ETHENYL]-1,3,3-TRIMETHYL-, ACETATE",064346-30-1,116584,"N,N-diethyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline acetate",CCN(CC)C1=CC=C(C=C1)C=CC2=[N+](C3=CC=CC=C3C2(C)C)C.CC(=O)[O-],"InChI=1S/C23H29N2.C2H4O2/c1-6-25(7-2)19-15-12-18(13-16-19)14-17-22-23(3,4)20-10-8-9-11-21(20)24(22)5;1-2(3)4/h8-17H,6-7H2,1-5H3;1H3,(H,3,4)/q+1;/p-1",KEUVYXFBMUFRGG-UHFFFAOYSA-M,C25H32N2O2,392.5,392.2463783,,46.4,530,0,0,3,5,29,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"3H-INDOLIUM, 2-[2-[4-(DIETHYLAMINO)PHENYL]ETHENYL]-1,3,3-TRIMETHYL-, PHOSPHATE",075535-16-9,44151509,"N,N-diethyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;dihydrogen phosphate",CCN(CC)C1=CC=C(C=C1)/C=C/C2=[N+](C3=CC=CC=C3C2(C)C)C.OP(=O)(O)[O-],"InChI=1S/C23H29N2.H3O4P/c1-6-25(7-2)19-15-12-18(13-16-19)14-17-22-23(3,4)20-10-8-9-11-21(20)24(22)5;1-5(2,3)4/h8-17H,6-7H2,1-5H3;(H3,1,2,3,4)/q+1;/p-1",DNQYATSEPGGRFT-UHFFFAOYSA-M,C23H31N2O4P,430.5,430.2021445,,86.8,554,0,2,5,5,30,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"3H-INDOLIUM, 2-[2-[4-(DIETHYLAMINO)PHENYL]ETHENYL]-1,3,3-TRIMETHYL-, SULFATE (",085283-95-0,6441971,"N,N-diethyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline sulfate",CCN(CC)C1=CC=C(C=C1)/C=C/C2=[N+](C3=CC=CC=C3C2(C)C)C.[O-]S(=O)(=O)[O-],"InChI=1S/C23H29N2.H2O4S/c1-6-25(7-2)19-15-12-18(13-16-19)14-17-22-23(3,4)20-10-8-9-11-21(20)24(22)5;1-5(2,3)4/h8-17H,6-7H2,1-5H3;(H2,1,2,3,4)/q+1;/p-2",DDCQOMCTMUPVHS-UHFFFAOYSA-L,C23H29N2O4S-,429.6,429.1848036,,94.9,566,-1,0,5,5,30,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"3H-INDOLIUM, 2-[2-[4-[(2-CHLOROETHYL)ETHYLAMINO]-2-METHYLPHENYL]ETHENYL]-1,3,3",006441-82-3,6538422,"N-(2-chloroethyl)-N-ethyl-3-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline chloride",CCN(CCCl)C1=CC(=C(C=C1)/C=C/C2=[N+](C3=CC=CC=C3C2(C)C)C)C.[Cl-],"InChI=1S/C24H30ClN2.ClH/c1-6-27(16-15-25)20-13-11-19(18(2)17-20)12-14-23-24(3,4)21-9-7-8-10-22(21)26(23)5;/h7-14,17H,6,15-16H2,1-5H3;1H/q+1;/p-1",JQZWHMOVSQRYRN-UHFFFAOYSA-M,C24H30Cl2N2,417.4,416.1786044,,6.3,565,0,0,2,6,28,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"3H-INDOLIUM, 2-[2-[4-(DIMETHYLAMINO)PHENYL]ETHENYL]-1,3,3-TRIMETHYL-, CHLORIDE",054268-66-5,103884,"N,N-dimethyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline chloride",CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)C)C)C.[Cl-],"InChI=1S/C21H25N2.ClH/c1-21(2)18-8-6-7-9-19(18)23(5)20(21)15-12-16-10-13-17(14-11-16)22(3)4;/h6-15H,1-5H3;1H/q+1;/p-1",OSZUKLZZXWAXEW-UHFFFAOYSA-M,C21H25ClN2,340.9,340.1706265,,6.3,478,0,0,2,3,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3H-INDOLIUM, 2-[2-[4-[(2-CYANOETHYL)METHYLAMINO]PHENYL]ETHENYL]-1,3,3-TRIMETHY",065122-06-7,53441013,"3-[N-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile acetate",CC(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCC#N)C)C,"InChI=1S/C23H26N3.C2H4O2/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;1-2(3)4/h5-6,8-15H,7,17H2,1-4H3;1H3,(H,3,4)/q+1;/p-1",BKBFMSIYWJCZCJ-UHFFFAOYSA-M,C25H29N3O2,403.5,403.2259772,,70.2,624,0,0,4,5,30,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"3H-INDOLIUM, 2-[2-[4-(DIMETHYLAMINO)PHENYL]ETHENYL]-1,3,3-TRIMETHYL-, ACETATE",071598-17-9,155657,"N,N-dimethyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline acetate",CC(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)C)C)C,"InChI=1S/C21H25N2.C2H4O2/c1-21(2)18-8-6-7-9-19(18)23(5)20(21)15-12-16-10-13-17(14-11-16)22(3)4;1-2(3)4/h6-15H,1-5H3;1H3,(H,3,4)/q+1;/p-1",BIMNBZJRQYMZIQ-UHFFFAOYSA-M,C23H28N2O2,364.5,364.2150781,,46.4,504,0,0,3,3,27,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"3H-INDOLIUM, 2-[2-[4-(DIMETHYLAMINO)PHENYL]ETHENYL]-1,3,3-TRIMETHYL-, PHOSPHAT",072214-25-6,174981,"dihydrogen phosphate;N,N-dimethyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline",CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)C)C)C.OP(=O)(O)[O-],"InChI=1S/C21H25N2.H3O4P/c1-21(2)18-8-6-7-9-19(18)23(5)20(21)15-12-16-10-13-17(14-11-16)22(3)4;1-5(2,3)4/h6-15H,1-5H3;(H3,1,2,3,4)/q+1;/p-1",OWKTYKYYGBBYKF-UHFFFAOYSA-M,C21H27N2O4P,402.4,402.1708443,,86.8,528,0,2,5,3,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3H-INDOLIUM, 2-[2-[4-[(2-CYANOETHYL)METHYLAMINO]PHENYL]ETHENYL]-1,3,3-TRIMETHY",072208-21-0,56843636,"dihydrogen phosphate;3-[N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile",CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=CC=C(C=C3)N(C)CCC#N)C)C.OP(=O)(O)[O-],"InChI=1S/C23H26N3.H3O4P/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;1-5(2,3)4/h5-6,8-15H,7,17H2,1-4H3;(H3,1,2,3,4)/q+1;/p-1",XVIVSJJRGUZEAO-UHFFFAOYSA-M,C23H28N3O4P,441.5,441.1817434,,111,648,0,2,6,5,31,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3H-INDOLIUM, 2-[2-[4-[(2-CYANOETHYL)ETHYLAMINO]PHENYL]ETHENYL]-1,3,3-TRIMETHYL",054060-94-5,103869,"3-[N-ethyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile chloride",CCN(CCC#N)C1=CC=C(C=C1)C=CC2=[N+](C3=CC=CC=C3C2(C)C)C.[Cl-],"InChI=1S/C24H28N3.ClH/c1-5-27(18-8-17-25)20-14-11-19(12-15-20)13-16-23-24(2,3)21-9-6-7-10-22(21)26(23)4;/h6-7,9-16H,5,8,18H2,1-4H3;1H/q+1;/p-1",KRQJHWFEYKEYKT-UHFFFAOYSA-M,C24H28ClN3,393.9,393.1971756,,30,613,0,0,3,6,28,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"3H-INDOLIUM, 2-[2-[4-[(2-CHLOROETHYL)METHYLAMINO]PHENYL]ETHENYL]-1,3,3-TRIMETH",003648-36-0,6433371,"N-(2-chloroethyl)-N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline chloride",CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=CC=C(C=C3)N(C)CCCl)C)C.[Cl-],"InChI=1S/C22H26ClN2.ClH/c1-22(2)19-7-5-6-8-20(19)25(4)21(22)14-11-17-9-12-18(13-10-17)24(3)16-15-23;/h5-14H,15-16H2,1-4H3;1H/q+1;/p-1",ZTBANYZVKCGOKD-UHFFFAOYSA-M,C22H26Cl2N2,389.4,388.1473042,,6.3,514,0,0,2,5,26,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-INDOLIUM, 2-[2-[4-[(2-CYANOETHYL)METHYLAMINO]PHENYL]ETHENYL]-1,3,3-TRIMETHY",012217-48-0,6435842,"3-[N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile chloride",CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=CC=C(C=C3)N(C)CCC#N)C)C.[Cl-],"InChI=1S/C23H26N3.ClH/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;/h5-6,8-15H,7,17H2,1-4H3;1H/q+1;/p-1",NJIRSTSECXKPCO-UHFFFAOYSA-M,C23H26ClN3,379.9,379.1815255,,30,598,0,0,3,5,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
CHLORPHENIRAMINE MALEATE,000113-92-8,5281068,"(Z)-but-2-enedioic acid;3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine",CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C16H19ClN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-",DBAKFASWICGISY-BTJKTKAUSA-N,C20H23ClN2O4,390.9,390.1346349,,90.7,368,0,2,6,7,27,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"2-PYRIDINEPROPANAMINE, .GAMMA.-(4-BROMOPHENYL)-N,N-DIMETHYL-",000086-22-6,6834,"3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine",CN(C)CCC(C1=CC=C(C=C1)Br)C2=CC=CC=N2,"InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3",ZDIGNSYAACHWNL-UHFFFAOYSA-N,C16H19BrN2,319.24,318.07316,3.5,16.1,249,0,0,2,5,19,,150 °C at 0.5 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-PYRIDINEPROPANAMINE, N,N-DIMETHYL-.GAMMA.-PHENYL-, (Z)-2-BUTENEDIOATE (1:1)",000132-20-7,5282139,"(Z)-but-2-enedioic acid;N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine",CN(C)CCC(C1=CC=CC=C1)C2=CC=CC=N2.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C16H20N2.C4H4O4/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16;5-3(6)1-2-4(7)8/h3-10,12,15H,11,13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-",SSOXZAQUVINQSA-BTJKTKAUSA-N,C20H24N2O4,356.4,356.1736073,,90.7,340,0,2,6,7,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 2-(alpha-(2-(dimethylamino)ethoxy)-alpha-methylbenzyl)-, succinate (",000562-10-7,11224,"butanedioic acid;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine",CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.C(CC(=O)O)C(=O)O,"InChI=1S/C17H22N2O.C4H6O4/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;5-3(6)1-2-4(7)8/h4-12H,13-14H2,1-3H3;1-2H2,(H,5,6)(H,7,8)",KBAUFVUYFNWQFM-UHFFFAOYSA-N,C21H28N2O5,388.5,388.199822,,100,369,0,2,7,9,28,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-PYRIDINEPROPANAMINE, .GAMMA.-(4-BROMOPHENYL)-N,N-DIMETHYL-, (Z)-2-BUTENEDIOA",000980-71-2,5281067,"3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;(Z)-but-2-enedioic acid",CN(C)CCC(C1=CC=C(C=C1)Br)C2=CC=CC=N2.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C16H19BrN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-",SRGKFVAASLQVBO-BTJKTKAUSA-N,C20H23BrN2O4,435.3,434.08412,,90.7,368,0,2,6,7,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PYRIDINE, 2-[(2,4-DINITROPHENYL)METHYL]-",001151-97-9,70854,"2-[(2,4-dinitrophenyl)methyl]pyridine",C1=CC=NC(=C1)CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C12H9N3O4/c16-14(17)11-5-4-9(12(8-11)15(18)19)7-10-3-1-2-6-13-10/h1-6,8H,7H2",KKFNJVINGIUTIH-UHFFFAOYSA-N,C12H9N3O4,259.22,259.0593058,2.5,105,339,0,0,5,2,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyridineacetamide, alpha-(2-(diisopropylamino)ethyl)-alpha-phenyl-",003737-09-5,3114,4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide,CC(C)N(CCC(C1=CC=CC=C1)(C2=CC=CC=N2)C(=O)N)C(C)C,"InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)",UVTNFZQICZKOEM-UHFFFAOYSA-N,C21H29N3O,339.5,339.2310626,3.2,59.2,409,0,1,3,8,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
2-BENZYLPYRIDINE,000101-82-6,7581,2-benzylpyridine,C1=CC=C(C=C1)CC2=CC=CC=N2,"InChI=1S/C12H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-9H,10H2",PCFUWBOSXMKGIP-UHFFFAOYSA-N,C12H11N,169.22,169.0891494,2.8,12.9,138,0,0,1,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Pyridine, 2-(alpha-(2-(dimethylamino)ethyl)benzyl)-",86-21-5,4761,"N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine",CN(C)CCC(C1=CC=CC=C1)C2=CC=CC=N2,"InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3",IJHNSHDBIRRJRN-UHFFFAOYSA-N,C16H20N2,240.34,240.1626486,2.8,16.1,221,0,0,2,5,18,,175.00 °C. @ 25.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 2-(alpha-(2-(dimethylamino)ethoxy)-alpha-methylbenzyl)-",469-21-6,3162,"N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine",CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C,"InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3",HCFDWZZGGLSKEP-UHFFFAOYSA-N,C17H22N2O,270.37,270.1732133,2.5,25.4,276,0,0,3,6,20,,"279 to 286 °F at 0.5 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 2-(p-chloro-alpha-(2-(dimethylamino)ethyl)benzyl)-, maleate (1:1), (+)-",2438-32-6,5281070,"(Z)-but-2-enedioic acid;(3S)-3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine",CN(C)CC[C@@H](C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C16H19ClN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-;/m0./s1",DBAKFASWICGISY-DASCVMRKSA-N,C20H23ClN2O4,390.9,390.1346349,,90.7,368,0,2,6,7,27,,,0,1,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,1,1
"ETHANAMINE, 2-[(4-CHLOROPHENYL)-2-PYRIDINYLMETHOXY]-N,N-DIMETHYL-, (Z)-2-BUTEN",003505-38-2,5282409,"(Z)-but-2-enedioic acid;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine",CN(C)CCOC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C16H19ClN2O.C4H4O4/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-10,16H,11-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-",GVNWHCVWDRNXAZ-BTJKTKAUSA-N,C20H23ClN2O5,406.9,406.1295495,,100,386,0,2,7,8,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 2-(p-bromo-alpha-(2-(dimethylamino)ethyl)benzyl)-, maleate (1:1), (S)-",3/9/91,6433334,"(3S)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;(Z)-but-2-enedioic acid",CN(C)CC[C@@H](C1=CC=C(C=C1)Br)C2=CC=CC=N2.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C16H19BrN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-;/m0./s1",SRGKFVAASLQVBO-DASCVMRKSA-N,C20H23BrN2O4,435.3,434.08412,,90.7,368,0,2,6,7,27,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
FIPRONIL,120068-37-3,3352,"5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile",C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F,"InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2",ZOCSXAVNDGMNBV-UHFFFAOYSA-N,C12H4Cl2F6N4OS,437.1,435.9387063,4.5,104,599,0,1,11,2,26,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"1H-PYRAZOL-5-AMINE, 3-METHYL-1-PHENYL-",001131-18-6,70801,5-methyl-2-phenylpyrazol-3-amine,CC1=NN(C(=C1)N)C2=CC=CC=C2,"InChI=1S/C10H11N3/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h2-7H,11H2,1H3",FMKMKBLHMONXJM-UHFFFAOYSA-N,C10H11N3,173.21,173.0952974,1.9,43.8,166,0,1,2,1,13,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-PYRAZOL-5-AMINE, 3-METHYL-1-(4-METHYLPHENYL)-",062535-60-8,112855,5-methyl-2-(4-methylphenyl)pyrazol-3-amine,CC1=CC=C(C=C1)N2C(=CC(=N2)C)N,"InChI=1S/C11H13N3/c1-8-3-5-10(6-4-8)14-11(12)7-9(2)13-14/h3-7H,12H2,1-2H3",WQUNBEPKWJLYJD-UHFFFAOYSA-N,C11H13N3,187.24,187.1109474,2.3,43.8,187,0,1,2,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-PYRAZOLE-4-CARBOXALDEHYDE, 3,5-DIMETHYL-1-PHENYL-",022042-79-1,89179,"3,5-dimethyl-1-phenylpyrazole-4-carbaldehyde",CC1=C(C(=NN1C2=CC=CC=C2)C)C=O,"InChI=1S/C12H12N2O/c1-9-12(8-15)10(2)14(13-9)11-6-4-3-5-7-11/h3-8H,1-2H3",VOMRTQQGXWPTJK-UHFFFAOYSA-N,C12H12N2O,200.24,200.094963,2.4,34.9,226,0,0,2,2,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrazole-4-carboxylic acid, 1-phenyl-",1134-50-5,121026,1-phenylpyrazole-4-carboxylic acid,C1=CC=C(C=C1)N2C=C(C=N2)C(=O)O,"InChI=1S/C10H8N2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H,(H,13,14)",ZROILLPDIUNLSE-UHFFFAOYSA-N,C10H8N2O2,188.18,188.0585775,1.4,55.1,214,0,1,3,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Pyrazolecarbonitrile, 5-amino-3-cyanomethyl-1-phenyl-",7152-40-1,81585,5-amino-3-(cyanomethyl)-1-phenylpyrazole-4-carbonitrile,C1=CC=C(C=C1)N2C(=C(C(=N2)CC#N)C#N)N,"InChI=1S/C12H9N5/c13-7-6-11-10(8-14)12(15)17(16-11)9-4-2-1-3-5-9/h1-5H,6,15H2",GUHSDYKJSKLWJF-UHFFFAOYSA-N,C12H9N5,223.23,223.0857953,1.5,91.4,356,0,1,4,2,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrazole-4-carboxylic acid, 5-amino-1-phenyl-, ethyl ester",16078-71-0,85270,ethyl 5-amino-1-phenylpyrazole-4-carboxylate,CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N,"InChI=1S/C12H13N3O2/c1-2-17-12(16)10-8-14-15(11(10)13)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3",AYJIUOZKKTUKKD-UHFFFAOYSA-N,C12H13N3O2,231.25,231.1007767,2.3,70.1,266,0,1,4,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrazole-3-carbonitrile, 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-((trifluoromethyl)sulfonyl)-",120068-36-2,3078139,"5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfonyl)pyrazole-3-carbonitrile",C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)(=O)C(F)(F)F)N)Cl)C(F)(F)F,"InChI=1S/C12H4Cl2F6N4O2S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)27(25,26)12(18,19)20/h1-2H,22H2",LGHZJDKSVUTELU-UHFFFAOYSA-N,C12H4Cl2F6N4O2S,453.1,451.9336209,4.7,110,706,0,1,11,2,27,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrazole-3-carbonitrile, 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(ethylsulfinyl)-",181587-01-9,9930667,"5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethylsulfinylpyrazole-3-carbonitrile",CCS(=O)C1=C(N(N=C1C#N)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)N,"InChI=1S/C13H9Cl2F3N4OS/c1-2-24(23)11-9(5-19)21-22(12(11)20)10-7(14)3-6(4-8(10)15)13(16,17)18/h3-4H,2,20H2,1H3",FNELVJVBIYMIMC-UHFFFAOYSA-N,C13H9Cl2F3N4OS,397.2,395.982622,3.7,104,531,0,1,8,3,24,,,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"1H-Pyrazole-3-carbonitrile, 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(trifluoromethyl)-",205650-65-3,22673275,"5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazole-3-carbonitrile",C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)C(F)(F)F)N)Cl)C(F)(F)F,"InChI=1S/C12H4Cl2F6N4/c13-5-1-4(11(15,16)17)2-6(14)9(5)24-10(22)8(12(18,19)20)7(3-21)23-24/h1-2H,22H2",JWKXVHLIRTVXLD-UHFFFAOYSA-N,C12H4Cl2F6N4,389.08,387.9717205,4.6,67.6,506,0,1,9,1,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-PYRAZOLE, 3,5-DIMETHYL-1-PHENYL-",001131-16-4,70800,"3,5-dimethyl-1-phenylpyrazole",CC1=CC(=NN1C2=CC=CC=C2)C,"InChI=1S/C11H12N2/c1-9-8-10(2)13(12-9)11-6-4-3-5-7-11/h3-8H,1-2H3",ULPMPUPEFBDQQA-UHFFFAOYSA-N,C11H12N2,172.23,172.1000484,2.7,17.8,163,0,0,1,1,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrazole, 5-amino-1-phenyl-",826-85-7,70006,2-phenylpyrazol-3-amine,C1=CC=C(C=C1)N2C(=CC=N2)N,"InChI=1S/C9H9N3/c10-9-6-7-11-12(9)8-4-2-1-3-5-8/h1-7H,10H2",ZVNYYNAAEVZNDW-UHFFFAOYSA-N,C9H9N3,159.19,159.0796473,1.5,43.8,143,0,1,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHTHALIC ANHYDRIDE,000085-44-9,6811,"2-benzofuran-1,3-dione",C1=CC=C2C(=C1)C(=O)OC2=O,InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,LGRFSURHDFAFJT-UHFFFAOYSA-N,C8H4O3,148.11,148.016044,1.3,43.4,187,0,0,3,0,11,"305 °F (NTP, 1992)","563 °F at 760 mmHg (sublimes) (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
3-METHYL PHTHALIC ANHYDRIDE,004792-30-7,98500,"4-methyl-2-benzofuran-1,3-dione",CC1=C2C(=CC=C1)C(=O)OC2=O,"InChI=1S/C9H6O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h2-4H,1H3",TWWAWPHAOPTQEU-UHFFFAOYSA-N,C9H6O3,162.14,162.031694,1.7,43.4,234,0,0,3,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"1,3-ISOBENZOFURANDIONE, 4,5,6,7-TETRAIODO-",000632-80-4,69441,"4,5,6,7-tetraiodo-2-benzofuran-1,3-dione",C12=C(C(=C(C(=C1I)I)I)I)C(=O)OC2=O,InChI=1S/C8I4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11,UHIMKEGZFOQVHV-UHFFFAOYSA-N,C8I4O3,651.7,651.6026,3.9,43.4,291,0,0,3,0,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIMELLITIC ANHYDRIDE CHLORIDE,001204-28-0,70998,"1,3-dioxo-2-benzofuran-5-carbonyl chloride",C1=CC2=C(C=C1C(=O)Cl)C(=O)OC2=O,InChI=1S/C9H3ClO4/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12/h1-3H,NJMOHBDCGXJLNJ-UHFFFAOYSA-N,C9H3ClO4,210.57,209.9719863,1.8,60.4,312,0,0,4,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
3-NITROPHTHALIC ANHYDRIDE,000641-70-3,21631,"4-nitro-2-benzofuran-1,3-dione",C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)OC2=O,InChI=1S/C8H3NO5/c10-7-4-2-1-3-5(9(12)13)6(4)8(11)14-7/h1-3H,ROFZMKDROVBLNY-UHFFFAOYSA-N,C8H3NO5,193.11,193.0011222,1.1,89.2,307,0,0,5,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAFLUOROPHTHALIC ANHYDRIDE,000652-12-0,69545,"4,5,6,7-tetrafluoro-2-benzofuran-1,3-dione",C12=C(C(=C(C(=C1F)F)F)F)C(=O)OC2=O,InChI=1S/C8F4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11,BJDDKZDZTHIIJB-UHFFFAOYSA-N,C8F4O3,220.08,219.9783565,1.7,43.4,291,0,0,7,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,6-DIBROMOPHTHALIC ANHYDRIDE",025834-16-6,54169537,"4,7-dibromo-2-benzofuran-1,3-dione",C1=CC(=C2C(=C1Br)C(=O)OC2=O)Br,InChI=1S/C8H2Br2O3/c9-3-1-2-4(10)6-5(3)7(11)13-8(6)12/h1-2H,OUAOHMOFJGFOSR-UHFFFAOYSA-N,C8H2Br2O3,305.91,305.83502,2.7,43.4,240,0,0,3,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4,5,6,7-TETRABROMO-1,3-ISOBENZOFURANDIONE",000632-79-1,12443,"4,5,6,7-tetrabromo-2-benzofuran-1,3-dione",C12=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)OC2=O,InChI=1S/C8Br4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11,QHWKHLYUUZGSCW-UHFFFAOYSA-N,C8Br4O3,463.7,463.654,4.1,43.4,291,0,0,3,0,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
TRIMELLITIC ANHYDRIDE,000552-30-7,11089,"1,3-dioxo-2-benzofuran-5-carboxylic acid",C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O,"InChI=1S/C9H4O5/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12/h1-3H,(H,10,11)",SRPWOOOHEPICQU-UHFFFAOYSA-N,C9H4O5,192.12,192.0058732,0.8,80.7,308,0,1,5,1,14,"440.6 °F (NTP, 1992)","464 to 473 °F at 14 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,1
"Phthalic anhydride, 3-hydroxy-",37418-88-5,96580,"4-hydroxy-2-benzofuran-1,3-dione",C1=CC2=C(C(=C1)O)C(=O)OC2=O,"InChI=1S/C8H4O4/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3,9H",CCTOEAMRIIXGDJ-UHFFFAOYSA-N,C8H4O4,164.11,164.0109586,1.5,63.6,235,0,1,4,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, 2-((2-methyl-1-oxo-2-propenyl)oxy)ethyl ester",70293-55-9,51027,"2-(2-methylprop-2-enoyloxy)ethyl 1,3-dioxo-2-benzofuran-5-carboxylate",CC(=C)C(=O)OCCOC(=O)C1=CC2=C(C=C1)C(=O)OC2=O,"InChI=1S/C15H12O7/c1-8(2)12(16)20-5-6-21-13(17)9-3-4-10-11(7-9)15(19)22-14(10)18/h3-4,7H,1,5-6H2,2H3",RMCCONIRBZIDTH-UHFFFAOYSA-N,C15H12O7,304.25,304.0583027,2,96,522,0,0,7,7,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
TETRACHLOROPHTHALIC ANHYDRIDE,000117-08-8,8326,"4,5,6,7-tetrachloro-2-benzofuran-1,3-dione",C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)OC2=O,InChI=1S/C8Cl4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11,AUHHYELHRWCWEZ-UHFFFAOYSA-N,C8Cl4O3,285.9,285.857205,3.8,43.4,291,0,0,3,0,15,362 °C c.c.,"700 °F at 760 mmHg (sublimes) (NTP, 1992)",1,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,1,0,0
DESIPRAMINE HYDROCHLORIDE,000058-28-6,65327,"3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;hydrochloride",CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31.Cl,"InChI=1S/C18H22N2.ClH/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20;/h2-5,7-10,19H,6,11-14H2,1H3;1H",XAEWZDYWZHIUCT-UHFFFAOYSA-N,C18H23ClN2,302.8,302.1549764,,15.3,267,0,2,2,4,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"5H-Dibenz(b,f)azepine, 10,11-dihydro-5-(3-(methylamino)propyl)-",000050-47-5,2995,"3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine",CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31,"InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3",HCYAFALTSJYZDH-UHFFFAOYSA-N,C18H22N2,266.4,266.1782987,4.9,15.3,267,0,1,2,4,20,,172-174 °C @ 0.02 MM HG,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
IMIPRAMINE HYDROCHLORIDE,000113-52-0,8228,"3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride",CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31.Cl,"InChI=1S/C19H24N2.ClH/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21;/h3-6,8-11H,7,12-15H2,1-2H3;1H",XZZXIYZZBJDEEP-UHFFFAOYSA-N,C19H25ClN2,316.9,316.1706265,,6.5,291,0,1,2,4,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5H-Dibenz(b,f)azepine, 10,11-dihydro-5-(3-(dimethylamino)-2-methylpropyl)-, ma",000521-78-8,5282318,"(Z)-but-2-enedioic acid;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N,2-trimethylpropan-1-amine",CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)CN(C)C.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C20H26N2.C4H4O4/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22;5-3(6)1-2-4(7)8/h4-11,16H,12-15H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-",YDGHCKHAXOUQOS-BTJKTKAUSA-N,C24H30N2O4,410.5,410.2205574,,81.1,436,0,2,6,6,30,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"5H-Dibenz(b,f)azepine, 10,11-dihydro-3-chloro-5-(3-(dimethylamino)propyl)-, mo",017321-77-6,68539,"3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride",CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl.Cl,"InChI=1S/C19H23ClN2.ClH/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22;/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3;1H",WIMWMKZEIBHDTH-UHFFFAOYSA-N,C19H24Cl2N2,351.3,350.1316542,,6.5,346,0,1,2,4,23,,,1,1,1,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
"5H-DIBENZ[B,F]AZEPINE, 10,11-DIHYDRO-",000494-19-9,10308,"6,11-dihydro-5H-benzo[b][1]benzazepine",C1CC2=CC=CC=C2NC3=CC=CC=C31,"InChI=1S/C14H13N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-8,15H,9-10H2",ZSMRRZONCYIFNB-UHFFFAOYSA-N,C14H13N,195.26,195.1047994,3.8,12,191,0,1,1,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
5-ACETYLIMINODIBENZYL,013080-75-6,735931,"1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone",CC(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31,"InChI=1S/C16H15NO/c1-12(18)17-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)17/h2-9H,10-11H2,1H3",QBSUAHGUFKVVTM-UHFFFAOYSA-N,C16H15NO,237.3,237.1153641,3.1,20.3,290,0,0,1,0,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"5H-Dibenz(b,f)azepine-5-carboxamide, 10,11-dihydro-",3564-73-6,19099,"5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide",C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N,"InChI=1S/C15H14N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H2,16,18)",PHNLCHMJDSSPDQ-UHFFFAOYSA-N,C15H14N2O,238.28,238.1106131,2.3,46.3,294,0,1,1,0,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"5H-Dibenz(b,f)azepine-5-carboxamide, 10,11-dihydro-10-hydroxy-",29331-92-8,114709,"5-hydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide",C1C(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)O,"InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)",BMPDWHIDQYTSHX-UHFFFAOYSA-N,C15H14N2O2,254.28,254.1055277,1.4,66.6,347,0,2,2,0,19,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,1,0,0,1,0,0
"5H-Dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-N-methyl-N-nitroso-",57164-17-7,162811,"N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N-methylnitrous amide",CN(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)N=O,"InChI=1S/C18H21N3O/c1-20(19-22)13-6-14-21-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)21/h2-5,7-10H,6,11-14H2,1H3",OZJGLIPPPYOOCK-UHFFFAOYSA-N,C18H21N3O,295.4,295.1684623,5.3,35.9,338,0,0,4,4,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"5H-Dibenz(b,f)azepine-5-carboxamide, 10-(acetyloxy)-10,11-dihydro-, (10S)-",236395-14-5,179344,"[(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] acetate",CC(=O)O[C@H]1CC2=CC=CC=C2N(C3=CC=CC=C13)C(=O)N,"InChI=1S/C17H16N2O3/c1-11(20)22-16-10-12-6-2-4-8-14(12)19(17(18)21)15-9-5-3-7-13(15)16/h2-9,16H,10H2,1H3,(H2,18,21)/t16-/m0/s1",QIALRBLEEWJACW-INIZCTEOSA-N,C17H16N2O3,296.32,296.1160924,2,72.6,440,0,1,3,2,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5H-Dibenz(b,f)azepine, 5-(3-(dimethylamino)-2-methylpropyl)-10,11-dihydro-",739-71-9,5584,"3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N,2-trimethylpropan-1-amine",CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)CN(C)C,"InChI=1S/C20H26N2/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22/h4-11,16H,12-15H2,1-3H3",ZSCDBOWYZJWBIY-UHFFFAOYSA-N,C20H26N2,294.4,294.2095988,5.8,6.5,317,0,0,2,4,22,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"5,5'-DITHIO-BIS(2-NITROBENZOIC ACID)",000069-78-3,6254,5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid,C1=CC(=C(C=C1SSC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)O)[N+](=O)[O-],"InChI=1S/C14H8N2O8S2/c17-13(18)9-5-7(1-3-11(9)15(21)22)25-26-8-2-4-12(16(23)24)10(6-8)14(19)20/h1-6H,(H,17,18)(H,19,20)",KIUMMUBSPKGMOY-UHFFFAOYSA-N,C14H8N2O8S2,396.4,395.9722076,2.7,217,528,0,2,10,5,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3'-DIHYDROXYDIPHENYL DISULFIDE",021101-56-4,2736157,3-[(3-hydroxyphenyl)disulfanyl]phenol,C1=CC(=CC(=C1)SSC2=CC=CC(=C2)O)O,"InChI=1S/C12H10O2S2/c13-9-3-1-5-11(7-9)15-16-12-6-2-4-10(14)8-12/h1-8,13-14H",XBNOMKROXZGMFW-UHFFFAOYSA-N,C12H10O2S2,250.3,250.0122219,3.7,91.1,191,0,2,4,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2'-DITHIODIBENZOIC ACID",000119-80-2,8409,2-[(2-carboxyphenyl)disulfanyl]benzoic acid,C1=CC=C(C(=C1)C(=O)O)SSC2=CC=CC=C2C(=O)O,"InChI=1S/C14H10O4S2/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H,(H,15,16)(H,17,18)",LBEMXJWGHIEXRA-UHFFFAOYSA-N,C14H10O4S2,306.4,306.0020511,3.1,125,327,0,2,6,5,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"DISULFIDE, BIS(4-CHLOROPHENYL)",001142-19-4,14360,1-chloro-4-[(4-chlorophenyl)disulfanyl]benzene,C1=CC(=CC=C1SSC2=CC=C(C=C2)Cl)Cl,InChI=1S/C12H8Cl2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H,ZIXXRXGPBFMPFD-UHFFFAOYSA-N,C12H8Cl2S2,287.2,285.944448,5.7,50.6,175,0,0,2,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DISULFIDE, BIS(4-METHYL-2-NITROPHENYL)",035350-31-3,98670,4-methyl-1-[(4-methyl-2-nitrophenyl)disulfanyl]-2-nitrobenzene,CC1=CC(=C(C=C1)SSC2=C(C=C(C=C2)C)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C14H12N2O4S2/c1-9-3-5-13(11(7-9)15(17)18)21-22-14-6-4-10(2)8-12(14)16(19)20/h3-8H,1-2H3",MBTLEECRJWKPIP-UHFFFAOYSA-N,C14H12N2O4S2,336.4,336.0238492,4.1,142,375,0,0,6,3,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DISULFIDE, BIS(2,4-DINITROPHENYL)",002217-55-2,75196,"1-[(2,4-dinitrophenyl)disulfanyl]-2,4-dinitrobenzene",C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C12H6N4O8S2/c17-13(18)7-1-3-11(9(5-7)15(21)22)25-26-12-4-2-8(14(19)20)6-10(12)16(23)24/h1-6H,FZSBDDXXXSWEEW-UHFFFAOYSA-N,C12H6N4O8S2,398.3,397.9627055,3,234,522,0,0,10,3,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"DISULFIDE, BIS(3-NITROPHENYL)",000537-91-7,10842,1-nitro-3-[(3-nitrophenyl)disulfanyl]benzene,C1=CC(=CC(=C1)SSC2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C12H8N2O4S2/c15-13(16)9-3-1-5-11(7-9)19-20-12-6-2-4-10(8-12)14(17)18/h1-8H,ODOFDWDUSSFUMN-UHFFFAOYSA-N,C12H8N2O4S2,308.3,307.9925491,4.1,142,324,0,0,6,3,20,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Aniline, 2,2'-dithiobis-",1141-88-4,14358,2-[(2-aminophenyl)disulfanyl]aniline,C1=CC=C(C(=C1)N)SSC2=CC=CC=C2N,"InChI=1S/C12H12N2S2/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8H,13-14H2",YYYOQURZQWIILK-UHFFFAOYSA-N,C12H12N2S2,248.4,248.0441907,3.1,103,191,0,2,4,3,16,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"Aniline, p,p'-dithiobis(N,N-dimethyl-",5397-29-5,94743,"4-[[4-(dimethylamino)phenyl]disulfanyl]-N,N-dimethylaniline",CN(C)C1=CC=C(C=C1)SSC2=CC=C(C=C2)N(C)C,"InChI=1S/C16H20N2S2/c1-17(2)13-5-9-15(10-6-13)19-20-16-11-7-14(8-12-16)18(3)4/h5-12H,1-4H3",KKCFDYUJPVROAI-UHFFFAOYSA-N,C16H20N2S2,304.5,304.106791,4.3,57.1,240,0,0,4,5,20,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 4,4'-dithiobis-",15015-57-3,280665,4-[(4-hydroxyphenyl)disulfanyl]phenol,C1=CC(=CC=C1O)SSC2=CC=C(C=C2)O,"InChI=1S/C12H10O2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8,13-14H",XGKGITBBMXTKTE-UHFFFAOYSA-N,C12H10O2S2,250.3,250.0122219,3.7,91.1,175,0,2,4,3,16,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
4-AMINOPHENYL DISULFIDE,000722-27-0,12875,4-[(4-aminophenyl)disulfanyl]aniline,C1=CC(=CC=C1N)SSC2=CC=C(C=C2)N,"InChI=1S/C12H12N2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H,13-14H2",MERLDGDYUMSLAY-UHFFFAOYSA-N,C12H12N2S2,248.4,248.0441907,3,103,175,0,2,4,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DISULFIDE, BIS(4-CHLORO-2-NITROPHENYL)",002050-66-0,74907,4-chloro-1-[(4-chloro-2-nitrophenyl)disulfanyl]-2-nitrobenzene,C1=CC(=C(C=C1Cl)[N+](=O)[O-])SSC2=C(C=C(C=C2)Cl)[N+](=O)[O-],InChI=1S/C12H6Cl2N2O4S2/c13-7-1-3-11(9(5-7)15(17)18)21-22-12-4-2-8(14)6-10(12)16(19)20/h1-6H,DESADCWXGJLRSR-UHFFFAOYSA-N,C12H6Cl2N2O4S2,377.2,375.9146044,4.6,142,383,0,0,6,3,22,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
CYCLODODECANAMINE,001502-03-0,2897,cyclododecanamine,C1CCCCCC(CCCCC1)N,"InChI=1S/C12H25N/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11,13H2",HBGGBCVEFUPUNY-UHFFFAOYSA-N,C12H25N,183.33,183.1986998,3.5,26,99,0,1,1,0,13,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLODODECANE, (ETHOXYMETHOXY)-",058567-11-6,94111,ethoxymethoxycyclododecane,CCOCOC1CCCCCCCCCCC1,"InChI=1S/C15H30O2/c1-2-16-14-17-15-12-10-8-6-4-3-5-7-9-11-13-15/h15H,2-14H2,1H3",VQNUNMBDOKEZHS-UHFFFAOYSA-N,C15H30O2,242.4,242.2245802,5.5,18.5,147,0,0,2,4,17,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"CYCLODODECANOL, FORMATE",059052-82-3,100936,cyclododecyl formate,C1CCCCCC(CCCCC1)OC=O,"InChI=1S/C13H24O2/c14-12-15-13-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2",WGFQFIYJBLNXIF-UHFFFAOYSA-N,C13H24O2,212.33,212.17763,5.2,26.3,145,0,0,2,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,5,6,9,10-HEXABROMOCYCLODODECANE",003194-55-6,18529,"1,2,5,6,9,10-hexabromocyclododecane",C1CC(C(CCC(C(CCC(C1Br)Br)Br)Br)Br)Br,"InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2",DEIGXXQKDWULML-UHFFFAOYSA-N,C12H18Br6,641.7,641.64473,7.1,0,175,0,0,0,0,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
HEXABROMOCYCLODODECANE,025637-99-4,33121,"1,3,5,7,9,11-hexabromocyclododecane",C1C(CC(CC(CC(CC(CC1Br)Br)Br)Br)Br)Br,"InChI=1S/C12H18Br6/c13-7-1-8(14)3-10(16)5-12(18)6-11(17)4-9(15)2-7/h7-12H,1-6H2",LEOCKULGXOQRTQ-UHFFFAOYSA-N,C12H18Br6,641.7,641.64473,7.1,0,151,0,0,0,0,18,,Decomposes >190 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"CYCLODODECANEETHANOL, .BETA.-METHYL-",118562-73-5,9815980,2-cyclododecylpropan-1-ol,CC(CO)C1CCCCCCCCCCC1,"InChI=1S/C15H30O/c1-14(13-16)15-11-9-7-5-3-2-4-6-8-10-12-15/h14-16H,2-13H2,1H3",WKHTUDYDJUHYMK-UHFFFAOYSA-N,C15H30O,226.4,226.2296656,6.3,20.2,144,0,1,1,2,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CYCLODODECANOL,001724-39-6,15595,cyclododecanol,C1CCCCCC(CCCCC1)O,"InChI=1S/C12H24O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12-13H,1-11H2",SFVWPXMPRCIVOK-UHFFFAOYSA-N,C12H24O,184.32,184.1827154,3.8,20.2,99,0,1,1,0,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLODODECANE, 1,1-DIMETHOXY-",000950-33-4,70368,"1,1-dimethoxycyclododecane",COC1(CCCCCCCCCCC1)OC,"InChI=1S/C14H28O2/c1-15-14(16-2)12-10-8-6-4-3-5-7-9-11-13-14/h3-13H2,1-2H3",XXNCXSHVDVCRKB-UHFFFAOYSA-N,C14H28O2,228.37,228.2089301,4.9,18.5,150,0,0,2,2,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CYCLODODECANE,000294-62-2,9268,cyclododecane,C1CCCCCCCCCCC1,InChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2,DDTBPAQBQHZRDW-UHFFFAOYSA-N,C12H24,168.32,168.1878008,6.7,0,43,0,0,0,0,12,,247 °C,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2R,5R,6S,9R,10S)-",134237-51-7,13040187,"(1R,2R,5S,6R,9S,10R)-1,2,5,6,9,10-hexabromocyclododecane",C1C[C@H]([C@H](CC[C@H]([C@H](CC[C@H]([C@@H]1Br)Br)Br)Br)Br)Br,"InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2/t7-,8-,9-,10+,11+,12-/m1/s1",DEIGXXQKDWULML-UFVWWTPHSA-N,C12H18Br6,641.7,641.64473,7.1,0,175,0,0,0,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2R,5R,6S,9S,10R)-",134237-52-8,11377211,"(1R,2R,5R,6S,9S,10R)-1,2,5,6,9,10-hexabromocyclododecane",C1C[C@H]([C@H](CC[C@@H]([C@@H](CC[C@H]([C@@H]1Br)Br)Br)Br)Br)Br,"InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2/t7-,8-,9-,10+,11-,12+/m1/s1",DEIGXXQKDWULML-MOCCIAMBSA-N,C12H18Br6,641.7,641.64473,7.1,0,175,0,0,0,0,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"CYCLODODECANE, METHOXY-",002986-54-1,76334,methoxycyclododecane,COC1CCCCCCCCCCC1,"InChI=1S/C13H26O/c1-14-13-11-9-7-5-3-2-4-6-8-10-12-13/h13H,2-12H2,1H3",WDSOYUINLRIGNV-UHFFFAOYSA-N,C13H26O,198.34,198.1983654,4.3,9.2,110,0,0,1,1,14,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2R,5S,6R,9R,10S)-rel-",134237-50-6,11763618,"(1R,2R,5S,6R,9R,10S)-1,2,5,6,9,10-hexabromocyclododecane",C1C[C@H]([C@H](CC[C@H]([C@@H](CC[C@@H]([C@@H]1Br)Br)Br)Br)Br)Br,"InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2/t7-,8-,9+,10+,11-,12-/m1/s1",DEIGXXQKDWULML-PQTSNVLCSA-N,C12H18Br6,641.7,641.64473,7.1,0,175,0,0,0,0,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
ARSENAZO I,000520-10-5,68217,"3-[(2-arsonophenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid",C1=CC=C(C(=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)O)O)[As](=O)(O)O,"InChI=1S/C16H13AsN2O11S2/c20-12-7-9(31(25,26)27)5-8-6-13(32(28,29)30)15(16(21)14(8)12)19-18-11-4-2-1-3-10(11)17(22,23)24/h1-7,20-21H,(H2,22,23,24)(H,25,26,27)(H,28,29,30)",NJZWLEZSGOTSHR-UHFFFAOYSA-N,C16H13AsN2O11S2,548.3,547.917671,,248,971,0,6,13,5,32,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,5-NAPHTHALENEDISULFONIC ACID, 3-[(4-AMINO-2-METHYLPHENYL)AZO]-",000084-94-6,66546,"3-[(4-amino-2-methylphenyl)diazenyl]naphthalene-1,5-disulfonic acid",CC1=C(C=CC(=C1)N)N=NC2=CC3=C(C=CC=C3S(=O)(=O)O)C(=C2)S(=O)(=O)O,"InChI=1S/C17H15N3O6S2/c1-10-7-11(18)5-6-15(10)20-19-12-8-14-13(17(9-12)28(24,25)26)3-2-4-16(14)27(21,22)23/h2-9H,18H2,1H3,(H,21,22,23)(H,24,25,26)",XXZDPVOWJBCNQC-UHFFFAOYSA-N,C17H15N3O6S2,421.5,421.0402276,2.1,176,789,0,3,9,4,28,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-NAPHTHALENEDISULFONIC ACID, 7-[(4-AMINO-3-METHOXYPHENYL)AZO]-, DISODIUM SA",065151-26-0,103260,"disodium;7-[(4-amino-3-methoxyphenyl)diazenyl]naphthalene-1,3-disulfonate",COC1=C(C=CC(=C1)N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+],"InChI=1S/C17H15N3O7S2.2Na/c1-27-16-8-12(4-5-15(16)18)20-19-11-3-2-10-6-13(28(21,22)23)9-17(14(10)7-11)29(24,25)26;;/h2-9H,18H2,1H3,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2",QRSFZPZKWSGHRQ-UHFFFAOYSA-L,C17H13N3Na2O7S2,481.4,480.9990307,,191,779,0,1,10,3,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CHROMOTROPE 2B,000548-80-1,68360,"disodium;4,5-dihydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate",C1=CC(=CC=C1N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])O)O)[N+](=O)[O-].[Na+].[Na+],"InChI=1S/C16H11N3O10S2.2Na/c20-12-7-11(30(24,25)26)5-8-6-13(31(27,28)29)15(16(21)14(8)12)18-17-9-1-3-10(4-2-9)19(22)23;;/h1-7,20-21H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",AXUUHWJXDWBCSG-UHFFFAOYSA-L,C16H9N3Na2O10S2,513.4,512.9524744,,242,873,0,2,12,2,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NITRO RED,056431-61-9,91856,"disodium;4-amino-5-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate",C1=CC(=CC=C1N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])O)N)[N+](=O)[O-].[Na+].[Na+],"InChI=1S/C16H12N4O9S2.2Na/c17-15-14-8(5-11(7-12(14)21)30(24,25)26)6-13(31(27,28)29)16(15)19-18-9-1-3-10(4-2-9)20(22)23;;/h1-7,21H,17H2,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",XCFVSYWEMCQEOH-UHFFFAOYSA-L,C16H10N4Na2O9S2,512.4,511.9684588,,248,874,0,2,12,2,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,7-NAPHTHALENEDISULFONIC ACID, 3-[(2,4-DINITROPHENYL)AZO]-4-HYDROXY-, DISODIU",005423-07-4,79465,"disodium;3-[(2,4-dinitrophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate",C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N=NC2=C(C=C3C=C(C=CC3=C2O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C16H10N4O11S2.2Na/c21-16-11-3-2-10(32(26,27)28)5-8(11)6-14(33(29,30)31)15(16)18-17-12-4-1-9(19(22)23)7-13(12)20(24)25;;/h1-7,21H,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2",XBLIFEQTVVSTIM-UHFFFAOYSA-L,C16H8N4Na2O11S2,542.4,541.942638,,268,969,0,1,13,2,35,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-NAPHTHALENESULFONIC ACID, 7-(ACETYLAMINO)-4-HYDROXY-3-[[4-[[2-(SULFOOXY)ETHY",085536-87-4,174475,disodium;7-acetamido-4-hydroxy-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonate,CC(=O)NC1=CC2=CC(=C(C(=C2C=C1)O)N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C20H19N3O11S3.2Na/c1-12(24)21-15-4-7-17-13(10-15)11-18(36(28,29)30)19(20(17)25)23-22-14-2-5-16(6-3-14)35(26,27)9-8-34-37(31,32)33;;/h2-7,10-11,25H,8-9H2,1H3,(H,21,24)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",GQYBFALQKPKBPK-UHFFFAOYSA-L,C20H17N3Na2O11S3,617.5,616.9820605,,257,1120,0,2,13,7,39,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 3-[(4-AMINOPHENYL)AZO]-4,5-DIHYDROXY-, DISODIU",001681-60-3,74307,"disodium;3-[(4-aminophenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonate",C1=CC(=CC=C1N)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])O)O.[Na+].[Na+],"InChI=1S/C16H13N3O8S2.2Na/c17-9-1-3-10(4-2-9)18-19-15-13(29(25,26)27)6-8-5-11(28(22,23)24)7-12(20)14(8)16(15)21;;/h1-7,20-21H,17H2,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2",BBWPEJUNPNPWJI-UHFFFAOYSA-L,C16H11N3Na2O8S2,483.4,482.9782952,,222,787,0,3,11,2,31,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 3-[(1,5-DIHYDROXY-2-NAPHTHALENYL)AZO]-4-HYDROXY-, MONOSO",002052-25-7,16333,"3-[(1,5-dihydroxynaphthalen-2-yl)diazenyl]-4-hydroxybenzenesulfonic acid",C1=CC2=C(C=CC(=C2O)N=NC3=C(C=CC(=C3)S(=O)(=O)O)O)C(=C1)O,"InChI=1S/C16H12N2O6S/c19-14-3-1-2-11-10(14)5-6-12(16(11)21)17-18-13-8-9(25(22,23)24)4-7-15(13)20/h1-8,19-21H,(H,22,23,24)",HETKNRGJVSOOEF-UHFFFAOYSA-N,C16H12N2O6S,360.3,360.0416073,2.6,148,592,0,4,8,3,25,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3-(phenylazo)-, disodium salt",7/3/97,20172,"disodium;4,5-dihydroxy-3-phenyldiazenylnaphthalene-2,7-disulfonate",C1=CC=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])O)O.[Na+].[Na+],"InChI=1S/C16H12N2O8S2.2Na/c19-12-8-11(27(21,22)23)6-9-7-13(28(24,25)26)15(16(20)14(9)12)18-17-10-4-2-1-3-5-10;;/h1-8,19-20H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2",GXEAXHYQKZAJGB-UHFFFAOYSA-L,C16H10N2Na2O8S2,468.4,467.9673962,,196,756,0,2,10,2,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,7-NAPHTHALENEDISULFONIC ACID, 5-(ACETYLAMINO)-3-[(4-DODECYLPHENYL)AZO]-4-HYD",015792-43-5,85109,"disodium;5-acetamido-3-[(4-dodecylphenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate",CCCCCCCCCCCCC1=CC=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C)O.[Na+].[Na+],"InChI=1S/C30H39N3O8S2.2Na/c1-3-4-5-6-7-8-9-10-11-12-13-22-14-16-24(17-15-22)32-33-29-27(43(39,40)41)19-23-18-25(42(36,37)38)20-26(31-21(2)34)28(23)30(29)35;;/h14-20,35H,3-13H2,1-2H3,(H,31,34)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2",CZWHGIACASUWJC-UHFFFAOYSA-L,C30H37N3Na2O8S2,677.7,677.1817461,,205,1070,0,2,10,14,45,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
GUANOSINE,000118-00-3,135398635,"2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one",C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,"InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1",NYHBQMYGNKIUIF-UUOKFMHZSA-N,C10H13N5O5,283.24,283.0916685,-1.9,155,446,0,5,7,2,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2'-DEOXYGUANOSINE MONOHYDRATE,312693-72-4,135445705,"2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;hydrate",C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)CO)O.O,"InChI=1S/C10H13N5O4.H2O/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6;/h3-6,16-17H,1-2H2,(H3,11,13,14,18);1H2/t4-,5+,6+;/m0./s1",LZSCQUCOIRGCEJ-FPKZOZHISA-N,C10H15N5O5,285.26,285.1073186,,136,417,0,5,7,2,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
GUANOSINE 5'-O-(2-THIODIPHOSPHATE)TRILITHIUM,097952-36-8,136033713,"trilithium;[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dioxidophosphinothioyl phosphate",[Li+].[Li+].[Li+].C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=S)([O-])[O-])O)O)N=C(NC2=O)N,"InChI=1S/C10H15N5O10P2S.3Li/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(24-9)1-23-26(19,20)25-27(21,22)28;;;/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H2,21,22,28)(H3,11,13,14,18);;;/q;3*+1/p-3/t3-,5-,6-,9-;;;/m1.../s1",LMCWQGPJYZRMKU-CYCLDIHTSA-K,C10H12Li3N5O10P2S,477.1,477.0260221,,272,757,0,4,13,6,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2'-DEOXYGUANOSINE 3'-MONOPHOSPHATE SODIUM,102814-03-9,137156387,,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)CO)OP(=O)(O)O.[Na],"InChI=1S/C10H14N5O7P.Na/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(5(2-16)21-6)22-23(18,19)20;/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17);/t4-,5+,6+;/m0./s1",GEGFTMKCNORDFG-FPKZOZHISA-N,C10H14N5NaO7P,370.21,370.0528541,,182,568,0,5,9,4,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-METHYLGUANOSINE,002140-65-0,96373,"2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-6-one",CN1C(=O)C2=C(N=C1N)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,"InChI=1S/C11H15N5O5/c1-15-9(20)5-8(14-11(15)12)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14)/t4-,6-,7-,10-/m1/s1",UTAIYTHAJQNQDW-KQYNXXCUSA-N,C11H15N5O5,297.27,297.1073186,-1.7,146,474,0,4,7,2,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
INOSINE 5'-TRIPHOSPHATE TRISODIUM SALT,035908-31-7,135742691,"trisodium;[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate",C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)O.[Na+].[Na+].[Na+],"InChI=1S/C10H15N4O14P3.3Na/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;;/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20);;;/q;3*+1/p-3/t4-,6-,7-,10-;;;/m1.../s1",QRGLCGLOQVQVCS-MSQVLRTGSA-K,C10H12N4Na3O14P3,574.11,573.9255949,,277,862,0,4,16,8,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
INOSINE 5'-MONOPHOSPHATE DISODIUM SALT HYDRATE,352195-40-5,135565601,"disodium;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate;hydrate",C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O.O.[Na+].[Na+],"InChI=1S/C10H13N4O8P.2Na.H2O/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;;/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);;;1H2/q;2*+1;/p-2/t4-,6-,7-,10-;;;/m1.../s1",KQCIGEIXDXQSGM-MSQVLRTGSA-L,C10H13N4Na2O9P,410.18,410.0215536,,182,543,0,4,11,3,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
C.I. REACTIVE RED 31,012237-00-2,135460966,"[(2R,3R,4R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate",C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,"InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(23-24(19,20)21)5(17)3(1-16)22-9/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1",WTIFIAZWCCBCGE-UUOKFMHZSA-N,C10H14N5O8P,363.22,363.0579994,-3,202,598,0,6,10,4,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Guanine, 9-(beta-D-arabinofuranosyl)-",38819-10-2,135499520,"2-amino-9-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one",C1=NC2=C(N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,"InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6+,9-/m1/s1",NYHBQMYGNKIUIF-FJFJXFQQSA-N,C10H13N5O5,283.24,283.0916685,-1.9,155,446,0,5,7,2,20,,,0,0,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
2'-DEOXYGUANOSINE,000961-07-9,135398592,"2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one",C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)CO)O,"InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1",YKBGVTZYEHREMT-KVQBGUIXSA-N,C10H13N5O4,267.24,267.0967539,-0.9,135,417,0,4,6,2,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, 4-[(2-CHLOROPHENYL)[4-(ETHYLIMINO)-3-METHYL-2,5-CYCLOHEXADIEN-1-Y",003943-82-6,107481,"4-[(2-chlorophenyl)-(4-ethylimino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-N-ethyl-2-methylaniline;hydrochloride",CCNC1=C(C=C(C=C1)C(=C2C=CC(=NCC)C(=C2)C)C3=CC=CC=C3Cl)C.Cl,"InChI=1S/C25H27ClN2.ClH/c1-5-27-23-13-11-19(15-17(23)3)25(21-9-7-8-10-22(21)26)20-12-14-24(28-6-2)18(4)16-20;/h7-16,27H,5-6H2,1-4H3;1H",MDOWYKFAQVNQJR-UHFFFAOYSA-N,C25H28Cl2N2,427.4,426.1629543,,24.4,657,0,2,2,5,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MAGENTA II (MAGENTA CONTAINING C.I. BASIC RED 9),026261-57-4,5463951,"4-[(Z)-(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline;hydrochloride",CC1=C/C(=C(/C2=CC=C(C=C2)N)\C3=CC(=C(C=C3)N)C)/C=CC1=N.Cl,"InChI=1S/C21H21N3.ClH/c1-13-11-16(5-9-19(13)23)21(15-3-7-18(22)8-4-15)17-6-10-20(24)14(2)12-17;/h3-12,23H,22,24H2,1-2H3;1H/b21-16-,23-19?;",HZLHRDBTVSZCBS-GHTYLULLSA-N,C21H22ClN3,351.9,351.1502254,,75.9,576,0,4,3,2,25,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CARBOL-FUCHSIN SOLUTION,,5748567,"4-[(E)-(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline;hydrochloride",CC1=C/C(=C(\C2=CC=C(C=C2)N)/C3=CC(=C(C=C3)N)C)/C=CC1=N.Cl,"InChI=1S/C21H21N3.ClH/c1-13-11-16(5-9-19(13)23)21(15-3-7-18(22)8-4-15)17-6-10-20(24)14(2)12-17;/h3-12,23H,22,24H2,1-2H3;1H/b21-16+,23-19?;",HZLHRDBTVSZCBS-UVJJDBRNSA-N,C21H22ClN3,351.9,351.1502254,,75.9,576,0,4,3,2,25,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ACID FUCHSIN,003244-88-0,16219374,"disodium;(3E)-3-[(4-amino-3-sulfonatophenyl)-(4-amino-3-sulfophenyl)methylidene]-6-imino-5-methylcyclohexa-1,4-diene-1-sulfonate",CC1=C/C(=C(\C2=CC(=C(C=C2)N)S(=O)(=O)O)/C3=CC(=C(C=C3)N)S(=O)(=O)[O-])/C=C(C1=N)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C20H19N3O9S3.2Na/c1-10-6-13(9-18(20(10)23)35(30,31)32)19(11-2-4-14(21)16(7-11)33(24,25)26)12-3-5-15(22)17(8-12)34(27,28)29;;/h2-9,23H,21-22H2,1H3,(H,24,25,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2",WZRZTHMJPHPAMU-UHFFFAOYSA-L,C20H17N3Na2O9S3,585.5,584.9922312,,270,1270,0,4,12,3,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-((4-IMINO-3-METHYL-2,5-CYCLOHEXADIEN-1-YLIDENE)METHYLENE)BIS(2-METHYL-BENZENAMINE, HYDROCHLORIDE (1:1)",003248-91-7,14454445,"4-[(4-amino-3-methylphenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline;hydrochloride",CC1=CC(=C(C2=CC(=C(C=C2)N)C)C3=CC(=C(C=C3)N)C)C=CC1=N.Cl,"InChI=1S/C22H23N3.ClH/c1-13-10-16(4-7-19(13)23)22(17-5-8-20(24)14(2)11-17)18-6-9-21(25)15(3)12-18;/h4-12,23H,24-25H2,1-3H3;1H",IPSIPYMEZZPCPY-UHFFFAOYSA-N,C22H24ClN3,365.9,365.1658755,,75.9,585,0,4,3,2,26,,,1,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,1,0,1,1
"BENZENAMINE, 4-[(2,6-DICHLOROPHENYL)(4-IMINO-3,5-DIMETHYL-2,5-CYCLOHEXADIEN-1-",074578-10-2,173294,"4-[(2,6-dichlorophenyl)-(4-imino-3,5-dimethylcyclohexa-2,5-dien-1-ylidene)methyl]-2,6-dimethylaniline;phosphoric acid",CC1=CC(=CC(=C1N)C)C(=C2C=C(C(=N)C(=C2)C)C)C3=C(C=CC=C3Cl)Cl.OP(=O)(O)O,"InChI=1S/C23H22Cl2N2.H3O4P/c1-12-8-16(9-13(2)22(12)26)20(21-18(24)6-5-7-19(21)25)17-10-14(3)23(27)15(4)11-17;1-5(2,3)4/h5-11,26H,27H2,1-4H3;(H3,1,2,3,4)",RJKYUPXJBBSRML-UHFFFAOYSA-N,C23H25Cl2N2O4P,495.3,494.0928997,,128,694,0,5,6,2,32,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0
"BENZENAMINE, 4-[(4-AMINOPHENYL)(4-IMINO-2,5-CYCLOHEXADIEN-1-YLIDENE)METHYL]-,",006035-94-5,111137,"acetic acid;4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline",CC(=O)O.C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N,"InChI=1S/C19H17N3.C2H4O2/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;1-2(3)4/h1-12,20H,21-22H2;1H3,(H,3,4)",YIXIVOYGLPFDCY-UHFFFAOYSA-N,C21H21N3O2,347.4,347.1633769,,113,488,0,4,5,2,26,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
METHYL VIOLET,008004-87-3,196986,"4-[[4-(dimethylamino)phenyl]-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline;hydrochloride",CN=C1C=CC(=C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C=C1.Cl,"InChI=1S/C24H27N3.ClH/c1-25-21-12-6-18(7-13-21)24(19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5;/h6-17H,1-5H3;1H",JFTBTTPUYRGXDG-UHFFFAOYSA-N,C24H28ClN3,393.9,393.1971756,,18.8,560,0,1,3,4,28,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, 4-[(4-AMINOPHENYL)(4-IMINO-2,5-CYCLOHEXADIEN-1-YLIDENE)METHYL]-,",061467-64-9,109088,"4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;nitric acid",C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.[N+](=O)(O)[O-],"InChI=1S/C19H17N3.HNO3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;2-1(3)4/h1-12,20H,21-22H2;(H,2,3,4)",IAAAHGSYZYMPLR-UHFFFAOYSA-N,C19H18N4O3,350.4,350.1378905,,142,482,0,4,6,2,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-HYDROXYBENZOTRIAZOLE HYDRATE (STABILIZED WITH WATER),123333-53-9,2796029,1-hydroxybenzotriazole;hydrate,C1=CC=C2C(=C1)N=NN2O.O,"InChI=1S/C6H5N3O.H2O/c10-9-6-4-2-1-3-5(6)7-8-9;/h1-4,10H;1H2",PJUPKRYGDFTMTM-UHFFFAOYSA-N,C6H7N3O2,153.14,153.0538265,,51.9,130,0,2,4,0,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-HYDROXYBENZOTRIAZOLE,002592-95-2,75771,1-hydroxybenzotriazole,C1=CC=C2C(=C1)N=NN2O,"InChI=1S/C6H5N3O/c10-9-6-4-2-1-3-5(6)7-8-9/h1-4,10H",ASOKPJOREAFHNY-UHFFFAOYSA-N,C6H5N3O,135.12,135.0432618,1.2,50.9,130,0,1,3,0,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRI(DIMETHYLAMINO)BENZOTRIAZOL-1-YLOXYPHOSPHONIUM HEXAFLUOROPHOSPHATE,056602-33-6,151348,benzotriazol-1-yloxy-tris(dimethylamino)phosphanium hexafluorophosphate,CN(C)[P+](N(C)C)(N(C)C)ON1C2=CC=CC=C2N=N1.F[P-](F)(F)(F)(F)F,"InChI=1S/C12H22N6OP.F6P/c1-15(2)20(16(3)4,17(5)6)19-18-12-10-8-7-9-11(12)13-14-18;1-7(2,3,4,5)6/h7-10H,1-6H3;/q+1;-1",MGEVGECQZUIPSV-UHFFFAOYSA-N,C12H22F6N6OP2,442.28,442.1234523,,49.7,368,0,0,13,5,27,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"O-(1H-BENZOTRIAZOL-1-YL)-N,N,N',N'-TETRAMETHYLURONIUM TETRAFLUOROBORATE",125700-67-6,2733207,[benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate,[B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C2=CC=CC=C2N=N1,"InChI=1S/C11H16N5O.BF4/c1-14(2)11(15(3)4)17-16-10-8-6-5-7-9(10)12-13-16;2-1(3,4)5/h5-8H,1-4H3;/q+1;-1",JKEKMBGUVUKMQB-UHFFFAOYSA-N,C11H16BF4N5O,321.08,321.138403,,46.2,306,0,0,8,3,22,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,1,0,1
"2,2'-(((5-METHYL-1H-BENZOTRIAZOL-1-YL)METHYL)IMINO)BISETHANOL",080584-88-9,13827790,2-[2-hydroxyethyl-[(5-methylbenzotriazol-1-yl)methyl]amino]ethanol,CC1=CC2=C(C=C1)N(N=N2)CN(CCO)CCO,"InChI=1S/C12H18N4O2/c1-10-2-3-12-11(8-10)13-14-16(12)9-15(4-6-17)5-7-18/h2-3,8,17-18H,4-7,9H2,1H3",HHYPDQBCLQZKLI-UHFFFAOYSA-N,C12H18N4O2,250.3,250.1429758,0.2,74.4,248,0,2,5,6,18,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"2,2'-(((4-METHYL-1H-BENZOTRIAZOL-1-YL)METHYL)IMINO)BISETHANOL",080584-89-0,174688,2-[2-hydroxyethyl-[(4-methylbenzotriazol-1-yl)methyl]amino]ethanol,CC1=C2C(=CC=C1)N(N=N2)CN(CCO)CCO,"InChI=1S/C12H18N4O2/c1-10-3-2-4-11-12(10)13-14-16(11)9-15(5-7-17)6-8-18/h2-4,17-18H,5-9H2,1H3",ZUHDIDYOAZNPBV-UHFFFAOYSA-N,C12H18N4O2,250.3,250.1429758,0.2,74.4,248,0,2,5,6,18,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
1H-BENZOTRIAZOLE-1-ACETONITRILE,111198-08-4,786302,2-(benzotriazol-1-yl)acetonitrile,C1=CC=C2C(=C1)N=NN2CC#N,"InChI=1S/C8H6N4/c9-5-6-12-8-4-2-1-3-7(8)10-11-12/h1-4H,6H2",DIFOLZGBHRDEFT-UHFFFAOYSA-N,C8H6N4,158.16,158.0592462,1.2,54.5,206,0,0,3,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-(CHLOROMETHYL)-1H-BENZOTRIAZOLE,0541787-96-1,3328222,1-(chloromethyl)benzotriazole,C1=CC=C2C(=C1)N=NN2CCl,"InChI=1S/C7H6ClN3/c8-5-11-7-4-2-1-3-6(7)9-10-11/h1-4H,5H2",VSEROABGEVRIRY-UHFFFAOYSA-N,C7H6ClN3,167.59,167.0250249,1.9,30.7,142,0,0,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1H-BENZOTRIAZOL-1-AMINE,001614-12-6,1367,benzotriazol-1-amine,C1=CC=C2C(=C1)N=NN2N,"InChI=1S/C6H6N4/c7-10-6-4-2-1-3-5(6)8-9-10/h1-4H,7H2",JCXKHYLLVKZPKE-UHFFFAOYSA-N,C6H6N4,134.14,134.0592462,0.9,56.7,127,0,1,3,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-BENZOTRIAZOLE-1-METHANAMINE, N,N-BIS(2-ETHYLHEXYL)-",080301-64-0,166520,N-(benzotriazol-1-ylmethyl)-2-ethyl-N-(2-ethylhexyl)hexan-1-amine,CCCCC(CC)CN(CC(CC)CCCC)CN1C2=CC=CC=C2N=N1,"InChI=1S/C23H40N4/c1-5-9-13-20(7-3)17-26(18-21(8-4)14-10-6-2)19-27-23-16-12-11-15-22(23)24-25-27/h11-12,15-16,20-21H,5-10,13-14,17-19H2,1-4H3",OKQVTLCUHATGDD-UHFFFAOYSA-N,C23H40N4,372.6,372.3252973,7.6,34,357,0,0,3,14,27,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"1H-Benzotriazole, 1-methyl-",13351-73-0,25902,1-methylbenzotriazole,CN1C2=CC=CC=C2N=N1,"InChI=1S/C7H7N3/c1-10-7-5-3-2-4-6(7)8-9-10/h2-5H,1H3",HXQHRUJXQJEGER-UHFFFAOYSA-N,C7H7N3,133.15,133.0639972,1.1,30.7,126,0,0,2,0,10,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Benzotriazole-1-acetic acid, alpha,6-dimethyl-",,313450,2-(benzotriazol-1-yl)acetic acid,C1=CC=C2C(=C1)N=NN2CC(=O)O,"InChI=1S/C8H7N3O2/c12-8(13)5-11-7-4-2-1-3-6(7)9-10-11/h1-4H,5H2,(H,12,13)",QOXXZTPKJWPIDK-UHFFFAOYSA-N,C8H7N3O2,177.16,177.0538265,0.6,68,210,0,1,4,2,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,3,7,8-PENTACHLORODIBENZO--DIOXIN",040321-76-4,38439,"1,2,3,7,8-pentachlorodibenzo-p-dioxin",C1=C2C(=CC(=C1Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl,InChI=1S/C12H3Cl5O2/c13-4-1-7-8(2-5(4)14)19-12-9(18-7)3-6(15)10(16)11(12)17/h1-3H,FSPZPQQWDODWAU-UHFFFAOYSA-N,C12H3Cl5O2,356.4,355.854618,6.6,18.5,344,0,0,2,0,19,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Dibenzo-p-dioxin, 1,3,6,8-tetrachloro-",033423-92-6,36474,"1,3,6,8-tetrachlorodibenzo-p-dioxin",C1=C(C=C(C2=C1OC3=C(O2)C=C(C=C3Cl)Cl)Cl)Cl,InChI=1S/C12H4Cl4O2/c13-5-1-7(15)11-9(3-5)18-12-8(16)2-6(14)4-10(12)17-11/h1-4H,OTQFXRBLGNEOGH-UHFFFAOYSA-N,C12H4Cl4O2,322,321.89359,6.3,18.5,286,0,0,2,0,18,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,3,4,7,8-HEXACHLORODIBENZO-P-DIOXIN",039227-28-6,38251,"1,2,3,4,7,8-hexachlorodibenzo-p-dioxin",C1=C2C(=CC(=C1Cl)Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl,InChI=1S/C12H2Cl6O2/c13-3-1-5-6(2-4(3)14)20-12-10(18)8(16)7(15)9(17)11(12)19-5/h1-2H,WCYYQNSQJHPVMG-UHFFFAOYSA-N,C12H2Cl6O2,390.9,389.815645,8.4,18.5,338,0,0,2,0,20,,,1,0,0,1,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,1
"1,2,3,4,7,8-HEXACHLORODIBENZO-P-DIOXIN",057653-85-7,42540,"1,2,3,6,7,8-hexachlorodibenzo-p-dioxin",C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=CC(=C(C(=C3O2)Cl)Cl)Cl,InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-6-2-4(14)8(16)10(18)12(6)19-5/h1-2H,YCLUIPQDHHPDJJ-UHFFFAOYSA-N,C12H2Cl6O2,390.9,389.815645,7.4,18.5,338,0,0,2,0,20,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,3,7,8,9-HEXACHLORODIBENZO--DIOXIN",019408-74-3,29575,"1,2,3,7,8,9-hexachlorodibenzo-p-dioxin",C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl,InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-12-6(19-5)2-4(14)8(16)10(12)18/h1-2H,LGIRBUBHIWTVCK-UHFFFAOYSA-N,C12H2Cl6O2,390.9,389.815645,7.4,18.5,340,0,0,2,0,20,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DIBENZO-P-DIOXIN,000262-12-4,9216,dibenzo-p-dioxin,C1=CC=C2C(=C1)OC3=CC=CC=C3O2,InChI=1S/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H,NFBOHOGPQUYFRF-UHFFFAOYSA-N,C12H8O2,184.19,184.0524295,4.4,18.5,162,0,0,2,0,14,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Dibenzo-p-dioxin, 1,2,3,4-tetrachloro-",30746-58-8,35454,"1,2,3,4-tetrachlorodibenzo-p-dioxin",C1=CC=C2C(=C1)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl,InChI=1S/C12H4Cl4O2/c13-7-8(14)10(16)12-11(9(7)15)17-5-3-1-2-4-6(5)18-12/h1-4H,DJHHDLMTUOLVHY-UHFFFAOYSA-N,C12H4Cl4O2,322,321.89359,7.2,18.5,286,0,0,2,0,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Dibenzo-p-dioxin, 1,2,7,8-tetrachloro-",34816-53-0,36934,"1,2,7,8-tetrachlorodibenzo-p-dioxin",C1=CC(=C(C2=C1OC3=CC(=C(C=C3O2)Cl)Cl)Cl)Cl,InChI=1S/C12H4Cl4O2/c13-5-1-2-8-12(11(5)16)18-10-4-7(15)6(14)3-9(10)17-8/h1-4H,YDZCLBKUTXYYKS-UHFFFAOYSA-N,C12H4Cl4O2,322,321.89359,6,18.5,316,0,0,2,0,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Dibenzo-p-dioxin, 2,4,8-trichloro-",,48888,"1,3,7-trichlorodibenzo-p-dioxin",C1=CC2=C(C=C1Cl)OC3=C(O2)C(=CC(=C3)Cl)Cl,InChI=1S/C12H5Cl3O2/c13-6-1-2-9-10(4-6)16-11-5-7(14)3-8(15)12(11)17-9/h1-5H,RPKWIXFZKMDPMH-UHFFFAOYSA-N,C12H5Cl3O2,287.5,285.935512,5.7,18.5,289,0,0,2,0,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRACHLORODIBENZODIOXIN,001746-01-6,15625,"2,3,7,8-tetrachlorodibenzo-p-dioxin",C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl,InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H,HGUFODBRKLSHSI-UHFFFAOYSA-N,C12H4Cl4O2,322,321.89359,6.4,18.5,258,0,0,2,0,18,4 °C (39 °F) - closed cup,"Decomposes at 932 °F (NTP, 1992)",1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,3,7,8-TETRACHLORODIBENZO-PARA-DIOXIN-13(C12)",076523-40-5,156712,"2,3,7,8-tetrachlorodibenzo-p-dioxin",[13CH]1=[13C]2[13C](=[13CH][13C](=[13C]1Cl)Cl)O[13C]3=[13CH][13C](=[13C]([13CH]=[13C]3O2)Cl)Cl,"InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1",HGUFODBRKLSHSI-WCGVKTIYSA-N,C12H4Cl4O2,333.9,333.933848,6.4,18.5,258,0,0,2,0,18,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Dibenzo(b,e)(1,4)dioxin, 1,2,3,7,8-pentabromo-",109333-34-8,60312,"1,2,3,7,8-pentabromodibenzo-p-dioxin",C1=C2C(=CC(=C1Br)Br)OC3=C(C(=C(C=C3O2)Br)Br)Br,InChI=1S/C12H3Br5O2/c13-4-1-7-8(2-5(4)14)19-12-9(18-7)3-6(15)10(16)11(12)17/h1-3H,ZIFMQFDZODRVTG-UHFFFAOYSA-N,C12H3Br5O2,578.7,577.60089,6.5,18.5,344,0,0,2,0,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
FENTANYL (DURAGESIC),000437-38-7,3345,N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide,CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3",PJMPHNIQZUBGLI-UHFFFAOYSA-N,C22H28N2O,336.5,336.2201635,4,23.6,391,0,0,2,6,25,,,0,1,1,1,0,0,1,0,0,0,0,0,0,1,1,0,0,1,0,0
CARFENTANIL (WILDNIL),059708-52-0,62156,methyl 1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate,CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CC=C3)C(=O)OC,"InChI=1S/C24H30N2O3/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29-2)15-18-25(19-16-24)17-14-20-10-6-4-7-11-20/h4-13H,3,14-19H2,1-2H3",YDSDEBIZUNNPOB-UHFFFAOYSA-N,C24H30N2O3,394.5,394.2256428,3.8,49.9,530,0,0,4,8,29,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-ANILINO-N-PHENETHYLPIPERIDINE,021409-26-7,88890,N-phenyl-1-(2-phenylethyl)piperidin-4-amine,C1CN(CCC1NC2=CC=CC=C2)CCC3=CC=CC=C3,"InChI=1S/C19H24N2/c1-3-7-17(8-4-1)11-14-21-15-12-19(13-16-21)20-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2",ZCMDXDQUYIWEKB-UHFFFAOYSA-N,C19H24N2,280.4,280.1939488,4.5,15.3,271,0,1,2,5,21,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BUTYRYL FENTANYL,001169-70-6,621174,N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide,CCCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C23H30N2O/c1-2-9-23(26)25(21-12-7-4-8-13-21)22-15-18-24(19-16-22)17-14-20-10-5-3-6-11-20/h3-8,10-13,22H,2,9,14-19H2,1H3",QQOMYEQLWQJRKK-UHFFFAOYSA-N,C23H30N2O,350.5,350.2358136,4.4,23.6,404,0,0,2,7,26,,,0,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,1,0,1
4-FLUOROISOBUTYRYL FENTANYL,244195-32-2,100974914,N-(4-fluorophenyl)-2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide,CC(C)C(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=C(C=C3)F,"InChI=1S/C23H29FN2O/c1-18(2)23(27)26(21-10-8-20(24)9-11-21)22-13-16-25(17-14-22)15-12-19-6-4-3-5-7-19/h3-11,18,22H,12-17H2,1-2H3",OZDOSQNUJIXEOR-UHFFFAOYSA-N,C23H29FN2O,368.5,368.2263917,4.7,23.6,447,0,0,3,6,27,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ISOBUTYRYL FENTANYL HYDROCHLORIDE,117332-90-8,53299317,2-methyl-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;hydrochloride,CC(C)C(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3.Cl,"InChI=1S/C23H30N2O.ClH/c1-19(2)23(26)25(21-11-7-4-8-12-21)22-14-17-24(18-15-22)16-13-20-9-5-3-6-10-20;/h3-12,19,22H,13-18H2,1-2H3;1H",RAMJZGOMHMJBHA-UHFFFAOYSA-N,C23H31ClN2O,387,386.2124913,,23.6,416,0,1,2,6,27,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
N-(2-FLUOROPHENYL)-2-METHOXY-N-(1-(2-PHENYLETHYL)-4-PIPERIDINYL)ACETAMIDE,101343-69-5,60575,N-(2-fluorophenyl)-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide,COCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3F,"InChI=1S/C22H27FN2O2/c1-27-17-22(26)25(21-10-6-5-9-20(21)23)19-12-15-24(16-13-19)14-11-18-7-3-2-4-8-18/h2-10,19H,11-17H2,1H3",NYISTOZKVCMVEL-UHFFFAOYSA-N,C22H27FN2O2,370.5,370.2056563,3.6,32.8,448,0,0,4,7,27,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ACETYL FENTANYL,003258-84-2,527015,N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide,CC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C21H26N2O/c1-18(24)23(20-10-6-3-7-11-20)21-13-16-22(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,21H,12-17H2,1H3",FYIUUQUPOKIKNI-UHFFFAOYSA-N,C21H26N2O,322.4,322.2045135,3.6,23.6,377,0,0,2,5,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-FLUOROISOBUTYRYL FENTANYL HYDROCHLORIDE,2309383-06-8,137699865,N-(4-fluorophenyl)-2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;hydrochloride,CC(C)C(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=C(C=C3)F.Cl,"InChI=1S/C23H29FN2O.ClH/c1-18(2)23(27)26(21-10-8-20(24)9-11-21)22-13-16-25(17-14-22)15-12-19-6-4-3-5-7-19;/h3-11,18,22H,12-17H2,1-2H3;1H",CPKORZNZDMLSFS-UHFFFAOYSA-N,C23H30ClFN2O,404.9,404.2030694,,23.6,447,0,1,3,6,28,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
(E)-N-(1-PHENETHYLPIPERIDIN-4-YL)-N-PHENYLBUT-2-ENAMIDE,760930-59-4,10472960,(E)-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]but-2-enamide,C/C=C/C(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C23H28N2O/c1-2-9-23(26)25(21-12-7-4-8-13-21)22-15-18-24(19-16-22)17-14-20-10-5-3-6-11-20/h2-13,22H,14-19H2,1H3/b9-2+",VDYXGPCGBKLRDA-XNWCZRBMSA-N,C23H28N2O,348.5,348.2201635,4.4,23.6,441,0,0,2,6,26,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PARA-FLUOROFENTANYL (CHINA WHITE, FENTANYL)",090736-23-5,62300,N-(4-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide,CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=C(C=C3)F,"InChI=1S/C22H27FN2O/c1-2-22(26)25(20-10-8-19(23)9-11-20)21-13-16-24(17-14-21)15-12-18-6-4-3-5-7-18/h3-11,21H,2,12-17H2,1H3",KXUBAVLIJFTASZ-UHFFFAOYSA-N,C22H27FN2O,354.5,354.2107417,4.2,23.6,422,0,0,3,6,26,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ORTHO-FLUOROFENTANYL HYDROCHLORIDE,,137699872,N-(2-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;hydrochloride,CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3F.Cl,"InChI=1S/C22H27FN2O.ClH/c1-2-22(26)25(21-11-7-6-10-20(21)23)19-13-16-24(17-14-19)15-12-18-8-4-3-5-9-18;/h3-11,19H,2,12-17H2,1H3;1H",WNGQPVDEOLWILW-UHFFFAOYSA-N,C22H28ClFN2O,390.9,390.1874194,,23.6,430,0,1,3,6,27,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)phenothiazin-10-yl)propyl)-",000069-23-8,3372,2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol,C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO,"InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2",PLDUPXSUYLZYBN-UHFFFAOYSA-N,C22H26F3N3OS,437.5,437.1748681,4.4,55.3,544,0,1,8,6,30,,268-274 °C at 5.00E-01 mm Hg,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Piperazineethanol, 4-(3-(2-chlorophenothiazin-10-yl)propyl)-",000058-39-9,4748,2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol,C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO,"InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2",RGCVKNLCSQQDEP-UHFFFAOYSA-N,C21H26ClN3OS,404,403.1485113,4.2,55.3,463,0,1,5,6,27,,278-281 °C at 1.00E+00 mm Hg,0,0,1,1,0,0,0,1,0,0,0,0,0,1,0,0,0,1,0,0
TRIFLUOPERAZINE DIHYDROCHLORIDE,000440-17-5,66064,10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;dihydrochloride,CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.Cl.Cl,"InChI=1S/C21H24F3N3S.2ClH/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24;;/h2-3,5-8,15H,4,9-14H2,1H3;2*1H",BXDAOUXDMHXPDI-UHFFFAOYSA-N,C21H26Cl2F3N3S,480.4,479.1176589,,35,510,0,2,7,4,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenothiazine, 2-chloro-10-(3-(4-methyl-1-piperazinyl)propyl)-",000058-38-8,4917,2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine,CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl,"InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3",WIKYUJGCLQQFNW-UHFFFAOYSA-N,C20H24ClN3S,373.9,373.1379466,4.9,35,429,0,0,4,4,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1
"Phenothiazine, 2-chloro-10-(3-(1-methyl-4-piperazinyl)propyl)-, ethanedisulfon",001257-78-9,91499,"2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;ethane-1,2-disulfonic acid",CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(CS(=O)(=O)O)S(=O)(=O)O,"InChI=1S/C20H24ClN3S.C2H6O6S2/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24;3-9(4,5)1-2-10(6,7)8/h2-3,5-8,15H,4,9-14H2,1H3;1-2H2,(H,3,4,5)(H,6,7,8)",SWOUGRBFXFILIB-UHFFFAOYSA-N,C22H30ClN3O6S3,564.1,563.0985269,,161,668,0,2,10,7,35,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenothiazine, 10-(3-(4-methyl-1-piperazinyl)propyl)-",84-97-9,4744,10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine,CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42,"InChI=1S/C20H25N3S/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3",WEYVCQFUGFRXOM-UHFFFAOYSA-N,C20H25N3S,339.5,339.176919,4.1,35,374,0,0,4,4,24,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ketone, 10-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)phenothiazin-2-yl methyl, dimaleate",5714-00-1,5281082,bis((Z)-but-2-enedioic acid);1-[10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazin-2-yl]ethanone,CC(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN4CCN(CC4)CCO)C=C1.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C23H29N3O2S.2C4H4O4/c1-18(28)19-7-8-23-21(17-19)26(20-5-2-3-6-22(20)29-23)10-4-9-24-11-13-25(14-12-24)15-16-27;2*5-3(6)1-2-4(7)8/h2-3,5-8,17,27H,4,9-16H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-",NUKVZKPNSKJGBK-SPIKMXEPSA-N,C31H37N3O10S,643.7,643.2199656,,222,659,0,5,14,11,45,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phenothiazine, 10-(3-(4-methyl-1-piperazinyl)propyl)-, maleate",6002-77-3,5282417,bis((Z)-but-2-enedioic acid);10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine,CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C20H25N3S.2C4H4O4/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23;2*5-3(6)1-2-4(7)8/h2-5,7-10H,6,11-16H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-",PQDKNYWKLCFCJU-SPIKMXEPSA-N,C28H33N3O8S,571.6,571.1988362,,184,493,0,4,12,8,40,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)phenothiazin-10-yl)propyl)-, dih",000146-56-5,67356,2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol;dihydrochloride,C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO.Cl.Cl,"InChI=1S/C22H26F3N3OS.2ClH/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29;;/h1-2,4-7,16,29H,3,8-15H2;2*1H",MBHNWCYEGXQEIT-UHFFFAOYSA-N,C22H28Cl2F3N3OS,510.4,509.1282236,,55.3,544,0,3,8,6,32,,,0,0,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,1,1,1
"Heptanoic acid, 2-(4-(3-(2-(trifluoromethyl)phenothiazin-10-yl)propyl)-1-piperazinyl)ethyl ester",2746-81-8,3389,2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl heptanoate,CCCCCCC(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F,"InChI=1S/C29H38F3N3O2S/c1-2-3-4-5-11-28(36)37-21-20-34-18-16-33(17-19-34)14-8-15-35-24-9-6-7-10-26(24)38-27-13-12-23(22-25(27)35)29(30,31)32/h6-7,9-10,12-13,22H,2-5,8,11,14-21H2,1H3",LRWSFOSWNAQHHW-UHFFFAOYSA-N,C29H38F3N3O2S,549.7,549.2636831,7.4,61.3,720,0,0,9,13,38,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
2-CHLOROPYRIDIN-4-OL,017368-12-6,87010,2-chloro-1H-pyridin-4-one,C1=CNC(=CC1=O)Cl,"InChI=1S/C5H4ClNO/c6-5-3-4(8)1-2-7-5/h1-3H,(H,7,8)",VBEHFOMFHUQAOW-UHFFFAOYSA-N,C5H4ClNO,129.54,128.9981414,1,29.1,171,0,1,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4(1H)-PYRIDINONE, 3,5-DIIODO-",005579-93-1,21752,"3,5-diiodo-1H-pyridin-4-one",C1=C(C(=O)C(=CN1)I)I,"InChI=1S/C5H3I2NO/c6-3-1-8-2-4(7)5(3)9/h1-2H,(H,8,9)",FRPFEVLOFNAKBS-UHFFFAOYSA-N,C5H3I2NO,346.89,346.83041,1.5,29.1,187,0,1,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-DIHYDRO-4-OXOPYRIDINE-2,6-DICARBOXYLIC ACID",000138-60-3,8743,"4-oxo-1H-pyridine-2,6-dicarboxylic acid",C1=C(NC(=CC1=O)C(=O)O)C(=O)O,"InChI=1S/C7H5NO5/c9-3-1-4(6(10)11)8-5(2-3)7(12)13/h1-2H,(H,8,9)(H,10,11)(H,12,13)",XTLJJHGQACAZMS-UHFFFAOYSA-N,C7H5NO5,183.12,183.0167723,-0.4,104,320,0,3,6,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Pyridinol, 1-oxide",6890-62-6,23321,1-hydroxypyridin-4-one,C1=CN(C=CC1=O)O,"InChI=1S/C5H5NO2/c7-5-1-3-6(8)4-2-5/h1-4,8H",NCDOCXYTOYFYHI-UHFFFAOYSA-N,C5H5NO2,111.1,111.0320284,-1.7,40.5,144,0,1,3,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-Pyridinediol",10182-48-6,105085,3-hydroxy-1H-pyridin-4-one,C1=CNC=C(C1=O)O,"InChI=1S/C5H5NO2/c7-4-1-2-6-3-5(4)8/h1-3,8H,(H,6,7)",ZCUUVWCJGRQCMZ-UHFFFAOYSA-N,C5H5NO2,111.1,111.0320284,0,49.3,169,0,2,3,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Pyridinol, 3,5-dibromo-",25813-25-6,99252,"3,5-dibromo-1H-pyridin-4-one",C1=C(C(=O)C(=CN1)Br)Br,"InChI=1S/C5H3Br2NO/c6-3-1-8-2-4(7)5(3)9/h1-2H,(H,8,9)",MXBBVOSRBZCCOD-UHFFFAOYSA-N,C5H3Br2NO,252.89,252.85609,1.9,29.1,187,0,1,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4(1H)-Pyridinone, 1-ethyl-3-hydroxy-2-methyl-",30652-12-1,94413,1-ethyl-3-hydroxy-2-methylpyridin-4-one,CCN1C=CC(=O)C(=C1C)O,"InChI=1S/C8H11NO2/c1-3-9-5-4-7(10)8(11)6(9)2/h4-5,11H,3H2,1-2H3",LCWFIBYPSAWVLI-UHFFFAOYSA-N,C8H11NO2,153.18,153.0789786,0.9,40.5,240,0,1,3,1,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4(1H)-Pyridinone, 3-hydroxy-2-methyl-1-propyl-",30652-13-2,121732,3-hydroxy-2-methyl-1-propylpyridin-4-one,CCCN1C=CC(=O)C(=C1C)O,"InChI=1S/C9H13NO2/c1-3-5-10-6-4-8(11)9(12)7(10)2/h4,6,12H,3,5H2,1-2H3",BFUSTCYJXIZANF-UHFFFAOYSA-N,C9H13NO2,167.2,167.0946287,1.4,40.5,253,0,1,3,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-HYDROXYPYRIDINE,000626-64-2,12290,1H-pyridin-4-one,C1=CNC=CC1=O,"InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)",GCNTZFIIOFTKIY-UHFFFAOYSA-N,C5H5NO,95.1,95.03711378,-1.3,29.1,121,0,1,2,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MIMOSINE,000500-44-7,440473,(2S)-2-amino-3-(3-hydroxy-4-oxo-1-pyridinyl)propanoic acid,C1=CN(C=C(C1=O)O)C[C@@H](C(=O)O)N,"InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m0/s1",WZNJWVWKTVETCG-YFKPBYRVSA-N,C8H10N2O4,198.18,198.0640568,-3.5,104,321,0,3,6,3,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,6,9,11-Tridecatetraen-4-ol, 13-(4-hydroxy-5,6-dimethoxy-3-methyl-2-pyridyl)-3,5,7,11-tetramethyl-, (all-E)-(4S,5S)-",2738-64-9,6437838,"2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one",C/C=C(\C)/[C@@H]([C@H](C)/C=C(\C)/C=C/C/C(=C/CC1=C(C(=O)C(=C(N1)OC)OC)C)/C)O,"InChI=1S/C25H37NO4/c1-9-18(4)22(27)19(5)15-17(3)12-10-11-16(2)13-14-21-20(6)23(28)24(29-7)25(26-21)30-8/h9-10,12-13,15,19,22,27H,11,14H2,1-8H3,(H,26,28)/b12-10+,16-13+,17-15+,18-9+/t19-,22+/m1/s1",BBLGCDSLCDDALX-LKGBESRRSA-N,C25H37NO4,415.6,415.2722587,6.1,67.8,809,0,2,5,10,30,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4(1H)-Pyridinone, 1,2-dimethyl-3-hydroxy-",30652-11-0,2972,"3-hydroxy-1,2-dimethylpyridin-4-one",CC1=C(C(=O)C=CN1C)O,"InChI=1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3",TZXKOCQBRNJULO-UHFFFAOYSA-N,C7H9NO2,139.15,139.0633285,0.5,40.5,228,0,1,3,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4(1H)-Pyridinone, 1,2-diethyl-3-hydroxy-",115900-75-9,86322,"1,2-diethyl-3-hydroxypyridin-4-one",CCC1=C(C(=O)C=CN1CC)O,"InChI=1S/C9H13NO2/c1-3-7-9(12)8(11)5-6-10(7)4-2/h5-6,12H,3-4H2,1-2H3",XIYFEESCIBNMIC-UHFFFAOYSA-N,C9H13NO2,167.2,167.0946287,1.3,40.5,253,0,1,3,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4'-AMINOMETHYL-4,5',8-TRIMETHYLPSORALEN (HCL)",062442-61-9,148969,"3-(aminomethyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one;hydrochloride",CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)CN)C.Cl,"InChI=1S/C15H15NO3.ClH/c1-7-4-13(17)19-14-8(2)15-11(5-10(7)14)12(6-16)9(3)18-15;/h4-5H,6,16H2,1-3H3;1H",HAWQZPVGCLHOBD-UHFFFAOYSA-N,C15H16ClNO3,293.74,293.0818711,,65.5,420,0,2,4,1,20,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0
8-METHOXYPSORALEN,000298-81-7,4114,"9-methoxyfuro[3,2-g]chromen-7-one",COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2,"InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3",QXKHYNVANLEOEG-UHFFFAOYSA-N,C12H8O4,216.19,216.0422587,1.9,48.7,325,0,0,4,1,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
PSORALEN,000066-97-7,6199,"furo[3,2-g]chromen-7-one",C1=CC(=O)OC2=CC3=C(C=CO3)C=C21,InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H,ZCCUUQDIBDJBTK-UHFFFAOYSA-N,C11H6O3,186.16,186.031694,2.3,39.4,284,0,0,3,0,14,,362.00 to 363.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"7H-Furo(3,2-g)(1)benzopyran-7-one, 9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-",000482-25-7,10211,"9-[(2R)-2,3-dihydroxy-3-methylbutoxy]-4-methoxyfuro[3,2-g]chromen-7-one",CC(C)([C@@H](COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O,"InChI=1S/C17H18O7/c1-17(2,20)11(18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)24-15(9)16/h4-7,11,18,20H,8H2,1-3H3/t11-/m1/s1",PKRPFNXROFUNDE-LLVKDONJSA-N,C17H18O7,334.3,334.1052529,1.6,98.4,503,0,2,7,5,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-METHOXYPSORALEN,000484-20-8,2355,"4-methoxyfuro[3,2-g]chromen-7-one",COC1=C2C=CC(=O)OC2=CC3=C1C=CO3,"InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3",BGEBZHIAGXMEMV-UHFFFAOYSA-N,C12H8O4,216.19,216.0422587,2.3,48.7,325,0,0,4,1,16,,,0,0,0,0,0,1,0,0,0,0,1,0,0,0,1,0,0,1,0,0
"7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-",482-44-0,10212,"9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one",CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C,"InChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3",OLOOJGVNMBJLLR-UHFFFAOYSA-N,C16H14O4,270.28,270.0892089,3.4,48.7,436,0,0,4,3,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((3-methyl-2-butenyl)oxy)-",482-45-1,68081,"4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one",CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C,"InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3",IGWDEVSBEKYORK-UHFFFAOYSA-N,C16H14O4,270.28,270.0892089,3.8,48.7,436,0,0,4,3,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"7H-Furo(3,2-g)(1)benzopyran-7-one, 9-hydroxy-",2009-24-7,65090,"9-hydroxyfuro[3,2-g]chromen-7-one",C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)O,"InChI=1S/C11H6O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-5,13H",JWVYQQGERKEAHW-UHFFFAOYSA-N,C11H6O4,202.16,202.0266087,1.6,59.7,312,0,1,4,0,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"7H-Furo(3,2-g)(1)benzopyran-7-one, 4-methoxy-9-((3-methyl-2-butenyl)oxy)-",2543-94-4,98608,"4-methoxy-9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one",CC(=CCOC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)C,"InChI=1S/C17H16O5/c1-10(2)6-8-21-17-15-12(7-9-20-15)14(19-3)11-4-5-13(18)22-16(11)17/h4-7,9H,8H2,1-3H3",BMLZFLQMBMYVHG-UHFFFAOYSA-N,C17H16O5,300.3,300.0997736,3.8,57.9,479,0,0,5,4,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"7H-Furo(3,2-g)(1)benzopyran-7-one, 4-(2,3-dihydroxy-3-methylbutoxy)-, (R)-(+)-",2643-85-8,17536,"4-[(2R)-2,3-dihydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one",CC(C)([C@@H](COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O,"InChI=1S/C16H16O6/c1-16(2,19)13(17)8-21-15-9-3-4-14(18)22-12(9)7-11-10(15)5-6-20-11/h3-7,13,17,19H,8H2,1-2H3/t13-/m1/s1",PEWFWDOPJISUOK-CYBMUJFWSA-N,C16H16O6,304.29,304.0946882,1.6,89.1,460,0,2,6,4,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"7H-Furo(3,2-g)(1)benzopyran-7-one, 4-(((2E)-3,7-dimethyl-2,6-octadienyl)oxy)-",7380-40-7,5471349,"4-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one",CC(=CCC/C(=C/COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/C)C,"InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+",DBMJZOMNXBSRED-OQLLNIDSSA-N,C21H22O4,338.4,338.1518092,5.6,48.7,570,0,0,4,6,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"7H-Furo(3,2-g)(1)benzopyran-7-one, 3-((2-aminoethoxy)methyl)-2,5,9-trimethyl-, monohydrochloride",161262-45-9,159598,"3-(2-aminoethoxymethyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one;hydrochloride",CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)COCCN)C.Cl,"InChI=1S/C17H19NO4.ClH/c1-9-6-15(19)22-16-10(2)17-13(7-12(9)16)14(11(3)21-17)8-20-5-4-18;/h6-7H,4-5,8,18H2,1-3H3;1H",MHLAMQBABOJZQW-UHFFFAOYSA-N,C17H20ClNO4,337.8,337.1080858,,74.7,464,0,2,5,4,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE, 2,5,9-TRIMETHYL-",003902-71-4,5585,"2,5,9-trimethylfuro[3,2-g]chromen-7-one",CC1=CC(=O)OC2=C1C=C3C=C(OC3=C2C)C,"InChI=1S/C14H12O3/c1-7-4-12(15)17-14-9(3)13-10(6-11(7)14)5-8(2)16-13/h4-6H,1-3H3",FMHHVULEAZTJMA-UHFFFAOYSA-N,C14H12O3,228.24,228.0786442,3,39.4,374,0,0,3,0,17,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"3H-PYRAZOL-3-ONE, 2,4-DIHYDRO-5-METHYL-2-(4-METHYLPHENYL)-",000086-92-0,66591,5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one,CC1=NN(C(=O)C1)C2=CC=C(C=C2)C,"InChI=1S/C11H12N2O/c1-8-3-5-10(6-4-8)13-11(14)7-9(2)12-13/h3-6H,7H2,1-2H3",IOQOLGUXWSBWHR-UHFFFAOYSA-N,C11H12N2O,188.23,188.094963,1.6,32.7,264,0,0,2,1,14,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1H-PYRAZOLE-3-CARBOXYLIC ACID, 4,5-DIHYDRO-5-OXO-1-PHENYL-, ETHYL ESTER",000089-33-8,66636,ethyl 5-oxo-1-phenyl-4H-pyrazole-3-carboxylate,CCOC(=O)C1=NN(C(=O)C1)C2=CC=CC=C2,"InChI=1S/C12H12N2O3/c1-2-17-12(16)10-8-11(15)14(13-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",WBFXQKNQVZMOSQ-UHFFFAOYSA-N,C12H12N2O3,232.23,232.0847923,1.6,59,346,0,0,4,4,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE,000089-25-8,4021,5-methyl-2-phenyl-4H-pyrazol-3-one,CC1=NN(C(=O)C1)C2=CC=CC=C2,"InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3",QELUYTUMUWHWMC-UHFFFAOYSA-N,C10H10N2O,174.2,174.0793129,1.3,32.7,241,0,0,2,1,13,,"549 °F at 105 mmHg (NTP, 1992)",0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"BENZENESULFONIC ACID, 4-(4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL)-",000089-36-1,66638,4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid,CC1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)O,"InChI=1S/C10H10N2O4S/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16/h2-5H,6H2,1H3,(H,14,15,16)",CWJQQASJVVAXKL-UHFFFAOYSA-N,C10H10N2O4S,254.26,254.036128,0,95.4,443,0,1,5,2,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
PICROLONIC ACID,000550-74-3,68369,5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one,CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C10H8N4O5/c1-6-9(14(18)19)10(15)12(11-6)7-2-4-8(5-3-7)13(16)17/h2-5,9H,1H3",OVFUUSPKWADLNJ-UHFFFAOYSA-N,C10H8N4O5,264.19,264.0494694,1.2,124,444,0,0,6,1,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-PYRAZOL-3-ONE, 2-(2-CHLOROPHENYL)-2,4-DIHYDRO-5-METHYL-",014580-22-4,84534,2-(2-chlorophenyl)-5-methyl-4H-pyrazol-3-one,CC1=NN(C(=O)C1)C2=CC=CC=C2Cl,"InChI=1S/C10H9ClN2O/c1-7-6-10(14)13(12-7)9-5-3-2-4-8(9)11/h2-5H,6H2,1H3",CWESERWNUIUBJU-UHFFFAOYSA-N,C10H9ClN2O,208.64,208.0403406,1.9,32.7,277,0,0,2,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, 4-CHLORO-3-(4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL)-",000088-76-6,66625,4-chloro-3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid,CC1=NN(C(=O)C1)C2=C(C=CC(=C2)S(=O)(=O)O)Cl,"InChI=1S/C10H9ClN2O4S/c1-6-4-10(14)13(12-6)9-5-7(18(15,16)17)2-3-8(9)11/h2-3,5H,4H2,1H3,(H,15,16,17)",UWLNKHDLVZEYKQ-UHFFFAOYSA-N,C10H9ClN2O4S,288.71,287.9971556,0.6,95.4,485,0,1,5,2,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"3H-PYRAZOL-3-ONE, 2-(3-CHLOROPHENYL)-2,4-DIHYDRO-5-METHYL-",000090-31-3,66656,2-(3-chlorophenyl)-5-methyl-4H-pyrazol-3-one,CC1=NN(C(=O)C1)C2=CC(=CC=C2)Cl,"InChI=1S/C10H9ClN2O/c1-7-5-10(14)13(12-7)9-4-2-3-8(11)6-9/h2-4,6H,5H2,1H3",RIOMUJXIGYZENC-UHFFFAOYSA-N,C10H9ClN2O,208.64,208.0403406,1.9,32.7,277,0,0,2,1,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3H-PYRAZOL-3-ONE, 2,4-DIHYDRO-5-METHYL-2-(4-NITROPHENYL)-",006402-09-1,80816,5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one,CC1=NN(C(=O)C1)C2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C10H9N3O3/c1-7-6-10(14)12(11-7)8-2-4-9(5-3-8)13(15)16/h2-5H,6H2,1H3",MYPAMGFTHVEING-UHFFFAOYSA-N,C10H9N3O3,219.2,219.0643912,1.1,78.5,340,0,0,4,1,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENESULFONIC ACID, 2,5-DICHLORO-4-(4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-",000084-57-1,66536,"2,5-dichloro-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid",CC1=NN(C(=O)C1)C2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl,"InChI=1S/C10H8Cl2N2O4S/c1-5-2-10(15)14(13-5)8-3-7(12)9(4-6(8)11)19(16,17)18/h3-4H,2H2,1H3,(H,16,17,18)",KCEIVWKDBLAQKL-UHFFFAOYSA-N,C10H8Cl2N2O4S,323.15,321.9581833,1.3,95.4,516,0,1,5,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Fluoren-9-one, 2,7-bis(2-(diethylamino)ethoxy)-, dihydrochloride",027591-69-1,33958,"2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one;dihydrochloride",CCN(CC)CCOC1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)OCCN(CC)CC.Cl.Cl,"InChI=1S/C25H34N2O3.2ClH/c1-5-26(6-2)13-15-29-19-9-11-21-22-12-10-20(30-16-14-27(7-3)8-4)18-24(22)25(28)23(21)17-19;;/h9-12,17-18H,5-8,13-16H2,1-4H3;2*1H",BSVYJQAWONIOOU-UHFFFAOYSA-N,C25H36Cl2N2O3,483.5,482.2102984,,42,477,0,2,5,12,32,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
9-FLUORENONE-4-CARBONYL CHLORIDE,007071-83-2,610142,9-oxofluorene-4-carbonyl chloride,C1=CC=C2C(=C1)C3=C(C2=O)C=CC=C3C(=O)Cl,InChI=1S/C14H7ClO2/c15-14(17)11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)16/h1-7H,XKCGWCQMEUASJF-UHFFFAOYSA-N,C14H7ClO2,242.65,242.0134572,3.6,34.1,352,0,0,2,1,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
9-FLUORENONE,000486-25-9,10241,fluoren-9-one,C1=CC=C2C(=C1)C3=CC=CC=C3C2=O,InChI=1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H,YLQWCDOCJODRMT-UHFFFAOYSA-N,C13H8O,180.2,180.0575149,3.6,17.1,222,0,0,1,0,14,,341.5 °C @ 760 MM HG,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,7-DINITRO-9-FLUORENONE",031551-45-8,35842,"2,7-dinitrofluoren-9-one",C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=C2C=CC(=C3)[N+](=O)[O-],InChI=1S/C13H6N2O5/c16-13-11-5-7(14(17)18)1-3-9(11)10-4-2-8(15(19)20)6-12(10)13/h1-6H,HDVGAFBXTXDYIB-UHFFFAOYSA-N,C13H6N2O5,270.2,270.0276713,2.8,109,415,0,0,5,0,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
9-FLUORENONE-4-CARBOXYLIC ACID,006223-83-2,80361,9-oxofluorene-4-carboxylic acid,C1=CC=C2C(=C1)C3=C(C2=O)C=CC=C3C(=O)O,"InChI=1S/C14H8O3/c15-13-9-5-2-1-4-8(9)12-10(13)6-3-7-11(12)14(16)17/h1-7H,(H,16,17)",AFQYQSWTVCNJQT-UHFFFAOYSA-N,C14H8O3,224.21,224.0473441,2.6,54.4,349,0,1,3,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
9-FLUORENONE-2-CARBOXYLIC ACID,000784-50-9,69913,9-oxofluorene-2-carboxylic acid,C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)C(=O)O,"InChI=1S/C14H8O3/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)13/h1-7H,(H,16,17)",BJCTXUUKONLPPK-UHFFFAOYSA-N,C14H8O3,224.21,224.0473441,3.2,54.4,349,0,1,3,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,7-TRINITRO-9-FLUORENONE",000129-79-3,8521,"2,4,7-trinitrofluoren-9-one",C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=C2C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C13H5N3O7/c17-13-9-3-6(14(18)19)1-2-8(9)12-10(13)4-7(15(20)21)5-11(12)16(22)23/h1-5H,VHQGURIJMFPBKS-UHFFFAOYSA-N,C13H5N3O7,315.19,315.0127495,2.4,155,563,0,0,7,0,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Fluoren-9-one, 4-hydroxy-",1986-00-1,16139,4-hydroxyfluoren-9-one,C1=CC=C2C(=C1)C3=C(C2=O)C=CC=C3O,"InChI=1S/C13H8O2/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)15/h1-7,14H",OZLKIIAMQWXVKQ-UHFFFAOYSA-N,C13H8O2,196.2,196.0524295,2.7,37.3,274,0,1,2,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9H-Fluoren-9-one, 2-nitro-",3096-52-4,18356,2-nitrofluoren-9-one,C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-],InChI=1S/C13H7NO3/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)13/h1-7H,AJEAHBZZHSLIQP-UHFFFAOYSA-N,C13H7NO3,225.2,225.0425931,3.5,62.9,349,0,0,3,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Fluoren-9-one, 2-amino-",3096-57-9,18357,2-aminofluoren-9-one,C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)N,"InChI=1S/C13H9NO/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7H,14H2",SJODITPGMMSNRF-UHFFFAOYSA-N,C13H9NO,195.22,195.0684139,3,43.1,276,0,1,2,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9H-Fluorene-4-carboxylic acid, 7-nitro-9-oxo-",42523-38-6,97345,7-nitro-9-oxofluorene-4-carboxylic acid,C1=CC2=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=C1)C(=O)O,"InChI=1S/C14H7NO5/c16-13-9-2-1-3-10(14(17)18)12(9)8-5-4-7(15(19)20)6-11(8)13/h1-6H,(H,17,18)",QSYJYVBDMIMYCS-UHFFFAOYSA-N,C14H7NO5,269.21,269.0324223,2.3,100,457,0,1,5,1,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(9-OXO-2-FLUORENYL)ACETAMIDE,003096-50-2,18355,N-(9-oxofluoren-2-yl)acetamide,CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=O,"InChI=1S/C15H11NO2/c1-9(17)16-10-6-7-12-11-4-2-3-5-13(11)15(18)14(12)8-10/h2-8H,1H3,(H,16,17)",PYGNVSDRIIPHQP-UHFFFAOYSA-N,C15H11NO2,237.25,237.0789786,2.8,46.2,366,0,1,2,1,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIPHENYLSILANEDIOL,000947-42-2,13693,dihydroxy(diphenyl)silane,C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(O)O,"InChI=1S/C12H12O2Si/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H",OLLFKUHHDPMQFR-UHFFFAOYSA-N,C12H12O2Si,216.31,216.0606562,,40.5,174,0,2,2,2,15,,,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0
TERT-BUTYLCHLORODIPHENYLSILANE,058479-61-1,94078,tert-butyl-chloro-diphenylsilane,CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)Cl,"InChI=1S/C16H19ClSi/c1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3",MHYGQXWCZAYSLJ-UHFFFAOYSA-N,C16H19ClSi,274.86,274.0944548,,0,239,0,0,0,3,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"SILANE, CHLOROMETHYLDIPHENYL-",000144-79-6,67349,chloro-methyl-diphenylsilane,C[Si](C1=CC=CC=C1)(C2=CC=CC=C2)Cl,"InChI=1S/C13H13ClSi/c1-15(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3",OJZNZOXALZKPEA-UHFFFAOYSA-N,C13H13ClSi,232.78,232.0475046,,0,175,0,0,0,2,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DIPHENYLDICHLOROSILANE,000080-10-4,6627,dichloro(diphenyl)silane,C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(Cl)Cl,"InChI=1S/C12H10Cl2Si/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H",OSXYHAQZDCICNX-UHFFFAOYSA-N,C12H10Cl2Si,253.19,251.9928822,,0,174,0,0,0,2,15,"288 °F (USCG, 1999)","579 °F at 760 mmHg (USCG, 1999)",0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"SILANE, DIFLUORODIPHENYL-",000312-40-3,67557,difluoro(diphenyl)silane,C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(F)F,"InChI=1S/C12H10F2Si/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H",BOMPXIHODLVNMC-UHFFFAOYSA-N,C12H10F2Si,220.29,220.0519832,,0,174,0,0,2,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIETHOXYDIPHENYLSILANE,002553-19-7,75705,diethoxy(diphenyl)silane,CCO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC,"InChI=1S/C16H20O2Si/c1-3-17-19(18-4-2,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3",ZZNQQQWFKKTOSD-UHFFFAOYSA-N,C16H20O2Si,272.41,272.1232564,,18.5,219,0,0,2,6,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Silanol, diphenylmethyl-",000778-25-6,69900,hydroxy-methyl-diphenylsilane,C[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O,"InChI=1S/C13H14OSi/c1-15(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3",MLPRTGXXQKWLDM-UHFFFAOYSA-N,C13H14OSi,214.33,214.0813916,,20.2,175,0,1,1,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"SILANE, DIMETHOXYDIPHENYL-",006843-66-9,81284,dimethoxy(diphenyl)silane,CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC,"InChI=1S/C14H16O2Si/c1-15-17(16-2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3",AHUXYBVKTIBBJW-UHFFFAOYSA-N,C14H16O2Si,244.36,244.0919563,,18.5,196,0,0,2,4,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"SILANE, DIPHENYLDI-2-PROPENYL-",010519-88-7,82695,diphenyl-bis(prop-2-enyl)silane,C=CC[Si](CC=C)(C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C18H20Si/c1-3-15-19(16-4-2,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h3-14H,1-2,15-16H2",ZODWTWYKYYGSFS-UHFFFAOYSA-N,C18H20Si,264.4,264.1334272,,0,252,0,0,0,6,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SILANE, ETHENYLETHOXYDIPHENYL-",017933-85-6,87366,ethenyl-ethoxy-diphenylsilane,CCO[Si](C=C)(C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C16H18OSi/c1-3-17-18(4-2,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h4-14H,2-3H2,1H3",GGJQEMXRDJPGAH-UHFFFAOYSA-N,C16H18OSi,254.4,254.1126917,,9.2,234,0,0,1,5,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SILANE, METHYLDIPHENYL-",000776-76-1,69893,methyl(diphenyl)silane,C[SiH](C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C13H14Si/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3",FULSRCPEOUATID-UHFFFAOYSA-N,C13H14Si,198.33,198.086477,,0,137,0,0,0,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DIPHENYLIODONIUM HEXAFLUOROARSENATE,062613-15-4,2737135,diphenyliodanium;hexafluoroarsenic(1-),C1=CC=C(C=C1)[I+]C2=CC=CC=C2.F[As-](F)(F)(F)(F)F,"InChI=1S/C12H10I.AsF6/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3,4,5,6)7/h1-10H;/q+1;-1",KFGZTBBPOZNSHA-UHFFFAOYSA-N,C12H10AsF6I,470.02,469.89474,,0,179,0,0,7,2,20,,,1,1,1,1,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0,1
DIPHENYLIODONIUM CHLORIDE,001483-72-3,73870,diphenyliodanium chloride,C1=CC=C(C=C1)[I+]C2=CC=CC=C2.[Cl-],InChI=1S/C12H10I.ClH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-10H;1H/q+1;/p-1,RSJLWBUYLGJOBD-UHFFFAOYSA-M,C12H10ClI,316.56,315.95158,,0,116,0,0,1,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"IODONIUM, DIPHENYL-, BROMIDE",001483-73-4,73871,diphenyliodanium bromide,C1=CC=C(C=C1)[I+]C2=CC=CC=C2.[Br-],InChI=1S/C12H10I.BrH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-10H;1H/q+1;/p-1,LGPSGXJFQQZYMS-UHFFFAOYSA-M,C12H10BrI,361.02,359.90106,,0,116,0,0,1,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BIS(4-TERT-BUTYLPHENYL)IODONIUM FLUOROBORATE,062051-09-6,13668224,bis(4-tert-butylphenyl)iodanium tetrafluoroborate,[B-](F)(F)(F)F.CC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)C,"InChI=1S/C20H26I.BF4/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;2-1(3,4)5/h7-14H,1-6H3;/q+1;-1",PSKMZBCKONKVNP-UHFFFAOYSA-N,C20H26BF4I,480.1,480.11084,,0,291,0,0,5,4,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PHENYL-P-OCTYLOXYPENYL-IODONIUM HEXAFLUOROANTIMONATE,121239-75-6,21889414,hexafluoroantimony(1-);(4-octoxyphenyl)-phenyliodanium,CCCCCCCCOC1=CC=C(C=C1)[I+]C2=CC=CC=C2.F[Sb-](F)(F)(F)(F)F,"InChI=1S/C20H26IO.6FH.Sb/c1-2-3-4-5-6-10-17-22-20-15-13-19(14-16-20)21-18-11-8-7-9-12-18;;;;;;;/h7-9,11-16H,2-6,10,17H2,1H3;6*1H;/q+1;;;;;;;+5/p-6",QBOTYWKRKSTVOV-UHFFFAOYSA-H,C20H26F6IOSb,645.1,643.99707,,9.2,317,0,0,8,10,29,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"IODONIUM, (2-CARBOXYPHENYL)PHENYL-, INNER SALT",001488-42-2,73883,2-phenyliodoniobenzoate,C1=CC=C(C=C1)[I+]C2=CC=CC=C2C(=O)[O-],InChI=1S/C13H9IO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H,LUGVQQXOGHCZNN-UHFFFAOYSA-N,C13H9IO2,324.11,323.96473,4.5,40.1,231,0,0,2,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BIS(4-TERT-BUTYLPHENYL)IODONIUM TRIFLATE,084563-54-2,2734848,bis(4-tert-butylphenyl)iodanium;trifluoromethanesulfonate,CC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-],"InChI=1S/C20H26I.CHF3O3S/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;2-1(3,4)8(5,6)7/h7-14H,1-6H3;(H,5,6,7)/q+1;/p-1",VGZKCAUAQHHGDK-UHFFFAOYSA-M,C21H26F3IO3S,542.4,542.05995,,65.6,416,0,0,6,4,29,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
DIPHENYLIODONIUM TRIFLUOROMETHANESULFONATE,066003-76-7,2737137,diphenyliodanium;trifluoromethanesulfonate,C1=CC=C(C=C1)[I+]C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-],"InChI=1S/C12H10I.CHF3O3S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3,4)8(5,6)7/h1-10H;(H,5,6,7)/q+1;/p-1",SBQIJPBUMNWUKN-UHFFFAOYSA-M,C13H10F3IO3S,430.18,429.93475,,65.6,261,0,0,6,2,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIPHENYLIODONIUM HEXAFLUOROPHOSPHATE,058109-40-3,2737136,diphenyliodanium hexafluorophosphate,C1=CC=C(C=C1)[I+]C2=CC=CC=C2.F[P-](F)(F)(F)(F)F,"InChI=1S/C12H10I.F6P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(2,3,4,5)6/h1-10H;/q+1;-1",DSSRLRJACJENEU-UHFFFAOYSA-N,C12H10F6IP,426.08,425.9469,,0,179,0,0,7,2,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
BIS(4-TERT-BUTYLPHENYL)IODONIUM HEXAFLUOROPHOSPHATE,061358-25-6,13906852,bis(4-tert-butylphenyl)iodanium hexafluorophosphate,CC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)C.F[P-](F)(F)(F)(F)F,"InChI=1S/C20H26I.F6P/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-7(2,3,4,5)6/h7-14H,1-6H3;/q+1;-1",CJLLNCQWBHTSCB-UHFFFAOYSA-N,C20H26F6IP,538.3,538.0721,,0,334,0,0,7,4,28,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"Iodonium, diphenyl-, nitrate",722-56-5,12876,diphenyliodanium nitrate,C1=CC=C(C=C1)[I+]C2=CC=CC=C2.[N+](=O)([O-])[O-],InChI=1S/C12H10I.NO3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3)4/h1-10H;/q+1;-1,CQZCVYWWRJDZBO-UHFFFAOYSA-N,C12H10INO3,343.12,342.97054,,62.9,135,0,0,3,2,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-Secocholesta-5,7,10(19)-triene-1,3-diol, (1-alpha,3-beta,5Z,7E)-",041294-56-8,5282181,"trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol",C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C,"InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1",OFHCOWSQAMBJIW-AVJTYSNKSA-N,C27H44O2,400.6,400.3341306,6.8,40.5,643,0,2,2,6,29,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CHOLECALCIFEROL,000067-97-0,5280795,"(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol",C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C,"InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1",QYSXJUFSXHHAJI-YRZJJWOYSA-N,C27H44O,384.6,384.339216,7.9,20.2,610,0,1,1,6,28,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"(1S,3Z)-3-[(2E)-2-[(1R,3AS,7AR)-1-[(1R)-1,5-DIMETHYLHEXYL]OCTAHYDRO-7A-METHYL-4H-INDEN-4-YLIDENE]ETHYLIDENE-1D]-4-(METHYLENE-D2) CYCLOHEXANOL",080666-48-4,117064495,"(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol",[2H]C(=C\1CC[C@@H](C/C1=C(\[2H])/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C)O)[2H],"InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1/i3D2,13D",QYSXJUFSXHHAJI-GLSUUORTSA-N,C27H44O,387.7,387.3580463,7.9,20.2,610,0,1,1,6,28,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"9,10-Secocholesta-5,7,10(19)-triene-3,25-diol, (3-beta,5Z,7E)-",19356-17-3,5283731,"(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol",C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C,"InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1",JWUBBDSIWDLEOM-DTOXIADCSA-N,C27H44O2,400.6,400.3341306,6.2,40.5,655,0,2,2,6,29,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"9,10-Secoergosta-5,7,10(19),22-tetraene-1,3-diol, (1-alpha,3-beta,5Z,7E,22E)-",54573-75-0,5281107,"trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol",C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C,"InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1",HKXBNHCUPKIYDM-CGMHZMFXSA-N,C28H44O2,412.6,412.3341306,6.3,40.5,712,0,2,2,5,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-Secocholesta-5,7,10(19)-triene-3,24,25-triol, (3-beta,5Z,7E,24R)-",55721-11-4,5283748,"(3R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol",C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C,"InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22+,23-,24+,25-,27-/m1/s1",FCKJYANJHNLEEP-XRWYNYHCSA-N,C27H44O3,416.6,416.3290453,5,60.7,688,0,3,3,6,30,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"9,10-Secocholesta-5,7,10(19)-triene-1,3,24-triol, (1-alpha,3-beta,5Z,7E,24R)-",57333-96-7,5283734,"trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol",C[C@H](CC[C@H](C(C)C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C,"InChI=1S/C27H44O3/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3/b20-9+,21-10-/t18-,22-,23-,24+,25-,26+,27-/m1/s1",BJYLYJCXYAMOFT-RSFVBTMBSA-N,C27H44O3,416.6,416.3290453,5.3,60.7,676,0,3,3,6,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-Secocholesta-5,7,10(19)-triene-1,3-diol, (1-alpha,3-beta,5E,7E)-",65445-14-9,5283718,"trans-(1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol",C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)C,"InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12+/t19-,23-,24-,25+,26+,27-/m1/s1",OFHCOWSQAMBJIW-AOSUDXALSA-N,C27H44O2,400.6,400.3341306,6.8,40.5,643,0,2,2,6,29,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"1,3-Cyclohexanediol, 5-((2E)-((1R,3aS,7aR)-1-((1R,2E,4E)-6-ethyl-6-hydroxy-1-methyl-2,4-octadienyl)octahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-, (1R,3S,5Z)-",134404-52-7,5288149,"trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol",CCC(CC)(/C=C/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O,"InChI=1S/C30H46O3/c1-6-30(33,7-2)18-9-8-11-21(3)26-15-16-27-23(12-10-17-29(26,27)5)13-14-24-19-25(31)20-28(32)22(24)4/h8-9,11,13-14,18,21,25-28,31-33H,4,6-7,10,12,15-17,19-20H2,1-3,5H3/b11-8+,18-9+,23-13+,24-14-/t21-,25-,26-,27+,28+,29-/m1/s1",LVLLALCJVJNGQQ-SEODYNFXSA-N,C30H46O3,454.7,454.3446953,5.8,60.7,812,0,3,3,7,33,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Cyclohexanediol, 4-methylene-5-(2-(octahydro-1-(1-(3-hydroxy-3-methylbutox",103909-75-7,6398761,"trans-(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol",C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)OCCC(C)(C)O,"InChI=1S/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,26+/m0/s1",DTXXSJZBSTYZKE-ZDQKKZTESA-N,C26H42O4,418.6,418.3083098,3.5,69.9,691,0,3,4,6,30,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ERGOCALCIFEROL,000050-14-6,5280793,"(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol",C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C,"InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1",MECHNRXZTMCUDQ-RKHKHRCZSA-N,C28H44O,396.6,396.339216,7.4,20.2,678,0,1,1,5,29,,Decomposes,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"CARBAMIC ACID, [(DIBUTYLAMINO)-THIO]METHYL-2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURAN",055285-14-8,41384,"(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate",CCCCN(CCCC)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C,"InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3",JLQUFIHWVLZVTJ-UHFFFAOYSA-N,C20H32N2O3S,380.5,380.2133641,5.7,67.3,439,0,0,5,10,26,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"7-BENZOFURANAMINE, 2,3-DIHYDRO-2,2-DIMETHYL-",068298-46-4,91697,"2,2-dimethyl-3H-1-benzofuran-7-amine",CC1(CC2=C(O1)C(=CC=C2)N)C,"InChI=1S/C10H13NO/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5H,6,11H2,1-2H3",LMTIGABGABPAGU-UHFFFAOYSA-N,C10H13NO,163.22,163.099714,1.8,35.3,179,0,1,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbamic acid, methyl-, 2,3-dihydro-2-methyl-7-benzofuranyl ester",1563-67-3,15279,"(2-methyl-2,3-dihydro-1-benzofuran-7-yl) N-methylcarbamate",CC1CC2=C(O1)C(=CC=C2)OC(=O)NC,"InChI=1S/C11H13NO3/c1-7-6-8-4-3-5-9(10(8)14-7)15-11(13)12-2/h3-5,7H,6H2,1-2H3,(H,12,13)",JTBBRGSSVACAJM-UHFFFAOYSA-N,C11H13NO3,207.23,207.0895433,2.1,47.6,244,0,1,3,2,15,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzofuran, 2,3-dihydro-2-methyl-",1746-11-8,101130,"2-methyl-2,3-dihydro-1-benzofuran",CC1CC2=CC=CC=C2O1,"InChI=1S/C9H10O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7H,6H2,1H3",BWCJVGMZEQDOMY-UHFFFAOYSA-N,C9H10O,134.17,134.0731649,2.4,9.2,122,0,0,1,0,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Carbamic acid, methyl-, 2,3-dihydro-2,2-dimethyl-3-hydroxy-7-benzofuranyl ester",16655-82-6,27975,"(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate",CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C,"InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)",RHSUJRQZTQNSLL-UHFFFAOYSA-N,C12H15NO4,237.25,237.100108,1.2,67.8,305,0,2,4,2,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-Benzofuranol, 2-ethoxy-2,3-dihydro-3,3-dimethyl-, methanesulfonate, (+-)-",26225-79-6,33360,"(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate",CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C,"InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3",IRCMYGHHKLLGHV-UHFFFAOYSA-N,C13H18O5S,286.35,286.0874948,2.7,70.2,411,0,0,5,4,19,Non-combustibile,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"7-Benzofurancarboxylic acid, 2,3-dihydro-2-methyl-",31457-03-1,98308,"2-methyl-2,3-dihydro-1-benzofuran-7-carboxylic acid",CC1CC2=C(O1)C(=CC=C2)C(=O)O,"InChI=1S/C10H10O3/c1-6-5-7-3-2-4-8(10(11)12)9(7)13-6/h2-4,6H,5H2,1H3,(H,11,12)",HWCCVMGTQFWJSS-UHFFFAOYSA-N,C10H10O3,178.18,178.0629942,1.9,46.5,214,0,1,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanone, 1-(2,3-dihydro-2-methyl-5-benzofuranyl)-",58621-51-5,42799,"1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone",CC1CC2=C(O1)C=CC(=C2)C(=O)C,"InChI=1S/C11H12O2/c1-7-5-10-6-9(8(2)12)3-4-11(10)13-7/h3-4,6-7H,5H2,1-2H3",MORJCRDAGOARLY-UHFFFAOYSA-N,C11H12O2,176.21,176.0837296,2,26.3,212,0,0,2,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CARBOFURAN,001563-66-2,2566,"(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate",CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C,"InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)",DUEPRVBVGDRKAG-UHFFFAOYSA-N,C12H15NO3,221.25,221.1051933,2.3,47.6,277,0,1,3,2,16,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"beta-Alanine, N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)meth",082560-54-1,54886,"ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate",CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C,"InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3",FYZBOYWSHKHDMT-UHFFFAOYSA-N,C20H30N2O5S,410.5,410.1875432,4.2,93.6,543,0,0,7,10,28,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANOL",001563-38-8,15278,"2,2-dimethyl-3H-1-benzofuran-7-ol",CC1(CC2=C(O1)C(=CC=C2)O)C,"InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3",WJGPNUBJBMCRQH-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,2.1,29.5,177,0,1,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-DIMETHYLAMINOANTIPYRINE,000058-15-1,6009,"4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one",CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C,"InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3",RMMXTBMQSGEXHJ-UHFFFAOYSA-N,C13H17N3O,231.29,231.1371622,1,26.8,343,0,0,3,2,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ANTIPYRINE,000060-80-0,2206,"1,5-dimethyl-2-phenylpyrazol-3-one",CC1=CC(=O)N(N1C)C2=CC=CC=C2,"InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3",VEQOALNAAJBPNY-UHFFFAOYSA-N,C11H12N2O,188.23,188.094963,0.4,23.6,266,0,0,2,1,14,,319 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
4-AMINOANTIPYRINE,000083-07-8,2151,"4-amino-1,5-dimethyl-2-phenylpyrazol-3-one",CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N,"InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3",RLFWWDJHLFCNIJ-UHFFFAOYSA-N,C11H13N3O,203.24,203.105862,0.1,49.6,305,0,1,3,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DICHLORALPHENAZONE (DICHLORALANTIPYRINE),000480-30-8,10188,"1,5-dimethyl-2-phenylpyrazol-3-one;bis(2,2,2-trichloroethane-1,1-diol)",CC1=CC(=O)N(N1C)C2=CC=CC=C2.C(C(Cl)(Cl)Cl)(O)O.C(C(Cl)(Cl)Cl)(O)O,"InChI=1S/C11H12N2O.2C2H3Cl3O2/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;2*3-2(4,5)1(6)7/h3-8H,1-2H3;2*1,6-7H",ATKXDQOHNICLQW-UHFFFAOYSA-N,C15H18Cl6N2O5,519,517.931738,,104,323,0,4,6,1,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3H-PYRAZOL-3-ONE, 4-AMINO-1,2-DIHYDRO-1,5-DIMETHYL-2-PHENYL-, PHOSPHATE (1:1)",068258-97-9,71431716,"4-amino-1,5-dimethyl-2-phenylpyrazol-3-one;phosphoric acid",CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N.OP(=O)(O)O,"InChI=1S/C11H13N3O.H3O4P/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9;1-5(2,3)4/h3-7H,12H2,1-2H3;(H3,1,2,3,4)",CUDGKHKIJQRRAJ-UHFFFAOYSA-N,C11H16N3O5P,301.24,301.0827576,,127,355,0,4,7,1,20,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Antipyrine, 4-nitroso-",885-11-0,13443,"1,5-dimethyl-4-nitroso-2-phenylpyrazol-3-one",CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=O,"InChI=1S/C11H11N3O2/c1-8-10(12-16)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3",IEODZSWSXNQPQL-UHFFFAOYSA-N,C11H11N3O2,217.22,217.0851266,0.2,53,345,0,0,4,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-(methylnitrosoamino)-2-phenyl-",73829-38-6,126438,"N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methylnitrous amide",CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)N=O,"InChI=1S/C12H14N4O2/c1-9-11(14(2)13-18)12(17)16(15(9)3)10-7-5-4-6-8-10/h4-8H,1-3H3",PJVMURIFUSQEOU-UHFFFAOYSA-N,C12H14N4O2,246.27,246.1116757,0.7,56.2,388,0,0,5,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-Pyrazol-3-one, 1,2-dihydro-4-iodo-1,5-dimethyl-2-phenyl-",129-81-7,8522,"4-iodo-1,5-dimethyl-2-phenylpyrazol-3-one",CC1=C(C(=O)N(N1C)C2=CC=CC=C2)I,"InChI=1S/C11H11IN2O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3",ZZOBLCHCPLOXCE-UHFFFAOYSA-N,C11H11IN2O,314.12,313.99161,1.3,23.6,308,0,0,2,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Methanesulfonic acid, (antipyrinylmethylamino)-, sodium salt, monohydrate",5907-38-0,23674183,"sodium;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate;hydrate",CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].O.[Na+],"InChI=1S/C13H17N3O4S.Na.H2O/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;;/h4-8H,9H2,1-3H3,(H,18,19,20);;1H2/q;+1;/p-1",UNZIDPIPYUMVPA-UHFFFAOYSA-M,C13H18N3NaO5S,351.36,351.0864861,,93.4,552,0,1,7,4,23,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"29H,31H-PHTHALOCYANINE, DILITHIUM SALT",025510-41-2,168378,"dilithium;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene",[Li+].[Li+].C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94,InChI=1S/C32H16N8.2Li/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;;/h1-16H;;/q-2;2*+1,HQQKMOJOCZFMSV-UHFFFAOYSA-N,C32H16Li2N8,526.5,526.1817994,,79.3,709,0,0,8,0,42,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"CUPRATE(2-), [29H,31H-PHTHALOCYANINE-C,C-DISULFONATO(4-)-N29,N30,N31,N32]-, BA",067340-41-4,171827,"copper;barium(2+);2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13,15,17,19,21(38),22(27),23,25,28,30,32,34-nonadecaene-5,23-disulfonate",C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=C(C(=CC=C8)S(=O)(=O)[O-])C(=N7)N=C2[N-]3)C9=C4C=CC=C9S(=O)(=O)[O-].[Cu+2].[Ba+2],"InChI=1S/C32H16N8O6S2.Ba.Cu/c41-47(42,43)21-13-5-11-19-23(21)32-38-28-18-10-4-2-8-16(18)26(34-28)36-30-20-12-6-14-22(48(44,45)46)24(20)31(40-30)37-27-17-9-3-1-7-15(17)25(33-27)35-29(19)39-32;;/h1-14H,(H2-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46);;/q-2;2*+2/p-2",NGHBMKUPGUYKQG-UHFFFAOYSA-L,C32H14BaCuN8O6S2,871.5,870.882617,,211,1300,0,0,14,0,50,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
IRON PHTHALOCYANINE,000132-16-1,123025,"2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;iron(2+)",C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.[Fe+2],InChI=1S/C32H16N8.Fe/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+2,MIINHRNQLVVCEW-UHFFFAOYSA-N,C32H16FeN8,568.4,568.084728,,79.3,709,0,0,8,0,41,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
MANGANESE PHTHALOCYANINE,014325-24-7,6508743,"2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;manganese(2+)",C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.[Mn+2],InChI=1S/C32H16N8.Mn/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+2,ICIFYHOILPYQKB-UHFFFAOYSA-N,C32H16MnN8,567.5,567.087836,,79.3,709,0,0,8,0,41,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4',4'',4'''-TETRASULFONYL COPPER PHTHALOCYANINE, TETRA SODIUM SALT",123439-80-5,3005642,"copper 2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-5,15,24,33-tetrasulfonic acid",C1=CC2=C(C(=C1)S(=O)(=O)O)C3=NC4=NC(=NC5=C6C=CC(=CC6=C([N-]5)N=C7C8=C(C=C(C=C8)S(=O)(=O)O)C(=N7)N=C2[N-]3)S(=O)(=O)O)C9=C4C=CC(=C9)S(=O)(=O)O.[Cu+2],"InChI=1S/C32H16N8O12S4.Cu/c41-53(42,43)13-4-7-16-20(10-13)29-33-25(16)35-30-22-12-15(55(47,48)49)6-9-18(22)27(37-30)39-32-24-19(2-1-3-23(24)56(50,51)52)28(40-32)38-31-21-11-14(54(44,45)46)5-8-17(21)26(34-29)36-31;/h1-12H,(H4-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52);/q-2;+2",CMYOSIPFSOPTRC-UHFFFAOYSA-N,C32H16CuN8O12S4,896.3,894.90665,,330,1960,0,4,20,4,57,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TITANIUM, OXO[29H,31H-PHTHALOCYANINATO(2-)-N29,N30,N31,N32]-, (SP-5-12)-",026201-32-1,168494,"2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;oxotitanium(2+)",C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.O=[Ti+2],InChI=1S/C32H16N8.O.Ti/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;;/h1-16H;;/q-2;;+2,SJHHDDDGXWOYOE-UHFFFAOYSA-N,C32H16N8OTi,576.4,576.0926478,,96.4,711,0,0,9,0,42,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NICKEL(II)PHTHALOCYANINE TETRASULFONIC ACID, TETRASODIUM SALT",027835-99-0,22836350,"tetrasodium;2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-6,15,24,34-tetrasulfonate;nickel(2+)",C1=CC2=C(C=C1S(=O)(=O)[O-])C3=NC4=NC(=NC5=C6C=C(C=CC6=C([N-]5)N=C7C8=C(C=CC(=C8)S(=O)(=O)[O-])C(=N7)N=C2[N-]3)S(=O)(=O)[O-])C9=C4C=C(C=C9)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Ni+2],"InChI=1S/C32H16N8O12S4.4Na.Ni/c41-53(42,43)13-1-5-17-21(9-13)29-34-25(17)33-26-18-6-2-15(55(47,48)49)11-23(18)31(35-26)40-32-24-12-16(56(50,51)52)4-8-20(24)28(39-32)38-30-22-10-14(54(44,45)46)3-7-19(22)27(36-29)37-30;;;;;/h1-12H,(H4-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52);;;;;/q-2;4*+1;+2/p-4",UAMQBHBCNOEWGQ-UHFFFAOYSA-J,C32H12N8Na4NiO12S4,979.4,977.840171,,342,1910,0,0,20,0,61,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"CUPRATE(1-), [29H,31H-PHTHALOCYANINE-C-SULFONATO(3-)-N29,N30,N31,N32]-, HYDROG",028901-96-4,168434370,"copper;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene-6-sulfonate;hydron",[H+].C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC(=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)S(=O)(=O)[O-])C9=CC=CC=C94.[Cu+2],"InChI=1S/C32H16N8O3S.Cu/c41-44(42,43)16-13-14-23-24(15-16)32-39-30-22-12-6-5-11-21(22)28(37-30)35-26-18-8-2-1-7-17(18)25(33-26)34-27-19-9-3-4-10-20(19)29(36-27)38-31(23)40-32;/h1-15H,(H-2,33,34,35,36,37,38,39,40,41,42,43);/q-2;+2",LDDRWOFHRZOCDP-UHFFFAOYSA-N,C32H16CuN8O3S,656.1,655.036205,,142,1520,0,1,7,0,45,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"CUPRATE(3-), [29H,31H-PHTHALOCYANINE-C,C,C-TRISULFONATO(5-)-N29,N30,N31,N32]-,",108300-90-9,138059626,"copper;2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31,33,35-nonadecaene-6,16,24-trisulfonic acid;tris((Z)-octadec-9-en-1-amine)",CCCCCCCC/C=C\CCCCCCCCN.CCCCCCCC/C=C\CCCCCCCCN.CCCCCCCC/C=C\CCCCCCCCN.C1=CC=C2C3=NC4=NC(=NC5=C6C(=C([N-]5)N=C7N=C(N=C(C2=C1)[N-]3)C8=C7C=C(C=C8)S(=O)(=O)O)C=C(C=C6)S(=O)(=O)O)C9=C4C=C(C=C9)S(=O)(=O)O.[Cu+2],"InChI=1S/C32H16N8O9S3.3C18H37N.Cu/c41-50(42,43)14-5-8-19-22(11-14)30-36-26-18-4-2-1-3-17(18)25(33-26)34-27-20-9-6-15(51(44,45)46)12-23(20)31(38-27)40-32-24-13-16(52(47,48)49)7-10-21(24)29(39-32)35-28(19)37-30;3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h1-13H,(H3-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49);3*9-10H,2-8,11-19H2,1H3;/q-2;;;;+2/b;3*10-9-;",HZOZQGDFZUAANE-HJLYZDAFSA-N,C86H127CuN11O9S3,1618.7,1616.827635,,346,1870,0,6,20,48,110,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
STIGMASTEROL,000083-48-7,5280794,"(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C,"InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",HCXVJBMSMIARIN-PHZDYDNGSA-N,C29H48O,412.7,412.3705162,8.6,20.2,674,0,1,1,5,30,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
5-PREGNEN-3B-OL-20-ONE,000145-13-1,8955,"1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone",CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1",ORNBQBCIOKFOEO-QGVNFLHTSA-N,C21H32O2,316.5,316.2402303,4.2,37.3,550,0,1,2,1,23,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
BRASSICASTEROL,000474-67-9,5281327,"(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol",C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,"InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1",OILXMJHPFNGGTO-ZAUYPBDWSA-N,C28H46O,398.7,398.3548661,8,20.2,659,0,1,1,4,29,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"17-methyl-Androst-5-ene-3,17-diol (3-beta,17-beta)",000521-10-8,229021,"(3S,8R,9S,10R,13S,14S,17S)-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol",C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C)O,"InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h4,14-17,21-22H,5-12H2,1-3H3/t14-,15+,16-,17-,18-,19-,20-/m0/s1",WRWBCPJQPDHXTJ-DTMQFJJTSA-N,C20H32O2,304.5,304.2402303,3.7,40.5,512,0,2,2,0,22,,,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CHOLESTERYL CHLOROFORMATE,007144-08-3,111262,"[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonochloridate",C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)Cl)C)C,"InChI=1S/C28H45ClO2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-26(29)30)13-15-27(20,4)25(22)14-16-28(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,27+,28-/m1/s1",QNEPTKZEXBPDLF-JDTILAPWSA-N,C28H45ClO2,449.1,448.3108084,10.2,26.3,699,0,0,2,7,31,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
5-ANDROSTENEDIOL,000521-17-5,10634,"(3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC=C4[C@@]3(CC[C@@H](C4)O)C,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1",QADHLRWLCPCEKT-LOVVWNRFSA-N,C19H30O2,290.4,290.2245802,3.5,40.5,470,0,2,2,0,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"CHOLEST-5-EN-3-OL (3.BETA.)-, NONANOATE",001182-66-7,2723614,"[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate",CCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C,"InChI=1S/C36H62O2/c1-7-8-9-10-11-12-16-34(37)38-29-21-23-35(5)28(25-29)17-18-30-32-20-19-31(27(4)15-13-14-26(2)3)36(32,6)24-22-33(30)35/h17,26-27,29-33H,7-16,18-25H2,1-6H3/t27-,29+,30+,31-,32+,33+,35+,36-/m1/s1",WCLNGBQPTVENHV-MKQVXYPISA-N,C36H62O2,526.9,526.4749812,12.7,26.3,797,0,0,2,14,38,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
5-PREGNEN-3-B-OL-20-ONE ACETATE,001778-02-5,2723722,"[(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate",CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C,"InChI=1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,17-21H,6-13H2,1-4H3/t17-,18-,19+,20-,21-,22-,23+/m0/s1",CRRKVZVYZQXICQ-RJJCNJEVSA-N,C23H34O3,358.5,358.2507949,4.8,43.4,650,0,0,3,3,26,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Hydantoin, 5-ethyl-3-methyl-5-phenyl-",000050-12-4,4060,"5-ethyl-3-methyl-5-phenylimidazolidine-2,4-dione",CCC1(C(=O)N(C(=O)N1)C)C2=CC=CC=C2,"InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)14(2)11(16)13-12/h4-8H,3H2,1-2H3,(H,13,16)",GMHKMTDVRCWUDX-UHFFFAOYSA-N,C12H14N2O2,218.25,218.1055277,1.5,49.4,310,0,1,2,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-IMIDAZOLIDINEDIONE, 5-PHENYL-",000089-24-7,1002,"5-phenylimidazolidine-2,4-dione",C1=CC=C(C=C1)C2C(=O)NC(=O)N2,"InChI=1S/C9H8N2O2/c12-8-7(10-9(13)11-8)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12,13)",NXQJDVBMMRCKQG-UHFFFAOYSA-N,C9H8N2O2,176.17,176.0585775,0.5,58.2,234,0,2,2,1,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"5-ethyl-5-phenyl-, (-)-Hydantoin",065567-32-0,667433,"(5R)-5-ethyl-5-phenylimidazolidine-2,4-dione",CC[C@]1(C(=O)NC(=O)N1)C2=CC=CC=C2,"InChI=1S/C11H12N2O2/c1-2-11(8-6-4-3-5-7-8)9(14)12-10(15)13-11/h3-7H,2H2,1H3,(H2,12,13,14,15)/t11-/m1/s1",UDTWZFJEMMUFLC-LLVKDONJSA-N,C11H12N2O2,204.22,204.0898776,1.5,58.2,284,0,2,2,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydantoin, 5-ethyl-5-phenyl-",631-07-2,91480,"5-ethyl-5-phenylimidazolidine-2,4-dione",CCC1(C(=O)NC(=O)N1)C2=CC=CC=C2,"InChI=1S/C11H12N2O2/c1-2-11(8-6-4-3-5-7-8)9(14)12-10(15)13-11/h3-7H,2H2,1H3,(H2,12,13,14,15)",UDTWZFJEMMUFLC-UHFFFAOYSA-N,C11H12N2O2,204.22,204.0898776,1.5,58.2,284,0,2,2,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydantoin, 5-methyl-5-phenyl-",6843-49-8,93043,"5-methyl-5-phenylimidazolidine-2,4-dione",CC1(C(=O)NC(=O)N1)C2=CC=CC=C2,"InChI=1S/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)",JNGWGQUYLVSFND-UHFFFAOYSA-N,C10H10N2O2,190.2,190.0742276,1,58.2,271,0,2,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Hydantoin, 5-(2,4-dichlorophenyl)-5-methyl-",64464-19-3,47368,"5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione",CC1(C(=O)NC(=O)N1)C2=C(C=C(C=C2)Cl)Cl,"InChI=1S/C10H8Cl2N2O2/c1-10(8(15)13-9(16)14-10)6-3-2-5(11)4-7(6)12/h2-4H,1H3,(H2,13,14,15,16)",CNSCQYYNEHSGNU-UHFFFAOYSA-N,C10H8Cl2N2O2,259.09,257.9962829,2.3,58.2,337,0,2,2,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"RPA 412636, plant metabolite of fenamidone",,640021,"(5S)-5-methyl-5-phenylimidazolidine-2,4-dione",C[C@@]1(C(=O)NC(=O)N1)C2=CC=CC=C2,"InChI=1S/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)/t10-/m0/s1",JNGWGQUYLVSFND-JTQLQIEISA-N,C10H10N2O2,190.2,190.0742276,1,58.2,271,0,2,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydantoin, 3-ethyl-5-phenyl-",000086-35-1,3292,"3-ethyl-5-phenylimidazolidine-2,4-dione",CCN1C(=O)C(NC1=O)C2=CC=CC=C2,"InChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)",SZQIFWWUIBRPBZ-UHFFFAOYSA-N,C11H12N2O2,204.22,204.0898776,1,49.4,272,0,1,2,2,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hydantoin, 5-(p-methoxyphenyl)-5-methyl-",22927-78-2,211351,"5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione",CC1(C(=O)NC(=O)N1)C2=CC=C(C=C2)OC,"InChI=1S/C11H12N2O3/c1-11(9(14)12-10(15)13-11)7-3-5-8(16-2)6-4-7/h3-6H,1-2H3,(H2,12,13,14,15)",BVKMJNLLWFFTEI-UHFFFAOYSA-N,C11H12N2O3,220.22,220.0847923,1,67.4,310,0,2,3,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-Imidazolidinedione, 5-ethyl-5-(4-hydroxyphenyl)-",61837-66-9,173835,"5-ethyl-5-(4-hydroxyphenyl)imidazolidine-2,4-dione",CCC1(C(=O)NC(=O)N1)C2=CC=C(C=C2)O,"InChI=1S/C11H12N2O3/c1-2-11(9(15)12-10(16)13-11)7-3-5-8(14)6-4-7/h3-6,14H,2H2,1H3,(H2,12,13,15,16)",LZFIVJCLUUNXKT-UHFFFAOYSA-N,C11H12N2O3,220.22,220.0847923,1.2,78.4,310,0,3,3,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,4-Imidazolidinedione, 5-ethyl-3-methyl-5-phenyl-, (S)-",70989-04-7,107921,"(5S)-5-ethyl-3-methyl-5-phenylimidazolidine-2,4-dione",CC[C@@]1(C(=O)N(C(=O)N1)C)C2=CC=CC=C2,"InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)14(2)11(16)13-12/h4-8H,3H2,1-2H3,(H,13,16)/t12-/m0/s1",GMHKMTDVRCWUDX-LBPRGKRZSA-N,C12H14N2O2,218.25,218.1055277,1.5,49.4,310,0,1,2,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzonitrile, 4-(4-methyl-2,5-dioxo-4-imidazolidinyl)-",169808-00-8,3074981,"4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile",CC1(C(=O)NC(=O)N1)C2=CC=C(C=C2)C#N,"InChI=1S/C11H9N3O2/c1-11(9(15)13-10(16)14-11)8-4-2-7(6-12)3-5-8/h2-5H,1H3,(H2,13,14,15,16)",NBPPTCRAKRHCOX-UHFFFAOYSA-N,C11H9N3O2,215.21,215.0694765,0.7,82,376,0,2,3,1,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-IMIDAZOLIDINONE, 1,3-BIS(HYDROXYMETHYL)-",000136-84-5,8704,"1,3-bis(hydroxymethyl)imidazolidin-2-one",C1CN(C(=O)N1CO)CO,"InChI=1S/C5H10N2O3/c8-3-6-1-2-7(4-9)5(6)10/h8-9H,1-4H2",WVJOGYWFVNTSAU-UHFFFAOYSA-N,C5H10N2O3,146.14,146.0691422,-1.1,64,125,0,2,3,2,10,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"2-IMIDAZOLIDINONE, 1-(2-AMINOETHYL)-",006281-42-1,80480,1-(2-aminoethyl)imidazolidin-2-one,C1CN(C(=O)N1)CCN,"InChI=1S/C5H11N3O/c6-1-3-8-4-2-7-5(8)9/h1-4,6H2,(H,7,9)",PODSUMUEKRUDEI-UHFFFAOYSA-N,C5H11N3O,129.16,129.090212,-1.6,58.4,115,0,2,2,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
D-DESTHIOBIOTIN,000533-48-2,445027,"6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid",C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O,"InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1",AUTOLBMXDDTRRT-JGVFFNPUSA-N,C10H18N2O3,214.26,214.1317424,0.8,78.4,243,0,3,3,6,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-IMIDAZOLIDINONE, 1-(2-HYDROXYETHYL)-",003699-54-5,77290,1-(2-hydroxyethyl)imidazolidin-2-one,C1CN(C(=O)N1)CCO,"InChI=1S/C5H10N2O2/c8-4-3-7-2-1-6-5(7)9/h8H,1-4H2,(H,6,9)",HBAIZGPCSAAFSU-UHFFFAOYSA-N,C5H10N2O2,130.15,130.0742276,-1.4,52.6,116,0,2,2,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-IMIDAZOLIDINONE, 4,5-DIHYDROXY-",003720-97-6,97915,"4,5-dihydroxyimidazolidin-2-one",C1(C(NC(=O)N1)O)O,"InChI=1S/C3H6N2O3/c6-1-2(7)5-3(8)4-1/h1-2,6-7H,(H2,4,5,8)",NNTWKXKLHMTGBU-UHFFFAOYSA-N,C3H6N2O3,118.09,118.0378421,-1.9,81.6,103,0,4,3,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-IMIDAZOLIDINONE, 4-METHYL-",006531-31-3,97832,4-methylimidazolidin-2-one,CC1CNC(=O)N1,"InChI=1S/C4H8N2O/c1-3-2-5-4(7)6-3/h3H,2H2,1H3,(H2,5,6,7)",DWEQVNFWAKJCEY-UHFFFAOYSA-N,C4H8N2O,100.12,100.0636629,-0.4,41.1,91,0,2,1,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-IMIDAZOLIDINONE, 4,5-DIMETHOXY-1,3-BIS(METHOXYMETHYL)-",004356-60-9,107270,"4,5-dimethoxy-1,3-bis(methoxymethyl)imidazolidin-2-one",COCN1C(C(N(C1=O)COC)OC)OC,"InChI=1S/C9H18N2O5/c1-13-5-10-7(15-3)8(16-4)11(6-14-2)9(10)12/h7-8H,5-6H2,1-4H3",ZSSJQYMNCUJSBR-UHFFFAOYSA-N,C9H18N2O5,234.25,234.1215717,-0.6,60.5,216,0,0,5,6,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-IMIDAZOLIDINONE, 4,5-DIHYDROXY-1,3-DIMETHYL-",003923-79-3,73539,"4,5-dihydroxy-1,3-dimethylimidazolidin-2-one",CN1C(C(N(C1=O)C)O)O,"InChI=1S/C5H10N2O3/c1-6-3(8)4(9)7(2)5(6)10/h3-4,8-9H,1-2H3",LGJMYGMNWHYGCB-UHFFFAOYSA-N,C5H10N2O3,146.14,146.0691422,-1.5,64,145,0,2,3,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
2-IMIDAZOLIDINONE,000120-93-4,8453,imidazolidin-2-one,C1CNC(=O)N1,"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)",YAMHXTCMCPHKLN-UHFFFAOYSA-N,C3H6N2O,86.09,86.04801282,-1.3,41.1,63,0,2,1,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,1,0
"2-Imidazolidinone, 1,3-diethenyl-",13811-50-2,83742,"1,3-bis(ethenyl)imidazolidin-2-one",C=CN1CCN(C1=O)C=C,"InChI=1S/C7H10N2O/c1-3-8-5-6-9(4-2)7(8)10/h3-4H,1-2,5-6H2",HMYBDZFSXBJDGL-UHFFFAOYSA-N,C7H10N2O,138.17,138.0793129,0.5,23.6,158,0,0,1,2,10,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,0,0,1,0
AMPICILLIN,000069-53-4,6249,"(2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C,"InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1",AVKUERGKIZMTKX-NJBDSQKTSA-N,C16H19N3O4S,349.4,349.1096273,-1.1,138,562,0,3,6,4,24,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,1,1,0,1
CARBENICILLIN DISODIUM,004800-94-6,20933,"disodium;(2S,5R,6R)-6-[(2-carboxylato-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)[O-])C(=O)[O-])C.[Na+].[Na+],"InChI=1S/C17H18N2O6S.2Na/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8;;/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25);;/q;2*+1/p-2/t9?,10-,11+,14-;;/m1../s1",RTYJTGSCYUUYAL-YCAHSCEMSA-L,C17H16N2Na2O6S,422.4,422.052446,,155,634,0,1,7,3,28,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
AMOXICILLIN,026787-78-0,33613,"(2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C,"InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1",LSQZJLSUYDQPKJ-NJBDSQKTSA-N,C16H19N3O5S,365.4,365.1045419,-2,158,590,0,4,7,4,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
CARBENICILLIN,004697-36-3,20824,"(2S,5R,6R)-6-[(2-carboxy-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)C(=O)O)C,"InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9?,10-,11+,14-/m1/s1",FPPNZSSZRUTDAP-UWFZAAFLSA-N,C17H18N2O6S,378.4,378.0885575,1.1,149,645,0,3,7,5,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((amino(4-hydroxyphenyl",061336-70-7,62883,"(2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;trihydrate",CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C.O.O.O,"InChI=1S/C16H19N3O5S.3H2O/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;;;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);3*1H2/t9-,10-,11+,14-;;;/m1.../s1",MQXQVCLAUDMCEF-CWLIKTDRSA-N,C16H25N3O8S,419.5,419.1362359,,161,590,0,7,10,4,28,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1,0,0
"4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-(2-(p-hydroxyphenyl)acetamido)-7-oxo-",525-91-7,120720,"(2S,5R,6R)-6-[[2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=C(C=C3)O)C(=O)O)C,"InChI=1S/C16H18N2O5S/c1-16(2)12(15(22)23)18-13(21)11(14(18)24-16)17-10(20)7-8-3-5-9(19)6-4-8/h3-6,11-12,14,19H,7H2,1-2H3,(H,17,20)(H,22,23)/t11-,12+,14-/m1/s1",AZCVBVRUYHKWHU-MBNYWOFBSA-N,C16H18N2O5S,350.4,350.0936429,1.5,132,559,0,3,6,4,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Glycinamide, N-methyl-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-(4-hydroxyphenyl)-, (2S-(2-alpha,5-alpha,6-beta))-",63358-49-6,71961,"(2S,5R,6R)-6-[[(2R)-2-[[(2R)-2-amino-4-(methylamino)-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)NC(=O)[C@@H](CC(=O)NC)N)C(=O)O)C,"InChI=1S/C21H27N5O7S/c1-21(2)15(20(32)33)26-18(31)14(19(26)34-21)25-17(30)13(9-4-6-10(27)7-5-9)24-16(29)11(22)8-12(28)23-3/h4-7,11,13-15,19,27H,8,22H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,32,33)/t11-,13-,14-,15+,19-/m1/s1",BHELIUBJHYAEDK-OAIUPTLZSA-N,C21H27N5O7S,493.5,493.1631194,-3.4,216,860,0,6,9,8,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM PENICILLIN,000069-57-8,23668834,"sodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-])C.[Na+],"InChI=1S/C16H18N2O4S.Na/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1/t11-,12+,14-;/m1./s1",FCPVYOBCFFNJFS-LQDWTQKMSA-M,C16H17N2NaO4S,356.4,356.0806725,,115,536,0,1,5,4,24,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,1,0,1,1,0,0
AMPICILLIN TRIHYDRATE,007177-48-2,23565,"(2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;trihydrate",CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C.O.O.O,"InChI=1S/C16H19N3O4S.3H2O/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;;;/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);3*1H2/t9-,10-,11+,14-;;;/m1.../s1",RXDALBZNGVATNY-CWLIKTDRSA-N,C16H25N3O7S,403.5,403.1413213,,141,562,0,6,9,4,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
AMPICILLIN SODIUM,000069-52-3,23663979,"sodium (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)[O-])C.[Na+],"InChI=1S/C16H19N3O4S.Na/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);/q;+1/p-1/t9-,10-,11+,14-;/m1./s1",KLOHDWPABZXLGI-YWUHCJSESA-M,C16H18N3NaO4S,371.4,371.0915715,,141,568,0,2,6,4,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
PENICILLIN G,000061-33-6,5904,"(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C,"InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",JGSARLDLIJGVTE-MBNYWOFBSA-N,C16H18N2O4S,334.4,334.0987282,1.8,112,530,0,2,5,4,23,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1,0,0
2-METHYLBENZOXAZOLE,000095-21-6,7225,"2-methyl-1,3-benzoxazole",CC1=NC2=CC=CC=C2O1,"InChI=1S/C8H7NO/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3",DQSHFKPKFISSNM-UHFFFAOYSA-N,C8H7NO,133.15,133.0527638,2.2,26,126,0,0,2,0,10,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BENZOXAZOLE, 2-CHLORO-",000615-18-9,11986,"2-chloro-1,3-benzoxazole",C1=CC=C2C(=C1)N=C(O2)Cl,InChI=1S/C7H4ClNO/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,BBVQDWDBTWSGHQ-UHFFFAOYSA-N,C7H4ClNO,153.56,152.9981414,2.8,26,131,0,0,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOXAZOLE, 2,5,6-TRIMETHYL-",019219-98-8,87965,"2,5,6-trimethyl-1,3-benzoxazole",CC1=CC2=C(C=C1C)OC(=N2)C,"InChI=1S/C10H11NO/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H,1-3H3",PDVDINPEWGXOHX-UHFFFAOYSA-N,C10H11NO,161.2,161.084064,2.9,26,171,0,0,2,0,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOXAZOLE, 2,5-DIMETHYL-",005676-58-4,21884,"2,5-dimethyl-1,3-benzoxazole",CC1=CC2=C(C=C1)OC(=N2)C,"InChI=1S/C9H9NO/c1-6-3-4-9-8(5-6)10-7(2)11-9/h3-5H,1-2H3",XVQGFGKAPKEUFT-UHFFFAOYSA-N,C9H9NO,147.17,147.0684139,2.5,26,148,0,0,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoxazole, 2-amino-5-chloro-",61-80-3,6103,"5-chloro-1,3-benzoxazol-2-amine",C1=CC2=C(C=C1Cl)N=C(O2)N,"InChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)",YGCODSQDUUUKIV-UHFFFAOYSA-N,C7H5ClN2O,168.58,168.0090405,2.5,52.1,155,0,1,3,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoxazole, 2-amino-5-bromo-",64037-07-6,46380,"5-bromo-1,3-benzoxazol-2-amine",C1=CC2=C(C=C1Br)N=C(O2)N,"InChI=1S/C7H5BrN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)",HMRSJGDFTOUVBW-UHFFFAOYSA-N,C7H5BrN2O,213.03,211.95853,2.5,52.1,155,0,1,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoxazole, 2-amino-5-methoxy-",64037-14-5,46387,"5-methoxy-1,3-benzoxazol-2-amine",COC1=CC2=C(C=C1)OC(=N2)N,"InChI=1S/C8H8N2O2/c1-11-5-2-3-7-6(4-5)10-8(9)12-7/h2-4H,1H3,(H2,9,10)",YCBIFQTZAQVLTQ-UHFFFAOYSA-N,C8H8N2O2,164.16,164.0585775,1.8,61.3,165,0,1,4,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoxazole, 2-amino-5-nitro-",64037-16-7,46389,"5-nitro-1,3-benzoxazol-2-amine",C1=CC2=C(C=C1[N+](=O)[O-])N=C(O2)N,"InChI=1S/C7H5N3O3/c8-7-9-5-3-4(10(11)12)1-2-6(5)13-7/h1-3H,(H2,8,9)",QHVCONQZXJPGQZ-UHFFFAOYSA-N,C7H5N3O3,179.13,179.033091,1.7,97.9,218,0,1,5,0,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZOXAZOLE,000273-53-0,9228,"1,3-benzoxazole",C1=CC=C2C(=C1)N=CO2,InChI=1S/C7H5NO/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,BCMCBBGGLRIHSE-UHFFFAOYSA-N,C7H5NO,119.12,119.0371138,1.6,26,105,0,0,2,0,9,,,0,0,1,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"Benzoxazole, 2-amino-",4570-41-6,20707,"1,3-benzoxazol-2-amine",C1=CC=C2C(=C1)N=C(O2)N,"InChI=1S/C7H6N2O/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)",JPBLHOJFMBOCAF-UHFFFAOYSA-N,C7H6N2O,134.14,134.0480128,1.5,52.1,129,0,1,3,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BICYCLO[2.2.1]HEPTAN-2-ONE, 1,3,3-TRIMETHYL-",001195-79-5,14525,"1,3,3-trimethylbicyclo[2.2.1]heptan-2-one",CC1(C2CCC(C2)(C1=O)C)C,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",LHXDLQBQYFFVNW-UHFFFAOYSA-N,C10H16O,152.23,152.1201151,2.3,17.1,217,0,0,1,0,11,,192.00 to 194.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"BICYCLO[2.2.1]HEPTAN-2-ONE, 1,3,3-TRIMETHYL-, (1R)-",007787-20-4,82229,"(1R,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one",C[C@@]12CC[C@@H](C1)C(C2=O)(C)C,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m0/s1",LHXDLQBQYFFVNW-OIBJUYFYSA-N,C10H16O,152.23,152.1201151,2.3,17.1,217,0,0,1,0,11,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
D-CAMPHOR,000464-49-3,159055,"(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",C[C@@]12CC[C@@H](C1(C)C)CC2=O,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1",DSSYKIVIOFKYAU-XCBNKYQSSA-N,C10H16O,152.23,152.1201151,2.2,17.1,217,0,0,1,0,11,"148 °F (NTP, 1992)","399 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1
NORCAMPHOR,000497-38-1,10345,bicyclo[2.2.1]heptan-2-one,C1CC2CC1CC2=O,"InChI=1S/C7H10O/c8-7-4-5-1-2-6(7)3-5/h5-6H,1-4H2",KPMKEVXVVHNIEY-UHFFFAOYSA-N,C7H10O,110.15,110.0731649,1,17.1,128,0,0,1,0,8,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
CAMPHOR,000076-22-2,2537,"1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",CC1(C2CCC1(C(=O)C2)C)C,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3",DSSYKIVIOFKYAU-UHFFFAOYSA-N,C10H16O,152.23,152.1201151,2.2,17.1,217,0,0,1,0,11,"150 °F (NIOSH, 2024)","399 °F at 760 mmHg (NIOSH, 2024)",0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1
D-10-CAMPHORSULFONIC ACID,003144-16-9,65617,"[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid",CC1([C@@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)O)C,"InChI=1S/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)/t7-,10-/m1/s1",MIOPJNTWMNEORI-GMSGAONNSA-N,C10H16O4S,232.3,232.0769302,0.5,79.8,404,0,1,4,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
(1R)-(-)-10-CAMPHORSULFONIC ACID,035963-20-3,5771688,"[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid",CC1([C@H]2CC[C@@]1(C(=O)C2)CS(=O)(=O)O)C,"InChI=1S/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)/t7-,10-/m0/s1",MIOPJNTWMNEORI-XVKPBYJWSA-N,C10H16O4S,232.3,232.0769302,0.5,79.8,404,0,1,4,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
DL-6-OXOBORNANE-10-SULPHONIC ACID,005872-08-2,18462,"(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonic acid",CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C,"InChI=1S/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)",MIOPJNTWMNEORI-UHFFFAOYSA-N,C10H16O4S,232.3,232.0769302,0.5,79.8,404,0,1,4,2,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-Bornanone, 3-bromo-, (1R,3S,4S)-(+)-",10293-06-8,512864,"(1R,3S,4S)-3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",C[C@@]12CC[C@@H](C1(C)C)[C@@H](C2=O)Br,"InChI=1S/C10H15BrO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-7H,4-5H2,1-3H3/t6-,7+,10+/m1/s1",NJQADTYRAYFBJN-FWWHASMVSA-N,C10H15BrO,231.13,230.03063,2.9,17.1,246,0,0,1,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(+)-3-(TRIFLUOROACETYL)CAMPHOR,051800-98-7,521351,"1,7,7-trimethyl-3-(2,2,2-trifluoroacetyl)bicyclo[2.2.1]heptan-2-one",CC1(C2CCC1(C(=O)C2C(=O)C(F)(F)F)C)C,"InChI=1S/C12H15F3O2/c1-10(2)6-4-5-11(10,3)8(16)7(6)9(17)12(13,14)15/h6-7H,4-5H2,1-3H3",ISLOIHOAZDSEAJ-UHFFFAOYSA-N,C12H15F3O2,248.24,248.1024142,3.3,34.1,397,0,0,5,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(1R)-(+)-ALPHA-PINENE,007785-70-8,82227,"(1R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene",CC1=CC[C@@H]2C[C@H]1C2(C)C,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1",GRWFGVWFFZKLTI-RKDXNWHRSA-N,C10H16,136.23,136.1252005,2.8,0,186,0,0,0,0,10,,155.00 to 156.00 °C. @ 760.00 mm Hg,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,1,0,0
PINENE,000080-56-8,6654,"2,6,6-trimethylbicyclo[3.1.1]hept-2-ene",CC1=CCC2CC1C2(C)C,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",GRWFGVWFFZKLTI-UHFFFAOYSA-N,C10H16,136.23,136.1252005,2.8,0,186,0,0,0,0,10,"91 °F (NTP, 1992)","313.2 °F at 760 mmHg (NTP, 1992)",1,0,0,1,1,0,1,1,1,0,0,0,0,0,0,0,1,1,0,0
(-)-PIN-2(3)-ENE,007785-26-4,440968,"(1S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene",CC1=CC[C@H]2C[C@@H]1C2(C)C,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1",GRWFGVWFFZKLTI-IUCAKERBSA-N,C10H16,136.23,136.1252005,2.8,0,186,0,0,0,0,10,,155.00 to 157.00 °C. @ 760.00 mm Hg,1,0,0,1,1,0,1,0,1,0,0,0,0,0,0,0,1,1,0,0
"BICYCLO[3.1.1]HEPT-2-ENE-2-ETHANOL, 6,6-DIMETHYL-",000128-50-7,31408,"2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethanol",CC1(C2CC=C(C1C2)CCO)C,"InChI=1S/C11H18O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,9-10,12H,4-7H2,1-2H3",ROKSAUSPJGWCSM-UHFFFAOYSA-N,C11H18O,166.26,166.1357652,2.1,20.2,215,0,1,1,2,12,,230.00 to 240.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"BICYCLO[3.1.1]HEPT-2-ENE-2-METHANOL, 6,6-DIMETHYL-",000515-00-4,10582,"(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol",CC1(C2CC=C(C1C2)CO)C,"InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3",RXBQNMWIQKOSCS-UHFFFAOYSA-N,C10H16O,152.23,152.1201151,1.6,20.2,203,0,1,1,1,11,,221.00 to 222.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BICYCLO[3.1.1]HEPT-3-EN-2-OL, 4,6,6-TRIMETHYL-, (1.ALPHA.,2.ALPHA.,5.ALPHA.)-",001820-09-3,89664,"(1R,2S,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol",CC1=C[C@@H]([C@@H]2C[C@H]1C2(C)C)O,"InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9+/m1/s1",WONIGEXYPVIKFS-VGMNWLOBSA-N,C10H16O,152.23,152.1201151,1.6,20.2,215,0,1,1,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BICYCLO[3.1.1]HEPT-3-EN-2-OL, 4,6,6-TRIMETHYL-, [1S-(1.ALPHA.,2.BETA.,5.ALPHA.",018881-04-4,87839,"(1S,2S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol",CC1=C[C@@H]([C@H]2C[C@@H]1C2(C)C)O,"InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9-/m0/s1",WONIGEXYPVIKFS-YIZRAAEISA-N,C10H16O,152.23,152.1201151,1.6,20.2,215,0,1,1,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BICYCLO[3.1.1]HEPT-2-ENE-2-ETHANOL, 6,6-DIMETHYL-, ACETATE",000128-51-8,929336,"2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl acetate",CC(=O)OCCC1=CC[C@H]2C[C@@H]1C2(C)C,"InChI=1S/C13H20O2/c1-9(14)15-7-6-10-4-5-11-8-12(10)13(11,2)3/h4,11-12H,5-8H2,1-3H3/t11-,12-/m0/s1",AWNOGHRWORTNEI-RYUDHWBXSA-N,C13H20O2,208.3,208.1463299,2.6,26.3,302,0,0,2,4,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"Ethanamine, 2-(2-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethoxy)-N,N-diethyl-",7712-50-7,76969111,"2-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethoxy]-N,N-diethylethanamine",CCN(CC)CCOCCC1=CC[C@H]2C[C@@H]1C2(C)C,"InChI=1S/C17H31NO/c1-5-18(6-2)10-12-19-11-9-14-7-8-15-13-16(14)17(15,3)4/h7,15-16H,5-6,8-13H2,1-4H3/t15-,16-/m0/s1",BZRYYBWNOUALTQ-HOTGVXAUSA-N,C17H31NO,265.4,265.2405646,3.4,12.5,317,0,0,2,8,19,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"Bicyclo(3.1.1)hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)-, (1S,5S,6R)-",13474-59-4,6429302,"(1S,5S,6R)-2,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene",CC1=CC[C@H]2C[C@@H]1[C@]2(C)CCC=C(C)C,"InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15+/m0/s1",YMBFCQPIMVLNIU-SOUVJXGZSA-N,C15H24,204.35,204.1878008,4.8,0,304,0,0,0,3,15,,,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-OXAZOLIDINEETHANOL, 2-(1-METHYLETHYL)-",028770-01-6,120043,"2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethanol",CC(C)C1N(CCO1)CCO,"InChI=1S/C8H17NO2/c1-7(2)8-9(3-5-10)4-6-11-8/h7-8,10H,3-6H2,1-2H3",DZARITHRMKPIQB-UHFFFAOYSA-N,C8H17NO2,159.23,159.1259288,0.7,32.7,117,0,1,3,3,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"OXAZOLIDINE, 4-ETHYL-2-METHYL-2-(3-METHYLBUTYL)-",137796-06-6,5105001,"4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine",CCC1COC(N1)(C)CCC(C)C,"InChI=1S/C11H23NO/c1-5-10-8-13-11(4,12-10)7-6-9(2)3/h9-10,12H,5-8H2,1-4H3",QJMLZAWFWIPNOD-UHFFFAOYSA-N,C11H23NO,185.31,185.1779644,2.8,21.3,158,0,1,2,4,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
3-ETHYL-2-METHYL-2-(3-METHYLBUTYL)OXAZOLIDINE,143860-04-2,4199499,"3-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine",CCN1CCOC1(C)CCC(C)C,"InChI=1S/C11H23NO/c1-5-12-8-9-13-11(12,4)7-6-10(2)3/h10H,5-9H2,1-4H3",LIKGLDATLCWEDN-UHFFFAOYSA-N,C11H23NO,185.31,185.1779644,2.6,12.5,158,0,0,2,4,13,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0
"3-OXAZOLIDINEETHANAMINE, .ALPHA.,.ALPHA.,4,4-TETRAMETHYL-2-(1-METHYLETHYL)-N-(",148348-13-4,3892206,"N-[1-(4,4-dimethyl-2-propan-2-yl-1,3-oxazolidin-3-yl)-2-methylpropan-2-yl]-2-methylpropan-1-imine",CC(C)C=NC(C)(C)CN1C(OCC1(C)C)C(C)C,"InChI=1S/C16H32N2O/c1-12(2)9-17-15(5,6)10-18-14(13(3)4)19-11-16(18,7)8/h9,12-14H,10-11H2,1-8H3",JAQBVFDRAFMCAM-UHFFFAOYSA-N,C16H32N2O,268.44,268.2514636,3.2,24.8,319,0,0,3,5,19,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"OXAZOLIDINE, 2-(TRICHLOROMETHYL)-",033373-80-7,99029,"2-(trichloromethyl)-1,3-oxazolidine",C1COC(N1)C(Cl)(Cl)Cl,"InChI=1S/C4H6Cl3NO/c5-4(6,7)3-8-1-2-9-3/h3,8H,1-2H2",YFZMDNJBQWEQRG-UHFFFAOYSA-N,C4H6Cl3NO,190.45,188.951497,1.4,21.3,102,0,1,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OXAZOLIDINE, 3-(DICHLOROACETYL)-2,2,5-TRIMETHYL-",052836-31-4,62019,"2,2-dichloro-1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)ethanone",CC1CN(C(O1)(C)C)C(=O)C(Cl)Cl,"InChI=1S/C8H13Cl2NO2/c1-5-4-11(7(12)6(9)10)8(2,3)13-5/h5-6H,4H2,1-3H3",YNQSILKYZQZHFJ-UHFFFAOYSA-N,C8H13Cl2NO2,226.1,225.032334,1.8,29.5,218,0,0,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Oxazolidine, 3-methyl-",27970-32-7,214264,"3-methyl-1,3-oxazolidine",CN1CCOC1,"InChI=1S/C4H9NO/c1-5-2-3-6-4-5/h2-4H2,1H3",FNKSTXGVEUSZJJ-UHFFFAOYSA-N,C4H9NO,87.12,87.06841391,0,12.5,46,0,0,2,0,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"Oxazolidine, 2-trifluoromethyl-",31185-54-3,207922,"2-(trifluoromethyl)-1,3-oxazolidine",C1COC(N1)C(F)(F)F,"InChI=1S/C4H6F3NO/c5-4(6,7)3-8-1-2-9-3/h3,8H,1-2H2",FBPSIMNHRRIBKV-UHFFFAOYSA-N,C4H6F3NO,141.09,141.0401483,0.7,21.3,102,0,1,5,0,9,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Oxazolidine, N-nitroso-",39884-52-1,114957,"3-nitroso-1,3-oxazolidine",C1COCN1N=O,InChI=1S/C3H6N2O2/c6-4-5-1-2-7-3-5/h1-3H2,RJIPASZIRLEOEO-UHFFFAOYSA-N,C3H6N2O2,102.09,102.0429274,-0.1,41.9,75,0,0,4,0,7,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Oxazolidine, 3,4,4-trimethyl-",75673-43-7,62271,"3,4,4-trimethyl-1,3-oxazolidine",CC1(COCN1C)C,"InChI=1S/C6H13NO/c1-6(2)4-8-5-7(6)3/h4-5H2,1-3H3",VJMGCRKBPXGKAH-UHFFFAOYSA-N,C6H13NO,115.17,115.099714,0.6,12.5,90,0,0,2,0,8,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"4,4-DIMETHYLOXAZOLIDINE",051200-87-4,62010,"4,4-dimethyl-1,3-oxazolidine",CC1(COCN1)C,"InChI=1S/C5H11NO/c1-5(2)3-7-4-6-5/h6H,3-4H2,1-2H3",GUQMDNQYMMRJPY-UHFFFAOYSA-N,C5H11NO,101.15,101.084064,0.1,21.3,70,0,1,2,0,7,49 °C (120 °F) - closed cup,100.9 °C,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
3-CHLORO-4-(DICHLOROMETHYL)-5-HYDROXY-2(5H)-FURANONE [MX],077439-76-0,53665,4-chloro-3-(dichloromethyl)-2-hydroxy-2H-furan-5-one,C1(C(=C(C(=O)O1)Cl)C(Cl)Cl)O,"InChI=1S/C5H3Cl3O3/c6-2-1(3(7)8)4(9)11-5(2)10/h3-4,9H",WNTRMRXAGJOLCU-UHFFFAOYSA-N,C5H3Cl3O3,217.43,215.914777,1.2,46.5,223,0,1,3,1,11,,,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"2(5H)-FURANONE, 5-ETHYL-3-HYDROXY-4-METHYL-",000698-10-2,61199,2-ethyl-4-hydroxy-3-methyl-2H-furan-5-one,CCC1C(=C(C(=O)O1)O)C,"InChI=1S/C7H10O3/c1-3-5-4(2)6(8)7(9)10-5/h5,8H,3H2,1-2H3",IUFQZPBIRYFPFD-UHFFFAOYSA-N,C7H10O3,142.15,142.0629942,0.9,46.5,193,0,1,3,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
D-ISOASCORBIC ACID,000089-65-6,54675810,"(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one",C([C@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O,"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5-/m1/s1",CIWBSHSKHKDKBQ-DUZGATOHSA-N,C6H8O6,176.12,176.032088,-1.6,107,232,0,4,6,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-O-PALMITOYL-L-ASCORBIC ACID,000137-66-6,54680660,"[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] hexadecanoate",CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O,"InChI=1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,21,23,25-26H,2-16H2,1H3/t17-,21+/m0/s1",QAQJMLQRFWZOBN-LAUBAEHRSA-N,C22H38O7,414.5,414.2617536,6.3,113,515,0,3,7,18,29,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"D-ERYTHRO-HEX-2-ENONIC ACID, .GAMMA.-LACTONE, SODIUM SALT",007378-23-6,54702495,"sodium 2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethanolate",C(C(C1C(=C(C(=O)O1)O)O)O)[O-].[Na+],"InChI=1S/C6H7O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,8-10H,1H2;/q-1;+1",RBWSWDPRDBEWCR-UHFFFAOYSA-N,C6H7NaO6,198.11,198.0140322,,110,237,0,3,6,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2(5H)-Furanone, 5-ethyl-",2407-43-4,16997,2-ethyl-2H-furan-5-one,CCC1C=CC(=O)O1,"InChI=1S/C6H8O2/c1-2-5-3-4-6(7)8-5/h3-5H,2H2,1H3",GOUILHYTHSOMQJ-UHFFFAOYSA-N,C6H8O2,112.13,112.0524295,1.1,26.3,126,0,0,2,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(5H)-Furanone, 4-(chloromethyl)-",125973-99-1,119362,3-(chloromethyl)-2H-furan-5-one,C1C(=CC(=O)O1)CCl,"InChI=1S/C5H5ClO2/c6-2-4-1-5(7)8-3-4/h1H,2-3H2",CTCZZJWSQSZQPN-UHFFFAOYSA-N,C5H5ClO2,132.54,131.9978071,0.2,26.3,139,0,0,2,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Furoic acid, 2,5-dihydro-4-methyl-5-oxo-2-tridecyl-, l-",22800-25-5,89841,4-methyl-5-oxo-2-tridecyl-2H-furan-3-carboxylic acid,CCCCCCCCCCCCCC1C(=C(C(=O)O1)C)C(=O)O,"InChI=1S/C19H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-17(18(20)21)15(2)19(22)23-16/h16H,3-14H2,1-2H3,(H,20,21)",SLQVVNFTCYVCPB-UHFFFAOYSA-N,C19H32O4,324.5,324.2300595,6.5,63.6,412,0,1,4,13,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRICHLORO-S-TRIAZINETRIONE,000087-90-1,6909,"1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione",C1(=O)N(C(=O)N(C(=O)N1Cl)Cl)Cl,InChI=1S/C3Cl3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11,YRIZYWQGELRKNT-UHFFFAOYSA-N,C3Cl3N3O3,232.41,230.900524,1.2,60.9,202,0,0,3,0,12,> 250 °C (482 °F ) open cup,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
"1,3-DIBROMO-1,3,5-TRIAZINE-2,4,6(1H,3H,5H)TRIONE",015114-43-9,192912,"1,3-dibromo-1,3,5-triazinane-2,4,6-trione",C1(=O)NC(=O)N(C(=O)N1Br)Br,"InChI=1S/C3HBr2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)",HHBCEKAWSILOOP-UHFFFAOYSA-N,C3HBr2N3O3,286.87,286.83642,0.8,69.7,220,0,1,3,0,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-DICHLORO-1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE",002782-57-2,16726,"1,3-dichloro-1,3,5-triazinane-2,4,6-trione",C1(=O)NC(=O)N(C(=O)N1Cl)Cl,"InChI=1S/C3HCl2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)",CEJLBZWIKQJOAT-UHFFFAOYSA-N,C3HCl2N3O3,197.96,196.9394963,0.4,69.7,220,0,1,3,0,11,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
"1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE, 1,3,5-TRIS[3-(TRIMETHOXYSILYL)PROPYL]-",026115-70-8,117734,"1,3,5-tris(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione",CO[Si](CCCN1C(=O)N(C(=O)N(C1=O)CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(OC)OC,"InChI=1S/C21H45N3O12Si3/c1-28-37(29-2,30-3)16-10-13-22-19(25)23(14-11-17-38(31-4,32-5)33-6)21(27)24(20(22)26)15-12-18-39(34-7,35-8)36-9/h10-18H2,1-9H3",QWOVEJBDMKHZQK-UHFFFAOYSA-N,C21H45N3O12Si3,615.8,615.2311035,,144,636,0,0,12,21,39,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIALLYL ISOCYANURATE,001025-15-6,13931,"1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione",C=CCN1C(=O)N(C(=O)N(C1=O)CC=C)CC=C,"InChI=1S/C12H15N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h4-6H,1-3,7-9H2",KOMNUTZXSVSERR-UHFFFAOYSA-N,C12H15N3O3,249.27,249.1113414,1.3,60.9,331,0,0,3,6,18,"greater than 230 °F (NTP, 1992)","300 to 306 °F at 4 mmHg (NTP, 1992)",0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"1,3,5-TRIS(2-HYDROXYETHYL) CYANURIC ACID",000839-90-7,13286,"1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione",C(CO)N1C(=O)N(C(=O)N(C1=O)CCO)CCO,"InChI=1S/C9H15N3O6/c13-4-1-10-7(16)11(2-5-14)9(18)12(3-6-15)8(10)17/h13-15H,1-6H2",BPXVHIRIPLPOPT-UHFFFAOYSA-N,C9H15N3O6,261.23,261.0960852,-2.7,122,271,0,3,6,6,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CYANURIC ACID,000108-80-5,7956,"1,3,5-triazinane-2,4,6-trione",C1(=O)NC(=O)NC(=O)N1,"InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)",ZFSLODLOARCGLH-UHFFFAOYSA-N,C3H3N3O3,129.07,129.017441,-1.2,87.3,135,0,3,3,0,9,,"DECOMPOSES (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2,3-dibromopropyl)-",52434-90-9,103634,"1,3,5-tris(2,3-dibromopropyl)-1,3,5-triazinane-2,4,6-trione",C(C(CBr)Br)N1C(=O)N(C(=O)N(C1=O)CC(CBr)Br)CC(CBr)Br,"InChI=1S/C12H15Br6N3O3/c13-1-7(16)4-19-10(22)20(5-8(17)2-14)12(24)21(11(19)23)6-9(18)3-15/h7-9H,1-6H2",NZUPFZNVGSWLQC-UHFFFAOYSA-N,C12H15Br6N3O3,728.7,728.61522,4.1,60.9,392,0,0,3,9,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE, 1,3,5-TRIS(6-ISOCYANATOHEXYL)-",003779-63-3,77411,"1,3,5-tris(6-isocyanatohexyl)-1,3,5-triazinane-2,4,6-trione",C(CCCN1C(=O)N(C(=O)N(C1=O)CCCCCCN=C=O)CCCCCCN=C=O)CCN=C=O,InChI=1S/C24H36N6O6/c31-19-25-13-7-1-4-10-16-28-22(34)29(17-11-5-2-8-14-26-20-32)24(36)30(23(28)35)18-12-6-3-9-15-27-21-33/h1-18H2,KCZQSKKNAGZQSZ-UHFFFAOYSA-N,C24H36N6O6,504.6,504.2696329,6,149,713,0,0,9,21,36,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1
"s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-diallyl-",6294-79-7,94974,"1,3-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione",C=CCN1C(=O)NC(=O)N(C1=O)CC=C,"InChI=1S/C9H11N3O3/c1-3-5-11-7(13)10-8(14)12(6-4-2)9(11)15/h3-4H,1-2,5-6H2,(H,10,13,14)",UCBVELLBUAKUNE-UHFFFAOYSA-N,C9H11N3O3,209.2,209.0800412,0.5,69.7,307,0,1,3,4,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
N-ETHYLMALEIMIDE,000128-53-0,4362,"1-ethylpyrrole-2,5-dione",CCN1C(=O)C=CC1=O,"InChI=1S/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H3",HDFGOPSGAURCEO-UHFFFAOYSA-N,C6H7NO2,125.13,125.0476785,0.9,37.4,165,0,0,2,1,9,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"Maleimide, 2,3-dichloro-N-methyl-",001123-61-1,14293,"3,4-dichloro-1-methylpyrrole-2,5-dione",CN1C(=O)C(=C(C1=O)Cl)Cl,InChI=1S/C5H3Cl2NO2/c1-8-4(9)2(6)3(7)5(8)10/h1H3,PYOLPWAVSYVLMM-UHFFFAOYSA-N,C5H3Cl2NO2,179.99,178.9540837,1.2,37.4,222,0,0,2,0,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
N-METHYLMALEIMIDE,000930-88-1,70261,"1-methylpyrrole-2,5-dione",CN1C(=O)C=CC1=O,"InChI=1S/C5H5NO2/c1-6-4(7)2-3-5(6)8/h2-3H,1H3",SEEYREPSKCQBBF-UHFFFAOYSA-N,C5H5NO2,111.1,111.0320284,-0.5,37.4,153,0,0,2,0,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"Maleimide, dichloro-",001193-54-0,14513,"3,4-dichloropyrrole-2,5-dione",C1(=C(C(=O)NC1=O)Cl)Cl,"InChI=1S/C4HCl2NO2/c5-1-2(6)4(9)7-3(1)8/h(H,7,8,9)",KVBAKSQRUXXHCK-UHFFFAOYSA-N,C4HCl2NO2,165.96,164.9384337,1,46.2,199,0,1,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Maleimide, 2,3-dichloro-N-ethyl-",020198-77-0,30000,"3,4-dichloro-1-ethylpyrrole-2,5-dione",CCN1C(=O)C(=C(C1=O)Cl)Cl,"InChI=1S/C6H5Cl2NO2/c1-2-9-5(10)3(7)4(8)6(9)11/h2H2,1H3",UNOAAQSLIJPNKG-UHFFFAOYSA-N,C6H5Cl2NO2,194.01,192.9697338,1.5,37.4,235,0,0,2,1,11,,,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0
"3-Pyrrolinecarboxamide, 2,5-dioxo-",3345-50-4,76868,"2,5-dioxopyrrole-1-carboxamide",C1=CC(=O)N(C1=O)C(=O)N,"InChI=1S/C5H4N2O3/c6-5(10)7-3(8)1-2-4(7)9/h1-2H,(H2,6,10)",BNPFHEFZJPVCCE-UHFFFAOYSA-N,C5H4N2O3,140.1,140.022192,-0.8,80.5,225,0,1,3,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Maleimide, N-ethyl-2-methyl-",31217-72-8,35753,"1-ethyl-3-methylpyrrole-2,5-dione",CCN1C(=O)C=C(C1=O)C,"InChI=1S/C7H9NO2/c1-3-8-6(9)4-5(2)7(8)10/h4H,3H2,1-2H3",NKHIHGVHWGKXMQ-UHFFFAOYSA-N,C7H9NO2,139.15,139.0633285,0.8,37.4,218,0,0,2,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
MALEIMIDE,000541-59-3,10935,"pyrrole-2,5-dione",C1=CC(=O)NC1=O,"InChI=1S/C4H3NO2/c6-3-1-2-4(7)5-3/h1-2H,(H,5,6,7)",PEEHTFAAVSWFBL-UHFFFAOYSA-N,C4H3NO2,97.07,97.01637834,-0.3,46.2,132,0,1,2,0,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"Maleimide, dibromo-",001122-10-7,14279,"3,4-dibromopyrrole-2,5-dione",C1(=C(C(=O)NC1=O)Br)Br,"InChI=1S/C4HBr2NO2/c5-1-2(6)4(9)7-3(1)8/h(H,7,8,9)",BIKSKRPHKQWJCW-UHFFFAOYSA-N,C4HBr2NO2,254.86,254.83535,1.1,46.2,199,0,1,2,0,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
ENDOTHION,002778-04-3,17717,2-(dimethoxyphosphorylsulfanylmethyl)-5-methoxypyran-4-one,COC1=COC(=CC1=O)CSP(=O)(OC)OC,"InChI=1S/C9H13O6PS/c1-12-9-5-15-7(4-8(9)10)6-17-16(11,13-2)14-3/h4-5H,6H2,1-3H3",YCAGGFXSFQFVQL-UHFFFAOYSA-N,C9H13O6PS,280.24,280.0170463,-0.2,96.4,394,0,0,7,6,17,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-PYRAN-4-ONE, 2-(CHLOROMETHYL)-5-HYDROXY-",007559-81-1,82051,2-(chloromethyl)-5-hydroxypyran-4-one,C1=C(OC=C(C1=O)O)CCl,"InChI=1S/C6H5ClO3/c7-2-4-1-5(8)6(9)3-10-4/h1,3,9H,2H2",WSVIQCQIJLDTEK-UHFFFAOYSA-N,C6H5ClO3,160.55,159.9927217,0.4,46.5,217,0,1,3,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
3-HYDROXY-2-METHYL-4-PYRONE,000118-71-8,8369,3-hydroxy-2-methylpyran-4-one,CC1=C(C(=O)C=CO1)O,"InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3",XPCTZQVDEJYUGT-UHFFFAOYSA-N,C6H6O3,126.11,126.031694,0.4,46.5,200,0,1,3,0,9,,"199 °F at 760 mmHg (Sublimes) (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-PYRAN-2-CARBOXYLIC ACID, 5-HYDROXY-4-OXO-",000499-78-5,68139,5-hydroxy-4-oxopyran-2-carboxylic acid,C1=C(OC=C(C1=O)O)C(=O)O,"InChI=1S/C6H4O5/c7-3-1-5(6(9)10)11-2-4(3)8/h1-2,8H,(H,9,10)",UUUICOMMFFTCHS-UHFFFAOYSA-N,C6H4O5,156.09,156.0058732,-0.3,83.8,273,0,2,5,1,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-PYRAN-4-ONE, 2-ETHYL-3-HYDROXY-",004940-11-8,21059,2-ethyl-3-hydroxypyran-4-one,CCC1=C(C(=O)C=CO1)O,"InChI=1S/C7H8O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,9H,2H2,1H3",YIKYNHJUKRTCJL-UHFFFAOYSA-N,C7H8O3,140.14,140.0473441,0.8,46.5,213,0,1,3,1,10,,289.00 to 290.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Chelidonic Acid,000099-32-1,7431,"4-oxopyran-2,6-dicarboxylic acid",C1=C(OC(=CC1=O)C(=O)O)C(=O)O,"InChI=1S/C7H4O6/c8-3-1-4(6(9)10)13-5(2-3)7(11)12/h1-2H,(H,9,10)(H,11,12)",PBAYDYUZOSNJGU-UHFFFAOYSA-N,C7H4O6,184.1,184.0007878,-0.4,101,316,0,2,6,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANOIC ACID, 2-METHYL-, 2-METHYL-4-OXO-4H-PYRAN-3-YL ESTER",065416-14-0,3354132,(2-methyl-4-oxopyran-3-yl) 2-methylpropanoate,CC1=C(C(=O)C=CO1)OC(=O)C(C)C,"InChI=1S/C10H12O4/c1-6(2)10(12)14-9-7(3)13-5-4-8(9)11/h4-6H,1-3H3",VSBHYRPUJHEOBE-UHFFFAOYSA-N,C10H12O4,196.2,196.0735589,1.5,52.6,323,0,0,4,3,14,,176.00 °C. @ 7.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"4H-Pyran-4-one, 2,6-dimethyl-",1004-36-0,13862,"2,6-dimethylpyran-4-one",CC1=CC(=O)C=C(O1)C,"InChI=1S/C7H8O2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3",VSYFZULSKMFUJJ-UHFFFAOYSA-N,C7H8O2,124.14,124.0524295,0.1,26.3,179,0,0,2,0,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-Pyran-4-one, 5-hydroxy-2-(hydroxymethyl)-, manganese(2+) complex",,7968,pyran-4-one,C1=COC=CC1=O,InChI=1S/C5H4O2/c6-5-1-3-7-4-2-5/h1-4H,CVQUWLDCFXOXEN-UHFFFAOYSA-N,C5H4O2,96.08,96.02112937,0.1,26.3,119,0,0,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 4-[(4-AMINOCYCLOHEXYL)METHYL]-",028480-77-5,119969,4-[(4-aminocyclohexyl)methyl]aniline,C1CC(CCC1CC2=CC=C(C=C2)N)N,"InChI=1S/C13H20N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-2,5-6,11,13H,3-4,7-9,14-15H2",NRVOGWCXEOJNFS-UHFFFAOYSA-N,C13H20N2,204.31,204.1626486,2.1,52,177,0,2,2,2,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"Cyclohexaneglycolic acid, alpha-phenyl-, 4-(diethylamino)-2-butynyl ester, hyd",001508-65-2,91505,4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate;hydrochloride,CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.Cl,"InChI=1S/C22H31NO3.ClH/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20;/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3;1H",SWIJYDAEGSIQPZ-UHFFFAOYSA-N,C22H32ClNO3,393.9,393.2070716,,49.8,490,0,2,4,8,27,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,1
"Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-phenylcyclohexaneglycolate",50-10-2,5748,2-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxyethyl-diethyl-methylazanium bromide,CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.[Br-],"InChI=1S/C21H34NO3.BrH/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3;1H/q+1;/p-1",UKLQXHUGTKWPSR-UHFFFAOYSA-M,C21H34BrNO3,428.4,427.17221,,46.5,409,0,1,4,9,26,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclohexaneacetic acid, alpha-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride",548-66-3,92806,2-(diethylamino)ethyl 2-cyclohexyl-2-phenylacetate;hydrochloride,CCN(CC)CCOC(=O)C(C1CCCCC1)C2=CC=CC=C2.Cl,"InChI=1S/C20H31NO2.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5,7-8,11-12,18-19H,3-4,6,9-10,13-16H2,1-2H3;1H",WIELVDXKOYPANK-UHFFFAOYSA-N,C20H32ClNO2,353.9,353.212157,,29.5,329,0,1,3,9,24,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Methanol, cyclohexylphenyl-",945-49-3,95668,cyclohexyl(phenyl)methanol,C1CCC(CC1)C(C2=CC=CC=C2)O,"InChI=1S/C13H18O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12-14H,2,5-6,9-10H2",QDYKZBKCLHBUHU-UHFFFAOYSA-N,C13H18O,190.28,190.1357652,3.4,20.2,155,0,1,1,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexaneglycolic acid, alpha-phenyl-",4335-77-7,97700,2-cyclohexyl-2-hydroxy-2-phenylacetic acid,C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)O)O,"InChI=1S/C14H18O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12,17H,2,5-6,9-10H2,(H,15,16)",YTRNSQPXEDGWMR-UHFFFAOYSA-N,C14H18O3,234.29,234.1255944,3,57.5,265,0,2,3,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexanol, 1-(2-(dimethylamino)-1-(4-methoxyphenyl)ethyl)-",93413-69-5,5656,1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol,CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O,"InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3",PNVNVHUZROJLTJ-UHFFFAOYSA-N,C17H27NO2,277.4,277.2041791,2.9,32.7,279,0,1,3,5,20,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
"Cyclohexanol, 1-(2-(dimethylamino)-1-(4-methoxyphenyl)ethyl)-, hydrochloride",99300-78-4,62923,1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride,CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O.Cl,"InChI=1S/C17H27NO2.ClH/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14;/h7-10,16,19H,4-6,11-13H2,1-3H3;1H",QYRYFNHXARDNFZ-UHFFFAOYSA-N,C17H28ClNO2,313.9,313.1808568,,32.7,279,0,2,3,5,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 4-(diethylamino)-2-butynyl ester",5633-20-5,4634,4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate,CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O,"InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3",XIQVNETUBQGFHX-UHFFFAOYSA-N,C22H31NO3,357.5,357.2303939,4.2,49.8,490,0,1,4,8,26,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexylamine, 1-benzyl-, hydrochloride",20937-30-8,210086,1-benzylcyclohexan-1-amine;hydrochloride,C1CCC(CC1)(CC2=CC=CC=C2)N.Cl,"InChI=1S/C13H19N.ClH/c14-13(9-5-2-6-10-13)11-12-7-3-1-4-8-12;/h1,3-4,7-8H,2,5-6,9-11,14H2;1H",SLBXACMFLSXZEG-UHFFFAOYSA-N,C13H20ClN,225.76,225.1284273,,26,164,0,2,1,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)-",93413-62-8,125017,4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol,CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O,"InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3",KYYIDSXMWOZKMP-UHFFFAOYSA-N,C16H25NO2,263.37,263.188529,2.6,43.7,266,0,2,3,4,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)-, butanedioate",386750-22-7,6918664,butanedioic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate,CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.C(CC(=O)O)C(=O)O.O,"InChI=1S/C16H25NO2.C4H6O4.H2O/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;5-3(6)1-2-4(7)8;/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-2H2,(H,5,6)(H,7,8);1H2",PWPDEXVGKDEKTE-UHFFFAOYSA-N,C20H33NO7,399.5,399.2257024,,119,359,0,5,8,7,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"LEUPROLIDE ACETATE (FEMALE, MALE)",074381-53-6,657180,acetic acid;(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide,CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6.CC(=O)O,"InChI=1S/C59H84N16O12.C2H4O2/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40;1-2(3)4/h7-8,11-12,15-18,28-29,31-33,40-48,65,76-77H,6,9-10,13-14,19-27,30H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)(H4,60,61,64);1H3,(H,3,4)/t40-,41-,42-,43+,44-,45-,46-,47-,48-;/m0./s1",RGLRXNKKBLIBQS-XNHQSDQCSA-N,C61H88N16O14,1269.4,1268.666592,,469,2420,0,16,16,32,91,,,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0
"LUTEINIZING HORMONE RELEASING HORMONE, DIACETATE (SALT)",071447-49-9,56841073,acetic acid;(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide,CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6.CC(=O)O.CC(=O)O,"InChI=1S/C55H75N17O13.2C2H4O2/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36;2*1-2(3)4/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60);2*1H3,(H,3,4)/t36-,37-,38-,39-,40-,41-,42-,43-;;/m0../s1",QOVPLTBEZAJSHY-VIRDRFNDSA-N,C59H83N17O17,1302.4,1301.615284,,549,2420,0,18,19,31,93,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
(GLY-OH10)-LUTEINIZING HORMONE RELEASING HORMONE,035263-73-1,3081473,2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]acetic acid,CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)NC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6,"InChI=1S/C55H74N16O14/c1-29(2)19-38(49(80)66-37(9-5-17-59-55(56)57)54(85)71-18-6-10-43(71)53(84)62-26-46(76)77)65-45(75)25-61-47(78)39(20-30-11-13-33(73)14-12-30)67-52(83)42(27-72)70-50(81)40(21-31-23-60-35-8-4-3-7-34(31)35)68-51(82)41(22-32-24-58-28-63-32)69-48(79)36-15-16-44(74)64-36/h3-4,7-8,11-14,23-24,28-29,36-43,60,72-73H,5-6,9-10,15-22,25-27H2,1-2H3,(H,58,63)(H,61,78)(H,62,84)(H,64,74)(H,65,75)(H,66,80)(H,67,83)(H,68,82)(H,69,79)(H,70,81)(H,76,77)(H4,56,57,59)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1",IGACZQNUZMBGFX-AQJXLSMYSA-N,C55H74N16O14,1183.3,1182.557041,-1.8,469,2390,0,16,16,31,85,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Luteinizing hormone-releasing hormone, (D-ala(sup 6))-",051230-19-4,3081500,(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide,C[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6,"InChI=1S/C56H77N17O13/c1-29(2)20-39(50(81)67-38(10-6-18-61-56(58)59)55(86)73-19-7-11-44(73)54(85)63-26-45(57)76)68-47(78)30(3)65-49(80)40(21-31-12-14-34(75)15-13-31)69-53(84)43(27-74)72-51(82)41(22-32-24-62-36-9-5-4-8-35(32)36)70-52(83)42(23-33-25-60-28-64-33)71-48(79)37-16-17-46(77)66-37/h4-5,8-9,12-15,24-25,28-30,37-44,62,74-75H,6-7,10-11,16-23,26-27H2,1-3H3,(H2,57,76)(H,60,64)(H,63,85)(H,65,80)(H,66,77)(H,67,81)(H,68,78)(H,69,84)(H,70,83)(H,71,79)(H,72,82)(H4,58,59,61)/t30-,37+,38+,39+,40+,41+,42+,43+,44+/m1/s1",SESQMDHICVIJCF-PCMWHEESSA-N,C56H77N17O13,1196.3,1195.588676,-2,475,2420,0,16,15,31,86,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Luteinizing hormone-releasing factor (pig), 6-D-alanine-9-N-ethyl-L-prolinamid",052435-06-0,5484741,N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide,CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)C6CCC(=O)N6,"InChI=1S/C56H78N16O12/c1-5-60-54(83)45-13-9-21-72(45)55(84)39(12-8-20-61-56(57)58)66-50(79)40(22-30(2)3)67-47(76)31(4)64-49(78)41(23-32-14-16-35(74)17-15-32)68-53(82)44(28-73)71-51(80)42(24-33-26-62-37-11-7-6-10-36(33)37)69-52(81)43(25-34-27-59-29-63-34)70-48(77)38-18-19-46(75)65-38/h6-7,10-11,14-17,26-27,29-31,38-45,62,73-74H,5,8-9,12-13,18-25,28H2,1-4H3,(H,59,63)(H,60,83)(H,64,78)(H,65,75)(H,66,79)(H,67,76)(H,68,82)(H,69,81)(H,70,77)(H,71,80)(H4,57,58,61)/t31-,38?,39+,40+,41+,42+,43+,44?,45+/m1/s1",QLGKMLRGKPKGKI-MUVLZESKSA-N,C56H78N16O12,1167.3,1166.598512,-0.6,432,2320,0,15,14,30,84,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Luteinizing hormone-releasing hormone (pig), 6-D-leucine-9-(N-ethyl-L-prolinam",053714-56-0,657181,(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide,CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6,"InChI=1S/C59H84N16O12/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40/h7-8,11-12,15-18,28-29,31-33,40-48,65,76-77H,6,9-10,13-14,19-27,30H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)(H4,60,61,64)/t40-,41-,42-,43+,44-,45-,46-,47-,48-/m0/s1",GFIJNRVAKGFPGQ-LIJARHBVSA-N,C59H84N16O12,1209.4,1208.645462,0.7,432,2390,0,15,14,32,87,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Luteinizing hormone - releasing factor (swine), 6-(D-alanyl)-9-(N-ethyl-L-prolinamide)-10-deglycinamide-",79561-22-1,11979778,acetic acid;N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide,CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)C6CCC(=O)N6.CC(=O)O.CC(=O)O,"InChI=1S/C56H78N16O12.2C2H4O2/c1-5-60-54(83)45-13-9-21-72(45)55(84)39(12-8-20-61-56(57)58)66-50(79)40(22-30(2)3)67-47(76)31(4)64-49(78)41(23-32-14-16-35(74)17-15-32)68-53(82)44(28-73)71-51(80)42(24-33-26-62-37-11-7-6-10-36(33)37)69-52(81)43(25-34-27-59-29-63-34)70-48(77)38-18-19-46(75)65-38;2*1-2(3)4/h6-7,10-11,14-17,26-27,29-31,38-45,62,73-74H,5,8-9,12-13,18-25,28H2,1-4H3,(H,59,63)(H,60,83)(H,64,78)(H,65,75)(H,66,79)(H,67,76)(H,68,82)(H,69,81)(H,70,77)(H,71,80)(H4,57,58,61);2*1H3,(H,3,4)/t31-,38?,39+,40+,41+,42+,43+,44+,45+;;/m1../s1",DPWSRXJWCYEGIV-CWMZTGDLSA-N,C60H86N16O16,1287.4,1286.640771,,506,2350,0,17,18,30,92,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Luteinizing hormone-releasing factor (swine), 6-D-lysine-",,11137010,(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-6-amino-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide,CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6,"InChI=1S/C59H84N18O13/c1-32(2)23-42(52(84)71-41(12-7-21-65-59(62)63)58(90)77-22-8-13-47(77)57(89)67-29-48(61)80)72-50(82)39(11-5-6-20-60)70-53(85)43(24-33-14-16-36(79)17-15-33)73-56(88)46(30-78)76-54(86)44(25-34-27-66-38-10-4-3-9-37(34)38)74-55(87)45(26-35-28-64-31-68-35)75-51(83)40-18-19-49(81)69-40/h3-4,9-10,14-17,27-28,31-32,39-47,66,78-79H,5-8,11-13,18-26,29-30,60H2,1-2H3,(H2,61,80)(H,64,68)(H,67,89)(H,69,81)(H,70,85)(H,71,84)(H,72,82)(H,73,88)(H,74,87)(H,75,83)(H,76,86)(H4,62,63,65)/t39-,40+,41+,42+,43+,44+,45+,46+,47+/m1/s1",HOWBSMILMYIFKQ-OBCLEYQXSA-N,C59H84N18O13,1253.4,1252.646525,-2.2,501,2500,0,17,16,35,90,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Luteinizing hormone-releasing hormone (pig), 6-(O-(1,1-dimethylethyl)-D-serine",057982-77-1,50225,(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide,CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6,"InChI=1S/C60H86N16O13/c1-7-64-57(87)48-15-11-23-76(48)58(88)41(14-10-22-65-59(61)62)69-51(81)42(24-33(2)3)70-56(86)47(31-89-60(4,5)6)75-52(82)43(25-34-16-18-37(78)19-17-34)71-55(85)46(30-77)74-53(83)44(26-35-28-66-39-13-9-8-12-38(35)39)72-54(84)45(27-36-29-63-32-67-36)73-50(80)40-20-21-49(79)68-40/h8-9,12-13,16-19,28-29,32-33,40-48,66,77-78H,7,10-11,14-15,20-27,30-31H2,1-6H3,(H,63,67)(H,64,87)(H,68,79)(H,69,81)(H,70,86)(H,71,85)(H,72,84)(H,73,80)(H,74,83)(H,75,82)(H4,61,62,65)/t40-,41-,42-,43-,44-,45-,46-,47+,48-/m0/s1",CUWODFFVMXJOKD-UVLQAERKSA-N,C60H86N16O13,1239.4,1238.656027,-0.1,441,2450,0,15,15,33,89,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"GOSERELIN ACETATE (FEMALE, MALE)",065807-02-5,5311128,(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(carbamoylamino)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide,CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NNC(=O)N)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6,"InChI=1S/C59H84N18O14/c1-31(2)22-40(49(82)68-39(12-8-20-64-57(60)61)56(89)77-21-9-13-46(77)55(88)75-76-58(62)90)69-54(87)45(29-91-59(3,4)5)74-50(83)41(23-32-14-16-35(79)17-15-32)70-53(86)44(28-78)73-51(84)42(24-33-26-65-37-11-7-6-10-36(33)37)71-52(85)43(25-34-27-63-30-66-34)72-48(81)38-18-19-47(80)67-38/h6-7,10-11,14-17,26-27,30-31,38-46,65,78-79H,8-9,12-13,18-25,28-29H2,1-5H3,(H,63,66)(H,67,80)(H,68,82)(H,69,87)(H,70,86)(H,71,85)(H,72,81)(H,73,84)(H,74,83)(H,75,88)(H4,60,61,64)(H3,62,76,90)/t38-,39-,40-,41-,42-,43-,44-,45+,46-/m0/s1",BLCLNMBMMGCOAS-URPVMXJPSA-N,C59H84N18O14,1269.4,1268.641439,-1.5,496,2560,0,17,16,32,91,,,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0
"BENZENESULFONIC ACID, 5-CHLORO-2-[(2-HYDROXY-1-NAPHTHALENYL)AZO]-4-METHYL-, BA",005160-02-1,21238,barium(2+);bis(5-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzenesulfonate),CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N=NC2=C(C=CC3=CC=CC=C32)O.CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N=NC2=C(C=CC3=CC=CC=C32)O.[Ba+2],"InChI=1S/2C17H13ClN2O4S.Ba/c2*1-10-8-14(16(9-13(10)18)25(22,23)24)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2",POJOORKDYOPQLS-UHFFFAOYSA-L,C34H24BaCl2N4O8S2,888.9,887.946509,,221,581,0,2,12,4,51,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 2-[(2-HYDROXY-1-NAPHTHALENYL)AZO]-, BARIUM SALT (2:1)",006372-81-2,135764943,barium(2+);bis(1-[(2-carboxyphenyl)diazenyl]naphthalen-2-olate),C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=CC=C3C(=O)O)[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=CC=C3C(=O)O)[O-].[Ba+2],"InChI=1S/2C17H12N2O3.Ba/c2*20-15-10-9-11-5-1-2-6-12(11)16(15)19-18-14-8-4-3-7-13(14)17(21)22;/h2*1-10,20H,(H,21,22);/q;;+2/p-2",HEQCHSSPWMWXBH-UHFFFAOYSA-L,C34H22BaN4O6,719.9,720.059181,,170,426,0,2,10,6,45,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"CHROMATE(1-), BIS[N-[7-HYDROXY-8-[[2-HYDROXY-5-[(METHYLAMINO)SULFONYL]PHENYL]A",012218-95-0,82974,bis(8-acetamido-1-[[5-(methylsulfamoyl)-2-oxidophenyl]diazenyl]naphthalen-2-olate);chromium(3+);hydron,[H+].CC(=O)NC1=CC=CC2=C1C(=C(C=C2)[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)NC)[O-].CC(=O)NC1=CC=CC2=C1C(=C(C=C2)[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)NC)[O-].[Cr+3],"InChI=1S/2C19H18N4O5S.Cr/c2*1-11(24)21-14-5-3-4-12-6-8-17(26)19(18(12)14)23-22-15-10-13(7-9-16(15)25)29(27,28)20-2;/h2*3-10,20,25-26H,1-2H3,(H,21,24);/q;;+3/p-3",XPUNXSYBPVFQCG-UHFFFAOYSA-K,C38H33CrN8O10S2,877.8,877.116611,,309,710,0,5,16,10,59,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"CHROMATE(1-), BIS[METHYL [7-HYDROXY-8-[[2-HYDROXY-5-(METHYLSULFONYL)PHENYL]AZO",071839-85-5,136072383,sodium;chromium;bis(methyl N-[7-hydroxy-8-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]naphthalen-1-yl]carbamate),COC(=O)NC1=CC=CC2=C1C(=C(C=C2)O)N=NC3=C(C=CC(=C3)S(=O)(=O)C)O.COC(=O)NC1=CC=CC2=C1C(=C(C=C2)O)N=NC3=C(C=CC(=C3)S(=O)(=O)C)O.[Na+].[Cr],"InChI=1S/2C19H17N3O6S.Cr.Na/c2*1-28-19(25)20-13-5-3-4-11-6-8-16(24)18(17(11)13)22-21-14-10-12(29(2,26)27)7-9-15(14)23;;/h2*3-10,23-24H,1-2H3,(H,20,25);;/q;;;+1",MBTZSHZGFGCPMQ-UHFFFAOYSA-N,C38H34CrN6NaO12S2+,905.8,905.097887,,292,1550,1,6,16,6,60,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"COBALTATE(1-), BIS[4-HYDROXY-3-[(2-HYDROXY-1-NAPHTHALENYL)AZO]BENZENESULFONAMI",050525-57-0,170851,cobalt(3+);hydron;bis(1-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalen-2-olate),[H+].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)S(=O)(=O)N)[O-])[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)S(=O)(=O)N)[O-])[O-].[Co+3],"InChI=1S/2C16H13N3O4S.Co/c2*17-24(22,23)11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21;/h2*1-9,20-21H,(H2,17,22,23);/q;;+3/p-3",ALIFLTZAPABVDH-UHFFFAOYSA-K,C32H23CoN6O8S2,742.6,742.035073,,279,562,0,3,14,6,49,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"CHROMATE(1-), BIS[1-[(5-CHLORO-2-HYDROXYPHENYL)AZO]-2-NAPHTHALENOLATO(2-)]-, S",075199-03-0,136180111,sodium;bis(1-[(5-chloro-2-hydroxyphenyl)diazenyl]naphthalen-2-ol);chromium,C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)Cl)O)O.C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)Cl)O)O.[Na+].[Cr],"InChI=1S/2C16H11ClN2O2.Cr.Na/c2*17-11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21;;/h2*1-9,20-21H;;/q;;;+1",XSVFIGHBXLCAKR-UHFFFAOYSA-N,C32H22Cl2CrN4NaO4+,672.4,671.032085,,130,835,1,4,8,0,44,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CHROMATE(1-), BIS[4-HYDROXY-3-[(2-HYDROXY-1-NAPHTHALENYL)AZO]-N-(3-METHOXYPROP",071839-80-0,136180058,sodium;chromium;bis(4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]-N-(3-methoxypropyl)benzenesulfonamide),COCCCNS(=O)(=O)C1=CC(=C(C=C1)O)N=NC2=C(C=CC3=CC=CC=C32)O.COCCCNS(=O)(=O)C1=CC(=C(C=C1)O)N=NC2=C(C=CC3=CC=CC=C32)O.[Na+].[Cr],"InChI=1S/2C20H21N3O5S.Cr.Na/c2*1-28-12-4-11-21-29(26,27)15-8-10-18(24)17(13-15)22-23-20-16-6-3-2-5-14(16)7-9-19(20)25;;/h2*2-3,5-10,13,21,24-25H,4,11-12H2,1H3;;/q;;;+1",RBSGNSSRGMUINH-UHFFFAOYSA-N,C40H42CrN6NaO10S2+,905.9,905.170658,,258,1390,1,6,16,12,60,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"COBALTATE(1-), BIS[1-[(2-HYDROXY-5-NITROPHENYL)AZO]-2-NAPHTHALENOLATO(2-)]-, S",073297-09-3,138394074,sodium;cobalt;bis(1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol),C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)[N+](=O)[O-])O)O.C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)[N+](=O)[O-])O)O.[Na+].[Co],"InChI=1S/2C16H11N3O4.Co.Na/c2*20-14-8-6-11(19(22)23)9-13(14)17-18-16-12-4-2-1-3-10(12)5-7-15(16)21;;/h2*1-9,20-21H;;/q;;;+1",LVHDWEDHGRUAKE-UHFFFAOYSA-N,C32H22CoN6NaO8+,700.5,700.072874,,222,995,1,4,12,0,48,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"COBALTATE(2-), BIS[4-HYDROXY-3-[(2-HYDROXY-1-NAPHTHALENYL)AZO]BENZENESULFONAMI",071060-75-8,136125677,disodium;cobalt;bis(4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonamide),C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)S(=O)(=O)N)O)O.C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)S(=O)(=O)N)O)O.[Na+].[Na+].[Co],"InChI=1S/2C16H13N3O4S.Co.2Na/c2*17-24(22,23)11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21;;;/h2*1-9,20-21H,(H2,17,22,23);;;/q;;;2*+1",AUIWRJOGXZVWTM-UHFFFAOYSA-N,C32H26CoN6Na2O8S2+2,791.6,791.038086,,267,1230,2,6,14,2,51,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIS-(P-NITROPHENYL) PHOSPHATE,003871-20-3,77473,tris(4-nitrophenyl) phosphate,C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(OC2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)[N+](=O)[O-],"InChI=1S/C18H12N3O10P/c22-19(23)13-1-7-16(8-2-13)29-32(28,30-17-9-3-14(4-10-17)20(24)25)31-18-11-5-15(6-12-18)21(26)27/h1-12H",RZSPPBDBWOJRII-UHFFFAOYSA-N,C18H12N3O10P,461.3,461.0260306,4.1,182,617,0,0,10,6,32,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRI-M-TOLYL PHOSPHATE,000563-04-2,11232,tris(3-methylphenyl) phosphate,CC1=CC(=CC=C1)OP(=O)(OC2=CC=CC(=C2)C)OC3=CC=CC(=C3)C,"InChI=1S/C21H21O4P/c1-16-7-4-10-19(13-16)23-26(22,24-20-11-5-8-17(2)14-20)25-21-12-6-9-18(3)15-21/h4-15H,1-3H3",RMLPZKRPSQVRAB-UHFFFAOYSA-N,C21H21O4P,368.4,368.1177461,6.1,44.8,416,0,0,4,6,26,"410 °F (NTP, 1992)","500 °F at 15 mmHg (NTP, 1992)",1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
MONOCRESYL DIPHENYL PHOSPHATE,026444-49-5,520263,(2-methylphenyl) diphenyl phosphate,CC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3,"InChI=1S/C19H17O4P/c1-16-10-8-9-15-19(16)23-24(20,21-17-11-4-2-5-12-17)22-18-13-6-3-7-14-18/h2-15H,1H3",XMNDMAQKWSQVOV-UHFFFAOYSA-N,C19H17O4P,340.3,340.086446,5.3,44.8,392,0,0,4,6,24,450 °F (232 °C) (Closed cup),390 °C at 760 mm Hg,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHORIC ACID, TRIS(4-METHYLPHENYL) ESTER",000078-32-0,6529,tris(4-methylphenyl) phosphate,CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C,"InChI=1S/C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21/h4-15H,1-3H3",BOSMZFBHAYFUBJ-UHFFFAOYSA-N,C21H21O4P,368.4,368.1177461,5.1,44.8,392,0,0,4,6,26,"437 °F (NTP, 1992)","435 °F at 3.5 mmHg (NTP, 1992)",0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIXYLYL PHOSPHATE,025155-23-1,19736,"tris(2,4-dimethylphenyl) phosphate",CC1=CC(=C(C=C1)OP(=O)(OC2=C(C=C(C=C2)C)C)OC3=C(C=C(C=C3)C)C)C,"InChI=1S/C24H27O4P/c1-16-7-10-22(19(4)13-16)26-29(25,27-23-11-8-17(2)14-20(23)5)28-24-12-9-18(3)15-21(24)6/h7-15H,1-6H3",KOWVWXQNQNCRRS-UHFFFAOYSA-N,C24H27O4P,410.4,410.1646963,7.2,44.8,491,0,0,4,6,29,"450 °F (NTP, 1992)","469 to 509 °F at 10 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Phosphoric acid, tri-o-tolyl ester",000078-30-8,6527,tris(2-methylphenyl) phosphate,CC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2C)OC3=CC=CC=C3C,"InChI=1S/C21H21O4P/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h4-15H,1-3H3",YSMRWXYRXBRSND-UHFFFAOYSA-N,C21H21O4P,368.4,368.1177461,6.1,44.8,416,0,0,4,6,26,437 °F ( 225 °C) (Closed cup),410 °C,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1
"PHOSPHORIC ACID, BIS(METHYLPHENYL) PHENYL ESTER",026446-73-1,117798,(2-methylphenyl) (4-methylphenyl) phenyl phosphate,CC1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3C,"InChI=1S/C20H19O4P/c1-16-12-14-19(15-13-16)23-25(21,22-18-9-4-3-5-10-18)24-20-11-7-6-8-17(20)2/h3-15H,1-2H3",DAZHWGHCARQALS-UHFFFAOYSA-N,C20H19O4P,354.3,354.1020961,5.7,44.8,441,0,0,4,6,25,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-CYCLOHEXADIENE",000592-57-4,11605,"cyclohexa-1,3-diene",C1CC=CC=C1,"InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2",MGNZXYYWBUKAII-UHFFFAOYSA-N,C6H8,80.13,80.06260026,2.5,0,66,0,0,0,0,6,26 °C c.c.,81 °C,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
"1-METHOXY-1,3-CYCLOHEXADIENE",002161-90-2,75098,"1-methoxycyclohexa-1,3-diene",COC1=CC=CCC1,"InChI=1S/C7H10O/c1-8-7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3",LNRUJSUKKBJFOM-UHFFFAOYSA-N,C7H10O,110.15,110.0731649,1.9,9.2,122,0,0,1,1,8,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
R(-)-ALPHA-PHELLANDRENE,004221-98-1,442482,"(5R)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene",CC1=CC[C@@H](C=C1)C(C)C,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1",OGLDWXZKYODSOB-SNVBAGLBSA-N,C10H16,136.23,136.1252005,3.2,0,161,0,0,0,1,10,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0
ALPHA-PHELLANDRENE,000099-83-2,7460,"2-methyl-5-propan-2-ylcyclohexa-1,3-diene",CC1=CCC(C=C1)C(C)C,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3",OGLDWXZKYODSOB-UHFFFAOYSA-N,C10H16,136.23,136.1252005,3.2,0,161,0,0,0,1,10,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
CHORISMIC ACID,000617-12-9,12039,"(3R,4R)-3-(1-carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid",C=C(C(=O)O)O[C@@H]1C=C(C=C[C@H]1O)C(=O)O,"InChI=1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1",WTFXTQVDAKGDEY-HTQZYQBOSA-N,C10H10O6,226.18,226.047738,0.2,104,392,0,3,6,4,16,,,0,1,1,1,0,1,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-",023696-85-7,5366074,"(E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one",C/C=C/C(=O)C1=C(C=CCC1(C)C)C,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",POIARNZEYGURDG-FNORWQNLSA-N,C13H18O,190.28,190.1357652,3.2,17.1,327,0,0,1,2,14,,274.00 to 276.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
ALPHA-TERPINENE,000099-86-5,7462,"1-methyl-4-propan-2-ylcyclohexa-1,3-diene",CC1=CC=C(CC1)C(C)C,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3",YHQGMYUVUMAZJR-UHFFFAOYSA-N,C10H16,136.23,136.1252005,2.8,0,170,0,0,0,1,10,,173.00 to 175.00 °C. @ 760.00 mm Hg,0,0,0,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0
"1,3-CYCLOHEXADIENE, 1,3,5,5-TETRAMETHYL-",004724-89-4,78453,"1,3,5,5-tetramethylcyclohexa-1,3-diene",CC1=CC(=CC(C1)(C)C)C,"InChI=1S/C10H16/c1-8-5-9(2)7-10(3,4)6-8/h5-6H,7H2,1-4H3",SZHAWDAGEJWQJK-UHFFFAOYSA-N,C10H16,136.23,136.1252005,2.9,0,192,0,0,0,0,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,2,3,6-TETRAHYDROPYRIDINE",000694-05-3,12750,"1,2,3,6-tetrahydropyridine",C1CNCC=C1,"InChI=1S/C5H9N/c1-2-4-6-5-3-1/h1-2,6H,3-5H2",FTAHXMZRJCZXDL-UHFFFAOYSA-N,C5H9N,83.13,83.07349929,0.5,12,57,0,1,1,0,6,43 °C,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
CARBOXYLESTERASE,009016-18-6,9301,"methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide",CN1CCC=C(C1)C(=O)OC.Br,"InChI=1S/C8H13NO2.BrH/c1-9-5-3-4-7(6-9)8(10)11-2;/h4H,3,5-6H2,1-2H3;1H",AXOJRQLKMVSHHZ-UHFFFAOYSA-N,C8H14BrNO2,236.11,235.02079,,29.5,187,0,1,3,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ARECOLINE,000063-75-2,2230,"methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate",CN1CCC=C(C1)C(=O)OC,"InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3",HJJPJSXJAXAIPN-UHFFFAOYSA-N,C8H13NO2,155.19,155.0946287,0.3,29.5,187,0,0,3,2,11,,209.00 °C. @ 760.00 mm Hg,0,0,0,0,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,0
"Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-",499-04-7,10355,"1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid",CN1CCC=C(C1)C(=O)O,"InChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)",DNJFTXKSFAMXQF-UHFFFAOYSA-N,C7H11NO2,141.17,141.0789786,-2.3,40.5,174,0,1,3,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 1,2,3,6-tetrahydro-2,2,6,6-tetramethyl-, hydrochloride",1005-71-6,70501,"2,2,6,6-tetramethyl-1,3-dihydropyridine;hydrochloride",CC1(CC=CC(N1)(C)C)C.Cl,"InChI=1S/C9H17N.ClH/c1-8(2)6-5-7-9(3,4)10-8;/h5-6,10H,7H2,1-4H3;1H",AZVPCYQSAXQGNZ-UHFFFAOYSA-N,C9H18ClN,175.7,175.1127773,,12,154,0,2,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, hydrochloride",6018-28-6,12305194,"1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride",CN1CCC=C(C1)C(=O)O.Cl,"InChI=1S/C7H11NO2.ClH/c1-8-4-2-3-6(5-8)7(9)10;/h3H,2,4-5H2,1H3,(H,9,10);1H",PIVDNPNYIBGXPL-UHFFFAOYSA-N,C7H12ClNO2,177.63,177.0556563,,40.5,174,0,2,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, methyl ester, hydrochloride",6197-39-3,201540,"methyl 1,2,3,6-tetrahydropyridine-5-carboxylate;hydrochloride",COC(=O)C1=CCCNC1.Cl,"InChI=1S/C7H11NO2.ClH/c1-10-7(9)6-3-2-4-8-5-6;/h3,8H,2,4-5H2,1H3;1H",ZWALOEQHJRUTKM-UHFFFAOYSA-N,C7H12ClNO2,177.63,177.0556563,,38.3,163,0,2,3,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, ethyl ester, hydrochloride",18513-77-4,205700,"ethyl 1,2,3,6-tetrahydropyridine-5-carboxylate;hydrochloride",CCOC(=O)C1=CCCNC1.Cl,"InChI=1S/C8H13NO2.ClH/c1-2-11-8(10)7-4-3-5-9-6-7;/h4,9H,2-3,5-6H2,1H3;1H",MIRJGPRWVWWNQH-UHFFFAOYSA-N,C8H14ClNO2,191.65,191.0713064,,38.3,175,0,2,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 1,2,3,6-tetrahydro-1-nitroso-",55556-92-8,41470,"1-nitroso-3,6-dihydro-2H-pyridine",C1CN(CC=C1)N=O,"InChI=1S/C5H8N2O/c8-6-7-4-2-1-3-5-7/h1-2H,3-5H2",KIUHZRUPPGAVPY-UHFFFAOYSA-N,C5H8N2O,112.13,112.0636629,0.9,32.7,111,0,0,3,0,8,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Nicotinic acid, 1,2,5,6-tetrahydro-1-nitroso-, methyl ester",55557-02-3,62103,"methyl 1-nitroso-3,6-dihydro-2H-pyridine-5-carboxylate",COC(=O)C1=CCCN(C1)N=O,"InChI=1S/C7H10N2O3/c1-12-7(10)6-3-2-4-9(5-6)8-11/h3H,2,4-5H2,1H3",NXEUEKXJAAVKCT-UHFFFAOYSA-N,C7H10N2O3,170.17,170.0691422,0.5,59,225,0,0,5,2,12,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-",64603-90-3,3765,"1,2,3,6-tetrahydropyridine-4-carboxylic acid",C1CNCC=C1C(=O)O,"InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)",KRVDMABBKYMBHG-UHFFFAOYSA-N,C6H9NO2,127.14,127.0633285,-2.5,49.3,151,0,2,3,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-CYCLOPENTEN-1-0NE,000930-30-3,13588,cyclopent-2-en-1-one,C1CC(=O)C=C1,"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2",BZKFMUIJRXWWQK-UHFFFAOYSA-N,C5H6O,82.1,82.04186481,0.5,17.1,92,0,0,1,0,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
3-METHYL-2-CYCLOPENTEN-1-ONE,002758-18-1,17691,3-methylcyclopent-2-en-1-one,CC1=CC(=O)CC1,"InChI=1S/C6H8O/c1-5-2-3-6(7)4-5/h4H,2-3H2,1H3",CHCCBPDEADMNCI-UHFFFAOYSA-N,C6H8O,96.13,96.05751487,0.5,17.1,122,0,0,1,0,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"3-Cyclopentene-1-heptanoic acid, 2-(3-hydroxy-1-octenyl)-5-oxo-",014152-28-4,5281912,"7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanoic acid",CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)O)O,"InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+/m0/s1",BGKHCLZFGPIKKU-LDDQNKHRSA-N,C20H32O4,336.5,336.2300595,4.4,74.6,439,0,2,4,13,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
PROSTAGLANDIN A2,013345-50-1,5280880,"(Z)-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid",CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O,"InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+/m0/s1",MYHXHCUNDDAEOZ-FOSBLDSVSA-N,C20H30O4,334.4,334.2144094,3.6,74.6,476,0,2,4,12,24,,,0,1,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2-CYCLOPENTEN-1-ONE, 3-METHYL-2-(2-PENTENYL)-, (Z)-",000488-10-8,1549018,3-methyl-2-[(Z)-pent-2-enyl]cyclopent-2-en-1-one,CC/C=C\CC1=C(CCC1=O)C,"InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4-",XMLSXPIVAXONDL-PLNGDYQASA-N,C11H16O,164.24,164.1201151,2.2,17.1,233,0,0,1,3,12,107 °C (225 °F) - closed cup,285 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-CYCLOPENTEN-1-ONE, 2-PENTYL-",025564-22-1,117549,2-pentylcyclopent-2-en-1-one,CCCCCC1=CCCC1=O,"InChI=1S/C10H16O/c1-2-3-4-6-9-7-5-8-10(9)11/h7H,2-6,8H2,1H3",ILHZVKAXFCDFMT-UHFFFAOYSA-N,C10H16O,152.23,152.1201151,3,17.1,168,0,0,1,4,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-CYCLOPENTEN-1-ONE, 3-METHYL-2-PENTYL-",001128-08-1,62378,3-methyl-2-pentylcyclopent-2-en-1-one,CCCCCC1=C(CCC1=O)C,"InChI=1S/C11H18O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h3-8H2,1-2H3",YCIXWYOBMVNGTB-UHFFFAOYSA-N,C11H18O,166.26,166.1357652,2.9,17.1,201,0,0,1,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-CYCLOPENTEN-1-ONE, 2-METHYL-3-(2-PENTENYL)-",011050-62-7,61531,2-methyl-3-pent-2-enylcyclopent-2-en-1-one,CCC=CCC1=C(C(=O)CC1)C,"InChI=1S/C11H16O/c1-3-4-5-6-10-7-8-11(12)9(10)2/h4-5H,3,6-8H2,1-2H3",GVONPEQEUQYVNH-UHFFFAOYSA-N,C11H16O,164.24,164.1201151,2.2,17.1,233,0,0,1,3,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"2-Cyclopenten-1-one, 2,3,4,4,5,5-hexachloro-",2514-52-5,75643,"2,3,4,4,5,5-hexachlorocyclopent-2-en-1-one",C1(=C(C(C(C1=O)(Cl)Cl)(Cl)Cl)Cl)Cl,"InChI=1S/C5Cl6O/c6-1-2(7)4(8,9)5(10,11)3(1)12",QFIIFFRWCNYRLM-UHFFFAOYSA-N,C5Cl6O,288.8,287.805081,3.6,17.1,278,0,0,1,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-CYCLOPENTEN-1-ONE, 4-HYDROXY-3-METHYL-2-(2-PROPENYL)-, (.+-.)-",029605-88-7,11083,4-hydroxy-3-methyl-2-prop-2-enylcyclopent-2-en-1-one,CC1=C(C(=O)CC1O)CC=C,"InChI=1S/C9H12O2/c1-3-4-7-6(2)8(10)5-9(7)11/h3,8,10H,1,4-5H2,2H3",KZYVOZABVXLALY-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,0.4,37.3,226,0,1,2,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENEDIAZONIUM, 2,5-DIBUTOXY-4-(4-MORPHOLINYL)-, (T-4)-TETRACHLOROZINCATE(2-",014726-58-0,167157,"zinc;2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium;tetrachloride",CCCCOC1=CC(=C(C=C1[N+]#N)OCCCC)N2CCOCC2.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2],"InChI=1S/C18H28N3O3.4ClH.Zn/c1-3-5-9-23-17-14-16(21-7-11-22-12-8-21)18(13-15(17)20-19)24-10-6-4-2;;;;;/h13-14H,3-12H2,1-2H3;4*1H;/q+1;;;;;+2/p-4",LIJIWQBXGVZFML-UHFFFAOYSA-J,C18H28Cl4N3O3Zn-,541.6,540.014669,,59.1,392,-1,0,9,9,29,,,0,1,1,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
N-PHENYL MORPHOLINE,000092-53-5,62339,4-phenylmorpholine,C1COCCN1C2=CC=CC=C2,"InChI=1S/C10H13NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5H,6-9H2",FHQRDEDZJIFJAL-UHFFFAOYSA-N,C10H13NO,163.22,163.099714,1.4,12.5,126,0,0,2,1,12,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, 4-(4-MORPHOLINYL)-",002524-67-6,75655,4-morpholin-4-ylaniline,C1COCCN1C2=CC=C(C=C2)N,"InChI=1S/C10H14N2O/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12/h1-4H,5-8,11H2",PHNDZBFLOPIMSM-UHFFFAOYSA-N,C10H14N2O,178.23,178.1106131,0.7,38.5,149,0,1,3,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-DIBUTOXY-4-(4-MORPHOLINYL)BENZENE-DIAZONIUM TETRAFLUOROBORATE",050543-78-7,170854,"2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium tetrafluoroborate",[B-](F)(F)(F)F.CCCCOC1=CC(=C(C=C1[N+]#N)OCCCC)N2CCOCC2,"InChI=1S/C18H28N3O3.BF4/c1-3-5-9-23-17-14-16(21-7-11-22-12-8-21)18(13-15(17)20-19)24-10-6-4-2;2-1(3,4)5/h13-14H,3-12H2,1-2H3;/q+1;-1",KTLYRPBETGHXQC-UHFFFAOYSA-N,C18H28BF4N3O3,421.2,421.2159846,,59.1,411,0,0,10,9,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"MORPHOLINE, 4-(2,5-DIETHOXY-4-NITROPHENYL)-",000086-16-8,66571,"4-(2,5-diethoxy-4-nitrophenyl)morpholine",CCOC1=CC(=C(C=C1N2CCOCC2)OCC)[N+](=O)[O-],"InChI=1S/C14H20N2O5/c1-3-20-13-10-12(16(17)18)14(21-4-2)9-11(13)15-5-7-19-8-6-15/h9-10H,3-8H2,1-2H3",KNHGNICBXADRMC-UHFFFAOYSA-N,C14H20N2O5,296.32,296.1372217,2.2,76.8,330,0,0,6,5,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"MORPHOLINE, 4-(3-METHOXY-4-NITROPHENYL)-",006950-88-5,81388,4-(3-methoxy-4-nitrophenyl)morpholine,COC1=C(C=CC(=C1)N2CCOCC2)[N+](=O)[O-],"InChI=1S/C11H14N2O4/c1-16-11-8-9(2-3-10(11)13(14)15)12-4-6-17-7-5-12/h2-3,8H,4-7H2,1H3",YMXOMWAFFGHJFC-UHFFFAOYSA-N,C11H14N2O4,238.24,238.0953569,1.5,67.5,263,0,0,5,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"MORPHOLINE, 4-(4-NITROPHENYL)-",010389-51-2,25222,4-(4-nitrophenyl)morpholine,C1COCCN1C2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C10H12N2O3/c13-12(14)10-3-1-9(2-4-10)11-5-7-15-8-6-11/h1-4H,5-8H2",IAJDSUYFELYZCS-UHFFFAOYSA-N,C10H12N2O3,208.21,208.0847923,1.2,58.3,215,0,0,4,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"MORPHOLINE, 4-(2,5-DIBUTOXY-4-NITROPHENYL)-",000086-15-7,66570,"4-(2,5-dibutoxy-4-nitrophenyl)morpholine",CCCCOC1=CC(=C(C=C1N2CCOCC2)OCCCC)[N+](=O)[O-],"InChI=1S/C18H28N2O5/c1-3-5-9-24-17-14-16(20(21)22)18(25-10-6-4-2)13-15(17)19-7-11-23-12-8-19/h13-14H,3-12H2,1-2H3",MKVBADWWJFSRRK-UHFFFAOYSA-N,C18H28N2O5,352.4,352.199822,3.9,76.8,384,0,0,6,9,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Acetophenone, 4'-morpholino-",39910-98-0,38362,1-(4-morpholin-4-ylphenyl)ethanone,CC(=O)C1=CC=C(C=C1)N2CCOCC2,"InChI=1S/C12H15NO2/c1-10(14)11-2-4-12(5-3-11)13-6-8-15-9-7-13/h2-5H,6-9H2,1H3",AKQWEDMTPCAESO-UHFFFAOYSA-N,C12H15NO2,205.25,205.1102787,1,29.5,216,0,0,3,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DEMECOLCINE,000477-30-5,220401,"(7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one",CN[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC,"InChI=1S/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3/t15-/m0/s1",NNJPGOLRFBJNIW-HNNXBMFYSA-N,C21H25NO5,371.4,371.1732729,1.4,66,653,0,1,6,5,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
COLCHICINE,000064-86-8,6167,"N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide",CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC,"InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1",IAKHMKGGTNLKSZ-INIZCTEOSA-N,C22H25NO6,399.4,399.1681875,1,83.1,740,0,1,6,5,29,,,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Colchicine, N-deacetyl-10-thio-",002731-16-0,17649,"(7S)-7-amino-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one",COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)N)OC)OC,"InChI=1S/C20H23NO4S/c1-23-16-9-11-5-7-14(21)13-10-15(22)17(26-4)8-6-12(13)18(11)20(25-3)19(16)24-2/h6,8-10,14H,5,7,21H2,1-4H3/t14-/m0/s1",NUNCOHUMTCDISK-AWEZNQCLSA-N,C20H23NO4S,373.5,373.1347794,1.5,96.1,642,0,1,6,4,26,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
Colchiceine,477-27-0,234105,"N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide",CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)O)OC)OC)OC,"InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13-6-8-16(24)17(25)10-14(13)15/h6,8-10,15H,5,7H2,1-4H3,(H,22,23)(H,24,25)/t15-/m0/s1",PRGILOMAMBLWNG-HNNXBMFYSA-N,C21H23NO6,385.4,385.1525375,1.2,94.1,724,0,2,6,4,28,,,0,0,1,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0
"Colchicine, 3-O-demethyl-",7336-33-6,299664,"N-[(7S)-3-hydroxy-1,2,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide",CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)O,"InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-17(25)20(27-3)21(28-4)19(12)13-6-8-18(26-2)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1",JRRUSQGIRBEMRN-HNNXBMFYSA-N,C21H23NO6,385.4,385.1525375,0.7,94.1,724,0,2,6,4,28,,,0,0,1,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0
"Acetamide, N-(5,6,7,9-tetrahydro-1,2-dimethoxy-3-hydroxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-, (S)-",87424-25-7,84076,"N-[(7S)-3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide",CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)O,"InChI=1S/C21H23NO5S/c1-11(23)22-15-7-5-12-9-17(25)20(26-2)21(27-3)19(12)13-6-8-18(28-4)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1",PKYOHQGXPPVIGD-HNNXBMFYSA-N,C21H23NO5S,401.5,401.129694,1.4,110,728,0,2,6,4,28,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Colchicine, N-deacetyl-N-formyl-10-thio-",2731-23-9,17650,"N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide",COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)NC=O)OC)OC,"InChI=1S/C21H23NO5S/c1-25-17-9-12-5-7-15(22-11-23)14-10-16(24)18(28-4)8-6-13(14)19(12)21(27-3)20(17)26-2/h6,8-11,15H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1",QWMGUEXZTDFFTR-HNNXBMFYSA-N,C21H23NO5S,401.5,401.129694,1.8,99.2,701,0,1,6,5,28,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Colchicine, N-deacetyl-N-formyl-",12/3/11,23890,"N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide",COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC=O,"InChI=1S/C21H23NO6/c1-25-17-8-6-13-14(10-16(17)24)15(22-11-23)7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13/h6,8-11,15H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1",HDSXDWASQCHADG-HNNXBMFYSA-N,C21H23NO6,385.4,385.1525375,1,83.1,697,0,1,6,5,28,,,0,0,1,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0
OXYMORPHONE (NUMORPHAN),000076-41-5,5284604,"(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one",CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O,"InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1",UQCNKQCJZOAFTQ-ISWURRPUSA-N,C17H19NO4,301.34,301.1314081,0.8,70,539,0,2,5,0,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
HYDROMORPHONE HYDROCHLORIDE (DILAUDID),000071-68-1,5462347,"(4R,4aR,7aR,12bS)-9-hydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(=O)CC4.Cl,"InChI=1S/C17H19NO3.ClH/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;/h2,4,10-11,16,19H,3,5-8H2,1H3;1H/t10-,11+,16-,17-;/m0./s1",XHILEZUETWRSHC-NRGUFEMZSA-N,C17H20ClNO3,321.8,321.1131712,,49.8,494,0,2,4,0,22,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,1,0,1
"Morphinan-6-one, 3,14-dihydroxy-4,5-alpha-epoxy-17-methyl-, hydrochloride",000357-07-3,5359390,"(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride",CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O.Cl,"InChI=1S/C17H19NO4.ClH/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9;/h2-3,12,15,19,21H,4-8H2,1H3;1H/t12-,15+,16+,17-;/m1./s1",BCGJBQBWUGVESK-KCTCKCTRSA-N,C17H20ClNO4,337.8,337.1080858,,70,539,0,3,5,0,23,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,1,0,1,1,0,0
"Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, hydrochloride, (5-",000357-08-4,5464092,"(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride",C=CCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O.Cl,"InChI=1S/C19H21NO4.ClH/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11;/h2-4,14,17,21,23H,1,5-10H2;1H/t14-,17+,18+,19-;/m1./s1",RGPDIGOSVORSAK-STHHAXOLSA-N,C19H22ClNO4,363.8,363.1237359,,70,594,0,3,5,2,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Morphinan-6-one, 4,5-alpha-epoxy-3,14-dihydroxy-17-(2-propenyl)-",000465-65-6,5284596,"(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one",C=CCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O,"InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1",UZHSEJADLWPNLE-GRGSLBFTSA-N,C19H21NO4,327.4,327.1470582,2.1,70,594,0,2,5,2,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OXYCODONE (OXYCONTIN, PERCOCET, TYLOX, ROXICODONE, ROXICET)",000076-42-6,5284603,"(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one",CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O,"InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1",BRUQQQPBMZOVGD-XFKAJCMBSA-N,C18H21NO4,315.4,315.1470582,1.2,59,553,0,1,5,1,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1
"Morphinan-6-one, 4,5-alpha-epoxy-14-hydroxy-3-methoxy-17-methyl-, hydrochloride",124-90-3,5462350,"(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride",CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.Cl,"InChI=1S/C18H21NO4.ClH/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10;/h3-4,13,16,21H,5-9H2,1-2H3;1H/t13-,16+,17+,18-;/m1./s1",MUZQPDBAOYKNLO-RKXJKUSZSA-N,C18H22ClNO4,351.8,351.1237359,,59,553,0,2,5,1,24,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
HYDROMORPHONE (DIHYDROMORPHINONE),000466-99-9,5284570,"(4R,4aR,7aR,12bS)-9-hydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(=O)CC4,"InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/t10-,11+,16-,17-/m0/s1",WVLOADHCBXTIJK-YNHQPCIGSA-N,C17H19NO3,285.34,285.1364935,1.8,49.8,494,0,1,4,0,21,,Decomposes at 305ºC,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,1
"(5ALPHA)-4,5-EPOXY-3,14-DIHYDROXYMORPHINAN-6-ONE",033522-95-1,5497189,"(4R,4aS,7aR,12bS)-4a,9-dihydroxy-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one",C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3)[C@H](C1=O)OC5=C(C=C4)O)O,"InChI=1S/C16H17NO4/c18-9-2-1-8-7-11-16(20)4-3-10(19)14-15(16,5-6-17-11)12(8)13(9)21-14/h1-2,11,14,17-18,20H,3-7H2/t11-,14+,15+,16-/m1/s1",HLMSIZPQBSYUNL-IPOQPSJVSA-N,C16H17NO4,287.31,287.115758,0.4,78.8,511,0,3,5,0,21,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
LYSERGIC ACID DIETHYLAMIDE,000050-37-3,5761,"(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide",CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C,"InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1",VAYOSLLFUXYJDT-RDTXWAMCSA-N,C20H25N3O,323.4,323.1997624,3,39.3,527,0,1,2,3,24,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
D-LYSERGIC ACID,000082-58-6,6717,"(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid",CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)O,"InChI=1S/C16H16N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-5,7,10,14,17H,6,8H2,1H3,(H,19,20)/t10-,14-/m1/s1",ZAGRKAFMISFKIO-QMTHXVAHSA-N,C16H16N2O2,268.31,268.1211778,0,56.3,461,0,2,3,1,20,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ergoline-8-beta-carboxamide, 9,10-didehydro-N-(1-(hydroxymethyl)propyl)-1,6-di",000129-49-7,5281073,"(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid",CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C21H27N3O2.C4H4O4/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14;5-3(6)1-2-4(7)8/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,15+,19-;/m1./s1",LWYXFDXUMVEZKS-ZVFOLQIPSA-N,C25H31N3O6,469.5,469.2212857,,132,697,0,4,7,6,34,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-Ergoline-8-beta-carboxamide maleate (1:1) (salt)",000129-51-1,6437065,"(6aR,9R)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid",C[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C19H23N3O2.C4H4O4/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13;5-3(6)1-2-4(7)8/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24);1-2H,(H,5,6)(H,7,8)/b;2-1-/t11-,13+,17+;/m0./s1",YREISLCRUMOYAY-IIPCNOPRSA-N,C23H27N3O6,441.5,441.1899856,,143,654,0,5,7,5,32,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ergoline-8-carboxamide, 9,10-didehydro-N-(1-(hydroxymethyl)propyl)-6-methyl-,",057432-61-8,5281072,"(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid",CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C20H25N3O2.C4H4O4/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13;5-3(6)1-2-4(7)8/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t13-,14+,18-;/m1./s1",NOFOWWRHEPHDCY-DAUURJMHSA-N,C24H29N3O6,455.5,455.2056357,,143,668,0,5,7,6,33,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Ergoline, 9,10-didehydro-8-hydroxymethyl-6-methyl-",602-85-7,14987,"[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol",CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)CO,"InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15-/m1/s1",BIXJFIJYBLJTMK-MEBBXXQBSA-N,C16H18N2O,254.33,254.1419132,2.2,39.3,394,0,2,2,1,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, N'-((8-alpha)-9,10-didehydro-6-methylergolin-8-yl)-N,N-diethyl-",18016-80-3,28864,"3-[(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea",CCN(CC)C(=O)N[C@@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C,"InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1",BKRGVLQUQGGVSM-KBXCAEBGSA-N,C20H26N4O,338.4,338.2106615,2.7,51.4,544,0,2,2,3,25,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ergoline-8-carboxamide, 9,10-didehydro-N,N-diethyl-, (8-beta)-",35779-43-2,169713,"(6aR,9R)-N,N-diethyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide",CCN(CC)C(=O)[C@H]1CN[C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1,"InChI=1S/C19H23N3O/c1-3-22(4-2)19(23)13-8-15-14-6-5-7-16-18(14)12(10-20-16)9-17(15)21-11-13/h5-8,10,13,17,20-21H,3-4,9,11H2,1-2H3/t13-,17-/m1/s1",SUXLVXOMPKZBOV-CXAGYDPISA-N,C19H23N3O,309.4,309.1841124,2.5,48.1,499,0,2,2,3,23,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 3-(9,10-didehydro-6-methylergolin-8-alpha-yl)-1,1-diethyl-, maleate (1:1",019875-60-6,5282421,"3-[(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea;(Z)-but-2-enedioic acid",CCN(CC)C(=O)N[C@@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C20H26N4O.C4H4O4/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14;5-3(6)1-2-4(7)8/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,18+;/m0./s1",CVQFAMQDTWVJSV-BAXNFHPCSA-N,C24H30N4O5,454.5,454.2216201,,126,663,0,4,6,5,33,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ERGONOVINE AND ITS SALTS,000060-79-7,443884,"(6aR,9R)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide",C[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C,"InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13+,17+/m0/s1",WVVSZNPYNCNODU-XTQGRXLLSA-N,C19H23N3O2,325.4,325.179027,1.8,68.4,535,0,3,3,3,24,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIGOXIGENIN,001672-46-4,15478,"3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one",C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O,"InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1",SHIBSTMRCDJXLN-KCZCNTNESA-N,C23H34O5,390.5,390.2406242,1.1,87,718,0,3,5,1,28,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-beta-Card-20(22)-enolide, 19-oxo-3-beta,5,14-trihydroxy-, 3-acetate",60-38-8,261075,"[(3S,5S,8R,9S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate",CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@@]4([C@@H]3CC[C@@]2(C1)O)O)C5=CC(=O)OC5)C)C=O,"InChI=1S/C25H34O7/c1-15(27)32-17-3-8-23(14-26)19-4-7-22(2)18(16-11-21(28)31-13-16)6-10-25(22,30)20(19)5-9-24(23,29)12-17/h11,14,17-20,29-30H,3-10,12-13H2,1-2H3/t17-,18+,19-,20+,22+,23-,24-,25-/m0/s1",JLZAERUVCODZQO-VWCUIIQSSA-N,C25H34O7,446.5,446.2304534,1.2,110,882,0,2,7,4,32,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-",143-62-4,4369270,"3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one",C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O,"InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1",XZTUSOXSLKTKJQ-CESUGQOBSA-N,C23H34O4,374.5,374.2457096,2.6,66.8,686,0,2,4,1,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-beta-Card-20(22)-enolide, 1-beta,3-beta,5,11-alpha,14,19-hexahydroxy-",508-52-1,12313812,"3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,3,5,11,14-pentahydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one",C[C@]12C[C@H]([C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3([C@@H](C[C@@H](C5)O)O)CO)O)O,"InChI=1S/C23H34O8/c1-20-9-16(26)19-15(23(20,30)5-3-14(20)12-6-18(28)31-10-12)2-4-21(29)8-13(25)7-17(27)22(19,21)11-24/h6,13-17,19,24-27,29-30H,2-5,7-11H2,1H3/t13-,14+,15+,16+,17+,19+,20+,21-,22+,23-/m0/s1",BXSABLKMKAINIU-QOHCMMFCSA-N,C23H34O8,438.5,438.225368,0,148,813,0,6,8,2,31,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"5-beta-Card-20(22)-enolide, 3-beta,14,16-beta-trihydroxy-",545-26-6,348482,"3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one",C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(C[C@@H]([C@@H]4C5=CC(=O)OC5)O)O)C)O,"InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-16(21)6-8-22(2)20(13-9-19(26)28-12-13)18(25)11-23(17,22)27/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16+,17-,18+,20+,21+,22-,23+/m1/s1",PVAMXWLZJKTXFW-VQMOFDJESA-N,C23H34O5,390.5,390.2406242,1.6,87,718,0,3,5,1,28,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-, 3-acetate",808-19-5,10916723,"[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate",CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)C,"InChI=1S/C25H36O5/c1-15(26)30-18-6-9-23(2)17(13-18)4-5-21-20(23)7-10-24(3)19(8-11-25(21,24)28)16-12-22(27)29-14-16/h12,17-21,28H,4-11,13-14H2,1-3H3/t17-,18+,19-,20+,21-,23+,24-,25+/m1/s1",WJOGTCZNZPHODB-WQFRYHCKSA-N,C25H36O5,416.5,416.2562742,3.2,72.8,788,0,1,5,3,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-beta-Card-20(22)-enolide, 3-beta,14,16-beta-trihydroxy-, 3,16-diacetate",3/2/96,22315,"[(3S,5R,10S,13R,14S,16S,17R)-16-acetyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate",CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CCC3C2CC[C@]4([C@@]3(C[C@@H]([C@@H]4C5=CC(=O)OC5)OC(=O)C)O)C)C,"InChI=1S/C27H38O7/c1-15(28)33-19-7-9-25(3)18(12-19)5-6-21-20(25)8-10-26(4)24(17-11-23(30)32-14-17)22(34-16(2)29)13-27(21,26)31/h11,18-22,24,31H,5-10,12-14H2,1-4H3/t18-,19+,20?,21?,22+,24+,25+,26-,27+/m1/s1",ANNNOIZFDGPVNC-UZGQUCAOSA-N,C27H38O7,474.6,474.2617536,2.5,99.1,926,0,1,7,5,34,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-beta-Card-20(22)-enolide, 3-beta,12-beta,14-trihydroxy-, 3,12-diacetate",6078-59-7,13537150,"[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12-acetyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate",CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)OC(=O)C)C,"InChI=1S/C27H38O7/c1-15(28)33-19-7-9-25(3)18(12-19)5-6-21-22(25)13-23(34-16(2)29)26(4)20(8-10-27(21,26)31)17-11-24(30)32-14-17/h11,18-23,31H,5-10,12-14H2,1-4H3/t18-,19+,20-,21-,22+,23-,25+,26+,27+/m1/s1",PERJXZOIRVHGPJ-SHSBHQNSSA-N,C27H38O7,474.6,474.2617536,2.2,99.1,926,0,1,7,5,34,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-beta-Card-20(22)-enolide, 3-beta,5,14-trihydroxy-19-oxo-",66-28-4,6185,"(3S,5S,8R,9S,10S,13R,14S,17R)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde",C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)C=O)O,"InChI=1S/C23H32O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,13,15-18,25,27-28H,2-9,11-12H2,1H3/t15-,16+,17-,18+,20+,21-,22-,23-/m0/s1",ODJLBQGVINUMMR-HZXDTFASSA-N,C23H32O6,404.5,404.2198887,0.6,104,777,0,3,6,2,29,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEMETHANAMINE, N-METHYL-N-(PHENYLMETHYL)-",000102-05-6,21583,N-benzyl-N-methyl-1-phenylmethanamine,CN(CC1=CC=CC=C1)CC2=CC=CC=C2,"InChI=1S/C15H17N/c1-16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3",WYZDCUGWXKHESN-UHFFFAOYSA-N,C15H17N,211.3,211.1360995,3.5,3.2,158,0,0,1,4,16,,,1,1,0,1,0,0,1,1,0,0,0,0,0,0,1,0,1,0,0,1
"ETHANOL, 2-[BIS(PHENYLMETHYL)AMINO]-",000101-06-4,22657,2-(dibenzylamino)ethanol,C1=CC=C(C=C1)CN(CCO)CC2=CC=CC=C2,"InChI=1S/C16H19NO/c18-12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,18H,11-14H2",WTTWSMJHJFNCQB-UHFFFAOYSA-N,C16H19NO,241.33,241.1466642,2.6,23.5,187,0,1,2,6,18,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEMETHANAMINE, N-HYDROXY-N-(PHENYLMETHYL)-",000621-07-8,69297,"N,N-dibenzylhydroxylamine",C1=CC=C(C=C1)CN(CC2=CC=CC=C2)O,"InChI=1S/C14H15NO/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,16H,11-12H2",GXELTROTKVKZBQ-UHFFFAOYSA-N,C14H15NO,213.27,213.1153641,2.8,23.5,163,0,1,2,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Dibenzylamine, N-(2-chloroethyl)-, hydrochloride",55-43-6,5925,"N,N-dibenzyl-2-chloroethanamine;hydrochloride",C1=CC=C(C=C1)CN(CCCl)CC2=CC=CC=C2.Cl,"InChI=1S/C16H18ClN.ClH/c17-11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;/h1-10H,11-14H2;1H",LZXCEBPGNFLHEQ-UHFFFAOYSA-N,C16H19Cl2N,296.2,295.089455,,3.2,187,0,1,1,6,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Dibenzylamine, alpha,alpha'-dimethyl-",10024-74-5,24804,1-phenyl-N-(1-phenylethyl)ethanamine,CC(C1=CC=CC=C1)NC(C)C2=CC=CC=C2,"InChI=1S/C16H19N/c1-13(15-9-5-3-6-10-15)17-14(2)16-11-7-4-8-12-16/h3-14,17H,1-2H3",NXLACVVNHYIYJN-UHFFFAOYSA-N,C16H19N,225.33,225.1517496,3.6,12,180,0,1,1,4,17,,298 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM DIBENZYLDITHIOCARBAMATE,055310-46-8,4676203,"sodium N,N-dibenzylcarbamodithioate",C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)[S-].[Na+],"InChI=1S/C15H15NS2.Na/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h1-10H,11-12H2,(H,17,18);/q;+1/p-1",MYCPTMLDBVIIES-UHFFFAOYSA-M,C15H14NNaS2,295.4,295.0465361,,36.3,241,0,0,2,4,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ACETAMIDE, N,N-BIS(PHENYLMETHYL)-",010479-30-8,82657,"N,N-dibenzylacetamide",CC(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2,"InChI=1S/C16H17NO/c1-14(18)17(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3",JJGMIJNIKHHXHK-UHFFFAOYSA-N,C16H17NO,239.31,239.1310142,2.7,20.3,232,0,0,1,4,18,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Dibenzylamine, N-nitroso-",5336-53-8,21421,"N,N-dibenzylnitrous amide",C1=CC=C(C=C1)CN(CC2=CC=CC=C2)N=O,"InChI=1S/C14H14N2O/c17-15-16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2",RZJLAUZAMYYGMS-UHFFFAOYSA-N,C14H14N2O,226.27,226.1106131,3.2,32.7,200,0,0,3,4,17,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydrazine, 1,1-dibenzyl-",5802-60-8,197050,"1,1-dibenzylhydrazine",C1=CC=C(C=C1)CN(CC2=CC=CC=C2)N,"InChI=1S/C14H16N2/c15-16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12,15H2",CZVXEAWVGZTLON-UHFFFAOYSA-N,C14H16N2,212.29,212.1313485,2.5,29.3,161,0,1,2,4,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Dibenzylamine, hydrochloride",20455-68-9,13000629,N-benzyl-1-phenylmethanamine;hydrochloride,C1=CC=C(C=C1)CNCC2=CC=CC=C2.Cl,"InChI=1S/C14H15N.ClH/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;/h1-10,15H,11-12H2;1H",QEUMNQFVAMSSNS-UHFFFAOYSA-N,C14H16ClN,233.73,233.0971272,,12,137,0,2,1,4,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEMETHANAMINE, N-ETHYL-N-(3-METHYLPHENYL)-",000119-94-8,67076,N-benzyl-N-ethyl-3-methylaniline,CCN(CC1=CC=CC=C1)C2=CC=CC(=C2)C,"InChI=1S/C16H19N/c1-3-17(13-15-9-5-4-6-10-15)16-11-7-8-14(2)12-16/h4-12H,3,13H2,1-2H3",VIACAIAQHPLINF-UHFFFAOYSA-N,C16H19N,225.33,225.1517496,4.3,3.2,208,0,0,1,4,17,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
N-ETHYL-N-PHENYLBENZYLAMINE,000092-59-1,7098,N-benzyl-N-ethylaniline,CCN(CC1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C15H17N/c1-2-16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3",HSZCJVZRHXPCIA-UHFFFAOYSA-N,C15H17N,211.3,211.1360995,4.6,3.2,178,0,0,1,4,16,"greater than 200 °F (NTP, 1992)","545 to 547 °F at 760 mmHg (NTP, 1992)",0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
P-BENZYLAMINOPHENOL,000103-14-0,7637,4-(benzylamino)phenol,C1=CC=C(C=C1)CNC2=CC=C(C=C2)O,"InChI=1S/C13H13NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-9,14-15H,10H2",SRYYOKKLTBRLHT-UHFFFAOYSA-N,C13H13NO,199.25,199.099714,2.8,32.3,169,0,2,2,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
N-PHENYLBENZYLAMINE,000103-32-2,66028,N-benzylaniline,C1=CC=C(C=C1)CNC2=CC=CC=C2,"InChI=1S/C13H13N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10,14H,11H2",GTWJETSWSUWSEJ-UHFFFAOYSA-N,C13H13N,183.25,183.1047994,3.1,12,143,0,1,1,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FLUMETRALIN,062924-70-3,62210,"N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline",CCN(CC1=C(C=CC=C1Cl)F)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],"InChI=1S/C16H12ClF4N3O4/c1-2-22(8-10-11(17)4-3-5-12(10)18)15-13(23(25)26)6-9(16(19,20)21)7-14(15)24(27)28/h3-7H,2,8H2,1H3",PWNAWOCHVWERAR-UHFFFAOYSA-N,C16H12ClF4N3O4,421.73,421.0452462,5.2,94.9,548,0,0,9,4,28,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
EZOGABINE,150812-12-7,121892,ethyl N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]carbamate,CCOC(=O)NC1=C(C=C(C=C1)NCC2=CC=C(C=C2)F)N,"InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)",PCOBBVZJEWWZFR-UHFFFAOYSA-N,C16H18FN3O2,303.33,303.138305,2.8,76.4,348,0,3,5,6,22,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"HYDRAZINE, 1-PHENYL-1-(PHENYLMETHYL)-, MONOHYDROCHLORIDE",005705-15-7,79785,1-benzyl-1-phenylhydrazine;hydrochloride,C1=CC=C(C=C1)CN(C2=CC=CC=C2)N.Cl,"InChI=1S/C13H14N2.ClH/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;/h1-10H,11,14H2;1H",JTYLHYOCBGPMNO-UHFFFAOYSA-N,C13H15ClN2,234.72,234.0923762,,29.3,169,0,2,2,3,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-[3-[[2-(ACETYLOXY)ETHYL](PHENYLMETHYL)AMINO]-4-METHOXYPHENYL]-",070693-57-1,116812,2-(5-acetamido-N-benzyl-2-methoxyanilino)ethyl acetate,CC(=O)NC1=CC(=C(C=C1)OC)N(CCOC(=O)C)CC2=CC=CC=C2,"InChI=1S/C20H24N2O4/c1-15(23)21-18-9-10-20(25-3)19(13-18)22(11-12-26-16(2)24)14-17-7-5-4-6-8-17/h4-10,13H,11-12,14H2,1-3H3,(H,21,23)",FQPUJVKCDSBZLW-UHFFFAOYSA-N,C20H24N2O4,356.4,356.1736073,2.6,67.9,451,0,1,5,9,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANAMINIUM, 2-[[2-CYANO-3-[4-[ETHYL(PHENYLMETHYL)AMINO]PHENYL]-1-OXO-2-PROPE",071550-24-8,166167,2-[3-[4-[benzyl(ethyl)amino]phenyl]-2-cyanoprop-2-enoyl]oxyethyl-trimethylazanium chloride,CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C=C(C#N)C(=O)OCC[N+](C)(C)C.[Cl-],"InChI=1S/C24H30N3O2.ClH/c1-5-26(19-21-9-7-6-8-10-21)23-13-11-20(12-14-23)17-22(18-25)24(28)29-16-15-27(2,3)4;/h6-14,17H,5,15-16,19H2,1-4H3;1H/q+1;/p-1",GTKFSJLRKKMBFK-UHFFFAOYSA-M,C24H30ClN3O2,428,427.2026549,,53.3,585,0,0,5,10,30,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"4,4'-VINYLIDENEBIS(N,N-DIMETHYLANILINE)",007478-69-5,81995,"4-[1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline",CN(C)C1=CC=C(C=C1)C(=C)C2=CC=C(C=C2)N(C)C,"InChI=1S/C18H22N2/c1-14(15-6-10-17(11-7-15)19(2)3)16-8-12-18(13-9-16)20(4)5/h6-13H,1H2,2-5H3",HBWITNNIJDLPLS-UHFFFAOYSA-N,C18H22N2,266.4,266.1782987,4.8,6.5,275,0,0,2,4,20,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,1-DIPHENYLETHYLENE",000530-48-3,10740,1-phenylethenylbenzene,C=C(C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C14H12/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H2",ZMYIIHDQURVDRB-UHFFFAOYSA-N,C14H12,180.24,180.0939004,4.6,0,160,0,0,0,2,14,,,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-PROPENOIC ACID, 2-CYANO-3,3-DIPHENYL-, ETHYL ESTER",005232-99-5,243274,"ethyl 2-cyano-3,3-diphenylprop-2-enoate",CCOC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N,"InChI=1S/C18H15NO2/c1-2-21-18(20)16(13-19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2H2,1H3",IAJNXBNRYMEYAZ-UHFFFAOYSA-N,C18H15NO2,277.3,277.1102787,4.4,50.1,411,0,0,3,5,21,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethylene, 1,1-bis(p-chlorophenyl)-2-chloro-",1022-22-6,98491,1-chloro-4-[2-chloro-1-(4-chlorophenyl)ethenyl]benzene,C1=CC(=CC=C1C(=CCl)C2=CC=C(C=C2)Cl)Cl,InChI=1S/C14H9Cl3/c15-9-14(10-1-5-12(16)6-2-10)11-3-7-13(17)8-4-11/h1-9H,LNKQQZFLNUVWQQ-UHFFFAOYSA-N,C14H9Cl3,283.6,281.976983,6.1,0,235,0,0,0,2,17,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Malononitrile, (diphenylmethylene)-",10394-96-4,25226,2-benzhydrylidenepropanedinitrile,C1=CC=C(C=C1)C(=C(C#N)C#N)C2=CC=CC=C2,InChI=1S/C16H10N2/c17-11-15(12-18)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,KOQMBAGMXLUQDS-UHFFFAOYSA-N,C16H10N2,230.26,230.0843983,3.5,47.6,365,0,0,2,2,18,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Phenol, 4,4'-(2,2-dichloroethenylidene)bis-",14868-03-2,84677,"4-[2,2-dichloro-1-(4-hydroxyphenyl)ethenyl]phenol",C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)O)O,"InChI=1S/C14H10Cl2O2/c15-14(16)13(9-1-5-11(17)6-2-9)10-3-7-12(18)8-4-10/h1-8,17-18H",OWEYKIWAZBBXJK-UHFFFAOYSA-N,C14H10Cl2O2,281.1,280.0057849,5,40.5,273,0,2,2,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2-BIS(4-CHLOROPHENYL)-1,1-DICHLOROETHYLENE",000072-55-9,3035,"1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene",C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl,InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H,UCNVFOCBFJOQAL-UHFFFAOYSA-N,C14H8Cl4,318,317.935061,7,0,269,0,0,0,2,18,,"601.7 °F at 760 mmHg (NTP, 1992)",1,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,1,0,1,0
"2-PROPENAL, 3,3-DIPHENYL-",001210-39-5,71027,"3,3-diphenylprop-2-enal",C1=CC=C(C=C1)C(=CC=O)C2=CC=CC=C2,InChI=1S/C15H12O/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H,MWAFWBDWAWZJGK-UHFFFAOYSA-N,C15H12O,208.25,208.088815,3.7,17.1,222,0,0,1,3,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-PYRIDINAMINE, N-(PHENYLMETHYL)-",006935-27-9,23362,N-benzylpyridin-2-amine,C1=CC=C(C=C1)CNC2=CC=CC=N2,"InChI=1S/C12H12N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9H,10H2,(H,13,14)",WYHXNQXDQQMTQI-UHFFFAOYSA-N,C12H12N2,184.24,184.1000484,2.7,24.9,152,0,1,2,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-PICOLINE, 2-(BENZYLAMINO)-",013021-71-1,83053,N-benzyl-4-methylpyridin-2-amine,CC1=CC(=NC=C1)NCC2=CC=CC=C2,"InChI=1S/C13H14N2/c1-11-7-8-14-13(9-11)15-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,14,15)",QHDJYTUZWBABGW-UHFFFAOYSA-N,C13H14N2,198.26,198.1156985,3,24.9,175,0,1,2,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PYRIDINAMINE, 6-METHYL-N-(PHENYLMETHYL)-",070644-47-2,112445,N-benzyl-6-methylpyridin-2-amine,CC1=NC(=CC=C1)NCC2=CC=CC=C2,"InChI=1S/C13H14N2/c1-11-6-5-9-13(15-11)14-10-12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H,14,15)",FJZQUYGOKRVORO-UHFFFAOYSA-N,C13H14N2,198.26,198.1156985,3.1,24.9,175,0,1,2,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 2-((p-chlorobenzyl)(2-(dimethylamino)ethyl)amino)-",59-32-5,25295,"N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine",CN(C)CCN(CC1=CC=C(C=C1)Cl)C2=CC=CC=N2,"InChI=1S/C16H20ClN3/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14/h3-10H,11-13H2,1-2H3",ICKFFNBDFNZJSX-UHFFFAOYSA-N,C16H20ClN3,289.8,289.1345753,3.9,19.4,264,0,0,3,6,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"Pyridine, 2-(benzyl(2-(dimethylamino)ethyl)amino)-",91-81-6,5587,"N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine",CN(C)CCN(CC1=CC=CC=C1)C2=CC=CC=N2,"InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3",UFLGIAIHIAPJJC-UHFFFAOYSA-N,C16H21N3,255.36,255.1735477,3.3,19.4,236,0,0,3,6,19,,"365 to 374 °F at 1.7 mmHg (NTP, 1992)",0,0,1,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,1,0
"Pyridine, 2-(benzyl(2-(dimethylamino)ethyl)amino)-, monohydrochloride",154-69-8,9066,"N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride",CN(C)CCN(CC1=CC=CC=C1)C2=CC=CC=N2.Cl,"InChI=1S/C16H21N3.ClH/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15;/h3-11H,12-14H2,1-2H3;1H",FSSICIQKZGUEAE-UHFFFAOYSA-N,C16H22ClN3,291.82,291.1502254,,19.4,236,0,1,3,6,20,,,0,0,1,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,1
"Ethylenediamine, N-(p-chlorobenzyl)-N',N'-dimethyl-N-(2-pyridyl)-, hydrochloride",10458-04-5,80311,"N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride",CN(C)CCN(CC1=CC=C(C=C1)Cl)C2=CC=CC=N2.Cl,"InChI=1S/C16H20ClN3.ClH/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14;/h3-10H,11-13H2,1-2H3;1H",VEYWWAGBHABATA-UHFFFAOYSA-N,C16H21Cl2N3,326.3,325.1112531,,19.4,264,0,1,3,6,21,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbamic acid, (2-amino-6-(((4-fluorophenyl)methyl)amino)-3-pyridinyl)-, ethyl ester,(Z)-2-butenedioate (1:1)",75507-68-5,6435335,(Z)-but-2-enedioic acid;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate,CCOC(=O)NC1=C(N=C(C=C1)NCC2=CC=C(C=C2)F)N.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C15H17FN4O2.C4H4O4/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10;5-3(6)1-2-4(7)8/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20);1-2H,(H,5,6)(H,7,8)/b;2-1-",DPYIXBFZUMCMJM-BTJKTKAUSA-N,C19H21FN4O6,420.4,420.1445126,,164,469,0,5,10,8,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 2-((2-(dimethylamino)ethyl)(p-methoxybenzyl)amino)-",000091-84-9,4992,"N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine",CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2,"InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3",YECBIJXISLIIDS-UHFFFAOYSA-N,C17H23N3O,285.4,285.1841124,3.3,28.6,277,0,0,4,7,21,,"334 to 342 °F at 0.06 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
1-(2-AMINOPHENYL)PYRROLE,006025-60-1,80123,2-pyrrol-1-ylaniline,C1=CC=C(C(=C1)N)N2C=CC=C2,"InChI=1S/C10H10N2/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h1-8H,11H2",GDMZHPUPLWQIBD-UHFFFAOYSA-N,C10H10N2,158.2,158.0843983,1.6,31,141,0,1,1,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-PYRROLE-3-CARBOXALDEHYDE, 2,5-DIMETHYL-1-PHENYL-",000083-18-1,66515,"2,5-dimethyl-1-phenylpyrrole-3-carbaldehyde",CC1=CC(=C(N1C2=CC=CC=C2)C)C=O,"InChI=1S/C13H13NO/c1-10-8-12(9-15)11(2)14(10)13-6-4-3-5-7-13/h3-9H,1-2H3",LNROIXNEIZSESG-UHFFFAOYSA-N,C13H13NO,199.25,199.099714,2.6,22,223,0,0,1,2,15,,,1,0,0,1,0,1,1,1,0,0,1,0,0,1,0,0,1,1,0,1
"1H-PYRROLE, 2,5-DIMETHYL-1-PHENYL-",000083-24-9,66518,"2,5-dimethyl-1-phenylpyrrole",CC1=CC=C(N1C2=CC=CC=C2)C,"InChI=1S/C12H13N/c1-10-8-9-11(2)13(10)12-6-4-3-5-7-12/h3-9H,1-2H3",JNXIFVSGXLGULI-UHFFFAOYSA-N,C12H13N,171.24,171.1047994,3.1,4.9,151,0,0,0,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, (p-(1-pyrrolyl)phenyl)-",22048-71-1,30923,2-(4-pyrrol-1-ylphenyl)acetic acid,C1=CN(C=C1)C2=CC=C(C=C2)CC(=O)O,"InChI=1S/C12H11NO2/c14-12(15)9-10-3-5-11(6-4-10)13-7-1-2-8-13/h1-8H,9H2,(H,14,15)",KCZGWRZYJZGMQW-UHFFFAOYSA-N,C12H11NO2,201.22,201.0789786,1.8,42.2,216,0,1,2,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-fluorophenyl)-",42779-83-9,3039301,"2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid",CC1=CC(=C(N1C2=CC=C(C=C2)F)C)CC(=O)O,"InChI=1S/C14H14FNO2/c1-9-7-11(8-14(17)18)10(2)16(9)13-5-3-12(15)4-6-13/h3-7H,8H2,1-2H3,(H,17,18)",MUUKTZUQKRDEPH-UHFFFAOYSA-N,C14H14FNO2,247.26,247.1008569,2.7,42.2,302,0,1,3,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(4-methylphenyl)-",42779-84-0,3039302,"2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]acetic acid",CC1=CC=C(C=C1)N2C(=CC(=C2C)CC(=O)O)C,"InChI=1S/C15H17NO2/c1-10-4-6-14(7-5-10)16-11(2)8-13(12(16)3)9-15(17)18/h4-8H,9H2,1-3H3,(H,17,18)",UUVCVTSSMHFGDP-UHFFFAOYSA-N,C15H17NO2,243.3,243.1259288,2.9,42.2,297,0,1,2,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenesulfonamide, p-(1-pyrrolyl)-",,226310,4-pyrrol-1-ylbenzenesulfonamide,C1=CN(C=C1)C2=CC=C(C=C2)S(=O)(=O)N,"InChI=1S/C10H10N2O2S/c11-15(13,14)10-5-3-9(4-6-10)12-7-1-2-8-12/h1-8H,(H2,11,13,14)",HEROWGICZZJWKP-UHFFFAOYSA-N,C10H10N2O2S,222.27,222.0462987,1.6,73.5,296,0,1,3,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrrole-3-carboxylic acid, 1-(4-chlorophenyl)-2,5-dimethyl-",60217-76-7,2739317,"1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxylic acid",CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)O,"InChI=1S/C13H12ClNO2/c1-8-7-12(13(16)17)9(2)15(8)11-5-3-10(14)4-6-11/h3-7H,1-2H3,(H,16,17)",CCMUJMMWBQLMFO-UHFFFAOYSA-N,C13H12ClNO2,249.69,249.0556563,3.3,42.2,289,0,1,2,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-NITROPHENYL-B-D-GLYCOPYRANOSIDE,002492-87-7,92930,"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol",C1=CC(=CC=C1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,"InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",IFBHRQDFSNCLOZ-RMPHRYRLSA-N,C12H15NO8,301.25,301.0797664,-0.4,145,354,0,4,8,3,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
Phenyl alpha-D-glucopyranoside,004630-62-0,99489,"(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol",C1=CC=C(C=C1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,"InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11-,12+/m1/s1",NEZJDVYDSZTRFS-ZIQFBCGOSA-N,C12H16O6,256.25,256.0946882,-0.9,99.4,255,0,4,6,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
O-NITROPHENYL B-D-GALACTOPYRANOSIDE,000369-07-3,96647,"(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-nitrophenoxy)oxane-3,4,5-triol",C1=CC=C(C(=C1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,"InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12-/m1/s1",KUWPCJHYPSUOFW-YBXAARCKSA-N,C12H15NO8,301.25,301.0797664,-1.2,145,362,0,4,8,3,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(TETRAHYDRO-2H-PYRAN-2-YLOXY)PHENYLBORONICACID,182281-01-2,5017652,[4-(oxan-2-yloxy)phenyl]boronic acid,B(C1=CC=C(C=C1)OC2CCCCO2)(O)O,"InChI=1S/C11H15BO4/c13-12(14)9-4-6-10(7-5-9)16-11-3-1-2-8-15-11/h4-7,11,13-14H,1-3,8H2",DMGMCZRNMYQQQB-UHFFFAOYSA-N,C11H15BO4,222.05,222.1063391,,58.9,204,0,2,4,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SALICIN,000138-52-3,439503,"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol",C1=CC=C(C(=C1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,"InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1",NGFMICBWJRZIBI-UJPOAAIJSA-N,C13H18O7,286.28,286.1052529,-1.2,120,300,0,5,7,4,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"beta-D-Glucopyranoside, 4-(hydroxymethyl)phenyl",62499-27-8,115067,"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol",C1=CC(=CC=C1CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,"InChI=1S/C13H18O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1",PUQSUZTXKPLAPR-UJPOAAIJSA-N,C13H18O7,286.28,286.1052529,-0.8,120,292,0,5,7,4,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"beta-D-Glucopyranoside, 3-hydroxy-5-methylphenyl",,12315192,"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol",CC1=CC(=CC(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O,"InChI=1S/C13H18O7/c1-6-2-7(15)4-8(3-6)19-13-12(18)11(17)10(16)9(5-14)20-13/h2-4,9-18H,5H2,1H3/t9-,10-,11+,12-,13-/m1/s1",YTXIGTCAQNODGD-UJPOAAIJSA-N,C13H18O7,286.28,286.1052529,-0.5,120,313,0,5,7,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
P-NITROPHENYL BETA-D-XYLOPYRANOSIDE,002001-96-9,91509,"(2S,3R,4S,5R)-2-(4-nitrophenoxy)oxane-3,4,5-triol",C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)[N+](=O)[O-])O)O)O,"InChI=1S/C11H13NO7/c13-8-5-18-11(10(15)9(8)14)19-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9+,10-,11+/m1/s1",MLJYKRYCCUGBBV-YTWAJWBKSA-N,C11H13NO7,271.22,271.0692018,-0.3,125,313,0,3,7,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
INDOLINE,000496-15-1,10328,"2,3-dihydro-1H-indole",C1CNC2=CC=CC=C21,"InChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2",LPAGFVYQRIESJQ-UHFFFAOYSA-N,C8H9N,119.16,119.0734993,1.9,12,101,0,1,1,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-ACETYLINDOLINE,016078-30-1,27673,"1-(2,3-dihydroindol-1-yl)ethanone",CC(=O)N1CCC2=CC=CC=C21,"InChI=1S/C10H11NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3",RNTCWULFNYNFGI-UHFFFAOYSA-N,C10H11NO,161.2,161.084064,1.3,20.3,190,0,0,1,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(S)-(-)-INDOLINE-2-CARBOXYLIC ACID,079815-20-6,2733920,"(2S)-2,3-dihydro-1H-indole-2-carboxylic acid",C1[C@H](NC2=CC=CC=C21)C(=O)O,"InChI=1S/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)/t8-/m0/s1",QNRXNRGSOJZINA-QMMMGPOBSA-N,C9H9NO2,163.17,163.0633285,1.6,49.3,193,0,2,3,1,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,1,0
"Indoline, 2,3-dimethyl-",22120-50-9,30944,"2,3-dimethyl-2,3-dihydro-1H-indole",CC1C(NC2=CC=CC=C12)C,"InChI=1S/C10H13N/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-8,11H,1-2H3",NNPSOAOENINXMR-UHFFFAOYSA-N,C10H13N,147.22,147.1047994,2.7,12,144,0,1,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indoline, 6-amino-, dihydrochloride",28228-73-1,24801896,"2,3-dihydro-1H-indol-6-amine;dihydrochloride",C1CNC2=C1C=CC(=C2)N.Cl.Cl,"InChI=1S/C8H10N2.2ClH/c9-7-2-1-6-3-4-10-8(6)5-7;;/h1-2,5,10H,3-4,9H2;2*1H",BUCGXUKNUAIELU-UHFFFAOYSA-N,C8H12Cl2N2,207.1,206.0377538,,38.1,124,0,4,2,0,12,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Indoline, 5-nitro-",32692-19-6,36219,"5-nitro-2,3-dihydro-1H-indole",C1CNC2=C1C=C(C=C2)[N+](=O)[O-],"InChI=1S/C8H8N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9H,3-4H2",WJQWYAJTPPYORB-UHFFFAOYSA-N,C8H8N2O2,164.16,164.0585775,2.1,57.9,190,0,1,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indole, dihydromethyl-",88475-55-2,55830,"1-methyl-2,3-dihydroindole",CN1CCC2=CC=CC=C21,"InChI=1S/C9H11N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-5H,6-7H2,1H3",FIRXFHJQGIIJDB-UHFFFAOYSA-N,C9H11N,133.19,133.0891494,2.1,3.2,122,0,0,1,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Indoline-3-propionic acid, alpha-amino-3-hydroxy-2-oxo-, mixed with sodium nitrite",,3864552,"3-(2,3-dihydro-1H-indol-3-yl)propanoic acid",C1C(C2=CC=CC=C2N1)CCC(=O)O,"InChI=1S/C11H13NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,8,12H,5-7H2,(H,13,14)",RTQBHGZHDQGEOT-UHFFFAOYSA-N,C11H13NO2,191.23,191.0946287,1.6,49.3,217,0,2,3,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-METHYLINDOLINE,006872-06-6,23305,"2-methyl-2,3-dihydro-1H-indole",CC1CC2=CC=CC=C2N1,"InChI=1S/C9H11N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7,10H,6H2,1H3",QRWRJDVVXAXGBT-UHFFFAOYSA-N,C9H11N,133.19,133.0891494,2.4,12,122,0,1,1,0,10,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
1-(3-AMINOPHENYL)PYRROLIDIN-2-ONE,031992-43-5,683956,1-(3-aminophenyl)pyrrolidin-2-one,C1CC(=O)N(C1)C2=CC=CC(=C2)N,"InChI=1S/C10H12N2O/c11-8-3-1-4-9(7-8)12-6-2-5-10(12)13/h1,3-4,7H,2,5-6,11H2",ZQGGRBIDRBYUJS-UHFFFAOYSA-N,C10H12N2O,176.21,176.094963,0.7,46.3,205,0,1,2,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyrrolidinone, 4-amino-1-phenyl-, hydrochloride",774-21-0,102488,4-amino-1-phenylpyrrolidin-2-one;hydrochloride,C1C(CN(C1=O)C2=CC=CC=C2)N.Cl,"InChI=1S/C10H12N2O.ClH/c11-8-6-10(13)12(7-8)9-4-2-1-3-5-9;/h1-5,8H,6-7,11H2;1H",YKUPNEOUQMMOGV-UHFFFAOYSA-N,C10H13ClN2O,212.67,212.0716407,,46.3,199,0,2,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyrrolidinone, 3-amino-1-(p-fluorophenyl)-",5301-36-0,110643,3-amino-1-(4-fluorophenyl)pyrrolidin-2-one,C1CN(C(=O)C1N)C2=CC=C(C=C2)F,"InChI=1S/C10H11FN2O/c11-7-1-3-8(4-2-7)13-6-5-9(12)10(13)14/h1-4,9H,5-6,12H2",LSAHUFPNCNCJLX-UHFFFAOYSA-N,C10H11FN2O,194.21,194.0855411,0.6,46.3,226,0,1,3,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenesulfonamide, 4-(2-oxo-1-pyrrolidinyl)-",36090-27-4,215697,4-(2-oxopyrrolidin-1-yl)benzenesulfonamide,C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N,"InChI=1S/C10H12N2O3S/c11-16(14,15)9-5-3-8(4-6-9)12-7-1-2-10(12)13/h3-6H,1-2,7H2,(H2,11,14,15)",LYEJSYHEDLGIFI-UHFFFAOYSA-N,C10H12N2O3S,240.28,240.0568634,-0.1,88.9,366,0,1,4,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyrrolidinecarboxylic acid, 1-(4-chlorophenyl)-5-oxo-",39629-87-3,217785,1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid,C1C(CN(C1=O)C2=CC=C(C=C2)Cl)C(=O)O,"InChI=1S/C11H10ClNO3/c12-8-1-3-9(4-2-8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)",QPYOMMCYFFZXIT-UHFFFAOYSA-N,C11H10ClNO3,239.65,239.0349209,1.1,57.6,300,0,1,3,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"3-Pyrrolidinecarboxylic acid, 2-oxo-1-phenyl-",56137-52-1,3043762,2-oxo-1-phenylpyrrolidine-3-carboxylic acid,C1CN(C(=O)C1C(=O)O)C2=CC=CC=C2,"InChI=1S/C11H11NO3/c13-10-9(11(14)15)6-7-12(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,15)",KIXWRXJXMVUWCP-UHFFFAOYSA-N,C11H11NO3,205.21,205.0738932,1.7,57.6,271,0,1,3,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyrrolidinecarboxylic acid, 1-(3-methylphenyl)-5-oxo-",56617-45-9,2911491,1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid,CC1=CC(=CC=C1)N2CC(CC2=O)C(=O)O,"InChI=1S/C12H13NO3/c1-8-3-2-4-10(5-8)13-7-9(12(15)16)6-11(13)14/h2-5,9H,6-7H2,1H3,(H,15,16)",FEIYFABONGDZKQ-UHFFFAOYSA-N,C12H13NO3,219.24,219.0895433,0.9,57.6,303,0,1,3,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyrrolidinone, 3-chloro-4-(chloromethyl)-1-(3-(trifluoromethyl)phenyl)-",61213-25-0,91677,3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one,C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl,"InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2",OQZCSNDVOWYALR-UHFFFAOYSA-N,C12H10Cl2F3NO,312.11,311.0091538,3.4,20.3,350,0,0,4,2,19,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,1,0,0
"3-Pyrrolidinecarboxylic acid, 1-(2-chlorophenyl)-5-oxo-",,2889673,1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid,C1C(CN(C1=O)C2=CC=CC=C2Cl)C(=O)O,"InChI=1S/C11H10ClNO3/c12-8-3-1-2-4-9(8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)",ACCRKQWGKXZJPM-UHFFFAOYSA-N,C11H10ClNO3,239.65,239.0349209,1.1,57.6,308,0,1,3,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"7-BENZOTHIAZOLESULFONIC ACID, 2-(4-AMINOPHENYL)-6-METHYL-",000130-17-6,174223,"2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid",CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N)S(=O)(=O)O,"InChI=1S/C14H12N2O3S2/c1-8-2-7-11-12(13(8)21(17,18)19)20-14(16-11)9-3-5-10(15)6-4-9/h2-7H,15H2,1H3,(H,17,18,19)",KGZUHYIHYBDNLC-UHFFFAOYSA-N,C14H12N2O3S2,320.4,320.0289346,2.5,130,471,0,2,6,2,21,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, N,N-DIMETHYL-4-(6-METHYL-2-BENZOTHIAZOLYL)-",010205-62-6,82450,"N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline",CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N(C)C,"InChI=1S/C16H16N2S/c1-11-4-9-14-15(10-11)19-16(17-14)12-5-7-13(8-6-12)18(2)3/h4-10H,1-3H3",OEOPVJYUCSQVMJ-UHFFFAOYSA-N,C16H16N2S,268.4,268.1034197,4.7,44.4,299,0,0,3,2,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2-(2-BENZOTHIAZOLYL)-",003411-95-8,18874,"2-(1,3-benzothiazol-2-yl)phenol",C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)O,"InChI=1S/C13H9NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H",MVVGSPCXHRFDDR-UHFFFAOYSA-N,C13H9NOS,227.28,227.0404851,3.9,61.4,248,0,1,3,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"7-BENZOTHIAZOLESULFONIC ACID, 2-(4-AMINO-3-SULFOPHENYL)-6-METHYL-",005855-98-1,79955,"2-(4-amino-3-sulfophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid",CC1=C(C2=C(C=C1)N=C(S2)C3=CC(=C(C=C3)N)S(=O)(=O)O)S(=O)(=O)O,"InChI=1S/C14H12N2O6S3/c1-7-2-5-10-12(13(7)25(20,21)22)23-14(16-10)8-3-4-9(15)11(6-8)24(17,18)19/h2-6H,15H2,1H3,(H,17,18,19)(H,20,21,22)",ANZCWTMNWQPOQI-UHFFFAOYSA-N,C14H12N2O6S3,400.5,399.9857496,1.8,193,701,0,3,9,3,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzothiazole, 5-chloro-2-(p-(2-(diethylamino)ethoxy)phenyl)-, hydrochloride",2607-31-0,24188465,"2-[4-(5-chloro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethylethanamine;hydrochloride",CCN(CC)CCOC1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)Cl.Cl,"InChI=1S/C19H21ClN2OS.ClH/c1-3-22(4-2)11-12-23-16-8-5-14(6-9-16)19-21-17-13-15(20)7-10-18(17)24-19;/h5-10,13H,3-4,11-12H2,1-2H3;1H",ZDKBIKAYRLTVKY-UHFFFAOYSA-N,C19H22Cl2N2OS,397.4,396.0829899,,53.6,374,0,1,4,7,25,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenamine, 3-(2-benzothiazolyl)-",41230-21-1,720999,"3-(1,3-benzothiazol-2-yl)aniline",C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)N,"InChI=1S/C13H10N2S/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H,14H2",MKMRZZJJDIBAJF-UHFFFAOYSA-N,C13H10N2S,226.3,226.0564695,3.6,67.2,246,0,1,3,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzeneamine, 4-(5-fluoro-2-benzothiazolyl)-2-methyl-",260443-89-8,396813,"4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methylaniline",CC1=C(C=CC(=C1)C2=NC3=C(S2)C=CC(=C3)F)N,"InChI=1S/C14H11FN2S/c1-8-6-9(2-4-11(8)16)14-17-12-7-10(15)3-5-13(12)18-14/h2-7H,16H2,1H3",IFWLHIIUGSEKKE-UHFFFAOYSA-N,C14H11FN2S,258.32,258.0626977,3.8,67.2,302,0,1,4,1,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenamine, 4-(2-benzothiazolyl)-",6278-73-5,234475,"4-(1,3-benzothiazol-2-yl)aniline",C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N,"InChI=1S/C13H10N2S/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H,14H2",WKRCOZSCENDENK-UHFFFAOYSA-N,C13H10N2S,226.3,226.0564695,3.6,67.2,238,0,1,3,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DIBROMOPHENYL GLYCIDYL ETHER",020217-01-0,62740,"2-[(2,4-dibromophenoxy)methyl]oxirane",C1C(O1)COC2=C(C=C(C=C2)Br)Br,"InChI=1S/C9H8Br2O2/c10-6-1-2-9(8(11)3-6)13-5-7-4-12-7/h1-3,7H,4-5H2",NFWLWLQSZIJYFR-UHFFFAOYSA-N,C9H8Br2O2,307.97,307.88706,3,21.8,177,0,0,2,3,13,,,0,0,0,1,0,0,1,1,0,0,1,0,0,0,0,0,1,1,0,0
"2,3-EPOXYPROPYL 4-METHOXYPHENYL ETHER",002211-94-1,16646,2-[(4-methoxyphenoxy)methyl]oxirane,COC1=CC=C(C=C1)OCC2CO2,"InChI=1S/C10H12O3/c1-11-8-2-4-9(5-3-8)12-6-10-7-13-10/h2-5,10H,6-7H2,1H3",AVWGFHZLPMLKBL-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,1.6,31,152,0,0,3,4,13,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
GLYCIDYL 4-NONYLPHENYL ETHER,006178-32-1,61374,2-[(4-nonylphenoxy)methyl]oxirane,CCCCCCCCCC1=CC=C(C=C1)OCC2CO2,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)19-14-18-15-20-18/h10-13,18H,2-9,14-15H2,1H3",AVKQYWUBGXNBCW-UHFFFAOYSA-N,C18H28O2,276.4,276.2089301,6.2,21.8,234,0,0,2,11,20,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"4-CHLOROPHENYL 2,3-EPOXYPROPYL ETHER",002212-05-7,91515,2-[(4-chlorophenoxy)methyl]oxirane,C1C(O1)COC2=CC=C(C=C2)Cl,"InChI=1S/C9H9ClO2/c10-7-1-3-8(4-2-7)11-5-9-6-12-9/h1-4,9H,5-6H2",KSLSZOOZWRMSAP-UHFFFAOYSA-N,C9H9ClO2,184.62,184.0291072,2.2,21.8,143,0,0,2,3,12,,,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"OXIRANE, [(METHYLPHENOXY)METHYL]-",026447-14-3,16606,2-[(4-methylphenoxy)methyl]oxirane,CC1=CC=C(C=C1)OCC2CO2,"InChI=1S/C10H12O2/c1-8-2-4-9(5-3-8)11-6-10-7-12-10/h2-5,10H,6-7H2,1H3",CUFXMPWHOWYNSO-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,2,21.8,139,0,0,2,3,12,"less than 200 °F (NTP, 1992)","498 °F at 760 mmHg (approx.) (USCG, 1999)",0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,1,1,0,0
PHENYL GLYCIDYL ETHER,000122-60-1,31217,2-(phenoxymethyl)oxirane,C1C(O1)COC2=CC=CC=C2,"InChI=1S/C9H10O2/c1-2-4-8(5-3-1)10-6-9-7-11-9/h1-5,9H,6-7H2",FQYUMYWMJTYZTK-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,1.6,21.8,119,0,0,2,3,11,"greater than 200 °F (NTP, 1992)","473 °F at 760 mmHg (NTP, 1992)",0,0,1,0,0,1,1,0,0,0,1,0,0,0,0,0,1,1,0,1
"Propane, 1,2-epoxy-3-(o-methoxyphenoxy)-",2210-74-4,98357,2-[(2-methoxyphenoxy)methyl]oxirane,COC1=CC=CC=C1OCC2CO2,"InChI=1S/C10H12O3/c1-11-9-4-2-3-5-10(9)13-7-8-6-12-8/h2-5,8H,6-7H2,1H3",RJNVSQLNEALZLC-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,1.6,31,160,0,0,3,4,13,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,1,0,1
"Propane, 1-(p-bromophenoxy)-2,3-epoxy-",6/8/12,102766,2-[(4-bromophenoxy)methyl]oxirane,C1C(O1)COC2=CC=C(C=C2)Br,"InChI=1S/C9H9BrO2/c10-7-1-3-8(4-2-7)11-5-9-6-12-9/h1-4,9H,5-6H2",YKUYKENINQNULY-UHFFFAOYSA-N,C9H9BrO2,229.07,227.97859,2.3,21.8,143,0,0,2,3,12,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-TERT-BUTYLPHENYL GLYCIDYL ESTER,003101-60-8,18360,2-[(4-tert-butylphenoxy)methyl]oxirane,CC(C)(C)C1=CC=C(C=C1)OCC2CO2,"InChI=1S/C13H18O2/c1-13(2,3)10-4-6-11(7-5-10)14-8-12-9-15-12/h4-7,12H,8-9H2,1-3H3",HHRACYLRBOUBKM-UHFFFAOYSA-N,C13H18O2,206.28,206.1306798,3.3,21.8,199,0,0,2,4,15,"215 °F (NTP, 1992)","329 to 338 °F at 14 mmHg (NTP, 1992)",0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
O-CRESYL GLYCIDYL ETHER,002210-79-9,16640,2-[(2-methylphenoxy)methyl]oxirane,CC1=CC=CC=C1OCC2CO2,"InChI=1S/C10H12O2/c1-8-4-2-3-5-10(8)12-7-9-6-11-9/h2-5,9H,6-7H2,1H3",KFUSXMDYOPXKKT-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,2.4,21.8,147,0,0,2,3,12,"200 °F (NTP, 1992)","498 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,1,1,0,0
"Benzeneacetamide, 4-(oxiranylmethoxy)-",29122-69-8,119857,2-[4-(oxiran-2-ylmethoxy)phenyl]acetamide,C1C(O1)COC2=CC=C(C=C2)CC(=O)N,"InChI=1S/C11H13NO3/c12-11(13)5-8-1-3-9(4-2-8)14-6-10-7-15-10/h1-4,10H,5-7H2,(H2,12,13)",SOGKXLVYZZXFTN-UHFFFAOYSA-N,C11H13NO3,207.23,207.0895433,0.4,64.9,224,0,1,3,5,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(OC-6-11)HEXAFLUOROANTIMONATE(1-) SALT WITH N,N-BIS[4-(DIETHYLAMINO)PHE",041494-34-2,91867662,"antimony(5+);4-N,4-N-bis[4-(diethylamino)phenyl]-1-N,1-N-diethylbenzene-1,4-diamine;hexafluoride",CCN(CC)C1=CC=C(C=C1)N(C2=CC=C(C=C2)N(CC)CC)C3=CC=C(C=C3)N(CC)CC.[F-].[F-].[F-].[F-].[F-].[F-].[Sb+5],"InChI=1S/C30H42N4.6FH.Sb/c1-7-31(8-2)25-13-19-28(20-14-25)34(29-21-15-26(16-22-29)32(9-3)10-4)30-23-17-27(18-24-30)33(11-5)12-6;;;;;;;/h13-24H,7-12H2,1-6H3;6*1H;/q;;;;;;;+5/p-6",SWHALQSKQOETJC-UHFFFAOYSA-H,C30H42F6N4Sb-,694.4,693.23518,,13,442,-1,0,10,12,41,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIS(4-BROMOPHENYL)AMINE,004316-58-9,258027,"4-bromo-N,N-bis(4-bromophenyl)aniline",C1=CC(=CC=C1N(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br)Br,InChI=1S/C18H12Br3N/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H,ZRXVCYGHAUGABY-UHFFFAOYSA-N,C18H12Br3N,482,480.84994,7.2,3.2,275,0,0,1,3,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-BENZENEDIAMINE, N,N-DIPHENYL-",002350-01-8,75371,"4-N,4-N-diphenylbenzene-1,4-diamine",C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N,"InChI=1S/C18H16N2/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,19H2",UXKQNCDDHDBAPD-UHFFFAOYSA-N,C18H16N2,260.3,260.1313485,5.1,29.3,253,0,1,2,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZALDEHYDE, 4-(DIPHENYLAMINO)-",004181-05-9,77846,4-(N-phenylanilino)benzaldehyde,C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C=O,InChI=1S/C19H15NO/c21-15-16-11-13-19(14-12-16)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H,UESSERYYFWCTBU-UHFFFAOYSA-N,C19H15NO,273.3,273.1153641,5.2,20.3,292,0,0,2,4,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIPHENYLAMINE,000603-34-9,11775,"N,N-diphenylaniline",C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3,InChI=1S/C18H15N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,ODHXBMXNKOYIBV-UHFFFAOYSA-N,C18H15N,245.3,245.1204495,5.7,3.2,202,0,0,1,3,19,180 °C,"657 to 658 °F at 760 mmHg ; 383-401 °F at 10-22 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, 4-[BIS(4-METHYLPHENYL)AMINO]-",042906-19-4,170701,4-(4-methyl-N-(4-methylphenyl)anilino)benzaldehyde,CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C=O,"InChI=1S/C21H19NO/c1-16-3-9-19(10-4-16)22(20-11-5-17(2)6-12-20)21-13-7-18(15-23)8-14-21/h3-15H,1-2H3",XCGLXUJEPIVZJM-UHFFFAOYSA-N,C21H19NO,301.4,301.1466642,5.4,20.3,336,0,0,2,4,23,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-Benzenediamine, N-(4-aminophenyl)-N-phenyl-",4117-90-2,199391,"4-N-(4-aminophenyl)-4-N-phenylbenzene-1,4-diamine",C1=CC=C(C=C1)N(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N,"InChI=1S/C18H17N3/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H,19-20H2",YFBMJEBQWQBRQJ-UHFFFAOYSA-N,C18H17N3,275.3,275.1422476,4.4,55.3,276,0,2,3,3,21,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENAMINE, 4-NITRO-N,N-BIS(4-NITROPHENYL)-",020440-93-1,88538,"4-nitro-N,N-bis(4-nitrophenyl)aniline",C1=CC(=CC=C1N(C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C18H12N4O6/c23-20(24)16-7-1-13(2-8-16)19(14-3-9-17(10-4-14)21(25)26)15-5-11-18(12-6-15)22(27)28/h1-12H,LSNJBIDKQIRWRQ-UHFFFAOYSA-N,C18H12N4O6,380.3,380.0756841,4.6,141,481,0,0,7,3,28,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, 4-METHYL-N-(4-METHYLPHENYL)-N-PHENYL-",020440-95-3,88539,4-methyl-N-(4-methylphenyl)-N-phenylaniline,CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C,"InChI=1S/C20H19N/c1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20/h3-15H,1-2H3",YWKKLBATUCJUHI-UHFFFAOYSA-N,C20H19N,273.4,273.1517496,6.5,3.2,269,0,0,1,3,21,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-BENZENEDIAMINE, N,N-BIS(4-AMINOPHENYL)-",005981-09-9,80083,"4-N,4-N-bis(4-aminophenyl)benzene-1,4-diamine",C1=CC(=CC=C1N)N(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N,"InChI=1S/C18H18N4/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H,19-21H2",SNLFYGIUTYKKOE-UHFFFAOYSA-N,C18H18N4,290.4,290.1531466,3.1,81.3,272,0,3,4,3,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2-(2H-BENZOTRIAZOL-2-YL)-4-(1,1-DIMETHYLETHYL)-",003147-76-0,76605,2-(benzotriazol-2-yl)-4-tert-butylphenol,CC(C)(C)C1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2,"InChI=1S/C16H17N3O/c1-16(2,3)11-8-9-15(20)14(10-11)19-17-12-6-4-5-7-13(12)18-19/h4-10,20H,1-3H3",WXHVQMGINBSVAY-UHFFFAOYSA-N,C16H17N3O,267.33,267.1371622,5.6,50.9,327,0,1,3,2,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHENOL, 2-(2H-BENZOTRIAZOL-2-YL)-4,6-BIS(1,1-DIMETHYLETHYL)-",003846-71-7,77455,"2-(benzotriazol-2-yl)-4,6-ditert-butylphenol",CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)C(C)(C)C,"InChI=1S/C20H25N3O/c1-19(2,3)13-11-14(20(4,5)6)18(24)17(12-13)23-21-15-9-7-8-10-16(15)22-23/h7-12,24H,1-6H3",LHPPDQUVECZQSW-UHFFFAOYSA-N,C20H25N3O,323.4,323.1997624,7.3,50.9,425,0,1,3,3,24,,,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"PHENOL, 2-(5-CHLORO-2H-BENZOTRIAZOL-2-YL)-4,6-BIS(1,1-DIMETHYLETHYL)-",003864-99-1,77470,"2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol",CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)O)C(C)(C)C,"InChI=1S/C20H24ClN3O/c1-19(2,3)12-9-14(20(4,5)6)18(25)17(10-12)24-22-15-8-7-13(21)11-16(15)23-24/h7-11,25H,1-6H3",UWSMKYBKUPAEJQ-UHFFFAOYSA-N,C20H24ClN3O,357.9,357.1607901,6.9,50.9,473,0,1,3,3,25,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"PHENOL, 2-(2H-BENZOTRIAZOL-2-YL)-4-(1,1-DIMETHYLETHYL)-6-(1-METHYLPROPYL)-",036437-37-3,118327,2-(benzotriazol-2-yl)-6-butan-2-yl-4-tert-butylphenol,CCC(C)C1=C(C(=CC(=C1)C(C)(C)C)N2N=C3C=CC=CC3=N2)O,"InChI=1S/C20H25N3O/c1-6-13(2)15-11-14(20(3,4)5)12-18(19(15)24)23-21-16-9-7-8-10-17(16)22-23/h7-13,24H,6H2,1-5H3",RTNVDKBRTXEWQE-UHFFFAOYSA-N,C20H25N3O,323.4,323.1997624,6.3,50.9,408,0,1,3,4,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2-(2H-BENZOTRIALZOL-2-YL)4,6-DI-TERT-PENTYLPHENOL",025973-55-1,33263,"2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol",CCC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)C(C)(C)CC,"InChI=1S/C22H29N3O/c1-7-21(3,4)15-13-16(22(5,6)8-2)20(26)19(14-15)25-23-17-11-9-10-12-18(17)24-25/h9-14,26H,7-8H2,1-6H3",ZMWRRFHBXARRRT-UHFFFAOYSA-N,C22H29N3O,351.5,351.2310626,7.4,50.9,464,0,1,3,5,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"PHENOL, 2-(5-CHLORO-2H-BENZOTRIAZOL-2-YL)-6-(1,1-DIMETHYLETHYL)-4-METHYL-",003896-11-5,62531,2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenol,CC1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)O)C(C)(C)C,"InChI=1S/C17H18ClN3O/c1-10-7-12(17(2,3)4)16(22)15(8-10)21-19-13-6-5-11(18)9-14(13)20-21/h5-9,22H,1-4H3",OCWYEMOEOGEQAN-UHFFFAOYSA-N,C17H18ClN3O,315.8,315.1138399,5.6,50.9,400,0,1,3,2,22,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 2-(2H-BENZOTRIAZOL-2-YL)-4-(1,1,3,3-TETRAMETHYLBUTYL)-",003147-75-9,62485,"2-(benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol",CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2,"InChI=1S/C20H25N3O/c1-19(2,3)13-20(4,5)14-10-11-18(24)17(12-14)23-21-15-8-6-7-9-16(15)22-23/h6-12,24H,13H2,1-5H3",IYAZLDLPUNDVAG-UHFFFAOYSA-N,C20H25N3O,323.4,323.1997624,7.3,50.9,417,0,1,3,4,24,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEPROPANOIC ACID, 3-(2H-BENZOTRIAZOL-2-YL)-5-(1,1-DIMETHYLETHYL)-4-HYDROX",084268-33-7,93481,methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate,CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)OC)N2N=C3C=CC=CC3=N2)O,"InChI=1S/C20H23N3O3/c1-20(2,3)14-11-13(9-10-18(24)26-4)12-17(19(14)25)23-21-15-7-5-6-8-16(15)22-23/h5-8,11-12,25H,9-10H2,1-4H3",UJRDRFZCRQNLJM-UHFFFAOYSA-N,C20H23N3O3,353.4,353.1739416,4.7,77.2,479,0,1,5,6,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"4(3H)-Quinazolinone, 3-amino-",14663-46-8,63125,3-aminoquinazolin-4-one,C1=CC=C2C(=C1)C(=O)N(C=N2)N,"InChI=1S/C8H7N3O/c9-11-5-10-7-4-2-1-3-6(7)8(11)12/h1-5H,9H2",XZRJWCFKYOZVIH-UHFFFAOYSA-N,C8H7N3O,161.16,161.0589119,-0.1,58.7,226,0,1,3,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4(3H)-Quinazolinone, 6-chloro-",16064-14-5,135402273,6-chloro-3H-quinazolin-4-one,C1=CC2=C(C=C1Cl)C(=O)NC=N2,"InChI=1S/C8H5ClN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,(H,10,11,12)",GOBVWEUSCRFCPB-UHFFFAOYSA-N,C8H5ClN2O,180.59,180.0090405,1.3,41.5,229,0,1,2,0,12,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4(1H)-Quinazolinone, 2-amino-",20198-19-0,135403814,2-amino-3H-quinazolin-4-one,C1=CC=C2C(=C1)C(=O)NC(=N2)N,"InChI=1S/C8H7N3O/c9-8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4H,(H3,9,10,11,12)",SDTFBAXSPXZDKC-UHFFFAOYSA-N,C8H7N3O,161.16,161.0589119,0.1,67.5,236,0,2,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6-Quinazolinesulfonamide, 3,4-dihydro-4-oxo-",,135854972,4-oxo-3H-quinazoline-6-sulfonamide,C1=CC2=C(C=C1S(=O)(=O)N)C(=O)NC=N2,"InChI=1S/C8H7N3O3S/c9-15(13,14)5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,(H2,9,13,14)(H,10,11,12)",WZJDEHJENWRSLY-UHFFFAOYSA-N,C8H7N3O3S,225.23,225.0208123,-0.7,110,398,0,2,5,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4(3H)-Quinazolinone, 6-amino-3-methyl-",,706122,6-amino-3-methylquinazolin-4-one,CN1C=NC2=C(C1=O)C=C(C=C2)N,"InChI=1S/C9H9N3O/c1-12-5-11-8-3-2-6(10)4-7(8)9(12)13/h2-5H,10H2,1H3",PKPUWVULEUYWLR-UHFFFAOYSA-N,C9H9N3O,175.19,175.0745619,0,58.7,251,0,1,3,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4(3H)-Quinazolinone, 6-hydroxy-2-methyl-",,135742243,6-hydroxy-2-methyl-3H-quinazolin-4-one,CC1=NC2=C(C=C(C=C2)O)C(=O)N1,"InChI=1S/C9H8N2O2/c1-5-10-8-3-2-6(12)4-7(8)9(13)11-5/h2-4,12H,1H3,(H,10,11,13)",QMCWCWOPKFEBHC-UHFFFAOYSA-N,C9H8N2O2,176.17,176.0585775,0.3,61.7,262,0,2,3,0,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4(3H)-Quinazolinone, 8-methyl-",,135471300,8-methyl-3H-quinazolin-4-one,CC1=C2C(=CC=C1)C(=O)NC=N2,"InChI=1S/C9H8N2O/c1-6-3-2-4-7-8(6)10-5-11-9(7)12/h2-5H,1H3,(H,10,11,12)",GZRXSFZDLGKFLN-UHFFFAOYSA-N,C9H8N2O,160.17,160.0636629,1.1,41.5,225,0,1,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4(3H)-Quinazolinone,491-36-1,135408753,3H-quinazolin-4-one,C1=CC=C2C(=C1)C(=O)NC=N2,"InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)",QMNUDYFKZYBWQX-UHFFFAOYSA-N,C8H6N2O,146.15,146.0480128,0.7,41.5,200,0,1,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4(3H)-Quinazolinone, 2-methyl-",1769-24-0,135400457,2-methyl-3H-quinazolin-4-one,CC1=NC2=CC=CC=C2C(=O)N1,"InChI=1S/C9H8N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H,1H3,(H,10,11,12)",FIEYHAAMDAPVCH-UHFFFAOYSA-N,C9H8N2O,160.17,160.0636629,0.7,41.5,235,0,1,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4(3H)-Quinazolinone, 6-chloro-2-methyl-",9/8/42,135451982,6-chloro-2-methyl-3H-quinazolin-4-one,CC1=NC2=C(C=C(C=C2)Cl)C(=O)N1,"InChI=1S/C9H7ClN2O/c1-5-11-8-3-2-6(10)4-7(8)9(13)12-5/h2-4H,1H3,(H,11,12,13)",VVMQUCPOLAQEBB-UHFFFAOYSA-N,C9H7ClN2O,194.62,194.0246905,1.3,41.5,264,0,1,2,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4(3H)-Quinazolinone, 6-hydroxy-",,135489577,6-hydroxy-3H-quinazolin-4-one,C1=CC2=C(C=C1O)C(=O)NC=N2,"InChI=1S/C8H6N2O2/c11-5-1-2-7-6(3-5)8(12)10-4-9-7/h1-4,11H,(H,9,10,12)",QJRNXXLTDWMENM-UHFFFAOYSA-N,C8H6N2O2,162.15,162.0429274,0.4,61.7,227,0,2,3,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CYCLONITE,000121-82-4,8490,"1,3,5-trinitro-1,3,5-triazinane",C1N(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2,XTFIVUDBNACUBN-UHFFFAOYSA-N,C3H6N6O6,222.12,222.0348819,1.6,147,229,0,0,9,0,15,"Explodes (NIOSH, 2024)",276-280 °C,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,1
"1,3,5-TRIMETHYLHEXAHYDRO-1,3,5-TRIAZINE",000108-74-7,7952,"1,3,5-trimethyl-1,3,5-triazinane",CN1CN(CN(C1)C)C,"InChI=1S/C6H15N3/c1-7-4-8(2)6-9(3)5-7/h4-6H2,1-3H3",DPMZXMBOYHBELT-UHFFFAOYSA-N,C6H15N3,129.2,129.1265975,0.4,9.7,63,0,0,3,0,9,,,0,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,1,1,1
"1,3,5-TRIETHYLHEXAHYDRO-1,3,5-TRIAZINE",007779-27-3,24512,"1,3,5-triethyl-1,3,5-triazinane",CCN1CN(CN(C1)CC)CC,"InChI=1S/C9H21N3/c1-4-10-7-11(5-2)9-12(6-3)8-10/h4-9H2,1-3H3",XYRTVIAPRQLSOW-UHFFFAOYSA-N,C9H21N3,171.28,171.1735477,1.5,9.7,91,0,0,3,3,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,5-TRI(ISOPROPYL)HEXAHYDRO-1,3,5-TRIAZINE",010556-98-6,25374,"1,3,5-tri(propan-2-yl)-1,3,5-triazinane",CC(C)N1CN(CN(C1)C(C)C)C(C)C,"InChI=1S/C12H27N3/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h10-12H,7-9H2,1-6H3",FBXRCTMIDHCRDT-UHFFFAOYSA-N,C12H27N3,213.36,213.2204979,2.8,9.7,144,0,0,3,3,15,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,5-TRIAZINE, HEXAHYDRO-1,3,5-TRIS(3-METHOXYPROPYL)-",003960-05-2,77574,"1,3,5-tris(3-methoxypropyl)-1,3,5-triazinane",COCCCN1CN(CN(C1)CCCOC)CCCOC,"InChI=1S/C15H33N3O3/c1-19-10-4-7-16-13-17(8-5-11-20-2)15-18(14-16)9-6-12-21-3/h4-15H2,1-3H3",BYWNSSMFBBZKMO-UHFFFAOYSA-N,C15H33N3O3,303.44,303.2521919,1,37.4,194,0,0,6,12,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIAZINETRIETHANOL,004719-04-4,104556,"2-[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol",C1N(CN(CN1CCO)CCO)CCO,"InChI=1S/C9H21N3O3/c13-4-1-10-7-11(2-5-14)9-12(8-10)3-6-15/h13-15H,1-9H2",HUHGPYXAVBJSJV-UHFFFAOYSA-N,C9H21N3O3,219.28,219.1582915,-1.6,70.4,130,0,3,6,6,15,"greater than 200 °F (NTP, 1992)",,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"HEXAHYDRO-2,4,6-TRIMETHYL-1,3,5-TRIAZINE TRIHYDRATE",058052-80-5,2723814,"2,4,6-trimethyl-1,3,5-triazinane;trihydrate",CC1NC(NC(N1)C)C.O.O.O,"InChI=1S/C6H15N3.3H2O/c1-4-7-5(2)9-6(3)8-4;;;/h4-9H,1-3H3;3*1H2",VNJBGAOFYNEMRG-UHFFFAOYSA-N,C6H21N3O3,183.25,183.1582915,,39.1,63,0,6,6,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"s-Triazine, hexahydro-1,3,5-trinitroso-",13980-04-6,26368,"1,3,5-trinitroso-1,3,5-triazinane",C1N(CN(CN1N=O)N=O)N=O,InChI=1S/C3H6N6O3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H2,HFWOSHMLDRSIDN-UHFFFAOYSA-N,C3H6N6O3,174.12,174.0501381,0.2,98,151,0,0,9,0,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,5-TRIACRYLOYLHEXAHYDRO-1,3,5-TRIAZINE",000959-52-4,70397,"1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one",C=CC(=O)N1CN(CN(C1)C(=O)C=C)C(=O)C=C,"InChI=1S/C12H15N3O3/c1-4-10(16)13-7-14(11(17)5-2)9-15(8-13)12(18)6-3/h4-6H,1-3,7-9H2",FYBFGAFWCBMEDG-UHFFFAOYSA-N,C12H15N3O3,249.27,249.1113414,0.6,60.9,343,0,0,3,3,18,,,0,1,1,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0
"2,4,4-TRIMETHYL-2-OXAZOLINE",001772-43-6,74496,"2,4,4-trimethyl-5H-1,3-oxazole",CC1=NC(CO1)(C)C,"InChI=1S/C6H11NO/c1-5-7-6(2,3)4-8-5/h4H2,1-3H3",HZRZMHNRCSIQFT-UHFFFAOYSA-N,C6H11NO,113.16,113.084064,0.4,21.6,126,0,0,2,0,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
2-METHYL-2-OXAZOLINE,001120-64-5,70713,"2-methyl-4,5-dihydro-1,3-oxazole",CC1=NCCO1,"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3",GUXJXWKCUUWCLX-UHFFFAOYSA-N,C4H7NO,85.1,85.05276385,-0.2,21.6,77,0,0,2,0,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
4-HEPTADECENYL-4-ETHYL-2-OXAZOLINE-4-METHANOL,068140-98-7,56842850,"[4-ethyl-2-[(Z)-heptadec-8-enyl]-5H-1,3-oxazol-4-yl]methanol",CCCCCCCC/C=C\CCCCCCCC1=NC(CO1)(CC)CO,"InChI=1S/C23H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-24-23(4-2,20-25)21-26-22/h11-12,25H,3-10,13-21H2,1-2H3/b12-11-",FYWZXBFLSZJILE-QXMHVHEDSA-N,C23H43NO2,365.6,365.3293796,7.3,41.8,392,0,1,3,17,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"4,5-DIHYDRO-BETA-METHYL-2-OXAZOLEETHANOL",013670-31-0,114555,"2-(4,5-dihydro-1,3-oxazol-2-yl)propan-1-ol",CC(CO)C1=NCCO1,"InChI=1S/C6H11NO2/c1-5(4-8)6-7-2-3-9-6/h5,8H,2-4H2,1H3",SWYMJLYPXAXHBJ-UHFFFAOYSA-N,C6H11NO2,129.16,129.0789786,-0.4,41.8,122,0,1,3,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-HEPTADECENYL-4,4(5H)-OXAZOLEDIMETHANOL",028984-69-2,19866065,"[2-[(E)-heptadec-1-enyl]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol",CCCCCCCCCCCCCCC/C=C/C1=NC(CO1)(CO)CO,"InChI=1S/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-23-22(18-24,19-25)20-26-21/h16-17,24-25H,2-15,18-20H2,1H3/b17-16+",XOIFQOFMUVENJH-WUKNDPDISA-N,C22H41NO3,367.6,367.3086442,6.6,62.1,389,0,2,4,17,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-ETHYL-2-OXAZOLINE,010431-98-8,66412,"2-ethyl-4,5-dihydro-1,3-oxazole",CCC1=NCCO1,"InChI=1S/C5H9NO/c1-2-5-6-3-4-7-5/h2-4H2,1H3",NYEZZYQZRQDLEH-UHFFFAOYSA-N,C5H9NO,99.13,99.06841391,0.3,21.6,88,0,0,2,1,7,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"OXAZOLE, 4,5-DIHYDRO-2-(1-METHYLETHENYL)-",010471-78-0,82651,"2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole",CC(=C)C1=NCCO1,"InChI=1S/C6H9NO/c1-5(2)6-7-3-4-8-6/h1,3-4H2,2H3",LPIQIQPLUVLISR-UHFFFAOYSA-N,C6H9NO,111.14,111.0684139,0.8,21.6,137,0,0,2,1,8,,,1,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-Oxazoline, 4,4-dimethyl-2-undecyl-",46921-17-9,95103,"4,4-dimethyl-2-undecyl-5H-1,3-oxazole",CCCCCCCCCCCC1=NC(CO1)(C)C,"InChI=1S/C16H31NO/c1-4-5-6-7-8-9-10-11-12-13-15-17-16(2,3)14-18-15/h4-14H2,1-3H3",FREPJBZLNPPGDM-UHFFFAOYSA-N,C16H31NO,253.42,253.2405646,5.6,21.6,245,0,0,2,10,18,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
TRIMETHYLENE OXIDE,000503-30-0,10423,oxetane,C1COC1,InChI=1S/C3H6O/c1-2-4-3-1/h1-3H2,AHHWIHXENZJRFG-UHFFFAOYSA-N,C3H6O,58.08,58.04186481,-0.1,9.2,17,0,0,1,0,4,"-19 °F (NTP, 1992)","122 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"OXETANE, 3,3-BIS(BROMOMETHYL)-",002402-83-7,75464,"3,3-bis(bromomethyl)oxetane",C1C(CO1)(CBr)CBr,InChI=1S/C5H8Br2O/c6-1-5(2-7)3-8-4-5/h1-4H2,QOPMHMFIIMJWET-UHFFFAOYSA-N,C5H8Br2O,243.92,243.89214,1.5,9.2,74,0,0,1,2,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"3-OXETANEMETHANOL, 3-ETHYL-, POLYMER WITH 1,6-DIISOCYANATOHEXANE AND OXIRANE",110720-67-7,11521066,oxetan-3-ylmethanol,C1C(CO1)CO,"InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2",SWYHWLFHDVMLHO-UHFFFAOYSA-N,C4H8O2,88.11,88.05242949,-0.6,29.5,40,0,1,2,1,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3-BIS(CHLOROMETHYL)-OXETANE",000078-71-7,6550,"3,3-bis(chloromethyl)oxetane",C1C(CO1)(CCl)CCl,InChI=1S/C5H8Cl2O/c6-1-5(2-7)3-8-4-5/h1-4H2,CXURGFRDGROIKG-UHFFFAOYSA-N,C5H8Cl2O,155.02,153.9952203,1.1,9.2,74,0,0,1,2,8,,"217 °F at 30 mmHg (EPA, 1998)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-OXETANEMETHANOL, 3-ETHYL-",003047-32-3,76444,(3-ethyloxetan-3-yl)methanol,CCC1(COC1)CO,"InChI=1S/C6H12O2/c1-2-6(3-7)4-8-5-6/h7H,2-5H2,1H3",UNMJLQGKEDTEKJ-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,0.2,29.5,76,0,1,2,2,8,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"Butane, 1,3-epoxy-",2167-39-7,16565,2-methyloxetane,CC1CCO1,"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3",FZIIBDOXPQOKBP-UHFFFAOYSA-N,C4H8O,72.11,72.05751487,0.6,9.2,34,0,0,1,0,5,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Oxetane, 3-(chloromethyl)-3-ethyl-",2177-22-2,16586,3-(chloromethyl)-3-ethyloxetane,CCC1(COC1)CCl,"InChI=1S/C6H11ClO/c1-2-6(3-7)4-8-5-6/h2-5H2,1H3",UKLWXKWTXHHMFK-UHFFFAOYSA-N,C6H11ClO,134.6,134.0498427,1.5,9.2,78,0,0,1,2,8,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Propane, 1,3-epoxy-2,2-dimethyl-",6921-35-3,23352,"3,3-dimethyloxetane",CC1(COC1)C,"InChI=1S/C5H10O/c1-5(2)3-6-4-5/h3-4H2,1-2H3",RVGLUKRYMXEQAH-UHFFFAOYSA-N,C5H10O,86.13,86.07316494,1,9.2,51,0,0,1,0,6,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"3-Oxetanemethylamine, N-methyl-3-((p-nitrophenoxy)methyl)-, maleate",,46840007,oxetan-3-ylmethanamine,C1C(CO1)CN,"InChI=1S/C4H9NO/c5-1-4-2-6-3-4/h4H,1-3,5H2",KTHZBRAXOLUNBN-UHFFFAOYSA-N,C4H9NO,87.12,87.06841391,-0.8,35.3,42,0,1,2,1,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Oxetane, 3-(chloromethyl)-3-methyl-",822-48-0,79112,3-(chloromethyl)-3-methyloxetane,CC1(COC1)CCl,"InChI=1S/C5H9ClO/c1-5(2-6)3-7-4-5/h2-4H2,1H3",MCZYEFODKAZWIH-UHFFFAOYSA-N,C5H9ClO,120.58,120.0341926,1.1,9.2,68,0,0,1,1,7,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANE, METHYLENE-",001192-37-6,14502,methylidenecyclohexane,C=C1CCCCC1,InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h1-6H2,YULMNMJFAZWLLN-UHFFFAOYSA-N,C7H12,96.17,96.09390038,2.6,0,64,0,0,0,0,7,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
BROMOMETHYLENECYCLOHEXANE,001121-49-9,565381,bromomethylidenecyclohexane,C1CCC(=CBr)CC1,"InChI=1S/C7H11Br/c8-6-7-4-2-1-3-5-7/h6H,1-5H2",OVYGOCFMWWWMBP-UHFFFAOYSA-N,C7H11Br,175.07,174.00441,3,0,86,0,0,0,0,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANOL, 1-METHYL-4-(1-METHYLETHYLIDENE)-",000586-81-2,11467,1-methyl-4-propan-2-ylidenecyclohexan-1-ol,CC(=C1CCC(CC1)(C)O)C,"InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h11H,4-7H2,1-3H3",NNRLDGQZIVUQTE-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,2.1,20.2,165,0,1,1,0,11,,218.00 to 219.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-BUTEN-2-ONE, 4-(2,2-DIMETHYL-6-METHYLENECYCLOHEXYL)-",000079-76-5,5363741,"(E)-4-(2,2-dimethyl-6-methylidenecyclohexyl)but-3-en-2-one",CC(=O)/C=C/C1C(=C)CCCC1(C)C,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,12H,1,5-6,9H2,2-4H3/b8-7+",SFEOKXHPFMOVRM-BQYQJAHWSA-N,C13H20O,192.3,192.1514153,3.2,17.1,271,0,0,1,2,14,,267.00 to 268.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-BUTANONE, 4-(2,2-DIMETHYL-6-METHYLENECYCLOHEXYL)-",013720-12-2,114558,"4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-2-one",CC(=O)CCC1C(=C)CCCC1(C)C,"InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h12H,1,5-9H2,2-4H3",ZLPHULOLXDKCND-UHFFFAOYSA-N,C13H22O,194.31,194.1670653,3.1,17.1,238,0,0,1,3,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-BUTEN-2-ONE, 4-(2,2-DIMETHYL-6-METHYLENECYCLOHEXYL)-3-METHYL-",007388-22-9,110981,"4-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylbut-3-en-2-one",CC(=CC1C(=C)CCCC1(C)C)C(=O)C,"InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9,13H,1,6-8H2,2-5H3",YQUFLLFXOARBNW-UHFFFAOYSA-N,C14H22O,206.32,206.1670653,3.6,17.1,307,0,0,1,2,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclohexane, ethylidene-",1003-64-1,13856,ethylidenecyclohexane,CC=C1CCCCC1,"InChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h2H,3-7H2,1H3",BPBOWYWUOUJKLO-UHFFFAOYSA-N,C8H14,110.2,110.1095504,2.8,0,82,0,0,0,0,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
CYCLOHEXENE OXIDE,000286-20-4,9246,7-oxabicyclo[4.1.0]heptane,C1CCC2C(C1)O2,"InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2",ZWAJLVLEBYIOTI-UHFFFAOYSA-N,C6H10O,98.14,98.07316494,1.2,12.5,70,0,0,1,0,7,81 °C CC,129-130 °C,0,1,1,1,0,0,0,1,1,0,1,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 2-METNYL-, 7-OXABICYCLO[4.1.0]HEPT-3-YLMETHYL ESTER",082428-30-6,121494101,"[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]methyl 2-methylprop-2-enoate",CC(=C)C(=O)OCC1CC[C@@H]2[C@H](C1)O2,"InChI=1S/C11H16O3/c1-7(2)11(12)13-6-8-3-4-9-10(5-8)14-9/h8-10H,1,3-6H2,2H3/t8?,9-,10+/m1/s1",FYYIUODUDSPAJQ-XVBQNVSMSA-N,C11H16O3,196.24,196.1099444,1.9,38.8,259,0,0,3,4,14,,,0,1,0,0,0,0,1,1,0,0,1,0,0,0,0,0,1,1,0,0
"7-OXABICYCLO[4.1.0]HEPTANE, 1-METHYL-4-(1-METHYLETHENYL)-",001195-92-2,91496,1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane,CC(=C)C1CCC2(C(C1)O2)C,"InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3",CCEFMUBVSUDRLG-UHFFFAOYSA-N,C10H16O,152.23,152.1201151,2.5,12.5,197,0,0,1,1,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,1
"2-(3,4-EPOXYCYCLOHEXYL)ETHYLTRIMETHOXYSILANE",003388-04-3,18819,trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane,CO[Si](CCC1CCC2C(C1)O2)(OC)OC,"InChI=1S/C11H22O4Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10/h9-11H,4-8H2,1-3H3",DQZNLOXENNXVAD-UHFFFAOYSA-N,C11H22O4Si,246.37,246.1287357,,40.2,224,0,0,4,6,16,,,0,0,0,0,0,1,1,0,0,0,1,0,0,0,0,0,0,1,0,0
"7-OXABICYCLO[4.1.0]HEPTANE-3-CARBOXYLIC ACID, 2-ETHYLHEXYL ESTER",062256-00-2,112475,2-ethylhexyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate,CCCCC(CC)COC(=O)C1CCC2C(C1)O2,"InChI=1S/C15H26O3/c1-3-5-6-11(4-2)10-17-15(16)12-7-8-13-14(9-12)18-13/h11-14H,3-10H2,1-2H3",ABAMRJVWDHJBTI-UHFFFAOYSA-N,C15H26O3,254.36,254.1881947,3.8,38.8,277,0,0,3,8,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BETA-(3,4-EPOXYCYCLOHEXYL)ETHYLTRIETHOXYSILANE)",010217-34-2,154915,triethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane,CCO[Si](CCC1CCC2C(C1)O2)(OCC)OCC,"InChI=1S/C14H28O4Si/c1-4-15-19(16-5-2,17-6-3)10-9-12-7-8-13-14(11-12)18-13/h12-14H,4-11H2,1-3H3",UDUKMRHNZZLJRB-UHFFFAOYSA-N,C14H28O4Si,288.45,288.1756859,,40.2,257,0,0,4,9,19,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-PROPENOIC ACID, 7-OXABICYCLO[4.1.0]HEPT-3-YLMETHYL ESTER",064630-63-3,12860205,7-oxabicyclo[4.1.0]heptan-3-ylmethyl prop-2-enoate,C=CC(=O)OCC1CCC2C(C1)O2,"InChI=1S/C10H14O3/c1-2-10(11)12-6-7-3-4-8-9(5-7)13-8/h2,7-9H,1,3-6H2",DPTGFYXXFXSRIR-UHFFFAOYSA-N,C10H14O3,182.22,182.0942943,1.6,38.8,224,0,0,3,4,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"7-Oxabicyclo(4.1.0)heptane-3-carboxylic acid, 4-methyl-, allyl ester",10138-39-3,98298,prop-2-enyl 4-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate,CC1CC2C(O2)CC1C(=O)OCC=C,"InChI=1S/C11H16O3/c1-3-4-13-11(12)8-6-10-9(14-10)5-7(8)2/h3,7-10H,1,4-6H2,2H3",SZOBRFMKKNAYTL-UHFFFAOYSA-N,C11H16O3,196.24,196.1099444,1.8,38.8,249,0,0,3,4,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CONDURITOL B EPOXIDE,006090-95-5,119054,"(1S,2R,3S,4S,5R,6R)-7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol",[C@@H]1([C@@H]([C@H]([C@H]2[C@@H]([C@@H]1O)O2)O)O)O,"InChI=1S/C6H10O5/c7-1-2(8)4(10)6-5(11-6)3(1)9/h1-10H/t1-,2-,3+,4+,5-,6+/m0/s1",ZHMWOVGZCINIHW-FTYOSCRSSA-N,C6H10O5,162.14,162.0528234,-2.7,93.5,154,0,4,5,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-ETHENYLHEXAHYDRO-2H-AZEPIN-2-ONE,002235-00-9,75227,1-ethenylazepan-2-one,C=CN1CCCCCC1=O,"InChI=1S/C8H13NO/c1-2-9-7-5-3-4-6-8(9)10/h2H,1,3-7H2",JWYVGKFDLWWQJX-UHFFFAOYSA-N,C8H13NO,139.19,139.099714,1.1,20.3,142,0,0,1,1,10,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,1
CAPROLACTAM,000105-60-2,7768,azepan-2-one,C1CCC(=O)NCC1,"InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)",JBKVHLHDHHXQEQ-UHFFFAOYSA-N,C6H11NO,113.16,113.084064,-0.1,29.1,90,0,1,1,0,8,"257 °F (NTP, 1992)","512.4 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-AZEPIN-2-ONE, 3-AMINOHEXAHYDRO-",000671-42-1,102463,3-aminoazepan-2-one,C1CCNC(=O)C(C1)N,"InChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)",BOWUOGIPSRVRSJ-UHFFFAOYSA-N,C6H12N2O,128.17,128.094963,-0.5,55.1,114,0,2,2,0,9,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-Azepin-2-one, hexahydro-N-methyl-",2556-73-2,17369,1-methylazepan-2-one,CN1CCCCCC1=O,"InChI=1S/C7H13NO/c1-8-6-4-2-3-5-7(8)9/h2-6H2,1H3",ZWXPDGCFMMFNRW-UHFFFAOYSA-N,C7H13NO,127.18,127.099714,0.2,20.3,111,0,0,1,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-Azepin-2-one, hexahydro-1-ethyl-",19797-08-1,29779,1-ethylazepan-2-one,CCN1CCCCCC1=O,"InChI=1S/C8H15NO/c1-2-9-7-5-3-4-6-8(9)10/h2-7H2,1H3",GWCFTYITFDWLAY-UHFFFAOYSA-N,C8H15NO,141.21,141.1153641,0.7,20.3,122,0,0,1,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2H-Azepin-2-one, hexahydro-N-lauryl-",59227-89-3,42981,1-dodecylazepan-2-one,CCCCCCCCCCCCN1CCCCCC1=O,"InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-13-16-19-17-14-11-12-15-18(19)20/h2-17H2,1H3",AXTGDCSMTYGJND-UHFFFAOYSA-N,C18H35NO,281.5,281.2718647,5.9,20.3,240,0,0,1,11,20,,160 °C at 50  mm Hg,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-AZEPIN-2-ONE, HEXAHYDRO-1-(HYDROXYMETHYL)-",013088-64-7,83127,1-(hydroxymethyl)azepan-2-one,C1CCC(=O)N(CC1)CO,"InChI=1S/C7H13NO2/c9-6-8-5-3-1-2-4-7(8)10/h9H,1-6H2",QBUDWHWPQWURCC-UHFFFAOYSA-N,C7H13NO2,143.18,143.0946287,0.2,40.5,125,0,1,2,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, DIPENTYL-, HYDROGEN PHOSPHATE",064051-38-3,116456,"bis(2,3-dipentylphenyl) hydrogen phosphate",CCCCCC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC(=C2CCCCC)CCCCC)CCCCC,"InChI=1S/C32H51O4P/c1-5-9-13-19-27-21-17-25-31(29(27)23-15-11-7-3)35-37(33,34)36-32-26-18-22-28(20-14-10-6-2)30(32)24-16-12-8-4/h17-18,21-22,25-26H,5-16,19-20,23-24H2,1-4H3,(H,33,34)",AVDUUCITKNRPLE-UHFFFAOYSA-N,C32H51O4P,530.7,530.3524971,12.3,55.8,564,0,1,4,20,37,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,1,1,0,0
BIS(4-NITROPHENYL) HYDROGEN PHOSPHATE,000645-15-8,255,bis(4-nitrophenyl) hydrogen phosphate,C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)OC2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20)",MHSVUSZEHNVFKW-UHFFFAOYSA-N,C12H9N2O8P,340.18,340.0096523,1,147,434,0,1,8,4,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHORIC ACID, DIPHENYL ESTER",000838-85-7,13282,diphenyl hydrogen phosphate,C1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2,"InChI=1S/C12H11O4P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,13,14)",ASMQGLCHMVWBQR-UHFFFAOYSA-N,C12H11O4P,250.19,250.0394958,1.4,55.8,246,0,1,4,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-ETHYLHEXYL DIPHENYL PHOSPHATE,001241-94-7,14716,2-ethylhexyl diphenyl phosphate,CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2,"InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3",CGSLYBDCEGBZCG-UHFFFAOYSA-N,C20H27O4P,362.4,362.1646963,6.3,44.8,365,0,0,4,11,25,224 °C (435 °F) (Open cup),375 °C,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHORIC ACID, ISODECYL DIPHENYL ESTER",029761-21-5,34697,8-methylnonyl diphenyl phosphate,CC(C)CCCCCCCOP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2,"InChI=1S/C22H31O4P/c1-20(2)14-8-4-3-5-13-19-24-27(23,25-21-15-9-6-10-16-21)26-22-17-11-7-12-18-22/h6-7,9-12,15-18,20H,3-5,8,13-14,19H2,1-2H3",RYUJRXVZSJCHDZ-UHFFFAOYSA-N,C22H31O4P,390.5,390.1959965,7.4,44.8,391,0,0,4,13,27,"greater than 200 °F (NTP, 1992)","Decomposes (NTP, 1992)",0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 4-(1,1-DIMETHYLETHYL)-, HYDROGEN PHOSPHATE",021150-89-0,82671,bis(4-tert-butylphenyl) hydrogen phosphate,CC(C)(C)C1=CC=C(C=C1)OP(=O)(O)OC2=CC=C(C=C2)C(C)(C)C,"InChI=1S/C20H27O4P/c1-19(2,3)15-7-11-17(12-8-15)23-25(21,22)24-18-13-9-16(10-14-18)20(4,5)6/h7-14H,1-6H3,(H,21,22)",NMZURFAPYNEBQQ-UHFFFAOYSA-N,C20H27O4P,362.4,362.1646963,4.7,55.8,421,0,1,4,6,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORIC ACID, DODECYL DIPHENYL ESTER",027460-02-2,117982,dodecyl diphenyl phosphate,CCCCCCCCCCCCOP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2,"InChI=1S/C24H35O4P/c1-2-3-4-5-6-7-8-9-10-17-22-26-29(25,27-23-18-13-11-14-19-23)28-24-20-15-12-16-21-24/h11-16,18-21H,2-10,17,22H2,1H3",DLZXXNAEQGRWPX-UHFFFAOYSA-N,C24H35O4P,418.5,418.2272966,8.7,44.8,407,0,0,4,16,29,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
MERCURY CYCLOHEXANEBUTYRATE,062638-02-2,112899,bis(4-cyclohexylbutanoate);mercury(2+),C1CCC(CC1)CCCC(=O)[O-].C1CCC(CC1)CCCC(=O)[O-].[Hg+2],"InChI=1S/2C10H18O2.Hg/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2",XYZSHUAZLIDRHS-UHFFFAOYSA-L,C20H34HgO4,539.1,540.216353,,80.3,131,0,0,4,6,25,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
LEAD CYCLOHEXANEBUTYRATE,062637-99-4,112896,bis(4-cyclohexylbutanoate);lead(2+),C1CCC(CC1)CCCC(=O)[O-].C1CCC(CC1)CCCC(=O)[O-].[Pb+2],"InChI=1S/2C10H18O2.Pb/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2",CCJZHCZMNGUOCA-UHFFFAOYSA-L,C20H34O4Pb,546,546.22236,,80.3,131,0,0,4,6,25,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
BARIUM CYCLOHEXANEBUTYRATE (1:2),062669-65-2,112911,barium(2+);bis(4-cyclohexylbutanoate),C1CCC(CC1)CCCC(=O)[O-].C1CCC(CC1)CCCC(=O)[O-].[Ba+2],"InChI=1S/2C10H18O2.Ba/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2",NFAVTTVOXXCARJ-UHFFFAOYSA-L,C20H34BaO4,475.8,476.150957,,80.3,131,0,0,4,6,25,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
OCTYLPHENYLPOLYETHYLENE GLYCOL,123359-41-1,16211927,"2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,5,5-trimethylhexan-2-yl)cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,5,5-trimethylhexan-2-yl)cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol",CC(C)(C)CCC(C)(C)C1CCC(CC1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO.CC(C)(C)CCC(C)(C)C1CCC(CC1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,"InChI=1S/C35H70O11.C33H66O10/c1-34(2,3)10-11-35(4,5)32-6-8-33(9-7-32)46-31-30-45-29-28-44-27-26-43-25-24-42-23-22-41-21-20-40-19-18-39-17-16-38-15-14-37-13-12-36;1-32(2,3)10-11-33(4,5)30-6-8-31(9-7-30)43-29-28-42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34/h32-33,36H,6-31H2,1-5H3;30-31,34H,6-29H2,1-5H3",FLXVMMNBMSGKSP-UHFFFAOYSA-N,C68H136O21,1289.8,1288.957411,,216,1230,0,2,21,65,89,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexanesulfamic acid, calcium salt (2:1)",000139-06-0,8752,calcium bis(N-cyclohexylsulfamate),C1CCC(CC1)NS(=O)(=O)[O-].C1CCC(CC1)NS(=O)(=O)[O-].[Ca+2],"InChI=1S/2C6H13NO3S.Ca/c2*8-11(9,10)7-6-4-2-1-3-5-6;/h2*6-7H,1-5H2,(H,8,9,10);/q;;+2/p-2",UKLJMHXGZUJRTL-UHFFFAOYSA-L,C12H24CaN2O6S2,396.5,396.0701697,,155,187,0,2,8,2,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NICKEL CYCLOHEXANEBUTYRATE,003906-55-6,77985,bis(4-cyclohexylbutanoate);nickel(2+),C1CCC(CC1)CCCC(=O)[O-].C1CCC(CC1)CCCC(=O)[O-].[Ni+2],"InChI=1S/2C10H18O2.Ni/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2",LSLSVVJPMABPLC-UHFFFAOYSA-L,C20H34NiO4,397.2,396.181051,,80.3,131,0,0,4,6,25,,,1,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,0,1,1,0
COBALT CYCLOHEXANEBUTYRATE,038582-17-1,161971,cobalt(2+);bis(4-cyclohexylbutanoate),C1CCC(CC1)CCCC(=O)[O-].C1CCC(CC1)CCCC(=O)[O-].[Co+2],"InChI=1S/2C10H18O2.Co/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2",YBXHPSXGXLGNBR-UHFFFAOYSA-L,C20H34CoO4,397.4,397.178903,,80.3,131,0,0,4,6,25,,,1,0,0,0,0,1,1,0,0,0,1,0,0,1,1,0,0,1,0,0
"Trichothec-9-ene-3-alpha,4-beta,15-triol, 12,13-epoxy-, 4,15-diacetate",002270-40-8,15571694,"[(1S,2R,7R,9R,10R,11S,12S)-11-acetyloxy-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate",CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C,"InChI=1S/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(22)15(25-12(3)21)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3/t13-,14-,15-,16-,17-,18-,19+/m1/s1",AUGQEEXBDZWUJY-NMAPUUFXSA-N,C19H26O7,366.4,366.1678532,0.2,94.6,687,0,1,7,5,26,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Trichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol, 12,13-epoxy-, 4,15-diacetat",021259-20-1,5284461,"[(1S,2R,4S,7R,9R,10R,11S,12S)-11-acetyloxy-2-(acetyloxymethyl)-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate",CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C,"InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3/t16-,17+,19+,20+,21+,22+,23+,24-/m0/s1",BXFOFFBJRFZBQZ-QYWOHJEZSA-N,C24H34O9,466.5,466.2202827,0.9,121,881,0,1,9,9,33,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 4-acetate, (3-alpha,4-beta)-",11/5/31,21117975,"[(1S,2R,7R,9R,10R,11S,12S)-10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate",CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)COC(=O)C,"InChI=1S/C17H24O6/c1-9-4-5-16(7-21-10(2)18)11(6-9)23-14-12(19)13(20)15(16,3)17(14)8-22-17/h6,11-14,19-20H,4-5,7-8H2,1-3H3/t11-,12-,13-,14-,15-,16-,17+/m1/s1",IRXDUBNENLKYTC-OINWIYPRSA-N,C17H24O6,324.4,324.1572885,-0.4,88.5,588,0,2,6,3,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Trichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol, 12,13-epoxy-, 15-acetate, 8-isovalerate",26934-87-2,10093830,"[(1S,2R,4S,7R,9R,10R,11S,12S)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate",CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)COC(=O)C,"InChI=1S/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22-/m0/s1",PNKLMTPXERFKEN-MLXHEQMXSA-N,C22H32O8,424.5,424.209718,0.4,115,777,0,2,8,7,30,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Trichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol, 12,13-epoxy-, 4,15-diacetate",36519-25-2,13818797,"[(1S,2R,4S,7R,9R,10R,11S,12S)-11-acetyloxy-4,10-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate",CC1=C[C@@H]2[C@](C[C@@H]1O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C,"InChI=1S/C19H26O8/c1-9-5-13-18(6-12(9)22,7-24-10(2)20)17(4)15(26-11(3)21)14(23)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3/t12-,13+,14+,15+,16+,17+,18+,19-/m0/s1",TVZHDVCTOCZDNE-WVJYZQHISA-N,C19H26O8,382.4,382.1627678,-0.9,115,718,0,2,8,5,27,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Trichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol, 12,13-epoxy-, tetracetate",65725-06-6,13992160,"[(1S,2R,4S,7R,9R,10R,11S,12S)-4,10,11-triacetyloxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate",CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)OC(=O)C)C)COC(=O)C,"InChI=1S/C23H30O10/c1-11-7-17-22(9-28-12(2)24,8-16(11)30-13(3)25)21(6)19(32-15(5)27)18(31-14(4)26)20(33-17)23(21)10-29-23/h7,16-20H,8-10H2,1-6H3/t16-,17+,18+,19+,20+,21+,22+,23-/m0/s1",GSLBJZJTYRGQOS-BHWGPCQFSA-N,C23H30O10,466.5,466.1838972,0.2,127,926,0,0,10,9,33,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Trichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol, 12,13-epoxy-, 8-isovalerate",34114-98-2,13797589,"[(1S,2R,4S,7R,9R,10R,11S,12S)-10,11-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate",CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)CO,"InChI=1S/C20H30O7/c1-10(2)5-14(22)26-12-7-19(8-21)13(6-11(12)3)27-17-15(23)16(24)18(19,4)20(17)9-25-20/h6,10,12-13,15-17,21,23-24H,5,7-9H2,1-4H3/t12-,13+,15+,16+,17+,18+,19+,20-/m0/s1",DDAUKBBLCGQHIP-CAVDVMKYSA-N,C20H30O7,382.4,382.1991533,-0.2,109,675,0,3,7,5,27,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Trichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol, 12,13-epoxy-",34114-99-3,9904331,"(1S,2R,4S,7R,9R,10R,11S,12S)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4,10,11-triol",CC1=C[C@@H]2[C@](C[C@@H]1O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)CO,"InChI=1S/C15H22O6/c1-7-3-9-14(5-16,4-8(7)17)13(2)11(19)10(18)12(21-9)15(13)6-20-15/h3,8-12,16-19H,4-6H2,1-2H3/t8-,9+,10+,11+,12+,13+,14+,15-/m0/s1",ZAXZBJSXSOISTF-LYFQSNBGSA-N,C15H22O6,298.33,298.1416384,-2.1,103,520,0,4,6,1,21,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"PHORBOL 12,13-DIBUTYRATE",037558-16-0,37783,"[(1S,2S,6R,10S,11R,13S,14R,15R)-13-butanoyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] butanoate",CCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)CCC)O)C,"InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22-,24-,26-,27-,28-/m1/s1",BQJRUJTZSGYBEZ-YVQNUNKESA-N,C28H40O8,504.6,504.2723182,2,130,1030,0,3,8,9,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHORBOL 12-MYRISTATE-13-ACETATE,016561-29-8,27924,"[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate",CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)C)O)C,"InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30-,32-,34-,35-,36-/m1/s1",PHEDXBVPIONUQT-RGYGYFBISA-N,C36H56O8,616.8,616.3975187,6.5,130,1150,0,3,8,17,44,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Tetradecanoic acid, 1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b,9a-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester,(1aR-(1a-alpha,1b-beta,4a-beta,7a-alpha,7b-alpha,8-alpha,9-beta,9a-alpha))-",20839-06-9,107854,"[(1S,2S,6R,10S,11R,13S,14R,15R)-1,6,13-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate",CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)O)O)C,"InChI=1S/C34H54O7/c1-6-7-8-9-10-11-12-13-14-15-16-17-27(36)41-30-23(3)33(39)25(28-31(4,5)34(28,30)40)19-24(21-35)20-32(38)26(33)18-22(2)29(32)37/h18-19,23,25-26,28,30,35,38-40H,6-17,20-21H2,1-5H3/t23-,25+,26-,28-,30-,32-,33-,34-/m1/s1",XLCISDOVNFLSGO-VONOSFMSSA-N,C34H54O7,574.8,574.3869541,6,124,1050,0,4,7,15,41,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,16-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-4a-beta,7b-alpha,9-beta,9a-alpha-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-alpha-tetramethyl-, 9,9a-diacetate, (+)",24928-15-2,72293,"[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] acetate",C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C)OC(=O)C,"InChI=1S/C24H32O8/c1-11-7-17-22(29,19(11)28)9-15(10-25)8-16-18-21(5,6)24(18,32-14(4)27)20(31-13(3)26)12(2)23(16,17)30/h7-8,12,16-18,20,25,29-30H,9-10H2,1-6H3/t12-,16+,17-,18-,20-,22-,23-,24-/m1/s1",OMHXSAMFEJVCPT-XQOWHXTBSA-N,C24H32O8,448.5,448.209718,0.3,130,963,0,3,8,5,32,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-3-(hydroxymethyl)-4a-beta-methoxy-1,1,6,8-alpha-tetramethyl-7b-alpha,9-beta-9a-alpha-trihydroxy-, 9-acetate 9a-tetradecanoate",57716-89-9,72292,"[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1-hydroxy-8-(hydroxymethyl)-6-methoxy-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate",CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)OC)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)C)O)C,"InChI=1S/C37H58O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-30(40)44-33-25(3)36(42)28(31-34(5,6)37(31,33)45-26(4)39)21-27(23-38)22-35(43-7)29(36)20-24(2)32(35)41/h20-21,25,28-29,31,33,38,42H,8-19,22-23H2,1-7H3/t25-,28+,29-,31-,33-,35-,36-,37-/m1/s1",VCWNAJUHTLWQQT-XCHBPHIQSA-N,C37H58O8,630.8,630.4131688,7.1,119,1170,0,2,8,18,45,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-beta,1b-alpha,4,4a,7a-beta,7b,",017673-25-5,442070,"(1S,2S,6R,10S,11R,13S,14R,15R)-1,6,13,14-tetrahydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one",C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)O)O,"InChI=1S/C20H28O6/c1-9-5-13-18(24,15(9)22)7-11(8-21)6-12-14-17(3,4)20(14,26)16(23)10(2)19(12,13)25/h5-6,10,12-14,16,21,23-26H,7-8H2,1-4H3/t10-,12+,13-,14-,16-,18-,19-,20-/m1/s1",QGVLYPPODPLXMB-UBTYZVCOSA-N,C20H28O6,364.4,364.1885886,-0.8,118,753,0,5,6,1,26,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-4a-alpha,7b-alpha,9-beta,9a-alpha-tetrahydroxy-3-hydroxymethyl-1,1,6,8-alpha-tetramethyl-, 9a-acetate",32752-29-7,499953,"[(1S,2S,6R,10S,11R,13S,14R,15R)-1,6,14-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] acetate",C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C)O,"InChI=1S/C22H30O7/c1-10-6-15-20(27,17(10)25)8-13(9-23)7-14-16-19(4,5)22(16,29-12(3)24)18(26)11(2)21(14,15)28/h6-7,11,14-16,18,23,26-28H,8-9H2,1-5H3/t11-,14+,15-,16-,18-,20-,21-,22-/m1/s1",SDSVJYOOAPRSDA-RPCQODIISA-N,C22H30O7,406.5,406.1991533,-0.3,124,857,0,4,7,3,29,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IDARUBICIN HYDROCHLORIDE (MALE),057852-57-0,636362,"(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride",C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O.Cl,"InChI=1S/C26H27NO9.ClH/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31;/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3;1H/t10-,15-,16-,17-,21+,26-;/m0./s1",JVHPTYWUBOQMBP-RVFAQHLVSA-N,C26H28ClNO9,534,533.1452592,,177,912,0,6,10,3,37,,,0,0,0,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0
DAUNOMYCIN HYDROCHLORIDE,023541-50-6,62770,"(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride",C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O.Cl,"InChI=1S/C27H29NO10.ClH/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33;/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3;1H/t10-,14-,16-,17-,22+,27-;/m0./s1",GUGHGUXZJWAIAS-QQYBVWGSSA-N,C27H30ClNO10,564,563.1558238,,186,960,0,6,11,4,39,,,0,0,0,1,0,1,0,0,0,0,1,0,0,1,1,0,0,0,0,0
DAUNOMYCIN,020830-81-3,30323,"(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione",C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O,"InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1",STQGQHZAVUOBTE-VGBVRHCVSA-N,C27H29NO10,527.5,527.1791461,1.8,186,960,0,5,11,4,38,,"190 °C, decomposes",0,0,0,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0
DOXORUBICIN HYDROCHLORIDE,025316-40-9,443939,"(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride",C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.Cl,"InChI=1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10-,13-,15-,17-,22+,27-;/m0./s1",MWWSFMDVAYGXBV-RUELKSSGSA-N,C27H30ClNO11,580,579.1507385,,206,977,0,7,12,5,40,,,0,0,0,1,0,1,0,1,0,0,1,0,0,1,0,0,1,0,0,0
"5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxohexopyranosyl)oxy)-8-(1-hydroxyethyl)-1-methoxy-6,8,11-trihydroxy-",28008-55-1,443832,"(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-[(1S)-1-hydroxyethyl]-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione",C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)([C@H](C)O)O)N)O,"InChI=1S/C27H31NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10-11,14,16-17,22,29-30,32,34-35H,7-9,28H2,1-3H3/t10-,11-,14-,16-,17-,22+,27-/m0/s1",HJEZFVLKJYFNQW-PRFXOSGESA-N,C27H31NO10,529.5,529.1947962,1.8,189,918,0,6,11,4,38,,,0,1,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0
"Adriamycin, trifluoroacetyl-, 14-valerate",56124-62-0,454216,"[2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] pentanoate",CCCCC(=O)OCC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)NC(=O)C(F)(F)F)O,"InChI=1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14-,17-,19-,22-,27+,33-/m0/s1",ZOCKGBMQLCSHFP-KQRAQHLDSA-N,C34H36F3NO13,723.6,723.2138747,4,215,1350,0,5,16,11,51,,,0,1,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0
"5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-beta-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-",56420-45-2,41867,"(7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione",C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O,"InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1",AOJJSUZBOXZQNB-VTZDEGQISA-N,C27H29NO11,543.5,543.1740607,1.3,206,977,0,6,12,5,39,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-beta-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride, (8S-cis)-",57918-24-8,151540,"(7S,9S)-9-acetyl-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione",C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O,"InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22-,27-/m0/s1",STQGQHZAVUOBTE-RPDDNNBZSA-N,C27H29NO10,527.5,527.1791461,1.8,186,960,0,5,11,4,38,,,0,1,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0
"2-(4-CHLORO-2,5-DIMETHOXYPHENYL)-N-((2-METHOXYPHENYL)METHYL)ETHANAMINE",1227608-02-7,46856354,"2-(4-chloro-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine",COC1=CC=CC=C1CNCCC2=CC(=C(C=C2OC)Cl)OC,"InChI=1S/C18H22ClNO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3",FJFPOGCVVLUYAQ-UHFFFAOYSA-N,C18H22ClNO3,335.8,335.1288213,3.8,39.7,331,0,1,4,8,23,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"2-(4-BROMO-2,5-DIMETHOXYPHENYL)-N-(2-METHOXYBENZYL)ETHANAMINE",1026511-90-9,9977044,"2-(4-bromo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine",COC1=CC=CC=C1CNCCC2=CC(=C(C=C2OC)Br)OC,"InChI=1S/C18H22BrNO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3",SUXGNJVVBGJEFB-UHFFFAOYSA-N,C18H22BrNO3,380.3,379.07831,3.9,39.7,331,0,1,4,8,23,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"4-BROMO-2,5-DIMETHOXY-N-(2-METHOXYBENZYL)PHENETHYLAMINE HYDROCHLORIDE",1539266-15-3,76965389,"2-(4-bromo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride",COC1=CC=CC=C1CNCCC2=CC(=C(C=C2OC)Br)OC.Cl,"InChI=1S/C18H22BrNO3.ClH/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2;/h4-7,10-11,20H,8-9,12H2,1-3H3;1H",HUHVUTZPPOFALF-UHFFFAOYSA-N,C18H23BrClNO3,416.7,415.05498,,39.7,331,0,2,4,8,24,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-CHLORO-2,5-DIMETHOXY-N-(2-METHOXYBENZYL)PHENETHYLAMINE HYDROCHLORIDE",1539266-19-7,71650599,"2-(4-chloro-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride",COC1=CC=CC=C1CNCCC2=CC(=C(C=C2OC)Cl)OC.Cl,"InChI=1S/C18H22ClNO3.ClH/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2;/h4-7,10-11,20H,8-9,12H2,1-3H3;1H",PMTKNKZAOWWYGW-UHFFFAOYSA-N,C18H23Cl2NO3,372.3,371.105499,,39.7,331,0,2,4,8,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"Phenethylamine, N-(o-chlorobenzyl)-alpha-methyl-, hydrochloride, (+)-",5843-53-8,71314913,(2S)-N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine;hydrochloride,C[C@@H](CC1=CC=CC=C1)NCC2=CC=CC=C2Cl.Cl,"InChI=1S/C16H18ClN.ClH/c1-13(11-14-7-3-2-4-8-14)18-12-15-9-5-6-10-16(15)17;/h2-10,13,18H,11-12H2,1H3;1H/t13-;/m0./s1",ASTCUURTJCZRSC-ZOWNYOTGSA-N,C16H19Cl2N,296.2,295.089455,,12,225,0,2,1,5,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzeneethanamine, 4-iodo-2,5-dimethoxy-N-((2-methoxyphenyl)methyl)-, hydrochloride (1:1)",1043868-97-8,53421151,"2-(4-iodo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride",COC1=CC=CC=C1CNCCC2=CC(=C(C=C2OC)I)OC.Cl,"InChI=1S/C18H22INO3.ClH/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2;/h4-7,10-11,20H,8-9,12H2,1-3H3;1H",IPBBLNVKGLDTML-UHFFFAOYSA-N,C18H23ClINO3,463.7,463.04112,,39.7,331,0,2,4,8,24,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
Retronecine,480-85-3,10198,"(1R,8R)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-ol",C1CN2CC=C([C@@H]2[C@@H]1O)CO,"InChI=1S/C8H13NO2/c10-5-6-1-3-9-4-2-7(11)8(6)9/h1,7-8,10-11H,2-5H2/t7-,8-/m1/s1",HJSJELVDQOXCHO-HTQZYQBOSA-N,C8H13NO2,155.19,155.0946287,-1.3,43.7,191,0,2,3,1,11,,80 °C @ 0.01 mm Hg,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"L-threo-Pentitol, 1,5-dideoxy-2-C-methyl-3-C-((((1R,7aR)-2,3,5,7a-tetrahydro-1-(((2Z)-2-methyl-1-oxo-2-butenyl)oxy)-1H-pyrrolizin-7-yl)methoxy)carbonyl)-",520-68-3,5281729,"[(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate",C/C=C(/C)\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)O)(C(C)(C)O)O,"InChI=1S/C20H31NO7/c1-6-12(2)17(23)28-15-8-10-21-9-7-14(16(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13-,15+,16+,20-/m0/s1",HRSGCYGUWHGOPY-LYHHMGRNSA-N,C20H31NO7,397.5,397.2100523,-0.1,117,684,0,3,8,9,28,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Europine,570-19-4,5462451,"[(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1S)-1-methoxyethyl]-3-methylbutanoate",C[C@@H]([C@](C(=O)OCC1=CCN2[C@H]1[C@H](CC2)O)(C(C)(C)O)O)OC,"InChI=1S/C16H27NO6/c1-10(22-4)16(21,15(2,3)20)14(19)23-9-11-5-7-17-8-6-12(18)13(11)17/h5,10,12-13,18,20-21H,6-9H2,1-4H3/t10-,12-,13+,16-/m0/s1",ZNEMYFCJOCCUJN-VFFTVRQLSA-N,C16H27NO6,329.39,329.1838376,-1.3,99.5,491,0,3,7,7,23,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, ((1R,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, (2S,3R)-",10285-06-0,114843,"[(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate",C[C@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)O)O,"InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12-,13-,15+/m1/s1",SFVVQRJOGUKCEG-OPQSFPLASA-N,C15H25NO5,299.36,299.1732729,-0.4,90.2,436,0,3,6,6,21,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, ((1R,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, (2S,3S)-",10285-07-1,107938,"[(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate",C[C@@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)O)O,"InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12+,13+,15-/m0/s1",SFVVQRJOGUKCEG-ZGFBFQLVSA-N,C15H25NO5,299.36,299.1732729,-0.4,90.2,436,0,3,6,6,21,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,3-Dihydroxy-2-isopropylbutanoate, ((1R,7aR)-1-Acetoxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl (2S,3S)-",73544-48-6,156006,"[(7R,8R)-7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate",C[C@@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C)O)O,"InChI=1S/C17H27NO6/c1-10(2)17(22,11(3)19)16(21)23-9-13-5-7-18-8-6-14(15(13)18)24-12(4)20/h5,10-11,14-15,19,22H,6-9H2,1-4H3/t11-,14+,15+,17-/m0/s1",RKDOFSJTBIDAHX-OFSOMGBPSA-N,C17H27NO6,341.4,341.1838376,0.1,96.3,531,0,2,7,8,24,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Heliotrine-,000303-33-3,906426,"[(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoate",C[C@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)O)O)OC,"InChI=1S/C16H27NO5/c1-10(2)16(20,11(3)21-4)15(19)22-9-12-5-7-17-8-6-13(18)14(12)17/h5,10-11,13-14,18,20H,6-9H2,1-4H3/t11-,13+,14-,16+/m1/s1",LMFKRLGHEKVMNT-UJDVCPFMSA-N,C16H27NO5,313.39,313.188923,0.1,79.2,450,0,2,6,7,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-ETHYL-1-METHYLPYRROLIDINIUM
BIS(TRIFLUOROMETHYLSULFONYL)IMIDE",223436-99-5,53316417,bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-methylpyrrolidin-1-ium,CC[N+]1(CCCC1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F,"InChI=1S/C7H16N.C2F6NO4S2/c1-3-8(2)6-4-5-7-8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-7H2,1-2H3;/q+1;-1",BRVHCCPVIILNPA-UHFFFAOYSA-N,C9H16F6N2O4S2,394.4,394.0455683,,86,446,0,0,11,3,23,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
1-BUTYL-1-METHYLPYRROLIDINIUM DICYANAMIDE,370865-80-8,16213711,1-butyl-1-methylpyrrolidin-1-ium;cyanoiminomethylideneazanide,CCCC[N+]1(CCCC1)C.C(=[N-])=NC#N,"InChI=1S/C9H20N.C2N3/c1-3-4-7-10(2)8-5-6-9-10;3-1-5-2-4/h3-9H2,1-2H3;/q+1;-1",LBHLGZNUPKUZJC-UHFFFAOYSA-N,C11H20N4,208.3,208.1687967,,37.2,179,0,0,3,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
N-BUTYL-N-METHYLPYRROLIDINIUM BROMIDE,093457-69-3,11009532,1-butyl-1-methylpyrrolidin-1-ium bromide,CCCC[N+]1(CCCC1)C.[Br-],"InChI=1S/C9H20N.BrH/c1-3-4-7-10(2)8-5-6-9-10;/h3-9H2,1-2H3;1H/q+1;/p-1",LCZRPQGSMFXSTC-UHFFFAOYSA-M,C9H20BrN,222.17,221.07791,,0,92,0,0,1,3,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
1-BUTYL-1-METHYL-PYRROLIDINIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE,223437-11-4,11048104,bis(trifluoromethylsulfonyl)azanide;1-butyl-1-methylpyrrolidin-1-ium,CCCC[N+]1(CCCC1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F,"InChI=1S/C9H20N.C2F6NO4S2/c1-3-4-7-10(2)8-5-6-9-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-9H2,1-2H3;/q+1;-1",HSLXOARVFIWOQF-UHFFFAOYSA-N,C11H20F6N2O4S2,422.4,422.0768684,,86,467,0,0,11,5,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BUTYL-1-METHYLPYRROLIDINIUM TETRAFLUOROBORATE,345984-11-4,44717198,1-butyl-1-methylpyrrolidin-1-ium tetrafluoroborate,[B-](F)(F)(F)F.CCCC[N+]1(CCCC1)C,"InChI=1S/C9H20N.BF4/c1-3-4-7-10(2)8-5-6-9-10;2-1(3,4)5/h3-9H2,1-2H3;/q+1;-1",PGCVCJOPLBWQHU-UHFFFAOYSA-N,C9H20BF4N,229.07,229.1624925,,0,112,0,0,5,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BUTYL-1-METHYLPYRROLIDINIUM CHLORIDE,479500-35-1,11769095,1-butyl-1-methylpyrrolidin-1-ium chloride,CCCC[N+]1(CCCC1)C.[Cl-],"InChI=1S/C9H20N.ClH/c1-3-4-7-10(2)8-5-6-9-10;/h3-9H2,1-2H3;1H/q+1;/p-1",BOOXKGZZTBKJFE-UHFFFAOYSA-M,C9H20ClN,177.71,177.1284273,,0,92,0,0,1,3,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-METHYL-1-PROPYLPYRROLIDINIUM BROMIDE,608140-09-6,16719897,1-methyl-1-propylpyrrolidin-1-ium bromide,CCC[N+]1(CCCC1)C.[Br-],"InChI=1S/C8H18N.BrH/c1-3-6-9(2)7-4-5-8-9;/h3-8H2,1-2H3;1H/q+1;/p-1",VLJAZZWDBWKZBL-UHFFFAOYSA-M,C8H18BrN,208.14,207.06226,,0,82,0,0,1,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BUTYL-1-METHYLPYRROLIDINIUM TRIFLUOROMETHANESULFONATE,367522-96-1,12195864,1-butyl-1-methylpyrrolidin-1-ium;trifluoromethanesulfonate,CCCC[N+]1(CCCC1)C.C(F)(F)(F)S(=O)(=O)[O-],"InChI=1S/C9H20N.CHF3O3S/c1-3-4-7-10(2)8-5-6-9-10;2-1(3,4)8(5,6)7/h3-9H2,1-2H3;(H,5,6,7)/q+1;/p-1",WZJDNKTZWIOOJE-UHFFFAOYSA-M,C10H20F3NO3S,291.33,291.1115992,,65.6,238,0,0,6,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
1-METHYL-1-PROPYLPYRROLIDINIUM BIS(FLUOROSULFONYL)IMIDE,852620-97-4,121234258,bis(fluorosulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium,CCC[N+]1(CCCC1)C.[N-](S(=O)(=O)F)S(=O)(=O)F,"InChI=1S/C8H18N.F2NO4S2/c1-3-6-9(2)7-4-5-8-9;1-8(4,5)3-9(2,6)7/h3-8H2,1-2H3;/q+1;-1",RXKLBLXXQQRGJH-UHFFFAOYSA-N,C8H18F2N2O4S2,308.4,308.0676057,,86,313,0,0,7,4,18,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"PYRROLIDINIUM, 1-ETHYL-1-METHYL-, BROMIDE",069227-51-6,112264,1-ethyl-1-methylpyrrolidin-1-ium bromide,CC[N+]1(CCCC1)C.[Br-],"InChI=1S/C7H16N.BrH/c1-3-8(2)6-4-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1",KHJQQUGSPDBDRM-UHFFFAOYSA-M,C7H16BrN,194.11,193.04661,,0,72,0,0,1,1,9,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
PHENMETRAZINE HYDROCHLORIDE,001707-14-8,92159,3-methyl-2-phenylmorpholine;hydrochloride,CC1C(OCCN1)C2=CC=CC=C2.Cl,"InChI=1S/C11H15NO.ClH/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10;/h2-6,9,11-12H,7-8H2,1H3;1H",VJNXVAVKCZJOFQ-UHFFFAOYSA-N,C11H16ClNO,213.7,213.0920418,,21.3,154,0,2,2,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PHENDIMETRAZINE TARTRATE,000050-58-8,120608,"(2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-3,4-dimethyl-2-phenylmorpholine",C[C@H]1[C@@H](OCCN1C)C2=CC=CC=C2.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C12H17NO.C4H6O6/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11;5-1(3(7)8)2(6)4(9)10/h3-7,10,12H,8-9H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t10-,12+;1-,2-/m01/s1",VEPOHXYIFQMVHW-PVJVQHJQSA-N,C16H23NO7,341.36,341.1474521,,128,311,0,4,8,4,24,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHENDIMETRAZINE (PLEGINE, PRELU-2, BONTRIL, MELFIAT, STATOBEX)",000634-03-7,30487,"(2S,3S)-3,4-dimethyl-2-phenylmorpholine",C[C@H]1[C@@H](OCCN1C)C2=CC=CC=C2,"InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t10-,12+/m0/s1",MFOCDFTXLCYLKU-CMPLNLGQSA-N,C12H17NO,191.27,191.1310142,1.9,12.5,177,0,0,2,1,14,,122-124 °C at 8 mm Hg; 134-135 °C at 12 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Morpholine, 5,5-dimethyl-2-phenyl-, hydrochloride",036981-93-8,135022,"5,5-dimethyl-2-phenylmorpholine;hydrochloride",CC1(COC(CN1)C2=CC=CC=C2)C.Cl,"InChI=1S/C12H17NO.ClH/c1-12(2)9-14-11(8-13-12)10-6-4-3-5-7-10;/h3-7,11,13H,8-9H2,1-2H3;1H",ITCSSRXQXNXMCG-UHFFFAOYSA-N,C12H18ClNO,227.73,227.1076919,,21.3,185,0,2,2,1,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Morpholine, 2-phenyl-",23972-41-0,91101,2-phenylmorpholine,C1COC(CN1)C2=CC=CC=C2,"InChI=1S/C10H13NO/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h1-5,10-11H,6-8H2",ZLNGFYDJXZZFJP-UHFFFAOYSA-N,C10H13NO,163.22,163.099714,1.1,21.3,132,0,1,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-Oxazine, tetrahydro-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-",30914-89-7,65774,2-[3-(trifluoromethyl)phenyl]morpholine,C1COC(CN1)C2=CC(=CC=C2)C(F)(F)F,"InChI=1S/C11H12F3NO/c12-11(13,14)9-3-1-2-8(6-9)10-7-15-4-5-16-10/h1-3,6,10,15H,4-5,7H2",GXPYCYWPUGKQIJ-UHFFFAOYSA-N,C11H12F3NO,231.21,231.0870985,2,21.3,232,0,1,5,1,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Morpholinol, 2-(3-chlorophenyl)-3,5,5-trimethyl-, (+)-(2S,3S)-, hydrochloride",106083-71-0,9838996,"(2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethylmorpholin-2-ol;hydrochloride",C[C@H]1[C@@](OCC(N1)(C)C)(C2=CC(=CC=C2)Cl)O.Cl,"InChI=1S/C13H18ClNO2.ClH/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10;/h4-7,9,15-16H,8H2,1-3H3;1H/t9-,13+;/m0./s1",ORXTVTDGPVINDN-BTJVGWIPSA-N,C13H19Cl2NO2,292.2,291.0792842,,41.5,285,0,3,3,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Morpholine, 2-methyl-2-phenyl-, hydrochloride",109461-16-7,3066036,2-methyl-2-phenylmorpholine;hydrochloride,CC1(CNCCO1)C2=CC=CC=C2.Cl,"InChI=1S/C11H15NO.ClH/c1-11(9-12-7-8-13-11)10-5-3-2-4-6-10;/h2-6,12H,7-9H2,1H3;1H",XUUBFKKQBMIKSZ-UHFFFAOYSA-N,C11H16ClNO,213.7,213.0920418,,21.3,165,0,2,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRANS-2-PHENYLCYCLOPROPYLAMINE HYDROCHLORIDE,001986-47-6,2723716,"trans-(1R,2S)-2-phenylcyclopropan-1-amine;hydrochloride",C1[C@H]([C@@H]1N)C2=CC=CC=C2.Cl,"InChI=1S/C9H11N.ClH/c10-9-6-8(9)7-4-2-1-3-5-7;/h1-5,8-9H,6,10H2;1H/t8-,9+;/m0./s1",ZPEFMSTTZXJOTM-OULXEKPRSA-N,C9H12ClN,169.65,169.0658271,,26,116,0,2,1,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2-DICHLOROCYCLOPROPYLBENZENE",002415-80-7,95349,"(2,2-dichlorocyclopropyl)benzene",C1C(C1(Cl)Cl)C2=CC=CC=C2,"InChI=1S/C9H8Cl2/c10-9(11)6-8(9)7-4-2-1-3-5-7/h1-5,8H,6H2",WLWFQGXZIDYWQF-UHFFFAOYSA-N,C9H8Cl2,187.06,186.0003056,3.3,0,148,0,0,0,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclopropylamine, 2-phenyl-, (1S-trans)-",003721-28-6,26070,"trans-(1S,2R)-2-phenylcyclopropan-1-amine",C1[C@@H]([C@H]1N)C2=CC=CC=C2,"InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1",AELCINSCMGFISI-BDAKNGLRSA-N,C9H11N,133.19,133.0891494,1.5,26,116,0,1,1,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Cyclopropylamine, 2-phenyl-, trans-(+-)-",155-09-9,5530,2-phenylcyclopropan-1-amine,C1C(C1N)C2=CC=CC=C2,"InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2",AELCINSCMGFISI-UHFFFAOYSA-N,C9H11N,133.19,133.0891494,1.5,26,116,0,1,1,1,10,,79-80 °C @ 1.5-1.6 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Cyclopropanecarbonyl chloride, 2-phenyl-, (E)-",939-87-7,13656,"trans-(1R,2R)-2-phenylcyclopropane-1-carbonyl chloride",C1[C@H]([C@@H]1C(=O)Cl)C2=CC=CC=C2,"InChI=1S/C10H9ClO/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2/t8-,9+/m0/s1",SODZBMGDYKEZJG-DTWKUNHWSA-N,C10H9ClO,180.63,180.0341926,2.6,17.1,184,0,0,1,2,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Cyclopropanecarboxylic acid, 2-(aminomethyl)-1-phenyl-, hydrochloride, cis-",105310-28-9,3064678,"cis-(1R,2S)-2-(aminomethyl)-1-phenylcyclopropane-1-carboxylic acid;hydrochloride",C1[C@@H]([C@]1(C2=CC=CC=C2)C(=O)O)CN.Cl,"InChI=1S/C11H13NO2.ClH/c12-7-9-6-11(9,10(13)14)8-4-2-1-3-5-8;/h1-5,9H,6-7,12H2,(H,13,14);1H/t9-,11+;/m1./s1",ARNYHWIQTFJBEI-XQKZEKTMSA-N,C11H14ClNO2,227.69,227.0713064,,63.3,235,0,3,3,3,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Cyclopropanecarboxamide, 2-(aminomethyl)-N,N-diethyl-1-phenyl-, monohydrochlor",101152-94-7,163701,"cis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide;hydrochloride",CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)C2=CC=CC=C2.Cl,"InChI=1S/C15H22N2O.ClH/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,16H2,1-2H3;1H/t13-,15+;/m1./s1",XNCDYJFPRPDERF-PBCQUBLHSA-N,C15H23ClN2O,282.81,282.1498911,,46.3,295,0,2,2,5,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MALEIC-D2 ANHYDRIDE,033225-51-3,13000553,"3,4-dideuteriofuran-2,5-dione",[2H]C1=C(C(=O)OC1=O)[2H],"InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H/i1D,2D",FPYJFEHAWHCUMM-QDNHWIQGSA-N,C4H2O3,100.07,100.0129474,-0.1,43.4,129,0,0,3,0,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,1,1,0,0
"2,5-FURANDIONE, 3,4-DIBROMO-",001122-12-9,70727,"3,4-dibromofuran-2,5-dione",C1(=C(C(=O)OC1=O)Br)Br,InChI=1S/C4Br2O3/c5-1-2(6)4(8)9-3(1)7,GEKJEMDSKURVLI-UHFFFAOYSA-N,C4Br2O3,255.85,255.81937,1.7,43.4,196,0,0,3,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CITRACONIC ANHYDRIDE,000616-02-4,12012,"3-methylfuran-2,5-dione",CC1=CC(=O)OC1=O,"InChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h2H,1H3",AYKYXWQEBUNJCN-UHFFFAOYSA-N,C5H4O3,112.08,112.016044,0.2,43.4,178,0,0,3,0,8,,213-214 °C @ 760 MM HG,0,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"3-FURANACETIC ACID, 2,5-DIHYDRO-2,5-DIOXO-",006318-55-4,65163,"2-(2,5-dioxofuran-3-yl)acetic acid",C1=C(C(=O)OC1=O)CC(=O)O,"InChI=1S/C6H4O5/c7-4(8)1-3-2-5(9)11-6(3)10/h2H,1H2,(H,7,8)",GVJRTUUUJYMTNQ-UHFFFAOYSA-N,C6H4O5,156.09,156.0058732,-0.7,80.7,262,0,1,5,2,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
BROMOMALEIC ANHYDRIDE,005926-51-2,80027,"3-bromofuran-2,5-dione",C1=C(C(=O)OC1=O)Br,InChI=1S/C4HBrO3/c5-2-1-3(6)8-4(2)7/h1H,YPRMWCKXOZFJGF-UHFFFAOYSA-N,C4HBrO3,176.95,175.91091,0.8,43.4,182,0,0,3,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acrylic acid, polymer with maleic anhydride",26677-99-6,213542,"furan-2,5-dione;prop-2-enoic acid",C=CC(=O)O.C1=CC(=O)OC1=O,"InChI=1S/C4H2O3.C3H4O2/c5-3-1-2-4(6)7-3;1-2-3(4)5/h1-2H;2H,1H2,(H,4,5)",JPZROSNLRWHSQQ-UHFFFAOYSA-N,C7H6O5,170.12,170.0215233,,80.7,185,0,1,5,1,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
Tautomycetin,119757-73-2,16759609,"[(2R,3S,4R,7S,8S,11S,13R,16E)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl] (3R)-3-hydroxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate",CC/C(=C\C(=O)C[C@H](C)C[C@@H](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@H](C)[C@@H](C)OC(=O)C[C@H](C1=C(C(=O)OC1=O)C)O)O)O)/C=C,"InChI=1S/C33H50O10/c1-9-24(10-2)15-25(34)14-19(4)13-18(3)11-12-26(35)21(6)28(37)16-27(36)20(5)23(8)42-30(39)17-29(38)31-22(7)32(40)43-33(31)41/h9,15,18-21,23,26-27,29,35-36,38H,1,10-14,16-17H2,2-8H3/b24-15-/t18-,19+,20+,21-,23+,26-,27+,29+/m0/s1",VAIBGAONSFVVKI-CIFLJJJCSA-N,C33H50O10,606.7,606.3403978,4.7,165,1090,0,3,10,21,43,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,4'-METHYLENEBIS(CYCLOHEXYLAMINE)",001761-71-3,15660,4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine,C1CC(CCC1CC2CCC(CC2)N)N,"InChI=1S/C13H26N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h10-13H,1-9,14-15H2",DZIHTWJGPDVSGE-UHFFFAOYSA-N,C13H26N2,210.36,210.2095988,1.9,52,157,0,2,2,2,15,"greater than 200 °F (NTP, 1992)","626 to 628 °F at 3 mmHg (NTP, 1992)",0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,1
"CARBAMIC ACID, [4-[(4-AMINOCYCLOHEXYL)METHYL]CYCLOHEXYL]-",013253-82-2,83267,[4-[(4-aminocyclohexyl)methyl]cyclohexyl]carbamic acid,C1CC(CCC1CC2CCC(CC2)NC(=O)O)N,"InChI=1S/C14H26N2O2/c15-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)16-14(17)18/h10-13,16H,1-9,15H2,(H,17,18)",NAXYKJVXULDOFW-UHFFFAOYSA-N,C14H26N2O2,254.37,254.1994281,0,75.4,267,0,3,3,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-METHYLENEBIS(2-METHYLCYCLOHEXANAMINE)",006864-37-5,91555,4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine,CC1CC(CCC1N)CC2CCC(C(C2)C)N,"InChI=1S/C15H30N2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h10-15H,3-9,16-17H2,1-2H3",IGSBHTZEJMPDSZ-UHFFFAOYSA-N,C15H30N2,238.41,238.240899,2.8,52,217,0,2,2,2,17,,342 °C,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANAMINE, 4-(CYCLOHEXYLMETHYL)-",037621-85-5,299588,4-(cyclohexylmethyl)cyclohexan-1-amine,C1CCC(CC1)CC2CCC(CC2)N,"InChI=1S/C13H25N/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h11-13H,1-10,14H2",BHMDNHIWCXQHCM-UHFFFAOYSA-N,C13H25N,195.34,195.1986998,4.1,26,153,0,1,1,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"N,N'-(METHYLENEDI-4,1-CYCLOHEXANEDIYL)BISAPARTIC ACID 1,1',4,4'-TETRAETHYL ESTER",136210-30-5,11272882,"diethyl 2-[[4-[[4-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]cyclohexyl]methyl]cyclohexyl]amino]butanedioate",CCOC(=O)CC(C(=O)OCC)NC1CCC(CC1)CC2CCC(CC2)NC(CC(=O)OCC)C(=O)OCC,"InChI=1S/C29H50N2O8/c1-5-36-26(32)18-24(28(34)38-7-3)30-22-13-9-20(10-14-22)17-21-11-15-23(16-12-21)31-25(29(35)39-8-4)19-27(33)37-6-2/h20-25,30-31H,5-19H2,1-4H3",VLJCQQPKCXJKKM-UHFFFAOYSA-N,C29H50N2O8,554.7,554.3567166,5.1,129,698,0,2,10,20,39,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
ASPARTIC ESTER,136210-32-7,86237,"diethyl 2-[[4-[[4-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]amino]butanedioate",CCOC(=O)CC(C(=O)OCC)NC1CCC(CC1C)CC2CCC(C(C2)C)NC(CC(=O)OCC)C(=O)OCC,"InChI=1S/C31H54N2O8/c1-7-38-28(34)18-26(30(36)40-9-3)32-24-13-11-22(15-20(24)5)17-23-12-14-25(21(6)16-23)33-27(31(37)41-10-4)19-29(35)39-8-2/h20-27,32-33H,7-19H2,1-6H3",YHVVJCQIMRGPPE-UHFFFAOYSA-N,C31H54N2O8,582.8,582.3880167,6,129,771,0,2,10,20,41,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"4,4'-ISOPROPYLIDENEDICYCLOHEXANOL",000080-04-6,94932,4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol,CC(C)(C1CCC(CC1)O)C2CCC(CC2)O,"InChI=1S/C15H28O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-14,16-17H,3-10H2,1-2H3",CDBAMNGURPMUTG-UHFFFAOYSA-N,C15H28O2,240.38,240.2089301,3.3,40.5,209,0,2,2,2,17,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclohexanaminium, 4,4'-methylenebis(N,N,N-trimethyl-, diiodide",7681-78-9,71849,trimethyl-[4-[[4-(trimethylazaniumyl)cyclohexyl]methyl]cyclohexyl]azanium diiodide,C[N+](C)(C)C1CCC(CC1)CC2CCC(CC2)[N+](C)(C)C.[I-].[I-],"InChI=1S/C19H40N2.2HI/c1-20(2,3)18-11-7-16(8-12-18)15-17-9-13-19(14-10-17)21(4,5)6;;/h16-19H,7-15H2,1-6H3;2*1H/q+2;;/p-2",CWPAAKNARYMZLM-UHFFFAOYSA-L,C19H40I2N2,550.3,550.12809,,0,275,0,0,2,4,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
METHYLENEBIS(4-CYCLOHEXYL ISOCYANATE),005124-30-1,21202,1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane,C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O,"InChI=1S/C15H22N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h12-15H,1-9H2",KORSJDCBLAPZEQ-UHFFFAOYSA-N,C15H22N2O2,262.35,262.1681279,5.3,58.9,332,0,0,4,4,19,"greater than 395 °F (NIOSH, 2024)",,0,0,1,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"Glycolic acid, dicyclohexyl-",6313-70-8,95863,"2,2-dicyclohexyl-2-hydroxyacetic acid",C1CCC(CC1)C(C2CCCCC2)(C(=O)O)O,"InChI=1S/C14H24O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12,17H,1-10H2,(H,15,16)",LZEAYFSRBRGLSF-UHFFFAOYSA-N,C14H24O3,240.34,240.1725446,3.7,57.5,245,0,2,3,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BROMOTHYMOL BLUE,000076-59-5,6450,"2-bromo-4-[3-(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-3-methyl-6-propan-2-ylphenol",CC1=C(C=C(C(=C1Br)O)C(C)C)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C(=C(C(=C4)C(C)C)O)Br)C,"InChI=1S/C27H28Br2O5S/c1-13(2)17-11-20(15(5)23(28)25(17)30)27(19-9-7-8-10-22(19)35(32,33)34-27)21-12-18(14(3)4)26(31)24(29)16(21)6/h7-14,30-31H,1-6H3",NUHCTOLBWMJMLX-UHFFFAOYSA-N,C27H28Br2O5S,624.4,624.00037,7.6,92.2,818,0,2,5,4,35,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PHENOL RED,000143-74-8,4766,"4-[3-(4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol",C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O,"InChI=1S/C19H14O5S/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24-19/h1-12,20-21H",BELBBZDIHDAJOR-UHFFFAOYSA-N,C19H14O5S,354.4,354.0561947,3,92.2,545,0,2,5,2,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
XYLENOL ORANGE,001611-35-4,73041,"2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid",CC1=CC(=CC(=C1O)CN(CC(=O)O)CC(=O)O)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)C)O)CN(CC(=O)O)CC(=O)O,"InChI=1S/C31H32N2O13S/c1-17-7-21(9-19(29(17)42)11-32(13-25(34)35)14-26(36)37)31(23-5-3-4-6-24(23)47(44,45)46-31)22-8-18(2)30(43)20(10-22)12-33(15-27(38)39)16-28(40)41/h3-10,42-43H,11-16H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41)",ORZHVTYKPFFVMG-UHFFFAOYSA-N,C31H32N2O13S,672.7,672.1625103,-2.8,248,1170,0,6,15,14,47,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CHLOROPHENOL RED,004430-20-0,20486,"2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol",C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC(=C(C=C3)O)Cl)C4=CC(=C(C=C4)O)Cl,"InChI=1S/C19H12Cl2O5S/c20-14-9-11(5-7-16(14)22)19(12-6-8-17(23)15(21)10-12)13-3-1-2-4-18(13)27(24,25)26-19/h1-10,22-23H",WWAABJGNHFGXSJ-UHFFFAOYSA-N,C19H12Cl2O5S,423.3,421.97825,4.3,92.2,625,0,2,5,2,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PYROCATECHOL VIOLET,000115-41-3,66993,"4-[3-(3,4-dihydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]benzene-1,2-diol",C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC(=C(C=C3)O)O)C4=CC(=C(C=C4)O)O,"InChI=1S/C19H14O7S/c20-14-7-5-11(9-16(14)22)19(12-6-8-15(21)17(23)10-12)13-3-1-2-4-18(13)27(24,25)26-19/h1-10,20-23H",RRRCKIRSVQAAAS-UHFFFAOYSA-N,C19H14O7S,386.4,386.046024,2.3,133,619,0,4,7,2,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CRESOL RED,001733-12-6,73013,"4-[3-(4-hydroxy-3-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-methylphenol",CC1=C(C=CC(=C1)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C=C4)O)C)O,"InChI=1S/C21H18O5S/c1-13-11-15(7-9-18(13)22)21(16-8-10-19(23)14(2)12-16)17-5-3-4-6-20(17)27(24,25)26-21/h3-12,22-23H,1-2H3",OBRMNDMBJQTZHV-UHFFFAOYSA-N,C21H18O5S,382.4,382.0874948,3.7,92.2,615,0,2,5,2,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BROMOCRESOL PURPLE,000115-40-2,8273,"2-bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-6-methylphenol",CC1=CC(=CC(=C1O)Br)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)C)O)Br,"InChI=1S/C21H16Br2O5S/c1-11-7-13(9-16(22)19(11)24)21(14-8-12(2)20(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28-21/h3-10,24-25H,1-2H3",ABIUHPWEYMSGSR-UHFFFAOYSA-N,C21H16Br2O5S,540.2,539.90647,5.1,92.2,680,0,2,5,2,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-AMINOCHRYSENE,002642-98-0,17534,chrysen-6-amine,C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)N,"InChI=1S/C18H13N/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,19H2",KIVUHCNVDWYUNP-UHFFFAOYSA-N,C18H13N,243.3,243.1047994,5,26,326,0,1,1,0,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
6-NITROCHRYSENE,007496-02-8,24121,6-nitrochrysene,C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)[N+](=O)[O-],InChI=1S/C18H11NO2/c20-19(21)18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,UAWLTQJFZUYROA-UHFFFAOYSA-N,C18H11NO2,273.3,273.0789786,5.5,45.8,405,0,0,2,0,21,,"Sublimes without decomposition (NTP, 1992)",0,1,1,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
3-METHYLCHRYSENE,003351-31-3,18781,3-methylchrysene,CC1=CC2=C(C=C1)C=CC3=C2C=CC4=CC=CC=C43,"InChI=1S/C19H14/c1-13-6-7-15-9-10-17-16-5-3-2-4-14(16)8-11-18(17)19(15)12-13/h2-12H,1H3",JLIHUJWAXSZIHS-UHFFFAOYSA-N,C19H14,242.3,242.1095504,6.4,0,320,0,0,0,0,19,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
CHRYSENE-D12,001719-03-5,3083729,"1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriochrysene",[2H]C1=C(C(=C2C(=C1[2H])C(=C(C3=C2C(=C(C4=C(C(=C(C(=C43)[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H],"InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D",WDECIBYCCFPHNR-AQZSQYOVSA-N,C18H12,240.4,240.1692213,5.7,0,264,0,0,0,0,18,,,1,0,0,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0
CHRYSENE,000218-01-9,9171,chrysene,C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43,InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H,WDECIBYCCFPHNR-UHFFFAOYSA-N,C18H12,228.3,228.0939004,5.7,0,264,0,0,0,0,18,,"838 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0
4-METHYLCHRYSENE,003351-30-2,18780,4-methylchrysene,CC1=C2C(=CC=C1)C=CC3=C2C=CC4=CC=CC=C43,"InChI=1S/C19H14/c1-13-5-4-7-15-10-11-17-16-8-3-2-6-14(16)9-12-18(17)19(13)15/h2-12H,1H3",BLVHWJCLSMYFMT-UHFFFAOYSA-N,C19H14,242.3,242.1095504,6,0,320,0,0,0,0,19,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
2-METHYLCHRYSENE,003351-32-4,18782,2-methylchrysene,CC1=CC2=C(C=C1)C3=C(C=C2)C4=CC=CC=C4C=C3,"InChI=1S/C19H14/c1-13-6-9-17-15(12-13)8-11-18-16-5-3-2-4-14(16)7-10-19(17)18/h2-12H,1H3",PJVVBVYEMMJZCY-UHFFFAOYSA-N,C19H14,242.3,242.1095504,6.4,0,320,0,0,0,0,19,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"Chrysene, 1-methyl-",3351-28-8,18779,1-methylchrysene,CC1=C2C=CC3=C(C2=CC=C1)C=CC4=CC=CC=C43,"InChI=1S/C19H14/c1-13-5-4-8-17-15(13)11-12-18-16-7-3-2-6-14(16)9-10-19(17)18/h2-12H,1H3",LQKGSLMFGWWLIU-UHFFFAOYSA-N,C19H14,242.3,242.1095504,6.4,0,320,0,0,0,0,19,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
5-METHYLCHRYSENE,003697-24-3,19427,5-methylchrysene,CC1=CC2=CC=CC=C2C3=C1C4=CC=CC=C4C=C3,"InChI=1S/C19H14/c1-13-12-15-7-3-4-8-16(15)18-11-10-14-6-2-5-9-17(14)19(13)18/h2-12H,1H3",GOHBXWHNJHENRX-UHFFFAOYSA-N,C19H14,242.3,242.1095504,6,0,320,0,0,0,0,19,,,1,0,0,1,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0
A-TETRALONE,000529-34-0,10724,"3,4-dihydro-2H-naphthalen-1-one",C1CC2=CC=CC=C2C(=O)C1,"InChI=1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2",XHLHPRDBBAGVEG-UHFFFAOYSA-N,C10H10O,146.19,146.0731649,2,17.1,162,0,0,1,0,11,129 °C,255-257 °C @ 760 MM HG,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"7-BROMO-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE",032281-97-3,252731,"7-bromo-3,4-dihydro-2H-naphthalen-1-one",C1CC2=C(C=C(C=C2)Br)C(=O)C1,"InChI=1S/C10H9BrO/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6H,1-3H2",YGVDCGFUUUJCDF-UHFFFAOYSA-N,C10H9BrO,225.08,223.98368,2.7,17.1,190,0,0,1,0,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1(2H)-NAPHTHALENONE, 3,4-DIHYDRO-6-METHOXY-",001078-19-9,14112,"6-methoxy-3,4-dihydro-2H-naphthalen-1-one",COC1=CC2=C(C=C1)C(=O)CCC2,"InChI=1S/C11H12O2/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12/h5-7H,2-4H2,1H3",MNALUTYMBUBKNX-UHFFFAOYSA-N,C11H12O2,176.21,176.0837296,2,26.3,200,0,0,2,1,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1(2H)-NAPHTHALENONE, 2-BROMO-3,4-DIHYDRO-",013672-07-6,101120,"2-bromo-3,4-dihydro-2H-naphthalen-1-one",C1CC2=CC=CC=C2C(=O)C1Br,"InChI=1S/C10H9BrO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9H,5-6H2",AYNCWMIFKFADCZ-UHFFFAOYSA-N,C10H9BrO,225.08,223.98368,2.9,17.1,190,0,0,1,0,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1(2H)-NAPHTHALENONE, 3,4-DIHYDRO-6-METHYL-",051015-29-3,162620,"6-methyl-3,4-dihydro-2H-naphthalen-1-one",CC1=CC2=C(C=C1)C(=O)CCC2,"InChI=1S/C11H12O/c1-8-5-6-10-9(7-8)3-2-4-11(10)12/h5-7H,2-4H2,1H3",FPOGGJAFMWYNLI-UHFFFAOYSA-N,C11H12O,160.21,160.088815,2.4,17.1,185,0,0,1,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1(2H)-NAPHTHALENONE, 3,4-DIHYDRO-7-METHYL-",022009-37-6,89147,"7-methyl-3,4-dihydro-2H-naphthalen-1-one",CC1=CC2=C(CCCC2=O)C=C1,"InChI=1S/C11H12O/c1-8-5-6-9-3-2-4-11(12)10(9)7-8/h5-7H,2-4H2,1H3",GGMYZZBVIWUXEC-UHFFFAOYSA-N,C11H12O,160.21,160.088815,2.4,17.1,185,0,0,1,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1(2H)-NAPHTHALENONE, 3,4-DIHYDRO-8-METHYL-",051015-28-2,162619,"8-methyl-3,4-dihydro-2H-naphthalen-1-one",CC1=C2C(=CC=C1)CCCC2=O,"InChI=1S/C11H12O/c1-8-4-2-5-9-6-3-7-10(12)11(8)9/h2,4-5H,3,6-7H2,1H3",ACEWUDFEONXYQH-UHFFFAOYSA-N,C11H12O,160.21,160.088815,2.4,17.1,185,0,0,1,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1(2H)-Naphthalenone, 3,4-dihydro-5-methoxy-",33892-75-0,36620,"5-methoxy-3,4-dihydro-2H-naphthalen-1-one",COC1=CC=CC2=C1CCCC2=O,"InChI=1S/C11H12O2/c1-13-11-7-3-4-8-9(11)5-2-6-10(8)12/h3-4,7H,2,5-6H2,1H3",BRCPWISABURVIH-UHFFFAOYSA-N,C11H12O2,176.21,176.0837296,2.5,26.3,200,0,0,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1(2H)-Naphthalenone, 3,4-dihydro-7-nitro-",40353-34-2,38445,"7-nitro-3,4-dihydro-2H-naphthalen-1-one",C1CC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C1,"InChI=1S/C10H9NO3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h4-6H,1-3H2",GWAQYWSNCVEJMW-UHFFFAOYSA-N,C10H9NO3,191.18,191.0582431,1.9,62.9,259,0,0,3,0,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1(2H)-Naphthalenone, 3,4-dihydro-5-(3-(tert-butylamino)-2-hydroxypropoxy)-, hydrochloride,(-)-",27912-14-7,5284409,"5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride",CC(C)(C)NC[C@@H](COC1=CC=CC2=C1CCCC2=O)O.Cl,"InChI=1S/C17H25NO3.ClH/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20;/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3;1H/t12-;/m0./s1",DNTDOBSIBZKFCP-YDALLXLXSA-N,C17H26ClNO3,327.8,327.1601214,,58.6,350,0,3,4,6,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,6-DICHLOROPHENOLINDOPHENOL SODIUM",000620-45-1,23697355,"sodium 4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate",C1=CC(=CC=C1N=C2C=C(C(=O)C(=C2)Cl)Cl)[O-].[Na+],"InChI=1S/C12H7Cl2NO2.Na/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7;/h1-6,16H;/q;+1/p-1",CVSUAFOWIXUYQA-UHFFFAOYSA-M,C12H6Cl2NNaO2,290.07,288.9673281,,52.5,400,0,0,3,1,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N-DIMETHYLINDOANILINE",002150-58-5,75078,"4-[4-(dimethylamino)phenyl]iminocyclohexa-2,5-dien-1-one",CN(C)C1=CC=C(C=C1)N=C2C=CC(=O)C=C2,"InChI=1S/C14H14N2O/c1-16(2)13-7-3-11(4-8-13)15-12-5-9-14(17)10-6-12/h3-10H,1-2H3",LHGMHYDJNXEEFG-UHFFFAOYSA-N,C14H14N2O,226.27,226.1106131,2,32.7,354,0,0,3,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
INDOPHENOL,000500-85-6,10379,"4-(4-hydroxyphenyl)iminocyclohexa-2,5-dien-1-one",C1=CC(=O)C=CC1=NC2=CC=C(C=C2)O,"InChI=1S/C12H9NO2/c14-11-5-1-9(2-6-11)13-10-3-7-12(15)8-4-10/h1-8,14H",RSAZYXZUJROYKR-UHFFFAOYSA-N,C12H9NO2,199.2,199.0633285,1.5,49.7,316,0,1,3,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-CYCLOHEXADIEN-1-ONE, 4-[(4-HYDROXYPHENYL)IMINO]-, SODIUM SALT",005418-32-6,2735060,"sodium 4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate",C1=CC(=O)C=CC1=NC2=CC=C(C=C2)[O-].[Na+],"InChI=1S/C12H9NO2.Na/c14-11-5-1-9(2-6-11)13-10-3-7-12(15)8-4-10;/h1-8,14H;/q;+1/p-1",FRUIYGAEJNTDCA-UHFFFAOYSA-M,C12H8NNaO2,221.19,221.0452728,,52.5,321,0,0,3,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, N-[3-[[4-(DIETHYLAMINO)-2-METHYLPHENYL]IMINO]-6-OXO-1,4-CYCLOHEXADI",096141-86-5,135408802,"N-[3-[4-(diethylamino)-2-methylphenyl]imino-6-oxocyclohexa-1,4-dien-1-yl]acetamide",CCN(CC)C1=CC(=C(C=C1)N=C2C=CC(=O)C(=C2)NC(=O)C)C,"InChI=1S/C19H23N3O2/c1-5-22(6-2)16-8-9-17(13(3)11-16)21-15-7-10-19(24)18(12-15)20-14(4)23/h7-12H,5-6H2,1-4H3,(H,20,23)",CHGIHVWOAFUQLD-UHFFFAOYSA-N,C19H23N3O2,325.4,325.179027,2.5,61.8,573,0,1,4,5,24,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,5-Cyclohexadien-1-one, 4-(p-dimethylaminophenyl)imino-2-methyl-",64693-19-2,95045,"4-[4-(dimethylamino)phenyl]imino-2-methylcyclohexa-2,5-dien-1-one",CC1=CC(=NC2=CC=C(C=C2)N(C)C)C=CC1=O,"InChI=1S/C15H16N2O/c1-11-10-13(6-9-15(11)18)16-12-4-7-14(8-5-12)17(2)3/h4-10H,1-3H3",TVFVEJDBKZLTOQ-UHFFFAOYSA-N,C15H16N2O,240.3,240.1262631,2.4,32.7,410,0,0,3,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-(4-FLUOROPHENYL)IMIDAZOLE,021441-24-7,140833,1-(4-fluorophenyl)imidazole,C1=CC(=CC=C1N2C=CN=C2)F,InChI=1S/C9H7FN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H,KKKSMWMXKUAZHK-UHFFFAOYSA-N,C9H7FN2,162.16,162.0593264,1.8,17.8,143,0,0,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-(4-METHOXYPHENYL)-1H-IMIDAZOLE,010040-95-6,82328,1-(4-methoxyphenyl)imidazole,COC1=CC=C(C=C1)N2C=CN=C2,"InChI=1S/C10H10N2O/c1-13-10-4-2-9(3-5-10)12-7-6-11-8-12/h2-8H,1H3",XNLOIFUGGCCEQX-UHFFFAOYSA-N,C10H10N2O,174.2,174.0793129,1.6,27.1,155,0,0,2,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4'-(IMIDAZOL-1-YL)METHYL PHENYL KETONE,010041-06-2,82316,1-(4-imidazol-1-ylphenyl)ethanone,CC(=O)C1=CC=C(C=C1)N2C=CN=C2,"InChI=1S/C11H10N2O/c1-9(14)10-2-4-11(5-3-10)13-7-6-12-8-13/h2-8H,1H3",GAIQQJIMVVUTQN-UHFFFAOYSA-N,C11H10N2O,186.21,186.0793129,1.4,34.9,209,0,0,2,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-(4-TRIFLUOROMETHYLPHENYL)IMIDAZOLE,025371-98-6,141198,1-[4-(trifluoromethyl)phenyl]imidazole,C1=CC(=CC=C1C(F)(F)F)N2C=CN=C2,"InChI=1S/C10H7F3N2/c11-10(12,13)8-1-3-9(4-2-8)15-6-5-14-7-15/h1-7H",FUJKJTAYTFLIDA-UHFFFAOYSA-N,C10H7F3N2,212.17,212.0561327,2.6,17.8,209,0,0,4,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(1H-IMIDAZOL-1-YL)BENZOIC ACID,017616-04-5,736529,4-imidazol-1-ylbenzoic acid,C1=CC(=CC=C1C(=O)O)N2C=CN=C2,"InChI=1S/C10H8N2O2/c13-10(14)8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H,(H,13,14)",LFIDZIWWYNTQOQ-UHFFFAOYSA-N,C10H8N2O2,188.18,188.0585775,1.2,55.1,212,0,1,3,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-HISTIDINE, N-[(1,1-DIMETHYLETHOXY)CARBONYL]-1-(2,4-DINITROPHENYL)-",025024-53-7,90690,"(2S)-3-[1-(2,4-dinitrophenyl)imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid",CC(C)(C)OC(=O)N[C@@H](CC1=CN(C=N1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O,"InChI=1S/C17H19N5O8/c1-17(2,3)30-16(25)19-12(15(23)24)6-10-8-20(9-18-10)13-5-4-11(21(26)27)7-14(13)22(28)29/h4-5,7-9,12H,6H2,1-3H3,(H,19,25)(H,23,24)/t12-/m0/s1",KPGVUOQMOHGHEW-LBPRGKRZSA-N,C17H19N5O8,421.4,421.1233626,2,185,671,0,2,9,7,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Imidazole, 1-(m-chlorophenyl)-",51581-52-3,99349,1-(3-chlorophenyl)imidazole,C1=CC(=CC(=C1)Cl)N2C=CN=C2,InChI=1S/C9H7ClN2/c10-8-2-1-3-9(6-8)12-5-4-11-7-12/h1-7H,LEKTXVRARNYCNV-UHFFFAOYSA-N,C9H7ClN2,178.62,178.0297759,2.3,17.8,151,0,0,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-PHENYLIMIDAZOLE,007164-98-9,81595,1-phenylimidazole,C1=CC=C(C=C1)N2C=CN=C2,InChI=1S/C9H8N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h1-8H,SEULWJSKCVACTH-UHFFFAOYSA-N,C9H8N2,144.17,144.0687483,1.7,17.8,119,0,0,1,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(HYDROXYMETHYL)BENZENEBORONIC ACID PINACOL ESTER,302348-51-2,11402050,"[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol",B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CO,"InChI=1S/C13H19BO3/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-8,15H,9H2,1-4H3",GZZBZWITJNATOD-UHFFFAOYSA-N,C13H19BO3,234.1,234.1427246,,38.7,254,0,1,3,2,17,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PHENYLBORONIC ACID PINACOL ESTER,024388-23-6,570673,"4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane",B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2,"InChI=1S/C12H17BO2/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h5-9H,1-4H3",KKLCYBZPQDOFQK-UHFFFAOYSA-N,C12H17BO2,204.08,204.1321599,,18.5,216,0,0,2,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID",180516-87-4,2734621,"4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid",B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)O,"InChI=1S/C13H17BO4/c1-12(2)13(3,4)18-14(17-12)10-7-5-9(6-8-10)11(15)16/h5-8H,1-4H3,(H,15,16)",IYDKBQIEOBXLTP-UHFFFAOYSA-N,C13H17BO4,248.08,248.1219892,,55.8,316,0,1,4,2,18,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-AMINOPHENYLBORONIC ACID PINACOL ESTER,214360-73-3,2734620,"4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline",B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N,"InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8H,14H2,1-4H3",ZANPJXNYBVVNSD-UHFFFAOYSA-N,C12H18BNO2,219.09,219.143059,,44.5,244,0,1,3,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-AMINOPHENYLBORONIC ACID PINACOL ESTER,210907-84-9,2734655,"3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline",B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)N,"InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9/h5-8H,14H2,1-4H3",YMXIIVIQLHYKOT-UHFFFAOYSA-N,C12H18BNO2,219.09,219.143059,,44.5,252,0,1,3,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4,5,5-TETRAMETHYL-2-(4-VINYLPHENYL)-1,3,2-DIOXABOROLANE",870004-04-9,23629516,"2-(4-ethenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane",B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C=C,"InChI=1S/C14H19BO2/c1-6-11-7-9-12(10-8-11)15-16-13(2,3)14(4,5)17-15/h6-10H,1H2,2-5H3",ONBKTEDYJFZZCU-UHFFFAOYSA-N,C14H19BO2,230.11,230.14781,,18.5,275,0,0,2,2,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-FORMYLPHENYLBORONIC ACID PINACOL ESTER,380151-86-0,2760586,"3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde",B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C=O,"InChI=1S/C13H17BO3/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15/h5-9H,1-4H3",IFYMOLFMYIDYEN-UHFFFAOYSA-N,C13H17BO3,232.09,232.1270746,,35.5,285,0,0,3,2,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-BROMOMETHYLPHENYLBORONIC ACID, PINACOL ESTER",138500-85-3,3734506,"2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane",B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CBr,"InChI=1S/C13H18BBrO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-8H,9H2,1-4H3",CBUOGMOTDGNEAW-UHFFFAOYSA-N,C13H18BBrO2,297,296.05832,,18.5,257,0,0,2,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2H-1-Benzopyran-5-ol, 2-methyl-2-(4-methyl-3-pentenyl)-7-pentyl-",020675-51-8,30219,2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol,CCCCCC1=CC(=C2C=CC(OC2=C1)(C)CCC=C(C)C)O,"InChI=1S/C21H30O2/c1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3",UVOLYTDXHDXWJU-UHFFFAOYSA-N,C21H30O2,314.5,314.2245802,6.9,29.5,422,0,1,2,7,23,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
PRECOCENE II,000644-06-4,12565,"6,7-dimethoxy-2,2-dimethylchromene",CC1(C=CC2=CC(=C(C=C2O1)OC)OC)C,"InChI=1S/C13H16O3/c1-13(2)6-5-9-7-11(14-3)12(15-4)8-10(9)16-13/h5-8H,1-4H3",PTIDGSWTMLSGAH-UHFFFAOYSA-N,C13H16O3,220.26,220.1099444,3.3,27.7,272,0,0,3,2,16,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"2H-1-Benzopyran-3-carboxylic acid, 8-(3-(hydroxymercuri)-2-methoxypropyl)-2-oxo-,sodium salt, compd. with theophylline (1:1)",8018-15-3,322304,2H-chromene-3-carboxylic acid,C1C(=CC2=CC=CC=C2O1)C(=O)O,"InChI=1S/C10H8O3/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H,11,12)",DEBZQUFVQZPPLC-UHFFFAOYSA-N,C10H8O3,176.17,176.0473441,1.5,46.5,245,0,1,3,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2H-1-Benzopyran-3-carboxaldehyde,51593-69-2,40066,2H-chromene-3-carbaldehyde,C1C(=CC2=CC=CC=C2O1)C=O,"InChI=1S/C10H8O2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-6H,7H2",RISKINCQRSLFRK-UHFFFAOYSA-N,C10H8O2,160.17,160.0524295,1.4,26.3,208,0,0,2,1,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1-Benzopyran, 3-acetyl-",51593-70-5,40067,1-(2H-chromen-3-yl)ethanone,CC(=O)C1=CC2=CC=CC=C2OC1,"InChI=1S/C11H10O2/c1-8(12)10-6-9-4-2-3-5-11(9)13-7-10/h2-6H,7H2,1H3",SPWAIRGUACCVAD-UHFFFAOYSA-N,C11H10O2,174.2,174.0680796,1.7,26.3,242,0,0,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2H-1-Benzopyran-3-carbonitrile,57543-66-5,42438,2H-chromene-3-carbonitrile,C1C(=CC2=CC=CC=C2O1)C#N,"InChI=1S/C10H7NO/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5H,7H2",NQOLOKKZYCSJRL-UHFFFAOYSA-N,C10H7NO,157.17,157.0527638,1.7,33,248,0,0,2,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1-Benzopyran-3-carbonitrile, 6-methoxy-",57543-71-2,42440,6-methoxy-2H-chromene-3-carbonitrile,COC1=CC2=C(C=C1)OCC(=C2)C#N,"InChI=1S/C11H9NO2/c1-13-10-2-3-11-9(5-10)4-8(6-12)7-14-11/h2-5H,7H2,1H3",QFFAZOPNBVZSGX-UHFFFAOYSA-N,C11H9NO2,187.19,187.0633285,1.7,42.3,289,0,0,3,1,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1-Benzopyran-6-ol, 2,8-dimethyl-2-((3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl)-",142060-00-2,13437678,2H-chromen-6-ol,C1C=CC2=C(O1)C=CC(=C2)O,"InChI=1S/C9H8O2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-4,6,10H,5H2",NAHHIXKSGGSPOL-UHFFFAOYSA-N,C9H8O2,148.16,148.0524295,1.9,29.5,165,0,1,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1-Benzopyran-5-ol, 2-methyl-2-(4-methyl-3-pentenyl)-7-propyl-",41408-19-9,6451726,2-methyl-2-(4-methylpent-3-enyl)-7-propylchromen-5-ol,CCCC1=CC(=C2C=CC(OC2=C1)(C)CCC=C(C)C)O,"InChI=1S/C19H26O2/c1-5-7-15-12-17(20)16-9-11-19(4,21-18(16)13-15)10-6-8-14(2)3/h8-9,11-13,20H,5-7,10H2,1-4H3",AAXZFUQLLRMVOG-UHFFFAOYSA-N,C19H26O2,286.4,286.1932801,5.8,29.5,394,0,1,2,5,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"2(1H)-PYRIMIDINONE, MONOHYDROCHLORIDE",038353-09-2,122774,1H-pyrimidin-2-one;hydrochloride,C1=CNC(=O)N=C1.Cl,"InChI=1S/C4H4N2O.ClH/c7-4-5-2-1-3-6-4;/h1-3H,(H,5,6,7);1H",IAJINJSFYTZPEJ-UHFFFAOYSA-N,C4H5ClN2O,132.55,132.0090405,,41.5,137,0,2,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CYTOSINE,000071-30-7,597,6-amino-1H-pyrimidin-2-one,C1=C(NC(=O)N=C1)N,"InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)",OPTASPLRGRRNAP-UHFFFAOYSA-N,C4H5N3O,111.1,111.0432618,-1.7,67.5,170,0,2,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(1H)-PYRIMIDINONE, 4,6-DIMETHYL-",000108-79-2,9508,"4,6-dimethyl-1H-pyrimidin-2-one",CC1=CC(=NC(=O)N1)C,"InChI=1S/C6H8N2O/c1-4-3-5(2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9)",WHEQVHAIRSPYDK-UHFFFAOYSA-N,C6H8N2O,124.14,124.0636629,0,41.5,203,0,1,1,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(1H)-PYRIMIDINONE, 5-BROMO-",038353-06-9,101494,5-bromo-1H-pyrimidin-2-one,C1=C(C=NC(=O)N1)Br,"InChI=1S/C4H3BrN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)",VTUDATOSQGYWML-UHFFFAOYSA-N,C4H3BrN2O,174.98,173.94288,0.2,41.5,173,0,1,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-FLUOROCYTOSINE,002022-85-7,3366,6-amino-5-fluoro-1H-pyrimidin-2-one,C1=NC(=O)NC(=C1F)N,"InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)",XRECTZIEBJDKEO-UHFFFAOYSA-N,C4H4FN3O,129.09,129.0338399,-0.9,67.5,208,0,2,3,0,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2(1H)-Pyrimidinone, 4-amino-5-methyl-",554-01-8,65040,6-amino-5-methyl-1H-pyrimidin-2-one,CC1=C(NC(=O)N=C1)N,"InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9)",LRSASMSXMSNRBT-UHFFFAOYSA-N,C5H7N3O,125.13,125.0589119,-0.8,67.5,204,0,2,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"2(1H)-Pyrimidinone, 4-hydrazino-",3310-41-6,197023,6-hydrazinyl-1H-pyrimidin-2-one,C1=C(NC(=O)N=C1)NN,"InChI=1S/C4H6N4O/c5-8-3-1-2-6-4(9)7-3/h1-2H,5H2,(H2,6,7,8,9)",ZMYMWRORNQVELJ-UHFFFAOYSA-N,C4H6N4O,126.12,126.0541608,-2.4,79.5,183,0,3,3,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
2(1H)-PYRIMIDINONE,000557-01-7,68401,1H-pyrimidin-2-one,C1=CNC(=O)N=C1,"InChI=1S/C4H4N2O/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7)",VTGOHKSTWXHQJK-UHFFFAOYSA-N,C4H4N2O,96.09,96.03236276,-1.8,41.5,137,0,1,1,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propanoic acid, 2-(4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-,",087237-48-7,91743,2-ethoxyethyl 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate,CCOCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl,"InChI=1S/C19H19ClF3NO5/c1-3-26-8-9-27-18(25)12(2)28-14-4-6-15(7-5-14)29-17-16(20)10-13(11-24-17)19(21,22)23/h4-7,10-12H,3,8-9H2,1-2H3",MIJLZGZLQLAQCM-UHFFFAOYSA-N,C19H19ClF3NO5,433.8,433.0903849,4.7,66.9,503,0,0,9,10,29,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
FLUAZIFOP BUTYL,069806-50-4,50897,butyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate,CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F,"InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3",VAIZTNZGPYBOGF-UHFFFAOYSA-N,C19H20F3NO4,383.4,383.1344426,4.5,57.7,453,0,0,8,9,27,,165 °C at 0.02 mm Hg,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
FLUAZIFOP-P-BUTYL,079241-46-6,3033674,butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate,CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F,"InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1",VAIZTNZGPYBOGF-CYBMUJFWSA-N,C19H20F3NO4,383.4,383.1344426,4.5,57.7,453,0,0,8,9,27,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"3-Pyridinecarboxylic acid, 2-phenoxy-",35620-71-4,123450,2-phenoxypyridine-3-carboxylic acid,C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)O,"InChI=1S/C12H9NO3/c14-12(15)10-7-4-8-13-11(10)16-9-5-2-1-3-6-9/h1-8H,(H,14,15)",CQGAXJGXGLVFGJ-UHFFFAOYSA-N,C12H9NO3,215.2,215.0582431,2.2,59.4,238,0,1,4,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propanoic acid, 2-(4-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-",69335-91-7,91701,2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid,CC(C(=O)O)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F,"InChI=1S/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21)",YUVKUEAFAVKILW-UHFFFAOYSA-N,C15H12F3NO4,327.25,327.0718424,2.9,68.7,397,0,1,8,5,23,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Propanoic acid, 2-(4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-",69806-34-4,50895,2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid,CC(C(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl,"InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)",GOCUAJYOYBLQRH-UHFFFAOYSA-N,C15H11ClF3NO4,361.7,361.03287,4.2,68.7,429,0,1,8,5,24,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Propanoic acid, 2-(4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, methyl ester",69806-40-2,50896,methyl 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate,CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl,"InChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3",MFSWTRQUCLNFOM-UHFFFAOYSA-N,C16H13ClF3NO4,375.72,375.0485201,4.5,57.7,444,0,0,8,6,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Pyridinecarboxylic acid, 2-(2,4-dichlorophenoxy)-",36701-91-4,215892,"2-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid",C1=CC(=C(N=C1)OC2=C(C=C(C=C2)Cl)Cl)C(=O)O,"InChI=1S/C12H7Cl2NO3/c13-7-3-4-10(9(14)6-7)18-11-8(12(16)17)2-1-5-15-11/h1-6H,(H,16,17)",OEDCZDYPFJEWIH-UHFFFAOYSA-N,C12H7Cl2NO3,284.09,282.9802985,3.5,59.4,303,0,1,4,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GENETICIN DISULFATE,108321-42-2,16218858,"(2S,3S,4S,5S)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(1-hydroxyethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid",CC([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@H]3[C@H]([C@@H]([C@](CO3)(C)O)NC)O)N)N)N)O)O)O.OS(=O)(=O)O.OS(=O)(=O)O,"InChI=1S/C20H40N4O10.2H2O4S/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19;2*1-5(2,3)4/h6-19,24-30H,4-5,21-23H2,1-3H3;2*(H2,1,2,3,4)/t6?,7-,8+,9+,10+,11-,12-,13-,14+,15+,16-,17-,18+,19-,20+;;/m0../s1",UHEPSJJJMTWUCP-NKCAIAFTSA-N,C20H44N4O18S2,692.7,692.2092029,,414,763,0,14,22,6,44,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,1,0,1,1,0,0
"Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(2,6-diamino-2,3",032986-56-4,36294,"(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol",C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N,"InChI=1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1",NLVFBUXFDBBNBW-PBSUHMDJSA-N,C18H37N5O9,467.5,467.2591278,-6.2,268,609,0,10,14,6,32,,,1,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,1,1,1
AMIKACIN,037517-28-5,37768,"(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide",C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N,"InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1",LKCWBDHBTVXHDL-RMDFUYIESA-N,C22H43N5O13,585.6,585.2857364,-7.9,332,819,0,13,17,10,40,,,0,0,1,0,0,0,0,1,0,0,0,0,0,1,0,0,0,1,1,0
AMIKACIN SULFATE,039831-55-5,38351,"(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide;sulfuric acid",C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N.OS(=O)(=O)O.OS(=O)(=O)O,"InChI=1S/C22H43N5O13.2H2O4S/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21;2*1-5(2,3)4/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36);2*(H2,1,2,3,4)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+;;/m0../s1",FXKSEJFHKVNEFI-GCZBSULCSA-N,C22H47N5O21S2,781.8,781.2204959,,498,900,0,17,25,10,50,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0
KANAMYCIN ACID SULFATE,064013-70-3,24721551,"(2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol;sulfuric acid",C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N.OS(=O)(=O)O.OS(=O)(=O)O,"InChI=1S/C18H36N4O11.2H2O4S/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17;2*1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;2*(H2,1,2,3,4)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-;;/m1../s1",OGTKIXVMLDAMNU-KNQICTBBSA-N,C18H40N4O19S2,680.7,680.1728174,,449,720,0,15,23,6,43,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
KANAMYCIN SULFATE,070560-51-9,32943,"2-(aminomethyl)-6-[4,6-diamino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol;sulfuric acid",C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O)N.OS(=O)(=O)O,"InChI=1S/C18H36N4O11.H2O4S/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17;1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;(H2,1,2,3,4)",OOYGSFOGFJDDHP-UHFFFAOYSA-N,C18H38N4O15S,582.6,582.2054377,,366,720,0,13,19,6,38,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
KANAMYCIN MONOSULFATE,025389-94-0,441374,"(2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol;sulfuric acid",C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N.OS(=O)(=O)O,"InChI=1S/C18H36N4O11.H2O4S/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17;1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;(H2,1,2,3,4)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-;/m1./s1",OOYGSFOGFJDDHP-KMCOLRRFSA-N,C18H38N4O15S,582.6,582.2054377,,366,720,0,13,19,6,38,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Antibiotic G-418, sulfate (salt)",49662-05-7,206347,"(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid",C[C@H]([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)O)O)O.OS(=O)(=O)O.OS(=O)(=O)O,"InChI=1S/C20H40N4O10.2H2O4S/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19;2*1-5(2,3)4/h6-19,24-30H,4-5,21-23H2,1-3H3;2*(H2,1,2,3,4)/t6-,7+,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-,18-,19-,20+;;/m1../s1",UHEPSJJJMTWUCP-DHDYTCSHSA-N,C20H44N4O18S2,692.7,692.2092029,,414,763,0,14,22,6,44,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,1,0,1,1,0,0
"Phenol, 2-(1,3,4-oxadiazol-2-yl)-",1008-65-7,13883,"2-(1,3,4-oxadiazol-2-yl)phenol",C1=CC=C(C(=C1)C2=NN=CO2)O,"InChI=1S/C8H6N2O2/c11-7-4-2-1-3-6(7)8-10-9-5-12-8/h1-5,11H",OINXXHYENYVYPB-UHFFFAOYSA-N,C8H6N2O2,162.15,162.0429274,1.1,59.2,154,0,1,4,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,4-Oxadiazole, 2-amino-5-phenyl-",1612-76-6,15363,"5-phenyl-1,3,4-oxadiazol-2-amine",C1=CC=C(C=C1)C2=NN=C(O2)N,"InChI=1S/C8H7N3O/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11)",CQSFYCBGVMWPCM-UHFFFAOYSA-N,C8H7N3O,161.16,161.0589119,0.7,64.9,147,0,1,4,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,4-Oxadiazole, 2-amino-5-(m-chlorophenyl)-",1673-45-6,121151,"5-(3-chlorophenyl)-1,3,4-oxadiazol-2-amine",C1=CC(=CC(=C1)Cl)C2=NN=C(O2)N,"InChI=1S/C8H6ClN3O/c9-6-3-1-2-5(4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)",ZESRETSPEZRIPB-UHFFFAOYSA-N,C8H6ClN3O,195.6,195.0199395,1.7,64.9,181,0,1,4,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,4-Oxadiazole, 2-amino-5-(o-tolyl)-",1750-78-3,15637,"5-(2-methylphenyl)-1,3,4-oxadiazol-2-amine",CC1=CC=CC=C1C2=NN=C(O2)N,"InChI=1S/C9H9N3O/c1-6-4-2-3-5-7(6)8-11-12-9(10)13-8/h2-5H,1H3,(H2,10,12)",FOBZVVKLLZAFGN-UHFFFAOYSA-N,C9H9N3O,175.19,175.0745619,1.4,64.9,176,0,1,4,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,4-Oxadiazole-2-methanol, 5-(3-methylphenyl)-",54014-05-0,3041364,"[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methanol",CC1=CC(=CC=C1)C2=NN=C(O2)CO,"InChI=1S/C10H10N2O2/c1-7-3-2-4-8(5-7)10-12-11-9(6-13)14-10/h2-5,13H,6H2,1H3",HCMBDGSFVLBUGU-UHFFFAOYSA-N,C10H10N2O2,190.2,190.0742276,0.9,59.2,189,0,1,4,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,4-Oxadiazole-2-methanol, 5-(4-chlorophenyl)-",54014-07-2,3041366,"[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanol",C1=CC(=CC=C1C2=NN=C(O2)CO)Cl,"InChI=1S/C9H7ClN2O2/c10-7-3-1-6(2-4-7)9-12-11-8(5-13)14-9/h1-4,13H,5H2",MJZPGYRFLJFAKG-UHFFFAOYSA-N,C9H7ClN2O2,210.62,210.0196052,1.2,59.2,186,0,1,4,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1-BENZOPYRAN-6-OL, 3,4-DIHYDRO-2,5,8-TRIMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)",000148-03-8,6857447,"(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol",CC1=CC(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)O,"InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1",WGVKWNUPNGFDFJ-DQCZWYHMSA-N,C28H48O2,416.7,416.3654308,10.3,29.5,475,0,1,2,12,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
VITAMIN E,010191-41-0,2116,"2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol",CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C,"InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3",GVJHHUAWPYXKBD-UHFFFAOYSA-N,C29H50O2,430.7,430.3810808,10.7,29.5,503,0,1,2,12,31,,BP: 200-220 °C at 0.1 mmHg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2H-1-Benzopyran-3-amine, 3,4-dihydro-N,N,2-trimethyl-",23915-73-3,32142,"N,N,2-trimethyl-3,4-dihydro-2H-chromen-3-amine",CC1C(CC2=CC=CC=C2O1)N(C)C,"InChI=1S/C12H17NO/c1-9-11(13(2)3)8-10-6-4-5-7-12(10)14-9/h4-7,9,11H,8H2,1-3H3",FDJAKSHVOONYHX-UHFFFAOYSA-N,C12H17NO,191.27,191.1310142,2.5,12.5,193,0,0,2,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Chromanamine, 6-methyl-, hydrochloride",54444-97-2,3041594,"6-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride",CC1=CC2=C(C=C1)OCC(C2)N.Cl,"InChI=1S/C10H13NO.ClH/c1-7-2-3-10-8(4-7)5-9(11)6-12-10;/h2-4,9H,5-6,11H2,1H3;1H",BMYNVFMTSSEVRZ-UHFFFAOYSA-N,C10H14ClNO,199.68,199.0763918,,35.3,160,0,2,2,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Chromanamine, 7-methoxy-, hydrochloride",54445-01-1,3041600,"7-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride",COC1=CC2=C(CC(CO2)N)C=C1.Cl,"InChI=1S/C10H13NO2.ClH/c1-12-9-3-2-7-4-8(11)6-13-10(7)5-9;/h2-3,5,8H,4,6,11H2,1H3;1H",MEDKKMCXWLRRSU-UHFFFAOYSA-N,C10H14ClNO2,215.67,215.0713064,,44.5,174,0,2,3,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SUDAN RED 7B,006368-72-5,61396,N-ethyl-1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-amine,CCNC1=C(C2=CC=CC=C2C=C1)N=NC3=CC=C(C=C3)N=NC4=CC=CC=C4,"InChI=1S/C24H21N5/c1-2-25-23-17-12-18-8-6-7-11-22(18)24(23)29-28-21-15-13-20(14-16-21)27-26-19-9-4-3-5-10-19/h3-17,25H,2H2,1H3",VKWNTWQXVLKCSG-UHFFFAOYSA-N,C24H21N5,379.5,379.1796957,7.1,61.5,533,0,1,5,6,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SUDAN III,000085-86-9,62331,1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol,C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=CC4=CC=CC=C43)O,"InChI=1S/C22H16N4O/c27-21-15-10-16-6-4-5-9-20(16)22(21)26-25-19-13-11-18(12-14-19)24-23-17-7-2-1-3-8-17/h1-15,27H",FHNINJWBTRXEBC-UHFFFAOYSA-N,C22H16N4O,352.4,352.1324112,5.9,69.7,508,0,1,5,4,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-NAPHTHALENESULFONAMIDE, N-[2-(ACETYLOXY)ETHYL]-6-HYDROXY-N-METHYL-5-[[4-(PHE",070210-08-1,112387,2-[[6-hydroxy-5-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-yl]sulfonyl-methylamino]ethyl acetate,CC(=O)OCCN(C)S(=O)(=O)C1=CC2=C(C=C1)C(=C(C=C2)O)N=NC3=CC=C(C=C3)N=NC4=CC=CC=C4,"InChI=1S/C27H25N5O5S/c1-19(33)37-17-16-32(2)38(35,36)24-13-14-25-20(18-24)8-15-26(34)27(25)31-30-23-11-9-22(10-12-23)29-28-21-6-4-3-5-7-21/h3-15,18,34H,16-17H2,1-2H3",QYPMQVPIDNIKAJ-UHFFFAOYSA-N,C27H25N5O5S,531.6,531.1576401,5.4,142,925,0,1,10,10,38,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-NAPHTHALENEDISULFONIC ACID, 7-HYDROXY-8-[[4-(PHENYLAZO)PHENYL]AZO]-, POTAS",070321-81-2,166141,"potassium;sodium;7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfonate",C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=CC4=CC(=CC(=C43)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[K+],"InChI=1S/C22H16N4O7S2.K.Na/c27-19-11-6-14-12-18(34(28,29)30)13-20(35(31,32)33)21(14)22(19)26-25-17-9-7-16(8-10-17)24-23-15-4-2-1-3-5-15;;/h1-13,27H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",PADMNBNLZRYDCV-UHFFFAOYSA-L,C22H14KN4NaO7S2,572.6,571.9838669,,201,952,0,1,11,4,37,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 4-[[4-[(2-HYDROXY-1-NAPHTHALENYL)AZO]PHENYL]AZO]-, MONOS",006406-56-0,135404999,sodium 4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]diazenyl]benzenesulfonate,C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)[O-])O.[Na+],"InChI=1S/C22H16N4O4S.Na/c27-21-14-5-15-3-1-2-4-20(15)22(21)26-25-17-8-6-16(7-9-17)23-24-18-10-12-19(13-11-18)31(28,29)30;/h1-14,27H,(H,28,29,30);/q;+1/p-1",QERXHBDEEFLTOL-UHFFFAOYSA-M,C22H15N4NaO4S,454.4,454.0711704,,135,744,0,1,8,5,32,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BIEBRICH SCARLET,004196-99-0,20170,disodium;2-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate,C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+],"InChI=1S/C22H16N4O7S2.2Na/c27-20-12-5-14-3-1-2-4-18(14)22(20)26-25-19-11-8-16(13-21(19)35(31,32)33)24-23-15-6-9-17(10-7-15)34(28,29)30;;/h1-13,27H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",VVAVKBBTPWYADW-UHFFFAOYSA-L,C22H14N4Na2O7S2,556.5,556.0099297,,201,958,0,1,11,4,37,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-(2-(2,5-DIMETHYL-4-2(2-(2-METHYLPHENYL)DIAZENYL)PHENYL)DIAZENYL)-2-NAPHTHALENO",004477-79-6,62541,"1-[[2,5-dimethyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-2-ol",CC1=CC=CC=C1N=NC2=C(C=C(C(=C2)C)N=NC3=C(C=CC4=CC=CC=C43)O)C,"InChI=1S/C25H22N4O/c1-16-8-4-7-11-21(16)26-27-22-14-18(3)23(15-17(22)2)28-29-25-20-10-6-5-9-19(20)12-13-24(25)30/h4-15,30H,1-3H3",NRBKWAQSLYBVSG-UHFFFAOYSA-N,C25H22N4O,394.5,394.1793613,7.5,69.7,608,0,1,5,4,30,,,0,0,0,0,0,1,0,1,0,0,1,0,0,0,0,0,1,1,0,1
"4-ETHENYL-1,3-DIOXOLAN-2-ONE",004427-96-7,2735038,"4-ethenyl-1,3-dioxolan-2-one",C=CC1COC(=O)O1,"InChI=1S/C5H6O3/c1-2-4-3-7-5(6)8-4/h2,4H,1,3H2",BJWMSGRKJIOCNR-UHFFFAOYSA-N,C5H6O3,114.1,114.031694,1,35.5,119,0,0,3,1,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0
"4-FLUORO-1,3-DIOXOLAN-2-ONE",114435-02-8,2769656,"4-fluoro-1,3-dioxolan-2-one",C1C(OC(=O)O1)F,"InChI=1S/C3H3FO3/c4-2-1-6-3(5)7-2/h2H,1H2",SBLRHMKNNHXPHG-UHFFFAOYSA-N,C3H3FO3,106.05,106.0066221,-0.3,35.5,92,0,0,4,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,1,0
ETHYLENE CARBONATE,000096-49-1,7303,"1,3-dioxolan-2-one",C1COC(=O)O1,InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2,KMTRUDSVKNLOMY-UHFFFAOYSA-N,C3H4O3,88.06,88.01604399,0.3,35.5,60,0,0,3,0,6,143 °C,248 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,0
(R)-PROPYLENE CARBONATE,016606-55-6,641813,"(4R)-4-methyl-1,3-dioxolan-2-one",C[C@@H]1COC(=O)O1,"InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3/t3-/m1/s1",RUOJZAUFBMNUDX-GSVOUGTGSA-N,C4H6O3,102.09,102.031694,-0.4,35.5,88,0,0,3,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYLENE CARBONATE-13C3,1173023-62-5,66995588,"(2,4,5-13C3)1,3-dioxolan-2-one",[13CH2]1[13CH2]O[13C](=O)O1,"InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2/i1+1,2+1,3+1",KMTRUDSVKNLOMY-VMIGTVKRSA-N,C3H4O3,91.04,91.02610849,0.3,35.5,60,0,0,3,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-DIOXOLAN-2-ONE, 4,4-DIMETHYL-",004437-69-8,78174,"4,4-dimethyl-1,3-dioxolan-2-one",CC1(COC(=O)O1)C,"InChI=1S/C5H8O3/c1-5(2)3-7-4(6)8-5/h3H2,1-2H3",PUEFXLJYTSRTGI-UHFFFAOYSA-N,C5H8O3,116.11,116.0473441,0.9,35.5,117,0,0,3,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PROPYLENE CARBONATE,000108-32-7,7924,"4-methyl-1,3-dioxolan-2-one",CC1COC(=O)O1,"InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3",RUOJZAUFBMNUDX-UHFFFAOYSA-N,C4H6O3,102.09,102.031694,-0.4,35.5,88,0,0,3,0,7,116 °C (241 °F) - closed cup,241.6 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ETHYLENE CARBONATE-D4,362049-63-6,45039094,"4,4,5,5-tetradeuterio-1,3-dioxolan-2-one",[2H]C1(C(OC(=O)O1)([2H])[2H])[2H],"InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2/i1D2,2D2",KMTRUDSVKNLOMY-LNLMKGTHSA-N,C3H4O3,92.09,92.04115097,0.3,35.5,60,0,0,3,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ETHYLENEIMINE,000151-56-4,9033,aziridine,C1CN1,"InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2",NOWKCMXCCJGMRR-UHFFFAOYSA-N,C2H5N,43.07,43.04219916,-0.4,21.9,10,0,1,1,0,3,"12 °F (EPA, 1998)","131 to 133 °F at 760 mmHg (EPA, 1998)",0,1,1,1,0,1,1,0,1,0,1,0,0,0,0,0,1,0,0,0
TRIMETHOXYSILYLPROPYL MODIFIED POLYETHYLENIMINE,075132-84-2,121233192,aziridine;3-chloropropyl(trimethoxy)silane,CO[Si](CCCCl)(OC)OC.C1CN1,"InChI=1S/C6H15ClO3Si.C2H5N/c1-8-11(9-2,10-3)6-4-5-7;1-2-3-1/h4-6H2,1-3H3;3H,1-2H2",OEZXOWPAXNFLEK-UHFFFAOYSA-N,C8H20ClNO3Si,241.79,241.0900977,,49.6,99,0,1,4,6,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Aziridine, 2,2-dimethyl-",2658-24-4,227244,"2,2-dimethylaziridine",CC1(CN1)C,"InChI=1S/C4H9N/c1-4(2)3-5-4/h5H,3H2,1-2H3",FGRJGEWVJCCOJJ-UHFFFAOYSA-N,C4H9N,71.12,71.07349929,0.2,21.9,47,0,1,1,0,5,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Aziridine, 1-n-butyryl",10431-86-4,25274,1-(aziridin-1-yl)butan-1-one,CCCC(=O)N1CC1,"InChI=1S/C6H11NO/c1-2-3-6(8)7-4-5-7/h2-5H2,1H3",UFWIDNCIQKQRIJ-UHFFFAOYSA-N,C6H11NO,113.16,113.084064,0.3,20.1,96,0,0,1,2,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
PROPYLENEIMINE,000075-55-8,6377,2-methylaziridine,CC1CN1,"InChI=1S/C3H7N/c1-3-2-4-3/h3-4H,2H2,1H3",OZDGMOYKSFPLSE-UHFFFAOYSA-N,C3H7N,57.09,57.05784923,0,21.9,26,0,1,1,0,4,"25 °F (EPA, 1998)","151 to 153 °F at 760 mmHg (EPA, 1998)",0,1,1,1,0,1,1,1,1,0,0,0,0,0,0,0,0,0,0,0
"1-AZIRIDINEPROPANENITRILE, .BETA.-METHYL-",004078-19-7,95713,3-(aziridin-1-yl)butanenitrile,CC(CC#N)N1CC1,"InChI=1S/C6H10N2/c1-6(2-3-7)8-4-5-8/h6H,2,4-5H2,1H3",KMBJEVSXNIUPIH-UHFFFAOYSA-N,C6H10N2,110.16,110.0843983,0.2,26.8,118,0,0,2,2,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"1,4-DIOXANE-D8",017647-74-4,87209,"2,2,3,3,5,5,6,6-octadeuterio-1,4-dioxane",[2H]C1(C(OC(C(O1)([2H])[2H])([2H])[2H])([2H])[2H])[2H],"InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2/i1D2,2D2,3D2,4D2",RYHBNJHYFVUHQT-SVYQBANQSA-N,C4H8O2,96.15,96.10264346,-0.3,18.5,26,0,0,2,0,6,,,0,0,0,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1
"1,4-DIOXANE-2,5-DIOL, 2,3,5,6-TETRAMETHYL-",023147-57-1,90884,"2,3,5,6-tetramethyl-1,4-dioxane-2,5-diol",CC1C(OC(C(O1)(C)O)C)(C)O,"InChI=1S/C8H16O4/c1-5-7(3,9)12-6(2)8(4,10)11-5/h5-6,9-10H,1-4H3",DFMGATPNJMFDCR-UHFFFAOYSA-N,C8H16O4,176.21,176.104859,-0.1,58.9,164,0,2,4,0,12,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"p-Dioxane, dimethyl-",025136-55-4,32803,"2,5-dimethyl-1,4-dioxane",CC1COC(CO1)C,"InChI=1S/C6H12O2/c1-5-3-8-6(2)4-7-5/h5-6H,3-4H2,1-2H3",AWBIJARKDOFDAN-UHFFFAOYSA-N,C6H12O2,116.16,116.0837296,0.6,18.5,62,0,0,2,0,8,"75 °F (NFPA, 2010)",,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
DIOXATHION,000078-34-2,6531,"(3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane",CCOP(=S)(OCC)SC1C(OCCO1)SP(=S)(OCC)OCC,"InChI=1S/C12H26O6P2S4/c1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-12H,5-10H2,1-4H3",VBKKVDGJXVOLNE-UHFFFAOYSA-N,C12H26O6P2S4,456.5,456.0087472,4.3,170,395,0,0,10,12,24,,"140 to 154 °F at 0.5 mmHg (NTP, 1992)",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
GLYCOLALDEHYDE DIMER,023147-58-2,186078,"1,4-dioxane-2,5-diol",C1C(OCC(O1)O)O,"InChI=1S/C4H8O4/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2",ATFVTAOSZBVGHC-UHFFFAOYSA-N,C4H8O4,120.1,120.0422587,-1.3,58.9,64,0,2,4,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIHYDROXYACETONE DIMER",026776-70-5,4180364,"2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol",C1C(OCC(O1)(CO)O)(CO)O,"InChI=1S/C6H12O6/c7-1-5(9)3-12-6(10,2-8)4-11-5/h7-10H,1-4H2",KEQUNHIAUQQPAC-UHFFFAOYSA-N,C6H12O6,180.16,180.0633881,-3.1,99.4,144,0,4,6,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"p-Dioxane, 2,3-dichloro-, trans-",3883-43-0,21766875,"(2S,3S)-2,3-dichloro-1,4-dioxane",C1CO[C@H]([C@@H](O1)Cl)Cl,"InChI=1S/C4H6Cl2O2/c5-3-4(6)8-2-1-7-3/h3-4H,1-2H2/t3-,4-/m1/s1",ZOZUXFQYIYUIND-QWWZWVQMSA-N,C4H6Cl2O2,156.99,155.9744848,1.2,18.5,68,0,0,2,0,8,,,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-CAMPHENE,005794-04-7,440966,"(1S,4R)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane",CC1([C@H]2CC[C@H](C2)C1=C)C,"InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1",CRPUJAZIXJMDBK-BDAKNGLRSA-N,C10H16,136.23,136.1252005,3.3,0,176,0,0,0,0,10,,,1,0,0,0,0,0,1,1,1,1,0,0,0,0,0,0,0,0,0,0
CAMPHENE,000079-92-5,6616,"2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane",CC1(C2CCC(C2)C1=C)C,"InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3",CRPUJAZIXJMDBK-UHFFFAOYSA-N,C10H16,136.23,136.1252005,3.3,0,176,0,0,0,0,10,"92 °F (USCG, 1999)","310 °F at 760 mmHg (USCG, 1999)",1,0,0,0,1,0,1,1,0,1,0,0,0,0,0,0,0,0,0,0
TOXAPHENE,008001-35-2,5284469,"1,4,5,6,7,7-hexachloro-2,2-bis(chloromethyl)-3-methylidenebicyclo[2.2.1]heptane",C=C1C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)(CCl)CCl,"InChI=1S/C10H8Cl8/c1-4-7(2-11,3-12)9(16)6(14)5(13)8(4,15)10(9,17)18/h5-6H,1-3H2",OEJNXTAZZBRGDN-UHFFFAOYSA-N,C10H8Cl8,411.8,411.807522,4.7,0,403,0,0,0,2,18,"84 °F (EPA, 1998)","Decomposes (NTP, 1992)",1,1,0,1,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-(3,3-DIMETHYLBICYCLO[2.2.1]HEPT-2-YLIDENE)-, ACETATE",002226-03-1,6436714,"[(2Z)-2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)ethyl] acetate",CC(=O)OC/C=C\1/C2CCC(C2)C1(C)C,"InChI=1S/C13H20O2/c1-9(14)15-7-6-12-10-4-5-11(8-10)13(12,2)3/h6,10-11H,4-5,7-8H2,1-3H3/b12-6-",DVZKEXVVDIXSMK-SDQBBNPISA-N,C13H20O2,208.3,208.1463299,2.9,26.3,302,0,0,2,3,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-PENTEN-1-OL, 2-METHYL-5-(2-METHYL-3-METHYLENEBICYCLO[2.2.1]HEPT-2-YL)-, [1S-",000077-42-9,6857681,"(Z)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol",C/C(=C/CC[C@@]1([C@H]2CC[C@H](C2)C1=C)C)/CO,"InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5-/t13-,14+,15+/m1/s1",OJYKYCDSGQGTRJ-GQYWAMEOSA-N,C15H24O,220.35,220.1827154,4,20.2,315,0,1,1,4,16,,311.00 to 313.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"ETHANOL, 2-(3,3-DIMETHYLBICYCLO[2.2.1]HEPT-2-YLIDENE)-, (E)-",058437-71-1,5369964,"(2E)-2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)ethanol",CC\1(C2CCC(C2)/C1=C\CO)C,"InChI=1S/C11H18O/c1-11(2)9-4-3-8(7-9)10(11)5-6-12/h5,8-9,12H,3-4,6-7H2,1-2H3/b10-5+",JGDHOHFQJJATNG-BJMVGYQFSA-N,C11H18O,166.26,166.1357652,2.3,20.2,215,0,1,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
SANTALOL,011031-45-1,12315259,"(E)-2-methyl-5-[(1S,2S,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol",C/C(=C\CC[C@]1([C@H]2CC[C@H](C2)C1=C)C)/CO,"InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5+/t13-,14+,15-/m1/s1",OJYKYCDSGQGTRJ-INLOORNJSA-N,C15H24O,220.35,220.1827154,4,20.2,315,0,1,1,4,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"4-PIPERIDINONE, 2,2,6,6-TETRAMETHYL-",000826-36-8,13220,"2,2,6,6-tetramethylpiperidin-4-one",CC1(CC(=O)CC(N1)(C)C)C,"InChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3",JWUXJYZVKZKLTJ-UHFFFAOYSA-N,C9H17NO,155.24,155.1310142,0.5,29.1,164,0,1,2,0,11,,,0,0,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,1,0,1
"4-PIPERIDINONE, 3,5-DIBROMO-2,2,6,6-TETRAMETHYL-, HYDROBROMIDE",019971-12-1,89251,"3,5-dibromo-2,2,6,6-tetramethylpiperidin-4-one;hydrobromide",CC1(C(C(=O)C(C(N1)(C)C)Br)Br)C.Br,"InChI=1S/C9H15Br2NO.BrH/c1-8(2)6(10)5(13)7(11)9(3,4)12-8;/h6-7,12H,1-4H3;1H",VMHVSXXACDJVRL-UHFFFAOYSA-N,C9H16Br3NO,393.94,392.87615,,29.1,216,0,2,2,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-PIPERIDONE,041661-47-6,33721,piperidin-4-one,C1CNCCC1=O,"InChI=1S/C5H9NO/c7-5-1-3-6-4-2-5/h6H,1-4H2",VRJHQPZVIGNGMX-UHFFFAOYSA-N,C5H9NO,99.13,99.06841391,-0.7,29.1,72,0,1,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-PIPERIDONE HYDROCHLORIDE MONOHYDRATE,040064-34-4,2723901,piperidin-4-one;hydrate;hydrochloride,C1CNCCC1=O.O.Cl,"InChI=1S/C5H9NO.ClH.H2O/c7-5-1-3-6-4-2-5;;/h6H,1-4H2;1H;1H2",SXWRTZOXMUOJER-UHFFFAOYSA-N,C5H12ClNO2,153.61,153.0556563,,30.1,72,0,3,3,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Nipecotic acid, 1-methyl-4-oxo-, methyl ester, hydrochloride",13049-77-9,2771296,methyl 1-methyl-4-oxopiperidine-3-carboxylate;hydrochloride,CN1CCC(=O)C(C1)C(=O)OC.Cl,"InChI=1S/C8H13NO3.ClH/c1-9-4-3-7(10)6(5-9)8(11)12-2;/h6H,3-5H2,1-2H3;1H",XZHNOMMEHHXDTP-UHFFFAOYSA-N,C8H14ClNO3,207.65,207.066221,,46.6,202,0,1,4,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Piperidinone, N-nitroso-",55556-91-7,41469,1-nitrosopiperidin-4-one,C1CN(CCC1=O)N=O,InChI=1S/C5H8N2O2/c8-5-1-3-7(6-9)4-2-5/h1-4H2,ADLADNOVIJYIMA-UHFFFAOYSA-N,C5H8N2O2,128.13,128.0585775,-0.5,49.7,125,0,0,4,0,9,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
THIAZOLIDINE,000504-78-9,10444,"1,3-thiazolidine",C1CSCN1,"InChI=1S/C3H7NS/c1-2-5-3-4-1/h4H,1-3H2",OGYGFUAIIOPWQD-UHFFFAOYSA-N,C3H7NS,89.16,89.0299204,0.3,37.3,30,0,1,2,0,5,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
4-Thiazolidinecarboxylic acid,000444-27-9,9934,"1,3-thiazolidine-4-carboxylic acid",C1C(NCS1)C(=O)O,"InChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)",DZLNHFMRPBPULJ-UHFFFAOYSA-N,C4H7NO2S,133.17,133.0197496,-2.3,74.6,106,0,2,4,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4-Thiazolidinecarboxylic acid, 2-methyl-, L-",7347-97-9,160736,"2-methyl-1,3-thiazolidine-4-carboxylic acid",CC1NC(CS1)C(=O)O,"InChI=1S/C5H9NO2S/c1-3-6-4(2-9-3)5(7)8/h3-4,6H,2H2,1H3,(H,7,8)",FHTPNEYXMGZOSH-UHFFFAOYSA-N,C5H9NO2S,147.2,147.0353997,-1.9,74.6,128,0,2,4,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiazolidine, 2-methyl-",24050-16-6,32196,"2-methyl-1,3-thiazolidine",CC1NCCS1,"InChI=1S/C4H9NS/c1-4-5-2-3-6-4/h4-5H,2-3H2,1H3",DQMLFUMEBNHPPB-UHFFFAOYSA-N,C4H9NS,103.19,103.0455705,0.7,37.3,46,0,1,2,0,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"4-Thiazolidinecarboxylic acid, L-",34592-47-7,93176,"(4R)-1,3-thiazolidine-4-carboxylic acid",C1[C@H](NCS1)C(=O)O,"InChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1",DZLNHFMRPBPULJ-VKHMYHEASA-N,C4H7NO2S,133.17,133.0197496,-2.3,74.6,106,0,2,4,1,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Thiazolidinecarboxylic acid, sodium salt",35041-11-3,23686667,"sodium 1,3-thiazolidine-4-carboxylate",C1C(NCS1)C(=O)[O-].[Na+],"InChI=1S/C4H7NO2S.Na/c6-4(7)3-1-8-2-5-3;/h3,5H,1-2H2,(H,6,7);/q;+1/p-1",YWLXEQKAKDKVBQ-UHFFFAOYSA-M,C4H6NNaO2S,155.15,155.0016939,,77.5,111,0,1,4,1,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Thiazolidinecarboxylic acid, D-",45521-09-3,198253,"(4S)-1,3-thiazolidine-4-carboxylic acid",C1[C@@H](NCS1)C(=O)O,"InChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m1/s1",DZLNHFMRPBPULJ-GSVOUGTGSA-N,C4H7NO2S,133.17,133.0197496,-2.3,74.6,106,0,2,4,1,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-THIAZOLIDINECARBOXYLIC ACID, 3-ACETYL-",005025-82-1,98928,"3-acetyl-1,3-thiazolidine-4-carboxylic acid",CC(=O)N1CSCC1C(=O)O,"InChI=1S/C6H9NO3S/c1-4(8)7-3-11-2-5(7)6(9)10/h5H,2-3H2,1H3,(H,9,10)",WXTBYSIPOKXCPM-UHFFFAOYSA-N,C6H9NO3S,175.21,175.0303143,-0.1,82.9,194,0,1,4,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TETRAPHENYLBORON LITHIUM TRIS(1,2-DIMETHOXYETHANE)",075965-35-4,23681136,"lithium;tris(1,2-dimethoxyethane);tetraphenylboranuide",[Li+].[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.COCCOC.COCCOC.COCCOC,"InChI=1S/C24H20B.3C4H10O2.Li/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;3*1-5-3-4-6-2;/h1-20H;3*3-4H2,1-2H3;/q-1;;;;+1",ADYUZFWVPWDPFK-UHFFFAOYSA-N,C36H50BLiO6,596.6,596.3860479,,55.4,325,0,0,7,9,44,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
SODIUM TETRAPHENYLBORON,000143-66-8,2723787,sodium tetraphenylboranuide,[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Na+],"InChI=1S/C24H20B.Na/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;/q-1;+1",HFSRCEJMTLMDLI-UHFFFAOYSA-N,C24H20BNa,342.2,342.1555751,,0,308,0,0,1,0,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SODIUM TETRAKIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]BORATE",079060-88-1,23681909,"sodium tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide",[B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.[Na+],"InChI=1S/C32H12BF24.Na/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;/h1-12H;/q-1;+1",LTGMONZOZHXAHO-UHFFFAOYSA-N,C32H12BF24Na,886.2,886.0546507,,0,1060,0,0,25,0,58,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CESIUM TETRAPHENYLBORATE,003087-82-9,23678324,cesium tetraphenylboranuide,[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cs+],"InChI=1S/C24H20B.Cs/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;/q-1;+1",UNGHRMDIEUCTPZ-UHFFFAOYSA-N,C24H20BCs,452.1,452.0712578,,0,308,0,0,1,0,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM TETRAKIS(4-FLUOROPHENYL)BORATE DIHYDRATE,207683-22-5,45073643,sodium;tetrakis(4-fluorophenyl)boranuide;dihydrate,[B-](C1=CC=C(C=C1)F)(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.O.O.[Na+],"InChI=1S/C24H16BF4.Na.2H2O/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;;;/h1-16H;;2*1H2/q-1;+1;;",MSDGDEJOIBMWJD-UHFFFAOYSA-N,C24H20BF4NaO2,450.2,450.139017,,2,410,0,2,7,0,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM TETRAPHENYL BORATE; (DATA FROM MSDS),003244-41-5,23665558,potassium tetraphenylboranuide,[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[K+],"InChI=1S/C24H20B.K/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;/q-1;+1",MAMCUZQNCMYPCY-UHFFFAOYSA-N,C24H20BK,358.3,358.1295123,,0,308,0,0,1,0,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRABUTYLAMMONIUM TETRAPHENYLBORATE,015522-59-5,3084234,tetrabutylazanium;tetraphenylboranuide,[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CCCC[N+](CCCC)(CCCC)CCCC,"InChI=1S/C24H20B.C16H36N/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h1-20H;5-16H2,1-4H3/q-1;+1",ZHCCBGAUZWZGQV-UHFFFAOYSA-N,C40H56BN,561.7,561.450581,,0,417,0,0,1,16,42,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LITHIUM TETRAKIS(PENTAFLUOROPHENYL)BORATE - ETHYL ETHER COMPLEX,155543-02-5,23701484,"lithium;ethoxyethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide",[Li+].[B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.CCOCC,"InChI=1S/C24BF20.C4H10O.Li/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;1-3-5-4-2;/h;3-4H2,1-2H3;/q-1;;+1",KPLZKJQZPFREPG-UHFFFAOYSA-N,C28H10BF20LiO,760.1,760.0665368,,9.2,826,0,0,22,2,51,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COCAINE-D3,065266-73-1,71314969,"trideuteriomethyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate",[2H]C([2H])([2H])OC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1OC(=O)C3=CC=CC=C3,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1/i2D3",ZPUCINDJVBIVPJ-JTIQJQJFSA-N,C17H21NO4,306.37,306.1658884,2.3,55.8,432,0,0,5,5,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, benzoate (ester), hydrochloride",000637-23-0,12444544,"[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] benzoate;hydrochloride",CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CC=CC=C3.Cl,"InChI=1S/C15H19NO2.ClH/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11;/h2-6,12-14H,7-10H2,1H3;1H/t12-,13+,14?;",MMAGCXHWOMQWKW-LIWIJTDLSA-N,C15H20ClNO2,281.78,281.1182566,,29.5,298,0,1,3,3,19,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1
COCAINE HYDROCHLORIDE,000053-21-4,656832,"methyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride",CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC.Cl,"InChI=1S/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12-,13+,14-,15+;/m0./s1",PIQVDUKEQYOJNR-VZXSFKIWSA-N,C17H22ClNO4,339.8,339.1237359,,55.8,432,0,1,5,5,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,1,0,0
BENZOYLECGONINE (COCAINE METABOLITE),000519-09-5,448223,"(1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid",CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)O,"InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1",GVGYEFKIHJTNQZ-RFQIPJPRSA-N,C16H19NO4,289.33,289.1314081,-0.3,66.8,419,0,1,5,4,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZOYLECGONINE TETRAHYDRATE,,70582074,"(1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid;tetrahydrate",CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)O.O.O.O.O,"InChI=1S/C16H19NO4.4H2O/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10;;;;/h2-6,11-14H,7-9H2,1H3,(H,18,19);4*1H2/t11-,12+,13-,14+;;;;/m0..../s1",QJGRIEQXYYYAMR-JBLKBCCSSA-N,C16H27NO8,361.39,361.1736668,,70.8,419,0,5,9,4,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-alpha-H,5-alpha-H-Nortropane-2-beta-carboxylic acid, 3-beta-hydroxy-, methyl ester,benzoate (ester)",18717-72-1,644007,"methyl (1R,2R,3S,5S)-3-benzoyloxy-8-azabicyclo[3.2.1]octane-2-carboxylate",COC(=O)[C@@H]1[C@H]2CC[C@H](N2)C[C@@H]1OC(=O)C3=CC=CC=C3,"InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11-,12+,13-,14+/m0/s1",AYDBLCSLKNTEJL-RFQIPJPRSA-N,C16H19NO4,289.33,289.1314081,1.8,64.6,405,0,1,5,5,21,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0
"8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-, methyl ester, hydrochloride,(1R-(exo,exo))-",61585-22-6,3046136,"methyl (1R,2R,3S,5S)-3-benzoyloxy-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride",COC(=O)[C@@H]1[C@H]2CC[C@H](N2)C[C@@H]1OC(=O)C3=CC=CC=C3.Cl,"InChI=1S/C16H19NO4.ClH/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10;/h2-6,11-14,17H,7-9H2,1H3;1H/t11-,12+,13-,14+;/m0./s1",RIPPXFWUYXTRNJ-BHARVXRSSA-N,C16H20ClNO4,325.79,325.1080858,,64.6,405,0,2,5,5,22,,,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1
"8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, ethyl ester,(1R-(exo,exo))-",529-38-4,644006,"ethyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate",CCOC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1OC(=O)C3=CC=CC=C3,"InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15-,16+/m0/s1",NMPOSNRHZIWLLL-XUWVNRHRSA-N,C18H23NO4,317.4,317.1627082,2.7,55.8,446,0,0,5,6,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
N-PHENYLMALEIMIDE,000941-69-5,13662,"1-phenylpyrrole-2,5-dione",C1=CC=C(C=C1)N2C(=O)C=CC2=O,InChI=1S/C10H7NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-7H,HIDBROSJWZYGSZ-UHFFFAOYSA-N,C10H7NO2,173.17,173.0476785,1.1,37.4,246,0,0,2,1,13,,"324 °F at 12 mmHg (NTP, 1992)",1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"Maleimide, N-(o-chlorophenyl)-",1203-24-3,14550,"1-(2-chlorophenyl)pyrrole-2,5-dione",C1=CC=C(C(=C1)N2C(=O)C=CC2=O)Cl,InChI=1S/C10H6ClNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H,KPQOXMCRYWDRSB-UHFFFAOYSA-N,C10H6ClNO2,207.61,207.0087061,0.9,37.4,282,0,0,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Maleimide, N-p-tolyl-",1631-28-3,15399,"1-(4-methylphenyl)pyrrole-2,5-dione",CC1=CC=C(C=C1)N2C(=O)C=CC2=O,"InChI=1S/C11H9NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-7H,1H3",KCFXNGDHQPMIAQ-UHFFFAOYSA-N,C11H9NO2,187.19,187.0633285,1.5,37.4,270,0,0,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Maleimide, N-(4-(dimethylamino)-3,5-dinitrophenyl)-",3475-74-9,18990,"1-[4-(dimethylamino)-3,5-dinitrophenyl]pyrrole-2,5-dione",CN(C)C1=C(C=C(C=C1[N+](=O)[O-])N2C(=O)C=CC2=O)[N+](=O)[O-],"InChI=1S/C12H10N4O6/c1-13(2)12-8(15(19)20)5-7(6-9(12)16(21)22)14-10(17)3-4-11(14)18/h3-6H,1-2H3",QPYAUURPGVXHFK-UHFFFAOYSA-N,C12H10N4O6,306.23,306.0600341,0.8,132,507,0,0,7,2,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Maleimide, N-o-tolyl-",4067-01-0,19989,"1-(2-methylphenyl)pyrrole-2,5-dione",CC1=CC=CC=C1N2C(=O)C=CC2=O,"InChI=1S/C11H9NO2/c1-8-4-2-3-5-9(8)12-10(13)6-7-11(12)14/h2-7H,1H3",QYOJZFBQEAZNEW-UHFFFAOYSA-N,C11H9NO2,187.19,187.0633285,0.6,37.4,278,0,0,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Maleimide, N-2,3-xylyl-",31581-09-6,93153,"1-(2,3-dimethylphenyl)pyrrole-2,5-dione",CC1=C(C(=CC=C1)N2C(=O)C=CC2=O)C,"InChI=1S/C12H11NO2/c1-8-4-3-5-10(9(8)2)13-11(14)6-7-12(13)15/h3-7H,1-2H3",UOZNXGJVAWDLQK-UHFFFAOYSA-N,C12H11NO2,201.22,201.0789786,1.8,37.4,304,0,0,2,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Maleimide, N-(o-nitrophenyl)-",2973-15-1,18097,"1-(2-nitrophenyl)pyrrole-2,5-dione",C1=CC=C(C(=C1)N2C(=O)C=CC2=O)[N+](=O)[O-],InChI=1S/C10H6N2O4/c13-9-5-6-10(14)11(9)7-3-1-2-4-8(7)12(15)16/h1-6H,SCXAYTWCHGRQPA-UHFFFAOYSA-N,C10H6N2O4,218.17,218.0327567,0.7,83.2,354,0,0,4,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
LEVORPHANOL (LEVO-DROMORAN),000077-07-6,5359272,"(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol",CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O,"InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1",JAQUASYNZVUNQP-USXIJHARSA-N,C17H23NO,257.37,257.1779644,3.1,23.5,357,0,1,2,0,19,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,1
LEVOMETHORPHAN,000125-70-2,5362449,"(1R,9R,10R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene",CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)OC,"InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m0/s1",MKXZASYAUGDDCJ-CGTJXYLNSA-N,C18H25NO,271.4,271.1936144,3.4,12.5,370,0,0,2,1,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9-alpha,13-alpha,14-alpha-Morphinan-3-ol, 17-methyl-",000125-73-5,5360697,"(1S,9S,10S)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol",CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)O,"InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m1/s1",JAQUASYNZVUNQP-PVAVHDDUSA-N,C17H23NO,257.37,257.1779644,3.1,23.5,357,0,1,2,0,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Morphinan, 3-methoxy-N-methyl-, hydrobromide, (+)-",125-69-9,5464025,"(1S,9S,10S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrobromide",CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC.Br,"InChI=1S/C18H25NO.BrH/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18;/h6-7,12,15,17H,3-5,8-11H2,1-2H3;1H/t15-,17+,18+;/m1./s1",MISZALMBODQYFT-URVXVIKDSA-N,C18H26BrNO,352.3,351.11978,,12.5,370,0,1,2,1,21,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Morphinan-3-ol, 17-methyl-, tartrate (1:1) (salt), (+)-",143-98-6,5484438,"(2R,3R)-2,3-dihydroxybutanedioic acid;(1S,9S,10S)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol",CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C17H23NO.C4H6O6/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17;5-1(3(7)8)2(6)4(9)10/h5-6,11,14,16,19H,2-4,7-10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t14-,16+,17+;1-,2-/m11/s1",RWTWIZDKEIWLKQ-XCPWPWHNSA-N,C21H29NO7,407.5,407.1944023,,139,491,0,5,8,3,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Morphinan-3-ol, N-methyl-, D-tartrate, dihydrate (1:1), (-)-",5985-38-6,5462348,"(2R,3R)-2,3-dihydroxybutanedioic acid;(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;dihydrate",CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.O.O,"InChI=1S/C17H23NO.C4H6O6.2H2O/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17;5-1(3(7)8)2(6)4(9)10;;/h5-6,11,14,16,19H,2-4,7-10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10);2*1H2/t14-,16+,17+;1-,2-;;/m01../s1",UMZNDVASJKIQCB-QLFXFZCRSA-N,C21H33NO9,443.5,443.2155316,,141,491,0,7,10,3,31,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0
5-NITROBENZOTRIAZOLE,002338-12-7,61301,5-nitro-2H-benzotriazole,C1=CC2=NNN=C2C=C1[N+](=O)[O-],"InChI=1S/C6H4N4O2/c11-10(12)4-1-2-5-6(3-4)8-9-7-5/h1-3H,(H,7,8,9)",AOCDQWRMYHJTMY-UHFFFAOYSA-N,C6H4N4O2,164.12,164.0334254,0.9,87.4,192,0,1,4,0,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-BENZOTRIAZOLE, 5-CHLORO-",000094-97-3,66760,5-chloro-2H-benzotriazole,C1=CC2=NNN=C2C=C1Cl,"InChI=1S/C6H4ClN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10)",PZBQVZFITSVHAW-UHFFFAOYSA-N,C6H4ClN3,153.57,153.0093748,1.7,41.6,130,0,1,2,0,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-BENZOTRIAZOLE, SULFATE (1:1)",024694-40-4,18466342,2H-benzotriazole;sulfuric acid,C1=CC2=NNN=C2C=C1.OS(=O)(=O)O,"InChI=1S/C6H5N3.H2O4S/c1-2-4-6-5(3-1)7-9-8-6;1-5(2,3)4/h1-4H,(H,7,8,9);(H2,1,2,3,4)",SSTKJQDDMQGGKR-UHFFFAOYSA-N,C6H7N3O4S,217.21,217.0157269,,125,174,0,3,6,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
METHYLBENZOTRIAZOLE,,122499,4-methyl-2H-benzotriazole,CC1=CC=CC2=NNN=C12,"InChI=1S/C7H7N3/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3,(H,8,9,10)",CMGDVUCDZOBDNL-UHFFFAOYSA-N,C7H7N3,133.15,133.0639972,1.4,41.6,126,0,1,2,0,10,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
1H-BENZOTRIAZOL-5-AMINE,003325-11-9,76844,2H-benzotriazol-5-amine,C1=CC2=NNN=C2C=C1N,"InChI=1S/C6H6N4/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,7H2,(H,8,9,10)",XSFHICWNEBCMNN-UHFFFAOYSA-N,C6H6N4,134.14,134.0592462,0.3,67.6,127,0,2,3,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZOTRIAZOLE-5-CARBOXYLIC ACID,023814-12-2,72917,2H-benzotriazole-5-carboxylic acid,C1=CC2=NNN=C2C=C1C(=O)O,"InChI=1S/C7H5N3O2/c11-7(12)4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,11,12)(H,8,9,10)",GUOVBFFLXKJFEE-UHFFFAOYSA-N,C7H5N3O2,163.13,163.0381764,0.5,78.9,197,0,2,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-METHYL-1H-BENZOTRIAZOLE,000136-85-6,8705,5-methyl-2H-benzotriazole,CC1=CC2=NNN=C2C=C1,"InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)",LRUDIIUSNGCQKF-UHFFFAOYSA-N,C7H7N3,133.15,133.0639972,1.4,41.6,126,0,1,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRABUTYLPHOSPHONIUM BENZOTRIAZALATE,109348-55-2,163799,2H-benzotriazole;tetrabutylphosphanium,CCCC[P+](CCCC)(CCCC)CCCC.C1=CC2=NNN=C2C=C1,"InChI=1S/C16H36P.C6H5N3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-4-6-5(3-1)7-9-8-6/h5-16H2,1-4H3;1-4H,(H,7,8,9)/q+1;",WANXHMXXVLVMSK-UHFFFAOYSA-N,C22H41N3P+,378.6,378.3038103,,41.6,209,1,1,2,12,26,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
BENZOTRIAZOLE,000095-14-7,7220,2H-benzotriazole,C1=CC2=NNN=C2C=C1,"InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)",QRUDEWIWKLJBPS-UHFFFAOYSA-N,C6H5N3,119.12,119.0483472,1,41.6,92,0,1,2,0,9,170 °C (338 °F) - closed cup,"399 °F at 15 mmHg (NTP, 1992)",0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-CHLORO-1-{4-[(3-CHLOROPHENYL)METHYL]PIPERAZIN-1-YL}ETHAN-1-ONE HYDROCHLORIDE,1171964-76-3,42920714,2-chloro-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone;hydrochloride,C1CN(CCN1CC2=CC(=CC=C2)Cl)C(=O)CCl.Cl,"InChI=1S/C13H16Cl2N2O.ClH/c14-9-13(18)17-6-4-16(5-7-17)10-11-2-1-3-12(15)8-11;/h1-3,8H,4-7,9-10H2;1H",HEDUUHOJLNXVDR-UHFFFAOYSA-N,C13H17Cl3N2O,323.6,322.040646,,23.6,280,0,1,2,3,19,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-((4-METHYL-1-PIPERAZINYL)METHYL)-BENZOIC ACID DIHYDROCHLORIDE,106261-49-8,10335346,4-[(4-methylpiperazin-1-yl)methyl]benzoic acid;dihydrochloride,CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)O.Cl.Cl,"InChI=1S/C13H18N2O2.2ClH/c1-14-6-8-15(9-7-14)10-11-2-4-12(5-3-11)13(16)17;;/h2-5H,6-10H2,1H3,(H,16,17);2*1H",ISHROKOWRJDOSN-UHFFFAOYSA-N,C13H20Cl2N2O2,307.21,306.0901833,,43.8,254,0,3,4,3,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"Piperazine, 1-(m-methylbenzyl)-",5321-48-2,79213,1-[(3-methylphenyl)methyl]piperazine,CC1=CC(=CC=C1)CN2CCNCC2,"InChI=1S/C12H18N2/c1-11-3-2-4-12(9-11)10-14-7-5-13-6-8-14/h2-4,9,13H,5-8,10H2,1H3",VTEOTZPEMDQENX-UHFFFAOYSA-N,C12H18N2,190.28,190.1469986,1.5,15.3,164,0,1,2,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Piperazinecarboxamidine, 4-benzyl-",7773-69-5,160903,4-benzylpiperazine-1-carboximidamide,C1CN(CCN1CC2=CC=CC=C2)C(=N)N,"InChI=1S/C12H18N4/c13-12(14)16-8-6-15(7-9-16)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H3,13,14)",GQXJKWWOHZLFEG-UHFFFAOYSA-N,C12H18N4,218.3,218.1531466,0.5,56.4,227,0,2,2,3,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperazine, 1-(2,3,4-trimethoxybenzyl)-, dihydrochloride",13171-25-0,83201,"1-[(2,3,4-trimethoxyphenyl)methyl]piperazine;dihydrochloride",COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC.Cl.Cl,"InChI=1S/C14H22N2O3.2ClH/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16;;/h4-5,15H,6-10H2,1-3H3;2*1H",VYFLPFGUVGMBEP-UHFFFAOYSA-N,C14H24Cl2N2O3,339.3,338.116398,,43,259,0,3,5,5,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Piperazineethanol, beta-(p-fluorophenyl)-",,11972041,2-(4-fluorophenyl)-2-piperazin-1-ylethanol,C1CN(CCN1)C(CO)C2=CC=C(C=C2)F,"InChI=1S/C12H17FN2O/c13-11-3-1-10(2-4-11)12(9-16)15-7-5-14-6-8-15/h1-4,12,14,16H,5-9H2",SHOJFVWBAXHOEC-UHFFFAOYSA-N,C12H17FN2O,224.27,224.1324913,0.6,35.5,201,0,2,4,3,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N-BENZYLPIPERAZINE (BZP, 1-BENZYLPIPERAZINE)",002759-28-6,75994,1-benzylpiperazine,C1CN(CCN1)CC2=CC=CC=C2,"InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2",IQXXEPZFOOTTBA-UHFFFAOYSA-N,C11H16N2,176.26,176.1313485,1.3,15.3,135,0,1,2,2,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
17-beta-hydroxy-17-methyl-5-alpha-Androstan-3-one,000521-11-9,10633,"(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one",C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C,"InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13,15-17,22H,4-12H2,1-3H3/t13-,15+,16-,17-,18-,19-,20-/m0/s1",WYZDXEKUWRCKOB-YDSAWKJFSA-N,C20H32O2,304.5,304.2402303,3.8,37.3,500,0,1,2,0,22,,,0,1,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
ANDROSTANOLONE,000521-18-6,10635,"(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one",C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1",NVKAWKQGWWIWPM-ABEVXSGRSA-N,C19H30O2,290.4,290.2245802,3.7,37.3,458,0,1,2,0,21,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
17-beta-hydroxy-2-alpha-methyl-5-alpha-Androstan-3-one,000058-19-5,6011,"(2R,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one",C[C@@H]1C[C@]2([C@@H](CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)CC1=O)C,"InChI=1S/C20H32O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h12-16,18,22H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,18+,19+,20+/m1/s1",IKXILDNPCZPPRV-RFMGOVQKSA-N,C20H32O2,304.5,304.2402303,4.2,37.3,486,0,1,2,0,22,,190.00 to 192.00 °C. @ 760.00 mm Hg,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
METHASTERONE,003381-88-2,237186,"(2R,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2,10,13,17-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one",C[C@@H]1C[C@]2([C@@H](CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C)CC1=O)C,"InChI=1S/C21H34O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h13-17,23H,5-12H2,1-4H3/t13-,14+,15-,16+,17+,19+,20+,21+/m1/s1",QCWCXSMWLJFBNM-FOVYBZIDSA-N,C21H34O2,318.5,318.2558803,4.5,37.3,528,0,1,2,0,23,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"5-alpha-Pregnane-3,20-dione",566-65-4,92810,"(5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one",CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16-,17+,18-,19-,20-,21+/m0/s1",XMRPGKVKISIQBV-BJMCWZGWSA-N,C21H32O2,316.5,316.2402303,4.4,34.1,538,0,0,2,1,23,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"5-alpha-Androstan-3-one, 17-beta-hydroxy-2-alpha-methyl-, propionate",521-12-0,224004,"[(2R,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] propanoate",CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@H](C(=O)C4)C)C)C,"InChI=1S/C23H36O3/c1-5-21(25)26-20-9-8-17-16-7-6-15-12-19(24)14(2)13-23(15,4)18(16)10-11-22(17,20)3/h14-18,20H,5-13H2,1-4H3/t14-,15+,16+,17+,18+,20+,22+,23+/m1/s1",NOTIQUSPUUHHEH-UXOVVSIBSA-N,C23H36O3,360.5,360.266445,5.3,43.4,598,0,0,3,3,26,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"5-beta-Cholan-24-oic acid, 3-oxo-",1553-56-6,5283906,"(4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid",C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C,"InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)/t15-,16-,18+,19-,20+,21+,23+,24-/m1/s1",KIQFUORWRVZTHT-OPTMKGCMSA-N,C24H38O3,374.6,374.2820951,5.8,54.4,613,0,1,3,4,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
MEGESTROL ACETATE,000595-33-5,11683,"[(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate",CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C,"InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1",RQZAXGRLVPAYTJ-GQFGMJRRSA-N,C24H32O4,384.5,384.2300595,3.1,60.4,820,0,0,4,3,28,,,0,1,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"17-alpha-Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, monopotassium",002181-04-6,23671691,"potassium 3-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate",C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(CCC(=O)[O-])O)C.[K+],"InChI=1S/C22H30O4.K/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21,26)12-8-19(24)25;/h3-4,13,16-18,26H,5-12H2,1-2H3,(H,24,25);/q;+1/p-1/t16-,17+,18+,20+,21+,22-;/m1./s1",JTZQCHFUGHIPDF-RYVBEKKQSA-M,C22H29KO4,396.6,396.1702909,,77.4,713,0,1,4,3,27,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
CHLORMADINONE,000302-22-7,9324,"[(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate",CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)CC[C@]34C)Cl)C)OC(=O)C,"InChI=1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1",QMBJSIBWORFWQT-DFXBJWIESA-N,C23H29ClO4,404.9,404.1754371,3.6,60.4,826,0,0,4,3,28,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"19-Norpregna-4,6-diene-3,20-dione, 17-alpha-hydroxy-6-methyl-, acetate",058652-20-3,91668,"[(8S,9S,10R,13S,14S,17R)-17-acetyl-6,13-dimethyl-3-oxo-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate",CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@H]4C1=CC(=O)CC4,"InChI=1S/C23H30O4/c1-13-11-20-18(17-6-5-16(26)12-19(13)17)7-9-22(4)21(20)8-10-23(22,14(2)24)27-15(3)25/h11-12,17-18,20-21H,5-10H2,1-4H3/t17-,18-,20-,21+,22+,23+/m1/s1",IIVBFTNIGYRNQY-YQLZSBIMSA-N,C23H30O4,370.5,370.2144094,2.6,60.4,775,0,0,4,3,27,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Pregna-4,6-diene-3,20-dione, 6,17-dimethyl-",000977-79-7,9949848,"(8R,9S,10R,13S,14S,17S)-17-acetyl-6,10,13,17-tetramethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one",CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@]3(C)C(=O)C)C)[C@@]4(C1=CC(=O)CC4)C,"InChI=1S/C23H32O2/c1-14-12-17-18(21(3)9-6-16(25)13-20(14)21)7-11-23(5)19(17)8-10-22(23,4)15(2)24/h12-13,17-19H,6-11H2,1-5H3/t17-,18+,19+,21-,22-,23+/m1/s1",HCFSGRMEEXUOSS-JXEXPEPMSA-N,C23H32O2,340.5,340.2402303,4.1,34.1,714,0,0,2,1,25,,467.17ºC at 760 mmHg,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"9-beta,10-alpha-Pregna-4,6-diene-3,20-dione",000152-62-5,9051,"(8S,9R,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one",CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2C=CC4=CC(=O)CC[C@@]34C)C,"InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m0/s1",JGMOKGBVKVMRFX-HQZYFCCVSA-N,C21H28O2,312.4,312.2089301,3.8,34.1,628,0,0,2,1,23,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Pregna-4,6-diene-3,20-dione, 17-hydroxy-6-methyl-",3562-63-8,19090,"(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one",CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C,"InChI=1S/C22H30O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h11-12,16-18,25H,5-10H2,1-4H3/t16-,17+,18+,20-,21+,22+/m1/s1",VXIMPSPISRVBPZ-NWUMPJBXSA-N,C22H30O3,342.5,342.2194948,2.6,54.4,717,0,1,3,1,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"19-Nor-17-alpha-pregna-4,6-dien-20-yn-3-one, 17-hydroxy-, acetate",106765-04-2,3065098,"[(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate",CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)CC[C@H]34)C)C#C,"InChI=1S/C22H26O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,5,7,13,17-20H,6,8-12H2,2-3H3/t17-,18+,19+,20-,21-,22-/m0/s1",DQSVONCNGQQILU-ZCPXKWAGSA-N,C22H26O3,338.4,338.1881947,3,43.4,736,0,0,3,3,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
CARBANILIDE,000102-07-8,7595,"1,3-diphenylurea",C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2,"InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)",GWEHVDNNLFDJLR-UHFFFAOYSA-N,C13H12N2O,212.25,212.094963,3,41.1,196,0,2,1,2,16,,"504 °F at 760 mmHg (Decomposes) (NTP, 1992)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"N,N-DIETHYLCARBANILIDE",000085-98-3,6828,"1,3-diethyl-1,3-diphenylurea",CCN(C1=CC=CC=C1)C(=O)N(CC)C2=CC=CC=C2,"InChI=1S/C17H20N2O/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3",PZIMIYVOZBTARW-UHFFFAOYSA-N,C17H20N2O,268.35,268.1575633,3.6,23.6,265,0,0,1,4,20,"302 °F (NTP, 1992)","617 to 626 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
1-(4-FLUOROPHENYL)-3-(4-METHOXYPHENYL)UREA,107676-55-1,292805,1-(4-fluorophenyl)-3-(4-methoxyphenyl)urea,COC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)F,"InChI=1S/C14H13FN2O2/c1-19-13-8-6-12(7-9-13)17-14(18)16-11-4-2-10(15)3-5-11/h2-9H,1H3,(H2,16,17,18)",TYFLHNPOKOIZSJ-UHFFFAOYSA-N,C14H13FN2O2,260.26,260.0961058,2.6,50.4,285,0,2,3,3,19,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbanilide, 3,4,4'-trichloro-",101-20-2,7547,"1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea",C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl,"InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)",ICUTUKXCWQYESQ-UHFFFAOYSA-N,C13H9Cl3N2O,315.6,313.978046,5.3,41.1,308,0,2,1,2,19,,250 °C at 97.8 kPa (733 mm Hg),1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbanilide, N,N'-dimethyl-",611-92-7,11917,"1,3-dimethyl-1,3-diphenylurea",CN(C1=CC=CC=C1)C(=O)N(C)C2=CC=CC=C2,"InChI=1S/C15H16N2O/c1-16(13-9-5-3-6-10-13)15(18)17(2)14-11-7-4-8-12-14/h3-12H,1-2H3",ADCBKYIHQQCFHE-UHFFFAOYSA-N,C15H16N2O,240.3,240.1262631,2.8,23.6,242,0,0,1,2,18,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbanilide, 2,3',4'-trichloro-",13208-22-5,25784,"1-(2-chlorophenyl)-3-(3,4-dichlorophenyl)urea",C1=CC=C(C(=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl,"InChI=1S/C13H9Cl3N2O/c14-9-6-5-8(7-11(9)16)17-13(19)18-12-4-2-1-3-10(12)15/h1-7H,(H2,17,18,19)",WQYIKPIEHGBTGB-UHFFFAOYSA-N,C13H9Cl3N2O,315.6,313.978046,5.3,41.1,316,0,2,1,2,19,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-BIS(4-NITROPHENYL)UREA",000587-90-6,9509,"1,3-bis(4-nitrophenyl)urea",C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C13H10N4O5/c18-13(14-9-1-5-11(6-2-9)16(19)20)15-10-3-7-12(8-4-10)17(21)22/h1-8H,(H2,14,15,18)",JEZZOKXIXNSKQD-UHFFFAOYSA-N,C13H10N4O5,302.24,302.0651194,2.1,133,379,0,2,5,2,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, N-(2-bromophenyl)-N'-(2-hydroxy-4-nitrophenyl)-",182498-32-4,3854666,1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea,C1=CC=C(C(=C1)NC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O)Br,"InChI=1S/C13H10BrN3O4/c14-9-3-1-2-4-10(9)15-13(19)16-11-6-5-8(17(20)21)7-12(11)18/h1-7,18H,(H2,15,16,19)",MQBZVUNNWUIPMK-UHFFFAOYSA-N,C13H10BrN3O4,352.14,350.98547,2.6,107,390,0,3,4,2,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NORHARMANE,000244-63-3,64961,"9H-pyrido[3,4-b]indole",C1=CC=C2C(=C1)C3=C(N2)C=NC=C3,"InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H",AIFRHYZBTHREPW-UHFFFAOYSA-N,C11H8N2,168.19,168.0687483,3.2,28.7,193,0,1,1,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYL B-CARBOLINE-3-CARBOXYLATE,069954-48-9,107704,"methyl 9H-pyrido[3,4-b]indole-3-carboxylate",COC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2,"InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,15H,1H3",UKHFPVCOXBJPIN-UHFFFAOYSA-N,C13H10N2O2,226.23,226.0742276,3.4,55,308,0,1,3,2,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HARMINE,000442-51-3,5280953,"7-methoxy-1-methyl-9H-pyrido[3,4-b]indole",CC1=NC=CC2=C1NC3=C2C=CC(=C3)OC,"InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3",BXNJHAXVSOCGBA-UHFFFAOYSA-N,C13H12N2O,212.25,212.094963,3.6,37.9,258,0,1,2,1,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"9H-Pyrido(3,4-b)indole-3-carboxylic acid, 4-ethyl-6,7-dimethoxy-, methyl ester",082499-00-1,104999,"methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate",CCC1=C2C3=CC(=C(C=C3NC2=CN=C1C(=O)OC)OC)OC,"InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3",GADIKQPUNWAMEB-UHFFFAOYSA-N,C17H18N2O4,314.34,314.1266571,3.2,73.4,433,0,1,5,5,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Harmine, hydrochloride",343-27-1,5359389,"7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;hydrochloride",CC1=NC=CC2=C1NC3=C2C=CC(=C3)OC.Cl,"InChI=1S/C13H12N2O.ClH/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;/h3-7,15H,1-2H3;1H",VNPLYCKZIUTKJM-UHFFFAOYSA-N,C13H13ClN2O,248.71,248.0716407,,37.9,258,0,2,2,1,17,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9H-Pyrido(3,4-b)indole, 6-methoxy-1-methyl-",3589-72-8,5376026,"6-methoxy-1-methyl-9H-pyrido[3,4-b]indole",CC1=NC=CC2=C1NC3=C2C=C(C=C3)OC,"InChI=1S/C13H12N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-7,15H,1-2H3",XYYVPBBISSKKQB-UHFFFAOYSA-N,C13H12N2O,212.25,212.094963,3.6,37.9,258,0,1,2,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9H-Pyrido(3,4-b)indole-3-carboxylic acid",74214-63-4,173262,"9H-pyrido[3,4-b]indole-3-carboxylic acid",C1=CC=C2C(=C1)C3=CC(=NC=C3N2)C(=O)O,"InChI=1S/C12H8N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-6,14H,(H,15,16)",ARLVFKCLBYUINL-UHFFFAOYSA-N,C12H8N2O2,212.2,212.0585775,3,66,295,0,2,3,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HARMAN,000486-84-0,5281404,"1-methyl-9H-pyrido[3,4-b]indole",CC1=NC=CC2=C1NC3=CC=CC=C23,"InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3",PSFDQSOCUJVVGF-UHFFFAOYSA-N,C12H10N2,182.22,182.0843983,3.6,28.7,216,0,1,1,0,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"9H-Pyrido(3,4-b)indole-3-carboxylic acid, ethyl ester",74214-62-3,105078,"ethyl 9H-pyrido[3,4-b]indole-3-carboxylate",CCOC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2,"InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,16H,2H2,1H3",KOVRZNUMIKACTB-UHFFFAOYSA-N,C14H12N2O2,240.26,240.0898776,2.9,55,321,0,1,3,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FENOTEROL HYDROBROMIDE,001944-12-3,5702161,"5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol;hydrobromide",CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O.Br,"InChI=1S/C17H21NO4.BrH/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13;/h2-5,7-9,11,17-22H,6,10H2,1H3;1H",SGZRQMALQBXAIQ-UHFFFAOYSA-N,C17H22BrNO4,384.3,383.07322,,93,310,0,6,5,6,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzyl alcohol, 3,5-dihydroxy-alpha-(((p-hydroxy-alpha-methylphenethyl)amino)m",013392-18-2,3343,"5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol",CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O,"InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3",LSLYOANBFKQKPT-UHFFFAOYSA-N,C17H21NO4,303.35,303.1470582,2,93,310,0,5,5,6,22,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzyl alcohol, p-hydroxy-alpha-(1-((p-hydroxyphenethyl)amino)ethyl)-, hydroch",023239-51-2,3040551,"4-[2-[[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol;hydrochloride",C[C@H]([C@H](C1=CC=C(C=C1)O)O)NCCC2=CC=C(C=C2)O.Cl,"InChI=1S/C17H21NO3.ClH/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13;/h2-9,12,17-21H,10-11H2,1H3;1H/t12-,17-;/m1./s1",IDLSITKDRVDKRV-JSUROZADSA-N,C17H22ClNO3,323.8,323.1288213,,72.7,284,0,5,4,6,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenemethanol, alpha-(((2-(3,4-dimethoxyphenyl)ethyl)amino)methyl)-4-hydroxy",071771-90-9,5311064,"4-[(1R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]phenol",COC1=C(C=C(C=C1)CCNC[C@@H](C2=CC=C(C=C2)O)O)OC,"InChI=1S/C18H23NO4/c1-22-17-8-3-13(11-18(17)23-2)9-10-19-12-16(21)14-4-6-15(20)7-5-14/h3-8,11,16,19-21H,9-10,12H2,1-2H3/t16-/m0/s1",VHSBBVZJABQOSG-INIZCTEOSA-N,C18H23NO4,317.4,317.1627082,1.8,71,320,0,3,5,8,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Diphenethylamine, hydrochloride",6332-28-1,2749885,2-phenyl-N-(2-phenylethyl)ethanamine;hydrochloride,C1=CC=C(C=C1)CCNCCC2=CC=CC=C2.Cl,"InChI=1S/C16H19N.ClH/c1-3-7-15(8-4-1)11-13-17-14-12-16-9-5-2-6-10-16;/h1-10,17H,11-14H2;1H",GBMYHLWTKLNQKD-UHFFFAOYSA-N,C16H20ClN,261.79,261.1284273,,12,158,0,2,1,6,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzeneethanamine, 3,4-dimethoxy-N-(2-phenylethyl)-, hydrochloride",35589-98-1,215355,"N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylethanamine;hydrochloride",COC1=C(C=C(C=C1)CCNCCC2=CC=CC=C2)OC.Cl,"InChI=1S/C18H23NO2.ClH/c1-20-17-9-8-16(14-18(17)21-2)11-13-19-12-10-15-6-4-3-5-7-15;/h3-9,14,19H,10-13H2,1-2H3;1H",VSAFYVNEKALJPH-UHFFFAOYSA-N,C18H24ClNO2,321.8,321.1495567,,30.5,266,0,2,3,8,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Methanesulfonanilide, 5'-(2-((alpha,alpha-dimethylphenethyl)amino)-1-hydroxyethyl)-2'-hydroxy-, monohydrochloride",38241-28-0,37989,N-[2-hydroxy-5-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]phenyl]methanesulfonamide;hydrochloride,CC(C)(CC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)NS(=O)(=O)C)O.Cl,"InChI=1S/C19H26N2O4S.ClH/c1-19(2,12-14-7-5-4-6-8-14)20-13-18(23)15-9-10-17(22)16(11-15)21-26(3,24)25;/h4-11,18,20-23H,12-13H2,1-3H3;1H",LVNUBJDWJFOMKH-UHFFFAOYSA-N,C19H27ClN2O4S,414.9,414.1380062,,107,526,0,5,6,8,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Formamide, N-(2-hydroxy-5-((1R)-1-hydroxy-2-(((1R)-2-(4-methoxyphenyl)-1-methylethyl)amino)ethyl)phenyl)-, rel-",73573-87-2,3410,N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide,CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O,"InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)",BPZSYCZIITTYBL-UHFFFAOYSA-N,C19H24N2O4,344.4,344.1736073,1.8,90.8,388,0,4,5,8,25,,,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,1
"Phenethylamine, N-methyl-N-phenylethyl-",,65608,N-methyl-2-phenyl-N-(2-phenylethyl)ethanamine,CN(CCC1=CC=CC=C1)CCC2=CC=CC=C2,"InChI=1S/C17H21N/c1-18(14-12-16-8-4-2-5-9-16)15-13-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3",XVWQQNARVMHZBP-UHFFFAOYSA-N,C17H21N,239.35,239.1673997,4.2,3.2,180,0,0,1,6,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-AMINO-5-NITROSO-2-THIOURACIL,001672-48-6,2724406,6-amino-5-nitroso-2-sulfanylidene-1H-pyrimidin-4-one,C1(=C(NC(=S)NC1=O)N)N=O,"InChI=1S/C4H4N4O2S/c5-2-1(8-10)3(9)7-4(11)6-2/h(H4,5,6,7,9,11)",UOWCFGBLAMCSFY-UHFFFAOYSA-N,C4H4N4O2S,172.17,172.0054966,-0.7,129,271,0,3,5,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYLTHIOURACIL,000056-04-2,667493,6-methyl-2-sulfanylidene-1H-pyrimidin-4-one,CC1=CC(=O)NC(=S)N1,"InChI=1S/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)",HWGBHCRJGXAGEU-UHFFFAOYSA-N,C5H6N2OS,142.18,142.020084,-0.2,73.2,197,0,2,2,0,9,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
5-METHYL-2-THIOURACIL,000636-26-0,720471,5-methyl-2-sulfanylidene-1H-pyrimidin-4-one,CC1=CNC(=S)NC1=O,"InChI=1S/C5H6N2OS/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)",ZLAQATDNGLKIEV-UHFFFAOYSA-N,C5H6N2OS,142.18,142.020084,0,73.2,197,0,2,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Uracil, 5,6-dimethyl-2-thio-",28456-54-4,2736249,"5,6-dimethyl-2-sulfanylidene-1H-pyrimidin-4-one",CC1=C(NC(=S)NC1=O)C,"InChI=1S/C6H8N2OS/c1-3-4(2)7-6(10)8-5(3)9/h1-2H3,(H2,7,8,9,10)",MEAKRQUSGACTFV-UHFFFAOYSA-N,C6H8N2OS,156.21,156.0357341,0.4,73.2,232,0,2,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Uracil, 5-butyl-6-methyl-2-thio-",29113-41-5,2725680,5-butyl-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one,CCCCC1=C(NC(=S)NC1=O)C,"InChI=1S/C9H14N2OS/c1-3-4-5-7-6(2)10-9(13)11-8(7)12/h3-5H2,1-2H3,(H2,10,11,12,13)",CTHUKFGHEPDDJE-UHFFFAOYSA-N,C9H14N2OS,198.29,198.0826843,1.9,73.2,271,0,2,2,3,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyrimidinethiol, 4-amino-6-hydroxy-, monohydrate",65802-56-4,2723599,6-amino-2-sulfanylidene-1H-pyrimidin-4-one;hydrate,C1=C(NC(=S)NC1=O)N.O,"InChI=1S/C4H5N3OS.H2O/c5-2-1-3(8)7-4(9)6-2;/h1H,(H4,5,6,7,8,9);1H2",BWYGMIYEADAIGW-UHFFFAOYSA-N,C4H7N3O2S,161.19,161.0258977,,100,198,0,4,4,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
PROPYLTHIOURACIL,000051-52-5,657298,6-propyl-2-sulfanylidene-1H-pyrimidin-4-one,CCCC1=CC(=O)NC(=S)N1,"InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)",KNAHARQHSZJURB-UHFFFAOYSA-N,C7H10N2OS,170.23,170.0513841,0.8,73.2,222,0,2,2,2,11,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-OXINDOLE,000059-48-3,321710,"1,3-dihydroindol-2-one",C1C2=CC=CC=C2NC1=O,"InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)",JYGFTBXVXVMTGB-UHFFFAOYSA-N,C8H7NO,133.15,133.0527638,1.2,29.1,155,0,1,1,0,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-METHYLOXINDOLE,001504-06-9,150923,"3-methyl-1,3-dihydroindol-2-one",CC1C2=CC=CC=C2NC1=O,"InChI=1S/C9H9NO/c1-6-7-4-2-3-5-8(7)10-9(6)11/h2-6H,1H3,(H,10,11)",BBZCPUCZKLTAJQ-UHFFFAOYSA-N,C9H9NO,147.17,147.0684139,1.3,29.1,178,0,1,1,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-METHYL-2-INDOLINONE,000061-70-1,6096,1-methyl-3H-indol-2-one,CN1C(=O)CC2=CC=CC=C21,"InChI=1S/C9H9NO/c1-10-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3",RSQUAQMIGSMNNE-UHFFFAOYSA-N,C9H9NO,147.17,147.0684139,1,20.3,178,0,0,1,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-Indol-2-one, 1,3-dihydro-3-hydroxy-3-(2-oxopropyl)-",33417-17-3,36460,3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one,CC(=O)CC1(C2=CC=CC=C2NC1=O)O,"InChI=1S/C11H11NO3/c1-7(13)6-11(15)8-4-2-3-5-9(8)12-10(11)14/h2-5,15H,6H2,1H3,(H,12,14)",CBMTTXBZZZABGG-UHFFFAOYSA-N,C11H11NO3,205.21,205.0738932,0.2,66.4,302,0,2,3,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo-",54744-66-0,98365,"2-(2-oxo-1,3-dihydroindol-3-yl)acetonitrile",C1=CC=C2C(=C1)C(C(=O)N2)CC#N,"InChI=1S/C10H8N2O/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5H2,(H,12,13)",HGYKSFCCBATMSI-UHFFFAOYSA-N,C10H8N2O,172.18,172.0636629,0.5,52.9,265,0,1,2,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2H-Indol-2-one, 4-(2-(dipropylamino)ethyl)-1,3-dihydro-",91374-21-9,5095,"4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one",CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1,"InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)",UHSKFQJFRQCDBE-UHFFFAOYSA-N,C16H24N2O,260.37,260.1888634,2.7,32.3,286,0,1,2,7,19,,410.5±45.0 °C at 760 mmHg,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-Indol-2-one, 1,3-dihydro-4-(2-(dipropylamino)ethyl)-, monohydrochloride",091374-20-8,68727,"4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one;hydrochloride",CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1.Cl,"InChI=1S/C16H24N2O.ClH/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15;/h5-7H,3-4,8-12H2,1-2H3,(H,17,19);1H",XDXHAEQXIBQUEZ-UHFFFAOYSA-N,C16H25ClN2O,296.83,296.1655411,,32.3,286,0,2,2,7,20,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-Indol-2-one, 1,3-dihydro-3-hydroxy-",61-71-2,6097,"3-hydroxy-1,3-dihydroindol-2-one",C1=CC=C2C(=C1)C(C(=O)N2)O,"InChI=1S/C8H7NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4,7,10H,(H,9,11)",SGZFJWQQBHYNNF-UHFFFAOYSA-N,C8H7NO2,149.15,149.0476785,0.2,49.3,181,0,2,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylid",005591-45-7,941651,"(9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide",CN1CCN(CC1)CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C,"InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8-",GFBKORZTTCHDGY-UWVJOHFNSA-N,C23H29N3O2S2,443.6,443.1701195,3.8,77.5,710,0,0,6,5,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Piperazineethanol, 4-(3-(2-chlorothioxanthen-9-ylidene)propyl)-, dihydrochloride",633-59-0,12453,2-[4-[3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol;dihydrochloride,C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.Cl.Cl,"InChI=1S/C22H25ClN2OS.2ClH/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26;;/h1-2,4-8,16,26H,3,9-15H2;2*1H",LPWNZMIBFHMYMX-UHFFFAOYSA-N,C22H27Cl3N2OS,473.9,472.090968,,52,509,0,3,4,5,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Thioxanthene, 9-(3-(4-(2-hydroxyethyl)piperazinyl)propylidene)-2-trifluoromethyl-,dihydrochloride",2413-38-9,5282483,2-[4-[(3Z)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol;dihydrochloride,C1CN(CCN1CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO.Cl.Cl,"InChI=1S/C23H25F3N2OS.2ClH/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29;;/h1-2,4-8,16,29H,3,9-15H2;2*1H/b18-5-;;",IOVDQEIIMOZNNA-MHKBYHAFSA-N,C23H27Cl2F3N2OS,507.4,506.1173245,,52,591,0,3,7,5,32,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Decanoic acid, 2-(4-(3-(2-trifluoromethyl-9H-thioxanthen-9-ylidene)propyl)-1-piperazinyl)ethyl ester",30909-51-4,6434100,2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethyl decanoate,CCCCCCCCCC(=O)OCCN1CCN(CC1)CC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F,"InChI=1S/C33H43F3N2O2S/c1-2-3-4-5-6-7-8-15-32(39)40-24-23-38-21-19-37(20-22-38)18-11-13-27-28-12-9-10-14-30(28)41-31-17-16-26(25-29(27)31)33(34,35)36/h9-10,12-14,16-17,25H,2-8,11,15,18-24H2,1H3/b27-13+",UIKWDDSLMBHIFT-UVHMKAGCSA-N,C33H43F3N2O2S,588.8,588.2997343,9.2,58.1,815,0,0,8,15,41,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1-Piperazineethanol, 4-((3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)propyl)-",53772-83-1,5311507,2-[4-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol,C1CN(CCN1CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO,"InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/b18-5-",WFPIAZLQTJBIFN-DVZOWYKESA-N,C22H25ClN2OS,401,400.1376123,4.3,52,509,0,1,4,5,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Piperazineethanol, 4-(3-(2-chloro-9H-thioxanthen-9-ylidene)propyl)-, dihydrochloride, (E)-",58045-22-0,6446379,2-[4-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol;dihydrochloride,C1CN(CCN1CC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.Cl.Cl,"InChI=1S/C22H25ClN2OS.2ClH/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26;;/h1-2,4-8,16,26H,3,9-15H2;2*1H/b18-5+;;",LPWNZMIBFHMYMX-MONHGIHASA-N,C22H27Cl3N2OS,473.9,472.090968,,52,509,0,3,4,5,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"1-Piperazineethanol, 4-(3-(2-chloro-9H-thioxanthen-9-ylidene)propyl)-, dihydrochloride, (Z)-",58045-23-1,6433208,2-[4-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol;dihydrochloride,C1CN(CCN1CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.Cl.Cl,"InChI=1S/C22H25ClN2OS.2ClH/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26;;/h1-2,4-8,16,26H,3,9-15H2;2*1H/b18-5-;;",LPWNZMIBFHMYMX-MHKBYHAFSA-N,C22H27Cl3N2OS,473.9,472.090968,,52,509,0,3,4,5,29,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Decanoic acid, 2-(4-(3-(2-chloro-9H-thioxanthen-9-ylidene)propyl)-1-piperazinyl)ethyl ester, (Z)-",64053-00-5,6450333,2-[4-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethyl decanoate,CCCCCCCCCC(=O)OCCN1CCN(CC1)CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)Cl,"InChI=1S/C32H43ClN2O2S/c1-2-3-4-5-6-7-8-15-32(36)37-24-23-35-21-19-34(20-22-35)18-11-13-27-28-12-9-10-14-30(28)38-31-17-16-26(33)25-29(27)31/h9-10,12-14,16-17,25H,2-8,11,15,18-24H2,1H3/b27-13-",QRUAPADZILXULG-WKIKZPBSSA-N,C32H43ClN2O2S,555.2,554.2733775,9,58.1,726,0,0,5,15,38,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DISPERSE FAST YELLOW 4K,006300-37-4,22736,2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenol,CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)N=NC3=CC=CC=C3)O,"InChI=1S/C19H16N4O/c1-14-13-18(11-12-19(14)24)23-22-17-9-7-16(8-10-17)21-20-15-5-3-2-4-6-15/h2-13,24H,1H3",VGKYEIFFSOPYEW-UHFFFAOYSA-N,C19H16N4O,316.4,316.1324112,5.5,69.7,425,0,1,5,4,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 4-[[4-(PHENYLAZO)PHENYL]AZO]-",006250-23-3,22623,4-[(4-phenyldiazenylphenyl)diazenyl]phenol,C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)O,"InChI=1S/C18H14N4O/c23-18-12-10-17(11-13-18)22-21-16-8-6-15(7-9-16)20-19-14-4-2-1-3-5-14/h1-13,23H",RTZYVAQWQXPIAC-UHFFFAOYSA-N,C18H14N4O,302.3,302.1167611,5.5,69.7,390,0,1,5,4,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 3-[[2-(ACETYLAMINO)-4-[[4-(2-HYDROXYBUTOXY)PHENYL]AZO]PH",147703-65-9,44144885,sodium 3-[[2-acetamido-4-[[4-(2-hydroxybutoxy)phenyl]diazenyl]phenyl]diazenyl]benzenesulfonate,CCC(COC1=CC=C(C=C1)N=NC2=CC(=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-])NC(=O)C)O.[Na+],"InChI=1S/C24H25N5O6S.Na/c1-3-20(31)15-35-21-10-7-17(8-11-21)26-27-19-9-12-23(24(14-19)25-16(2)30)29-28-18-5-4-6-22(13-18)36(32,33)34;/h4-14,20,31H,3,15H2,1-2H3,(H,25,30)(H,32,33,34);/q;+1/p-1",QNOUWAXXPXIZJB-UHFFFAOYSA-M,C24H24N5NaO6S,533.5,533.134499,,174,862,0,2,10,10,37,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"ACETAMIDE, N-[5-[[2-(ACETYLOXY)ETHYL](2-CYANOETHYL)AMINO]-2-[[4-(PHENYLAZO)PHE",039230-20-1,3084735,2-[3-acetamido-N-(2-cyanoethyl)-4-[(4-phenyldiazenylphenyl)diazenyl]anilino]ethyl acetate,CC(=O)NC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=CC=C(C=C2)N=NC3=CC=CC=C3,"InChI=1S/C27H27N7O3/c1-20(35)29-27-19-25(34(16-6-15-28)17-18-37-21(2)36)13-14-26(27)33-32-24-11-9-23(10-12-24)31-30-22-7-4-3-5-8-22/h3-5,7-14,19H,6,16-18H2,1-2H3,(H,29,35)",KZGOZVGZLGDUKQ-UHFFFAOYSA-N,C27H27N7O3,497.5,497.2175378,4.4,132,825,0,1,9,12,37,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETAMIDE, N-[4-[[4-[(4-HYDROXYPHENYL)AZO]-2-METHYLPHENYL]AZO]PHENYL]-",056395-29-0,91834,N-[4-[[4-[(4-hydroxyphenyl)diazenyl]-2-methylphenyl]diazenyl]phenyl]acetamide,CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)O)N=NC3=CC=C(C=C3)NC(=O)C,"InChI=1S/C21H19N5O2/c1-14-13-19(25-23-18-7-10-20(28)11-8-18)9-12-21(14)26-24-17-5-3-16(4-6-17)22-15(2)27/h3-13,28H,1-2H3,(H,22,27)",PXZNMDUMLOIFTI-UHFFFAOYSA-N,C21H19N5O2,373.4,373.1538749,4.7,98.8,551,0,2,6,5,28,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 4-[[2-METHOXY-4-[(4-NITROPHENYL)AZO]PHENYL]AZO]-",019800-42-1,88254,4-[[2-methoxy-4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenol,COC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-])N=NC3=CC=C(C=C3)O,"InChI=1S/C19H15N5O4/c1-28-19-12-15(22-20-13-2-7-16(8-3-13)24(26)27)6-11-18(19)23-21-14-4-9-17(25)10-5-14/h2-12,25H,1H3",PTIVACHGVHIMMK-UHFFFAOYSA-N,C19H15N5O4,377.4,377.112404,4.9,125,551,0,1,8,5,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 3-[[3-METHOXY-4-[(4-METHOXYPHENYL)AZO]PHENYL]AZO]-, SODI",063405-85-6,23676310,sodium 3-[[3-methoxy-4-[(4-methoxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonate,COC1=CC=C(C=C1)N=NC2=C(C=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-])OC.[Na+],"InChI=1S/C20H18N4O5S.Na/c1-28-17-9-6-14(7-10-17)21-24-19-11-8-16(13-20(19)29-2)23-22-15-4-3-5-18(12-15)30(25,26)27;/h3-13H,1-2H3,(H,25,26,27);/q;+1/p-1",JGUAUYIJLLJIQS-UHFFFAOYSA-M,C20H17N4NaO5S,448.4,448.0817351,,133,694,0,0,9,7,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 4-CHLORO-3-[[4-[(4-ETHOXYPHENYL)AZO]PHENYL]AZO]-, SODIUM",068959-01-3,23668781,sodium 4-chloro-3-[[4-[(4-ethoxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonate,CCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=CC(=C3)S(=O)(=O)[O-])Cl.[Na+],"InChI=1S/C20H17ClN4O4S.Na/c1-2-29-17-9-7-16(8-10-17)23-22-14-3-5-15(6-4-14)24-25-20-13-18(30(26,27)28)11-12-19(20)21;/h3-13H,2H2,1H3,(H,26,27,28);/q;+1/p-1",KCZQZVXCJSWDIK-UHFFFAOYSA-M,C20H16ClN4NaO4S,466.9,466.0478482,,124,690,0,0,8,7,31,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"QUINOLINIUM, 4-METHYL-1-PROPYL-, IODIDE",032863-55-1,118344,4-methyl-1-propylquinolin-1-ium iodide,CCC[N+]1=CC=C(C2=CC=CC=C21)C.[I-],"InChI=1S/C13H16N.HI/c1-3-9-14-10-8-11(2)12-6-4-5-7-13(12)14;/h4-8,10H,3,9H2,1-2H3;1H/q+1;/p-1",ZMIVZHDLXLEFSE-UHFFFAOYSA-M,C13H16IN,313.18,313.03275,,3.9,178,0,0,1,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-ETHYLQUINOLINIUM IODIDE,000634-35-5,69446,1-ethylquinolin-1-ium iodide,CC[N+]1=CC=CC2=CC=CC=C21.[I-],"InChI=1S/C11H12N.HI/c1-2-12-9-5-7-10-6-3-4-8-11(10)12;/h3-9H,2H2,1H3;1H/q+1;/p-1",PMYUGMDDIBOXQM-UHFFFAOYSA-M,C11H12IN,285.12,285.00145,,3.9,144,0,0,1,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
1-ETHYLQUINALDINIUM IODIDE,000606-55-3,69076,1-ethyl-2-methylquinolin-1-ium iodide,CC[N+]1=C(C=CC2=CC=CC=C21)C.[I-],"InChI=1S/C12H14N.HI/c1-3-13-10(2)8-9-11-6-4-5-7-12(11)13;/h4-9H,3H2,1-2H3;1H/q+1;/p-1",OEVSHJVOKFWBJY-UHFFFAOYSA-M,C12H14IN,299.15,299.0171,,3.9,167,0,0,1,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-METHOXYQUINOLINIUM-1-ACETIC ACID ETHYL ESTER BROMIDE,162558-52-3,2762651,ethyl 2-(6-methoxyquinolin-1-ium-1-yl)acetate bromide,CCOC(=O)C[N+]1=CC=CC2=C1C=CC(=C2)OC.[Br-],"InChI=1S/C14H16NO3.BrH/c1-3-18-14(16)10-15-8-4-5-11-9-12(17-2)6-7-13(11)15;/h4-9H,3,10H2,1-2H3;1H/q+1;/p-1",DSLLHVISNOIYHR-UHFFFAOYSA-M,C14H16BrNO3,326.19,325.03136,,39.4,282,0,0,4,5,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-NITROQUINOLINE-N-OXIDE,000056-57-5,5955,4-nitro-1-oxidoquinolin-1-ium,C1=CC=C2C(=C1)C(=CC=[N+]2[O-])[N+](=O)[O-],InChI=1S/C9H6N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H,YHQDZJICGQWFHK-UHFFFAOYSA-N,C9H6N2O3,190.16,190.0378421,1.1,71.3,229,0,0,3,0,14,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Quinoline, 1-oxide",1613-37-2,15366,1-oxidoquinolin-1-ium,C1=CC=C2C(=C1)C=CC=[N+]2[O-],InChI=1S/C9H7NO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,GIIWGCBLYNDKBO-UHFFFAOYSA-N,C9H7NO,145.16,145.0527638,0.4,25.5,138,0,0,1,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"QUINOLINIUM, 1-ETHYL-4-METHYL-, IODIDE",000605-59-4,69062,1-ethyl-4-methylquinolin-1-ium iodide,CC[N+]1=CC=C(C2=CC=CC=C21)C.[I-],"InChI=1S/C12H14N.HI/c1-3-13-9-8-10(2)11-6-4-5-7-12(11)13;/h4-9H,3H2,1-2H3;1H/q+1;/p-1",VQDKCFLPUPEBJC-UHFFFAOYSA-M,C12H14IN,299.15,299.0171,,3.9,167,0,0,1,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANOIC ACID, (3-OXO-1(3H)-ISOBENZOFURANYLIDENE)DI-4,1-PHENYLENE ESTER",062625-15-4,98158,[4-[1-(4-butanoyloxyphenyl)-3-oxo-2-benzofuran-1-yl]phenyl] butanoate,CCCC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)OC(=O)CCC,"InChI=1S/C28H26O6/c1-3-7-25(29)32-21-15-11-19(12-16-21)28(24-10-6-5-9-23(24)27(31)34-28)20-13-17-22(18-14-20)33-26(30)8-4-2/h5-6,9-18H,3-4,7-8H2,1-2H3",JKODXQNSKLMPQT-UHFFFAOYSA-N,C28H26O6,458.5,458.1729385,5.7,78.9,676,0,0,6,10,34,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CRYSTAL VIOLET LACTONE,001552-42-7,73773,"6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one",CN(C)C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)N(C)C)C(=O)O2)C4=CC=C(C=C4)N(C)C,"InChI=1S/C26H29N3O2/c1-27(2)20-11-7-18(8-12-20)26(19-9-13-21(14-10-19)28(3)4)24-16-15-22(29(5)6)17-23(24)25(30)31-26/h7-17H,1-6H3",IPAJDLMMTVZVPP-UHFFFAOYSA-N,C26H29N3O2,415.5,415.2259772,5.3,36,590,0,0,5,5,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1(3H)-ISOBENZOFURANONE, 3,3-BIS(3,5-DIBROMO-4-HYDROXYPHENYL)-",000076-62-0,65569,"3,3-bis(3,5-dibromo-4-hydroxyphenyl)-2-benzofuran-1-one",C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C(=C3)Br)O)Br)C4=CC(=C(C(=C4)Br)O)Br,"InChI=1S/C20H10Br4O4/c21-13-5-9(6-14(22)17(13)25)20(10-7-15(23)18(26)16(24)8-10)12-4-2-1-3-11(12)19(27)28-20/h1-8,25-26H",OBRGVMYQZVQHGO-UHFFFAOYSA-N,C20H10Br4O4,633.9,633.72716,6.4,66.8,551,0,2,4,2,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1(3H)-ISOBENZOFURANONE, 3-[4-HYDROXY-2-METHYL-5-(1-METHYLETHYL)PHENYL]-3-[2-ME",028749-63-5,23687223,sodium [4-[1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-oxo-2-benzofuran-1-yl]-5-methyl-2-propan-2-ylphenyl] hydrogen phosphate,CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)OP(=O)(O)[O-])C(C)C)C(C)C)O.[Na+],"InChI=1S/C28H31O7P.Na/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(30)34-28)24-14-21(16(3)4)26(12-18(24)6)35-36(31,32)33;/h7-16,29H,1-6H3,(H2,31,32,33);/q;+1/p-1",LQKRLVLDBOCZSK-UHFFFAOYSA-M,C28H30NaO7P,532.5,532.1626846,,116,852,0,2,7,6,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SULFOBROMOPHTHALEIN SODIUM,000071-67-0,6282,"disodium;2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfonatophenyl)-3-oxo-2-benzofuran-1-yl]benzenesulfonate",C1=CC(=C(C=C1C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)C(=O)O2)C4=CC(=C(C=C4)O)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+],"InChI=1S/C20H10Br4O10S2.2Na/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33;;/h1-6,25-26H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",GHAFORRTMVIXHS-UHFFFAOYSA-L,C20H8Br4Na2O10S2,838,837.60468,,198,994,0,2,10,2,38,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
PHENOLPHTHALEIN DIPHOSPHATE TETRASODIUM,068807-90-9,3085390,tetrasodium;[4-[3-oxo-1-(4-phosphonatooxyphenyl)-2-benzofuran-1-yl]phenyl] phosphate;dihydrate,C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)OP(=O)([O-])[O-])C4=CC=C(C=C4)OP(=O)([O-])[O-].O.O.[Na+].[Na+].[Na+].[Na+],"InChI=1S/C20H16O10P2.4Na.2H2O/c21-19-17-3-1-2-4-18(17)20(28-19,13-5-9-15(10-6-13)29-31(22,23)24)14-7-11-16(12-8-14)30-32(25,26)27;;;;;;/h1-12H,(H2,22,23,24)(H2,25,26,27);;;;;2*1H2/q;4*+1;;/p-4",QYFYAAPDTZOYPC-UHFFFAOYSA-J,C20H16Na4O12P2,602.2,601.9707771,,173,708,0,2,12,4,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
THYMOLPHTHALEIN,000125-20-2,31316,"3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one",CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O,"InChI=1S/C28H30O4/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(31)32-28)24-14-21(16(3)4)26(30)12-18(24)6/h7-16,29-30H,1-6H3",LDKDGDIWEUUXSH-UHFFFAOYSA-N,C28H30O4,430.5,430.2144094,6.8,66.8,636,0,2,4,4,32,,,0,0,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0
PHENOLPHTHALEIN,000077-09-8,4764,"3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one",C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O,"InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H",KJFMBFZCATUALV-UHFFFAOYSA-N,C20H14O4,318.3,318.0892089,3.6,66.8,438,0,2,4,2,24,,,0,0,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0
"CHROMATE(1-), BIS[3-[4-[[5-(1,1-DIMETHYLPROPYL)-2-HYDROXY-3-NITROPHENYL]AZO]-4",071839-77-5,154734697,sodium;chromium(3+);bis(3-methyl-4-[[5-(2-methylbutan-2-yl)-3-nitro-2-oxidophenyl]diazenyl]-1-(3-sulfamoylphenyl)pyrazol-5-olate),CCC(C)(C)C1=CC(=C(C(=C1)[N+](=O)[O-])[O-])N=NC2=C(N(N=C2C)C3=CC(=CC=C3)S(=O)(=O)N)[O-].CCC(C)(C)C1=CC(=C(C(=C1)[N+](=O)[O-])[O-])N=NC2=C(N(N=C2C)C3=CC(=CC=C3)S(=O)(=O)N)[O-].[Na+].[Cr+3],"InChI=1S/2C21H24N6O6S.Cr.Na/c2*1-5-21(3,4)13-9-16(19(28)17(10-13)27(30)31)23-24-18-12(2)25-26(20(18)29)14-7-6-8-15(11-14)34(22,32)33;;/h2*6-11,28-29H,5H2,1-4H3,(H2,22,32,33);;/q;;+3;+1/p-4",ZIALLXAAIWICLM-UHFFFAOYSA-J,C42H44CrN12NaO12S2,1048,1047.194581,,406,859,0,2,20,12,70,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"CHROMATE(1-), BIS[3-[(4,5-DIHYDRO-3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4-YL)AZO]",068039-65-6,109486,lithium;chromium(3+);bis(3-methyl-4-[(2-oxido-5-sulfamoylphenyl)diazenyl]-1-phenylpyrazol-5-olate),[Li+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)N)[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)N)[O-])[O-])C3=CC=CC=C3.[Cr+3],"InChI=1S/2C16H15N5O4S.Cr.Li/c2*1-10-15(16(23)21(20-10)11-5-3-2-4-6-11)19-18-13-9-12(26(17,24)25)7-8-14(13)22;;/h2*2-9,22-23H,1H3,(H2,17,24,25);;/q;;+3;+1/p-4",STMSDDRNQUWATN-UHFFFAOYSA-J,C32H26CrLiN10O8S2,801.7,801.094158,,314,604,0,2,16,8,54,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"CHROMATE(1-), BIS[3-[[1-[3-(AMINOSULFONYL)PHENYL]-4,5-DIHYDRO-3-METHYL-5-OXO-1",006656-00-4,165517,chromium(3+);hydron;bis(3-methyl-4-[(2-oxido-5-sulfamoylphenyl)diazenyl]-1-(4-sulfamoylphenyl)pyrazol-5-olate),[H+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)N)[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)N.CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)N)[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)N.[Cr+3],"InChI=1S/2C16H16N6O6S2.Cr/c2*1-9-15(20-19-13-8-12(30(18,27)28)6-7-14(13)23)16(24)22(21-9)10-2-4-11(5-3-10)29(17,25)26;/h2*2-8,23-24H,1H3,(H2,17,25,26)(H2,18,27,28);/q;;+3/p-3",WZVIAQMHRQZCPR-UHFFFAOYSA-K,C32H29CrN12O12S4,953.9,953.031579,,451,833,0,5,22,10,61,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"COBALTATE(1-), BIS[3-[(4,5-DIHYDRO-3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4-YL)AZO",034664-47-6,161832,sodium;cobalt(3+);bis(3-methyl-4-[(2-oxido-5-sulfamoylphenyl)diazenyl]-1-phenylpyrazol-5-olate),CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)N)[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)N)[O-])[O-])C3=CC=CC=C3.[Na+].[Co+3],"InChI=1S/2C16H15N5O4S.Co.Na/c2*1-10-15(16(23)21(20-10)11-5-3-2-4-6-11)19-18-13-9-12(26(17,24)25)7-8-14(13)22;;/h2*2-9,22-23H,1H3,(H2,17,24,25);;/q;;+3;+1/p-4",IDVOFRCMHOGTPH-UHFFFAOYSA-J,C32H26CoN10NaO8S2,824.7,824.060613,,314,604,0,2,16,8,54,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"SODIUM BIS[2-CHLORO-4-[(4,5-DIHYDRO-3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4-YL)AZO]-5-HYDROXYBENZENESULPHONAMIDATO(2-)]CHROMATE(1-)",067109-27-7,163134,sodium;bis(4-[(5-chloro-2-oxido-4-sulfamoylphenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-olate);chromium(3+),CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])S(=O)(=O)N)Cl)[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])S(=O)(=O)N)Cl)[O-])C3=CC=CC=C3.[Na+].[Cr+3],"InChI=1S/2C16H14ClN5O4S.Cr.Na/c2*1-9-15(16(24)22(21-9)10-5-3-2-4-6-10)20-19-12-7-11(17)14(8-13(12)23)27(18,25)26;;/h2*2-8,23-24H,1H3,(H2,18,25,26);;/q;;+3;+1/p-4",MTEWSKPSJGGDQE-UHFFFAOYSA-J,C32H24Cl2CrN10NaO8S2,886.6,884.989979,,314,639,0,2,16,8,56,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"COBALTATE(1-), BIS[3-[[1-(3-CHLOROPHENYL)-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZO",071701-14-9,154734414,sodium;bis(1-(3-chlorophenyl)-3-methyl-4-[[5-(methylsulfamoyl)-2-oxidophenyl]diazenyl]pyrazol-5-olate);cobalt(3+),CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)NC)[O-])[O-])C3=CC(=CC=C3)Cl.CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)NC)[O-])[O-])C3=CC(=CC=C3)Cl.[Na+].[Co+3],"InChI=1S/2C17H16ClN5O4S.Co.Na/c2*1-10-16(17(25)23(22-10)12-5-3-4-11(18)8-12)21-20-14-9-13(6-7-15(14)24)28(26,27)19-2;;/h2*3-9,19,24-25H,1-2H3;;/q;;+3;+1/p-4",VJBJJFZUUWVEII-UHFFFAOYSA-J,C34H28Cl2CoN10NaO8S2,921.6,920.013968,,286,660,0,2,16,10,58,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CHROMATE(1-), BIS[4-[(4,5-DIHYDRO-3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4-YL)AZO]",075214-69-6,136160693,"sodium;chromium;bis(3-hydroxy-4-[(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-N,N-dimethylbenzenesulfonamide)",CC1=NN(C(=C1N=NC2=C(C=C(C=C2)S(=O)(=O)N(C)C)O)O)C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=C(C=C(C=C2)S(=O)(=O)N(C)C)O)O)C3=CC=CC=C3.[Na+].[Cr],"InChI=1S/2C18H19N5O4S.Cr.Na/c2*1-12-17(18(25)23(21-12)13-7-5-4-6-8-13)20-19-15-10-9-14(11-16(15)24)28(26,27)22(2)3;;/h2*4-11,24-25H,1-3H3;;/q;;;+1",HSHHYPGDVDYRPV-UHFFFAOYSA-N,C36H38CrN10NaO8S2+,877.9,877.161825,,258,1410,1,4,16,6,58,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CHROMATE(1-), BIS[2-(3-CHLOROPHENYL)-2,4-DIHYDRO-4-[[2-HYDROXY-5-(METHYLSULFON",051147-75-2,162630,sodium;bis(1-(3-chlorophenyl)-3-methyl-4-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]pyrazol-5-olate);chromium(3+),CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)C)[O-])[O-])C3=CC(=CC=C3)Cl.CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)C)[O-])[O-])C3=CC(=CC=C3)Cl.[Na+].[Cr+3],"InChI=1S/2C17H15ClN4O4S.Cr.Na/c2*1-10-16(17(24)22(21-10)12-5-3-4-11(18)8-12)20-19-14-9-13(27(2,25)26)6-7-15(14)23;;/h2*3-9,23-24H,1-2H3;;/q;;+3;+1/p-4",UWWIIBLEUDACLR-UHFFFAOYSA-J,C34H26Cl2CrN8NaO8S2,884.6,882.999482,,262,643,0,0,14,8,56,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CHROMATE(1-), BIS[2,4-DIHYDRO-4-[[2-HYDROXY-5-(METHYLSULFONYL)-4-NITROPHENYL]A",071839-91-3,154734703,sodium;chromium(3+);bis(3-methyl-4-[(5-methylsulfonyl-4-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate),CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])[N+](=O)[O-])S(=O)(=O)C)[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=CC(=C(C=C2[O-])[N+](=O)[O-])S(=O)(=O)C)[O-])C3=CC=CC=C3.[Na+].[Cr+3],"InChI=1S/2C17H15N5O6S.Cr.Na/c2*1-10-16(17(24)21(20-10)11-6-4-3-5-7-11)19-18-12-8-15(29(2,27)28)13(22(25)26)9-14(12)23;;/h2*3-9,23-24H,1-2H3;;/q;;+3;+1/p-4",FGZWORSTDSPKJX-UHFFFAOYSA-J,C34H26CrN10NaO12S2,905.7,905.047583,,354,717,0,0,18,8,60,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
AMMONIUM BORON OXIDE ((NH4)B5O8),012007-89-5,131634794,"azanium (7-oxido-2,4,6,8,9-pentaoxa-1,3,5,7-tetraborabicyclo[3.3.1]nonan-3-yl)oxy-oxoborane",B(=O)OB1OB2OB(OB(O2)O1)[O-].[NH4+],InChI=1S/B5O8.H3N/c6-1-8-3-11-4-9-2(7)10-5(12-3)13-4;/h;1H3/q-1;/p+1,OEAWHXRHGIIPBU-UHFFFAOYSA-O,B5H4NO8,200.1,200.0438486,,96.5,181,0,1,8,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
AMMONIUM BORATE,012007-58-8,71529779,"diazanium;3,7-dioxido-2,4,6,8,9-pentaoxa-1,3,5,7-tetraborabicyclo[3.3.1]nonane",B1(OB2OB(OB(O1)O2)[O-])[O-].[NH4+].[NH4+],InChI=1S/B4O7.2H3N/c5-1-7-3-9-2(6)10-4(8-1)11-3;;/h;2*1H3/q-2;;/p+2,AUTNMGCKBXKHNV-UHFFFAOYSA-P,B4H8N2O7,191.3,192.0703713,,94.3,121,0,2,7,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BORON SODIUM OXIDE (B5NAO8),012007-92-0,131634859,"sodium (7-oxido-2,4,6,8,9-pentaoxa-1,3,5,7-tetraborabicyclo[3.3.1]nonan-3-yl)oxy-oxoborane",B(=O)OB1OB2OB(OB(O2)O1)[O-].[Na+],InChI=1S/B5O8.Na/c6-1-8-3-11-4-9-2(7)10-5(12-3)13-4;/q-1;+1,OLBJLOUJSZVXOT-UHFFFAOYSA-N,B5NaO8,205.1,204.9992438,,95.5,186,0,0,8,1,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"SODIUM TETRABORATE, DECAHYDRATE",001303-96-4,16211214,"disodium;3,7-dioxido-2,4,6,8,9-pentaoxa-1,3,5,7-tetraborabicyclo[3.3.1]nonane;decahydrate",B1(OB2OB(OB(O1)O2)[O-])[O-].O.O.O.O.O.O.O.O.O.O.[Na+].[Na+],InChI=1S/B4O7.2Na.10H2O/c5-1-7-3-9-2(6)10-4(8-1)11-3;;;;;;;;;;;;/h;;;10*1H2/q-2;2*+1;;;;;;;;;;,CDMADVZSLOHIFP-UHFFFAOYSA-N,B4H20Na2O17,381.4,382.0868084,,102,121,0,10,17,0,23,,608 °F,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
SODIUM TETRABORATE,001330-43-4,10219853,"disodium;3,7-dioxido-2,4,6,8,9-pentaoxa-1,3,5,7-tetraborabicyclo[3.3.1]nonane",B1(OB2OB(OB(O1)O2)[O-])[O-].[Na+].[Na+],InChI=1S/B4O7.2Na/c5-1-7-3-9-2(6)10-4(8-1)11-3;;/q-2;2*+1,UQGFMSUEHSUPRD-UHFFFAOYSA-N,B4Na2O7,201.2,201.9811616,,92.3,121,0,0,7,0,13,,"1,575 °C (decomposes)",0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Boric acid, sodium salt, pentahydrate",12046-75-2,71306767,"disodium;3,7-dioxido-2,4,6,8,9-pentaoxa-1,3,5,7-tetraborabicyclo[3.3.1]nonane;pentahydrate",B1(OB2OB(OB(O1)O2)[O-])[O-].O.O.O.O.O.[Na+].[Na+],InChI=1S/B4O7.2Na.5H2O/c5-1-7-3-9-2(6)10-4(8-1)11-3;;;;;;;/h;;;5*1H2/q-2;2*+1;;;;;,RSCACTKJFSTWPV-UHFFFAOYSA-N,B4H10Na2O12,291.3,292.033985,,97.3,121,0,5,12,0,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
BENZIL,000134-81-6,8651,"1,2-diphenylethane-1,2-dione",C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2,InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H,WURBFLDFSFBTLW-UHFFFAOYSA-N,C14H10O2,210.23,210.0680796,3.4,34.1,230,0,0,2,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BIS(4-CHLOROPHENYL)-ETHANEDIONE,003457-46-3,18946,"1,2-bis(4-chlorophenyl)ethane-1,2-dione",C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)Cl)Cl,InChI=1S/C14H8Cl2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H,XMAWUPHYEABFDR-UHFFFAOYSA-N,C14H8Cl2O2,279.1,277.9901349,4.6,34.1,282,0,0,2,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BIS(4-FLUOROPHENYL)ETHANEDIONE,000579-39-5,123072,"1,2-bis(4-fluorophenyl)ethane-1,2-dione",C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)F)F,InChI=1S/C14H8F2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H,BRKULQOUSCHDGS-UHFFFAOYSA-N,C14H8F2O2,246.21,246.0492358,3.6,34.1,282,0,0,4,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANEDIONE, BIS(4-BROMOPHENYL)-",035578-47-3,96430,"1,2-bis(4-bromophenyl)ethane-1,2-dione",C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)Br)Br,InChI=1S/C14H8Br2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H,NYCBYBDDECLFPE-UHFFFAOYSA-N,C14H8Br2O2,368.02,367.88706,4.8,34.1,282,0,0,2,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANEDIONE, BIS(3-METHOXYPHENYL)-",040101-17-5,123493,"1,2-bis(3-methoxyphenyl)ethane-1,2-dione",COC1=CC=CC(=C1)C(=O)C(=O)C2=CC(=CC=C2)OC,"InChI=1S/C16H14O4/c1-19-13-7-3-5-11(9-13)15(17)16(18)12-6-4-8-14(10-12)20-2/h3-10H,1-2H3",PJGXOGKIVAJFTE-UHFFFAOYSA-N,C16H14O4,270.28,270.0892089,3.3,52.6,318,0,0,4,5,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANEDIONE, (2-CHLOROPHENYL)(3,4-DIMETHOXYPHENYL)-",056159-70-7,92036,"1-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethane-1,2-dione",COC1=C(C=C(C=C1)C(=O)C(=O)C2=CC=CC=C2Cl)OC,"InChI=1S/C16H13ClO4/c1-20-13-8-7-10(9-14(13)21-2)15(18)16(19)11-5-3-4-6-12(11)17/h3-9H,1-2H3",ULVSCSFZMZRZHJ-UHFFFAOYSA-N,C16H13ClO4,304.72,304.0502366,3.5,52.6,384,0,0,4,5,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANEDIONE, BIS(2-CHLOROPHENYL)-",021854-95-5,89076,"1,2-bis(2-chlorophenyl)ethane-1,2-dione",C1=CC=C(C(=C1)C(=O)C(=O)C2=CC=CC=C2Cl)Cl,InChI=1S/C14H8Cl2O2/c15-11-7-3-1-5-9(11)13(17)14(18)10-6-2-4-8-12(10)16/h1-8H,VOSNNSVWVJFJCR-UHFFFAOYSA-N,C14H8Cl2O2,279.1,277.9901349,4.2,34.1,298,0,0,2,3,18,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzil, 4-methoxy-",22711-21-3,31494,"1-(4-methoxyphenyl)-2-phenylethane-1,2-dione",COC1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2,"InChI=1S/C15H12O3/c1-18-13-9-7-12(8-10-13)15(17)14(16)11-5-3-2-4-6-11/h2-10H,1H3",NTINAJCDYRYMML-UHFFFAOYSA-N,C15H12O3,240.25,240.0786442,3.4,43.4,297,0,0,3,4,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANEDIONE, BIS(4-METHOXYPHENYL)-",001226-42-2,71043,"1,2-bis(4-methoxyphenyl)ethane-1,2-dione",COC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)OC,"InChI=1S/C16H14O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3",YNANGXWUZWWFKX-UHFFFAOYSA-N,C16H14O4,270.28,270.0892089,3.3,52.6,302,0,0,4,5,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"TRIBENURON METHYL  [2-(((((4-METHYOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)-METHYLAMINO",101200-48-0,153909,"methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate",CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC,"InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)",VLCQZHSMCYCDJL-UHFFFAOYSA-N,C15H17N5O6S,395.4,395.0899545,1.2,149,639,0,1,9,6,27,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
CHLORSULFURON,064902-72-3,47491,"1-(2-chlorophenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea",CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2Cl,"InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)",VJYIFXVZLXQVHO-UHFFFAOYSA-N,C12H12ClN5O4S,357.77,357.0298527,2.3,132,514,0,2,7,4,23,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
METSULFURON METHYL,074223-64-6,52999,"methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate",CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC,"InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)",RSMUVYRMZCOLBH-UHFFFAOYSA-N,C14H15N5O6S,381.37,381.0743044,1.5,158,609,0,2,9,6,26,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenesulfonamide, 2-(2-chloroethoxy)-N-(((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)-",82097-50-5,73282,"1-[2-(2-chloroethoxy)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea",CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl,"InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)",XOPFESVZMSQIKC-UHFFFAOYSA-N,C14H16ClN5O5S,401.8,401.0560675,2.3,141,560,0,2,8,7,26,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenesulfonamide, N-(((4,6-dimethoxy-1,3,5-triazin-2-yl)amino)carbonyl)-2-(2-methoxyethoxy)-",94593-91-6,92420,"1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-[2-(2-methoxyethoxy)phenyl]sulfonylurea",COCCOC1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OC)OC,"InChI=1S/C15H19N5O7S/c1-24-8-9-27-10-6-4-5-7-11(10)28(22,23)20-13(21)16-12-17-14(25-2)19-15(18-12)26-3/h4-7H,8-9H2,1-3H3,(H2,16,17,18,19,20,21)",WMLPCIHUFDKWJU-UHFFFAOYSA-N,C15H19N5O7S,413.4,413.1005191,1.4,159,576,0,2,10,9,28,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2-(((((4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-3-methyl-, methyl ester",126535-15-7,92434,"methyl 2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoate",CC1=C(C(=CC=C1)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C,"InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)",IMEVJVISCHQJRM-UHFFFAOYSA-N,C17H19F3N6O6S,492.4,492.103888,3.1,161,793,0,2,13,8,33,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenesulfonamide, N-(((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)-2-(3,3,3-trifluoropropyl)-",94125-34-5,91751,"1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenyl]sulfonylurea",CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F,"InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)",LTUNNEGNEKBSEH-UHFFFAOYSA-N,C15H16F3N5O4S,419.4,419.0875097,3.4,132,628,0,2,10,6,28,100.00 °C (212.00 °F) - closed cup,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2-(((((4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-, methyl ester",97780-06-8,91756,"methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate",CCOC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)NC,"InChI=1S/C15H18N6O6S/c1-4-27-15-19-12(16-2)17-13(20-15)18-14(23)21-28(24,25)10-8-6-5-7-9(10)11(22)26-3/h5-8H,4H2,1-3H3,(H3,16,17,18,19,20,21,23)",ZINJLDJMHCUBIP-UHFFFAOYSA-N,C15H18N6O6S,410.4,410.1008535,1.8,170,641,0,3,10,8,28,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2H-PYRAN, 3,4-DIHYDRO-2-METHOXY-",004454-05-1,91538,"2-methoxy-3,4-dihydro-2H-pyran",COC1CCC=CO1,"InChI=1S/C6H10O2/c1-7-6-4-2-3-5-8-6/h3,5-6H,2,4H2,1H3",XCYWUZHUTJDTGS-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,1.2,18.5,88,0,0,2,1,8,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
D-GALACTAL,021193-75-9,2734735,"(2R,3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol",C1=CO[C@@H]([C@@H]([C@@H]1O)O)CO,"InChI=1S/C6H10O4/c7-3-5-6(9)4(8)1-2-10-5/h1-2,4-9H,3H2/t4-,5-,6-/m1/s1",YVECGMZCTULTIS-HSUXUTPPSA-N,C6H10O4,146.14,146.0579088,-1,69.9,134,0,3,4,1,10,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"3,4-DIHYDRO-2H-PYRAN",000110-87-2,8080,"3,4-dihydro-2H-pyran",C1CC=COC1,"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2",BUDQDWGNQVEFAC-UHFFFAOYSA-N,C5H8O,84.12,84.05751487,0.7,9.2,57,0,0,1,0,6,"0 °F (NFPA, 2010)",,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,0
D-GLUCAL,013265-84-4,2734736,"(2R,3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol",C1=CO[C@@H]([C@H]([C@@H]1O)O)CO,"InChI=1S/C6H10O4/c7-3-5-6(9)4(8)1-2-10-5/h1-2,4-9H,3H2/t4-,5-,6+/m1/s1",YVECGMZCTULTIS-PBXRRBTRSA-N,C6H10O4,146.14,146.0579088,-1,69.9,134,0,3,4,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-Pyran-2-carboxaldehyde, 3,4-dihydro-",100-73-2,60994,"3,4-dihydro-2H-pyran-2-carbaldehyde",C1CC(OC=C1)C=O,"InChI=1S/C6H8O2/c7-5-6-3-1-2-4-8-6/h2,4-6H,1,3H2",NPWYTMFWRRIFLK-UHFFFAOYSA-N,C6H8O2,112.13,112.0524295,0.7,26.3,107,0,0,2,1,8,"118 °F (NFPA, 2010)",,0,1,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
TRI-O-ACETYL-D-GLUCAL,002873-29-2,688303,"[(2R,3S,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate",CC(=O)OC[C@@H]1[C@H]([C@@H](C=CO1)OC(=O)C)OC(=O)C,"InChI=1S/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11-,12+/m1/s1",LLPWGHLVUPBSLP-UTUOFQBUSA-N,C12H16O7,272.25,272.0896029,0.2,88.1,388,0,0,7,7,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Nicotine, tartrate (1:2)",000065-31-6,11957628,"bis((2R,3R)-2,3-dihydroxybutanedioic acid);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine",CN1CCC[C@H]1C2=CN=CC=C2.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C10H14N2.2C4H6O6/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*5-1(3(7)8)2(6)4(9)10/h2,4,6,8,10H,3,5,7H2,1H3;2*1-2,5-6H,(H,7,8)(H,9,10)/t10-;2*1-,2-/m011/s1",RFEJUZJILGIRHQ-OMDKHLBYSA-N,C18H26N2O12,462.4,462.1485743,,246,281,0,8,14,7,32,143 °C,141.3 - 302 °C (estimated),0,1,1,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
NICOTINE,000054-11-5,89594,3-[(2S)-1-methylpyrrolidin-2-yl]pyridine,CN1CCC[C@H]1C2=CN=CC=C2,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1",SNICXCGAKADSCV-JTQLQIEISA-N,C10H14N2,162.23,162.1156985,1.2,16.1,147,0,0,2,1,12,"203 °F (NIOSH, 2024)","476.1 °F at 745 mmHg (EPA, 1998)",0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
(±)-NICOTINE,022083-74-5,942,3-(1-methylpyrrolidin-2-yl)pyridine,CN1CCCC1C2=CN=CC=C2,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,C10H14N2,162.23,162.1156985,1.2,16.1,147,0,0,2,1,12,,,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
NORNICOTINE,005746-86-1,412,3-pyrrolidin-2-ylpyridine,C1CC(NC1)C2=CN=CC=C2,"InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2",MYKUKUCHPMASKF-UHFFFAOYSA-N,C9H12N2,148.2,148.1000484,0.2,24.9,125,0,1,2,1,11,,270 °C,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-NITROSONORNICOTINE,016543-55-8,12613538,3-[(2S)-1-nitrosopyrrolidin-2-yl]pyridine,C1C[C@H](N(C1)N=O)C2=CN=CC=C2,"InChI=1S/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2/t9-/m0/s1",XKABJYQDMJTNGQ-VIFPVBQESA-N,C9H11N3O,177.2,177.090212,1.1,45.6,186,0,0,4,1,13,,"309 °F at 0.2 mmHg (NTP, 1992)",0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Nicotine, 1'-demethyl-, (S)-",494-97-3,91462,3-[(2S)-pyrrolidin-2-yl]pyridine,C1C[C@H](NC1)C2=CN=CC=C2,"InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2/t9-/m0/s1",MYKUKUCHPMASKF-VIFPVBQESA-N,C9H12N2,148.2,148.1000484,0.2,24.9,125,0,1,2,1,11,,260 °C,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrrolidine, 1-acetyl-2-(3-pyridyl)-",5979-94-2,165384,1-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone,CC(=O)N1CCC[C@H]1C2=CN=CC=C2,"InChI=1S/C11H14N2O/c1-9(14)13-7-3-5-11(13)10-4-2-6-12-8-10/h2,4,6,8,11H,3,5,7H2,1H3/t11-/m0/s1",SSABMTSCLQGWBB-NSHDSACASA-N,C11H14N2O,190.24,190.1106131,0.7,33.2,217,0,0,2,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 3-(1-nitroso-2-pyrrolidinyl)-, (+-)-",84237-38-7,27919,3-(1-nitrosopyrrolidin-2-yl)pyridine,C1CC(N(C1)N=O)C2=CN=CC=C2,"InChI=1S/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2",XKABJYQDMJTNGQ-UHFFFAOYSA-N,C9H11N3O,177.2,177.090212,1.1,45.6,186,0,0,4,1,13,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pregna-1,4-diene-3,20-dione, 6-alpha, 9-difluoro-11-beta,16-alpha,17,21-tetrah",000356-12-7,9642,"[2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] acetate",CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3C[C@@H](C5=CC(=O)C=C[C@@]54C)F)F)O)C)OC(O2)(C)C,"InChI=1S/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1",WJOHZNCJWYWUJD-IUGZLZTKSA-N,C26H32F2O7,494.5,494.2116097,3.2,99.1,1070,0,1,9,4,35,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
FLUNISOLIDE (FEMALE),003385-03-3,82153,"(1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one",C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@@H](C5=CC(=O)C=C[C@]35C)F)O,"InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1",XSFJVAJPIHIPKU-XWCQMRHXSA-N,C24H31FO6,434.5,434.2104669,2.5,93.1,910,0,2,7,2,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIAMCINOLONE ACETONIDE,000076-25-5,6436,"(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one",C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)F)O,"InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1",YNDXUCZADRHECN-JNQJZLCISA-N,C24H31FO6,434.5,434.2104669,2.5,93.1,925,0,2,7,2,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,16-alpha,17,21-tetrahydroxy-, cy",005611-51-8,21826,"[2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 3,3-dimethylbutanoate",C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)COC(=O)CC(C)(C)C)CCC5=CC(=O)C=C[C@@]53C)F)O,"InChI=1S/C30H41FO7/c1-25(2,3)15-24(35)36-16-22(34)30-23(37-26(4,5)38-30)13-20-19-9-8-17-12-18(32)10-11-27(17,6)29(19,31)21(33)14-28(20,30)7/h10-12,19-21,23,33H,8-9,13-16H2,1-7H3/t19-,20-,21-,23+,27-,28-,29-,30+/m0/s1",TZIZWYVVGLXXFV-FLRHRWPCSA-N,C30H41FO7,532.6,532.2836318,4.8,99.1,1130,0,1,8,6,38,,,0,1,1,1,0,0,0,0,0,0,1,0,0,1,1,0,0,1,1,0
"Prednisolone-16,17-acetonide, 16-alpha-hydroxy-",638-94-8,5311066,"(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one",C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@]35C)O,"InChI=1S/C24H32O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,25,27H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,20+,22-,23-,24+/m0/s1",WBGKWQHBNHJJPZ-LECWWXJVSA-N,C24H32O6,416.5,416.2198887,2.7,93.1,873,0,2,6,2,30,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"Pregna-1,4-diene-3,20-dione, 9,11-dichloro-6-fluoro-21-hydroxy-16,17-((1-methylethylidene)bis(oxy))-, (6-alpha,11-beta,16-alpha)-",3693-39-8,20054914,"(1S,2S,4R,8S,9S,11S,12R,13S,19S)-11,12-dichloro-19-fluoro-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one",C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@@H](C5=CC(=O)C=C[C@@]53C)F)Cl)Cl,"InChI=1S/C24H29Cl2FO5/c1-20(2)31-19-9-13-14-8-16(27)15-7-12(29)5-6-21(15,3)23(14,26)17(25)10-22(13,4)24(19,32-20)18(30)11-28/h5-7,13-14,16-17,19,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1",NJNWEGFJCGYWQT-VSXGLTOVSA-N,C24H29Cl2FO5,487.4,486.1376076,4,72.8,964,0,1,6,2,32,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Pregna-1,4-diene-3,20-dione, 16,17-(butylidenebis(oxy))-11,21-dihydroxy-, (11-",051333-22-3,5281004,"(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one",CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C,"InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1",VOVIALXJUBGFJZ-KWVAZRHASA-N,C25H34O6,430.5,430.2355388,2.5,93.1,862,0,2,6,4,31,,,0,1,1,1,0,0,1,0,0,0,0,0,0,1,1,0,1,1,1,0
FLUOCINOLONE ACETONIDE,000067-73-2,6215,"(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one",C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@@H](C5=CC(=O)C=C[C@@]53C)F)F)O,"InChI=1S/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1",FEBLZLNTKCEFIT-VSXGLTOVSA-N,C24H30F2O6,452.5,452.201045,2.5,93.1,960,0,2,8,2,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"4-THIAZOLIDINONE, 3-AMINO-2-THIOXO-",001438-16-0,74033,"3-amino-2-sulfanylidene-1,3-thiazolidin-4-one",C1C(=O)N(C(=S)S1)N,"InChI=1S/C3H4N2OS2/c4-5-2(6)1-8-3(5)7/h1,4H2",ZBUUHLDYMKTVLT-UHFFFAOYSA-N,C3H4N2OS2,148.21,147.9765051,0.1,104,146,0,1,4,0,8,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
RHODANINE,000141-84-4,1201546,"2-sulfanylidene-1,3-thiazolidin-4-one",C1C(=O)NC(=S)S1,"InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)",KIWUVOGUEXMXSV-UHFFFAOYSA-N,C3H3NOS2,133.2,132.9656061,0.7,86.5,122,0,1,3,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-THIAZOLIDINEHEXANOIC ACID, 4-OXO-2-THIOXO-",004649-06-3,78379,"6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid",C1C(=O)N(C(=S)S1)CCCCCC(=O)O,"InChI=1S/C9H13NO3S2/c11-7-6-15-9(14)10(7)5-3-1-2-4-8(12)13/h1-6H2,(H,12,13)",IRBFCXHIPZRVJO-UHFFFAOYSA-N,C9H13NO3S2,247.3,247.0336856,1.4,115,281,0,1,5,6,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-THIAZOLIDINONE, 3-METHYL-2-THIOXO-",004807-55-0,72900,"3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one",CN1C(=O)CSC1=S,"InChI=1S/C4H5NOS2/c1-5-3(6)2-8-4(5)7/h2H2,1H3",JKLZCQWVERBDEZ-UHFFFAOYSA-N,C4H5NOS2,147.2,146.9812561,0.9,77.7,145,0,0,3,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-THIAZOLIDINEACETIC ACID, 4-OXO-2-THIOXO-",005718-83-2,79793,"2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid",C1C(=O)N(C(=S)S1)CC(=O)O,"InChI=1S/C5H5NO3S2/c7-3-2-11-5(10)6(3)1-4(8)9/h1-2H2,(H,8,9)",JGRMXPSUZIYDRR-UHFFFAOYSA-N,C5H5NO3S2,191.2,190.9710854,0.4,115,228,0,1,5,2,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Thiazolidinepropionic acid, 4-oxo-2-thioxo-",7025-19-6,81492,"3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid",C1C(=O)N(C(=S)S1)CCC(=O)O,"InChI=1S/C6H7NO3S2/c8-4-3-12-6(11)7(4)2-1-5(9)10/h1-3H2,(H,9,10)",SWAHCTPCIUXXTQ-UHFFFAOYSA-N,C6H7NO3S2,205.3,204.9867354,0.4,115,241,0,1,5,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-Thiazolidineacetic acid, alpha-methyl-4-oxo-2-thioxo-",39137-13-8,217657,"2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid",CC(C(=O)O)N1C(=O)CSC1=S,"InChI=1S/C6H7NO3S2/c1-3(5(9)10)7-4(8)2-12-6(7)11/h3H,2H2,1H3,(H,9,10)",STSZELICBFRQES-UHFFFAOYSA-N,C6H7NO3S2,205.3,204.9867354,0.8,115,253,0,1,5,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-ETHYLRHODANINE,007648-01-3,82098,"3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one",CCN1C(=O)CSC1=S,"InChI=1S/C5H7NOS2/c1-2-6-4(7)3-9-5(6)8/h2-3H2,1H3",UPCYEFFISUGBRW-UHFFFAOYSA-N,C5H7NOS2,161.3,160.9969062,1.2,77.7,157,0,0,3,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DI-O-TOLYLGUANIDINE",000097-39-2,7333,"1,2-bis(2-methylphenyl)guanidine",CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N,"InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)",OPNUROKCUBTKLF-UHFFFAOYSA-N,C15H17N3,239.32,239.1422476,3.1,50.4,287,0,2,1,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 4-[[(ETHYLPHENYLAMINO)METHYLENE]AMINO]-, ETHYL ESTER",065816-20-8,105215,ethyl 4-[(N-ethylanilino)methylideneamino]benzoate,CCN(C=NC1=CC=C(C=C1)C(=O)OCC)C2=CC=CC=C2,"InChI=1S/C18H20N2O2/c1-3-20(17-8-6-5-7-9-17)14-19-16-12-10-15(11-13-16)18(21)22-4-2/h5-14H,3-4H2,1-2H3",LTGPEBRDBMFYBR-UHFFFAOYSA-N,C18H20N2O2,296.4,296.1524779,3.7,41.9,356,0,0,3,7,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Methanimidamide, N,N'-diphenyl-",622-15-1,94888,"N,N'-diphenylmethanimidamide",C1=CC=C(C=C1)NC=NC2=CC=CC=C2,"InChI=1S/C13H12N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-11H,(H,14,15)",ZQUVDXMUKIVNOW-UHFFFAOYSA-N,C13H12N2,196.25,196.1000484,2.9,24.4,189,0,1,1,3,15,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Methanimidamide, N,N'-bis(3-(trifluoromethyl)phenyl)-",16659-14-6,204580,"N,N'-bis[3-(trifluoromethyl)phenyl]methanimidamide",C1=CC(=CC(=C1)NC=NC2=CC=CC(=C2)C(F)(F)F)C(F)(F)F,"InChI=1S/C15H10F6N2/c16-14(17,18)10-3-1-5-12(7-10)22-9-23-13-6-2-4-11(8-13)15(19,20)21/h1-9H,(H,22,23)",JLZBCBTVHQWXHQ-UHFFFAOYSA-N,C15H10F6N2,332.24,332.0748173,4.7,24.4,404,0,1,7,3,23,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIPHENYLGUANIDINE",000102-06-7,7594,"1,2-diphenylguanidine",C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N,"InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)",OWRCNXZUPFZXOS-UHFFFAOYSA-N,C13H13N3,211.26,211.1109474,2.4,50.4,225,0,2,1,3,16,"388 °F (NTP, 1992)","Decomposes >338 °F (NTP, 1992)",0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
"Formamidine, 1-cyano-N,N'-diphenyl-",6343-76-6,22814,"1-cyano-N,N'-diphenylmethanimidamide",C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)C#N,"InChI=1S/C14H11N3/c15-11-14(16-12-7-3-1-4-8-12)17-13-9-5-2-6-10-13/h1-10H,(H,16,17)",CPFBIBCZHAOUDH-UHFFFAOYSA-N,C14H11N3,221.26,221.0952974,3.1,48.2,301,0,1,2,3,17,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Guanidine, 1,3-diphenyl-, monohydrochloride",24245-27-0,520104,"1,2-diphenylguanidine;hydrochloride",C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N.Cl,"InChI=1S/C13H13N3.ClH/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;/h1-10H,(H3,14,15,16);1H",IEDHGYYAGIASNQ-UHFFFAOYSA-N,C13H14ClN3,247.72,247.0876252,,50.4,225,0,3,1,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
OUABAIN,000630-60-4,439501,"3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one",C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O,"InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1",LPMXVESGRSUGHW-HBYQJFLCSA-N,C29H44O12,584.7,584.2832768,-1.7,207,1080,0,8,12,4,41,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"Card-20(22)-enolide, 16-(acetyloxy)-3-((2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy)-14-hydroxy-, (3-beta,5-beta,16-beta)-",465-16-7,11541511,"[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate",C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O,"InChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20+,21-,22-,23+,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1",JLPDBLFIVFSOCC-XYXFTTADSA-N,C32H48O9,576.7,576.3298331,2.4,121,1080,0,2,9,6,41,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methyl-beta-L-glucopyranosyl)oxy)-14-hydroxy-",466-07-9,441867,"3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one",C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)OC)O,"InChI=1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16-,18+,19-,20+,21-,22+,24-,25-,26+,27-,28-,29+,30-/m0/s1",VPUNMTHWNSJUOG-BAOINKAISA-N,C30H46O8,534.7,534.3192684,2.1,115,968,0,3,8,4,38,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Convallatoxin,508-75-8,441852,"(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde",C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O)O,"InChI=1S/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3/t15-,17-,18+,19-,20+,22-,23+,24+,25-,26+,27-,28-,29-/m0/s1",HULMNSIAKWANQO-JQKSAQOKSA-N,C29H42O10,550.6,550.2777975,-0.7,163,1050,0,5,10,4,39,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3-beta,5-beta)-",508-77-0,441853,"(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde",C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)O,"InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17-,19+,20-,21+,22-,23+,25+,26-,27-,28+,29+,30+/m1/s1",XQCGNURMLWFQJR-ZNDDOCHDSA-N,C30H44O9,548.7,548.298533,0.8,132,1030,0,3,9,5,39,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"Card-20(22)-enolide, 3-((2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-,(3-beta,5-beta)-",630-64-8,441860,"(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde",C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O,"InChI=1S/C29H42O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,15-16,18-22,24-25,31,33-35H,3-10,12-14H2,1-2H3/t16-,18+,19-,20+,21-,22+,24+,25-,26-,27+,28+,29+/m1/s1",QBILRDAMJUPXCX-AGAUEGNUSA-N,C29H42O9,534.6,534.2828829,0.3,143,1010,0,4,9,4,38,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methyl-alpha-L-talopyranosyl)oxy)-1-beta,14-dihydroxy-",663-95-6,56675109,"3-[(1R,3R,5R,10S,13R,14S,17R)-3-[(2S,3S,4S,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-1,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one",C[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]2C[C@H]3CCC4C([C@]3([C@@H](C2)O)C)CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)OC)O,"InChI=1S/C30H46O9/c1-15-24(33)26(36-4)25(34)27(38-15)39-18-12-17-5-6-21-20(29(17,3)22(31)13-18)7-9-28(2)19(8-10-30(21,28)35)16-11-23(32)37-14-16/h11,15,17-22,24-27,31,33-35H,5-10,12-14H2,1-4H3/t15-,17+,18+,19+,20?,21?,22+,24-,25-,26-,27+,28+,29-,30-/m0/s1",DKYDBQQIQAPGMH-HPHXMODYSA-N,C30H46O9,550.7,550.314183,1.1,135,1000,0,4,9,4,39,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
OUBAIN OCTAHYDRATE,011018-89-6,6364534,"3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;octahydrate",C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O.O.O.O.O.O.O.O.O,"InChI=1S/C29H44O12.8H2O/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31;;;;;;;;/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3;8*1H2/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-;;;;;;;;/m0......../s1",TYBARJRCFHUHSN-DMJRSANLSA-N,C29H60O20,728.8,728.3677943,,215,1080,0,16,20,4,49,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"4-CHLORO-7-CHLOROSULFONYL-2,1,3-BENZOXADIAZOLE",142246-48-8,612515,"4-chloro-2,1,3-benzoxadiazole-7-sulfonyl chloride",C1=C(C2=NON=C2C(=C1)Cl)S(=O)(=O)Cl,"InChI=1S/C6H2Cl2N2O3S/c7-3-1-2-4(14(8,11)12)6-5(3)9-13-10-6/h1-2H",BPPRLMZEVZSIIJ-UHFFFAOYSA-N,C6H2Cl2N2O3S,253.06,251.9163185,1.8,81.4,318,0,0,5,1,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
4-FLUORO-7-NITROBENZOFURAZAN,029270-56-2,122123,"4-fluoro-7-nitro-2,1,3-benzoxadiazole",C1=C(C2=NON=C2C(=C1)F)[N+](=O)[O-],InChI=1S/C6H2FN3O3/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H,PGZIDERTDJHJFY-UHFFFAOYSA-N,C6H2FN3O3,183.1,183.0080191,1.1,84.7,222,0,0,6,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-(N-(7-NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)AMINO)-2-DEOXYGLUCOSE",186689-07-6,6711157,"(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanal",C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O,"InChI=1S/C12H14N4O8/c17-3-6(11(20)12(21)8(19)4-18)13-5-1-2-7(16(22)23)10-9(5)14-24-15-10/h1-3,6,8,11-13,18-21H,4H2/t6-,8+,11+,12+/m0/s1",QUTFFEUUGHUPQC-ILWYWAAHSA-N,C12H14N4O8,342.26,342.0811634,-1.4,195,449,0,5,11,7,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-HYDRAZINO-7-NITROBENZOFURAZAN,090421-78-6,3526612,"(4-nitro-2,1,3-benzoxadiazol-7-yl)hydrazine",C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NN,"InChI=1S/C6H5N5O3/c7-8-3-1-2-4(11(12)13)6-5(3)9-14-10-6/h1-2,8H,7H2",DMZATVKONWVLBE-UHFFFAOYSA-N,C6H5N5O3,195.14,195.039239,0.2,123,232,0,2,7,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
7-FLUORO-4-BENZOFURAZANSULFONAMIDE,091366-65-3,122067,"7-fluoro-2,1,3-benzoxadiazole-4-sulfonamide",C1=C(C2=NON=C2C(=C1)S(=O)(=O)N)F,"InChI=1S/C6H4FN3O3S/c7-3-1-2-4(14(8,11)12)6-5(3)9-13-10-6/h1-2H,(H2,8,11,12)",XROXHZMRDABMHS-UHFFFAOYSA-N,C6H4FN3O3S,217.18,216.9957403,-0.2,107,317,0,1,7,1,14,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
NBD-CHLORIDE,010199-89-0,25043,"4-chloro-7-nitro-2,1,3-benzoxadiazole",C1=C(C2=NON=C2C(=C1)Cl)[N+](=O)[O-],InChI=1S/C6H2ClN3O3/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H,IGHBXJSNZCFXNK-UHFFFAOYSA-N,C6H2ClN3O3,199.55,198.9784686,1.6,84.7,222,0,0,5,0,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,1,3-Benzoxadiazol-4-amine",,584570,"2,1,3-benzoxadiazol-4-amine",C1=CC2=NON=C2C(=C1)N,"InChI=1S/C6H5N3O/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,7H2",IPCMVRZVNJHUHR-UHFFFAOYSA-N,C6H5N3O,135.12,135.0432618,0.5,64.9,130,0,1,4,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
QUINUCLIDINE,000100-76-5,7527,1-azabicyclo[2.2.2]octane,C1CN2CCC1CC2,"InChI=1S/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H2",SBYHFKPVCBCYGV-UHFFFAOYSA-N,C7H13N,111.18,111.1047994,1.4,3.2,71,0,0,1,0,8,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
3-QUINUCLIDINOL,001619-34-7,15381,1-azabicyclo[2.2.2]octan-3-ol,C1CN2CCC1C(C2)O,"InChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2",IVLICPVPXWEGCA-UHFFFAOYSA-N,C7H13NO,127.18,127.099714,0.2,23.5,107,0,1,2,0,9,,Sublimes at 120 °C,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
(R)-(+)-3-AMINOQUINUCLIDINE DIHYDROCHLORIDE,123536-14-1,12494972,(3R)-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride,C1CN2CCC1[C@H](C2)N.Cl.Cl,"InChI=1S/C7H14N2.2ClH/c8-7-5-9-3-1-6(7)2-4-9;;/h6-7H,1-5,8H2;2*1H/t7-;;/m0../s1",STZHBULOYDCZET-KLXURFKVSA-N,C7H16Cl2N2,199.12,198.0690539,,29.3,105,0,3,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinuclidine, 2,2,6,6-tetramethyl-, hydrobromide",30015-57-7,160185,"2,2,6,6-tetramethyl-1-azabicyclo[2.2.2]octane;hydrobromide",CC1(CC2CCN1C(C2)(C)C)C.Br,"InChI=1S/C11H21N.BrH/c1-10(2)7-9-5-6-12(10)11(3,4)8-9;/h9H,5-8H2,1-4H3;1H",PKYZWCLYWCKYNX-UHFFFAOYSA-N,C11H22BrN,248.2,247.09356,,3.2,175,0,1,1,0,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Azabicyclo(2.2.2)octane, 3-(2-propynyloxy)-, (R)-",147025-53-4,71792,(3R)-3-prop-2-ynoxy-1-azabicyclo[2.2.2]octane,C#CCO[C@H]1CN2CCC1CC2,"InChI=1S/C10H15NO/c1-2-7-12-10-8-11-5-3-9(10)4-6-11/h1,9-10H,3-8H2/t10-/m0/s1",XVFJONKUSLSKSW-JTQLQIEISA-N,C10H15NO,165.23,165.1153641,0.8,12.5,197,0,0,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-Quinuclidinol, acetate (ester), hydrochloride",6109-70-2,170367,1-azabicyclo[2.2.2]octan-3-yl acetate;hydrochloride,CC(=O)OC1CN2CCC1CC2.Cl,"InChI=1S/C9H15NO2.ClH/c1-7(11)12-9-6-10-4-2-8(9)3-5-10;/h8-9H,2-6H2,1H3;1H",LWWSARSTZGNKGV-UHFFFAOYSA-N,C9H16ClNO2,205.68,205.0869564,,29.5,185,0,1,3,2,13,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,7-DIBROMO-2,1,3-BENZOTHIADIAZOLE",015155-41-6,626361,"4,7-dibromo-2,1,3-benzothiadiazole",C1=C(C2=NSN=C2C(=C1)Br)Br,InChI=1S/C6H2Br2N2S/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H,FEOWHLLJXAECMU-UHFFFAOYSA-N,C6H2Br2N2S,293.97,293.8285,3.2,54,142,0,0,3,0,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,1,3-BENZOTHIADIAZOLE",000273-13-2,67502,"2,1,3-benzothiadiazole",C1=CC2=NSN=C2C=C1,InChI=1S/C6H4N2S/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,PDQRQJVPEFGVRK-UHFFFAOYSA-N,C6H4N2S,136.18,136.0095193,2,54,95,0,0,3,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-BROMO-2,1,3-BENZOTHIADIZSOLE",022034-13-5,736492,"4-bromo-2,1,3-benzothiadiazole",C1=CC2=NSN=C2C(=C1)Br,InChI=1S/C6H3BrN2S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,KYKBVPGDKGABHY-UHFFFAOYSA-N,C6H3BrN2S,215.07,213.92003,2.5,54,133,0,0,3,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,1,3-Benzothiadiazole, 4-amino-",767-64-6,69845,"2,1,3-benzothiadiazol-4-amine",C1=CC2=NSN=C2C(=C1)N,"InChI=1S/C6H5N3S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,7H2",DRLGIZIAMHIQHL-UHFFFAOYSA-N,C6H5N3S,151.19,151.0204184,1.1,80,130,0,1,4,0,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,1,3-Benzothia(S IV)diazole, 4-amino-5-methyl-",53552-19-5,960719,"5-methyl-2,1,3-benzothiadiazol-4-amine",CC1=C(C2=NSN=C2C=C1)N,"InChI=1S/C7H7N3S/c1-4-2-3-5-7(6(4)8)10-11-9-5/h2-3H,8H2,1H3",HREWQZHLWPVDGL-UHFFFAOYSA-N,C7H7N3S,165.22,165.0360684,1.5,80,153,0,1,4,0,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,1,3-Benzothiadiazole-2(S(sup IV))-4,5-diamine",83797-51-7,768453,"2,1,3-benzothiadiazole-4,5-diamine",C1=CC2=NSN=C2C(=C1N)N,"InChI=1S/C6H6N4S/c7-3-1-2-4-6(5(3)8)10-11-9-4/h1-2H,7-8H2",KBTZPUWOUVFXHS-UHFFFAOYSA-N,C6H6N4S,166.21,166.0313174,0.4,106,154,0,2,5,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,1,3-Benzothiadiazole, 4-chlorosulfonyl-",73713-79-8,2735459,"2,1,3-benzothiadiazole-4-sulfonyl chloride",C1=CC2=NSN=C2C(=C1)S(=O)(=O)Cl,"InChI=1S/C6H3ClN2O2S2/c7-13(10,11)5-3-1-2-4-6(5)9-12-8-4/h1-3H",CXAICGCTHOWKPP-UHFFFAOYSA-N,C6H3ClN2O2S2,234.7,233.9324474,1.8,96.5,289,0,0,5,1,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CAMPTOTHECINE,007689-03-4,24360,"(19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione",CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O,"InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1",VSJKWCGYPAHWDS-FQEVSTJZSA-N,C20H16N2O4,348.4,348.111007,1,79.7,742,0,1,5,1,26,,,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4,9-dihydroxy-,hydrate, (S)-",19685-09-7,97226,"(19S)-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione",CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)O)O,"InChI=1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m0/s1",HAWSQZCWOQZXHI-FQEVSTJZSA-N,C20H16N2O5,364.4,364.1059216,0.6,100,774,0,2,6,1,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4,7-diethyl-4,10-dihydroxy-",86639-52-3,104842,"(19S)-10,19-diethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione",CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O,"InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1",FJHBVJOVLFPMQE-QFIPXVFZSA-N,C22H20N2O5,392.4,392.1372217,1.4,100,820,0,2,6,2,29,,,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-10-nitro-, (4S)-",91421-42-0,472335,"(19S)-19-ethyl-19-hydroxy-8-nitro-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione",CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5[N+](=O)[O-])N=C4C3=C2)O,"InChI=1S/C20H15N3O6/c1-2-20(26)13-7-16-17-10(8-22(16)18(24)12(13)9-29-19(20)25)6-11-14(21-17)4-3-5-15(11)23(27)28/h3-7,26H,2,8-9H2,1H3/t20-/m0/s1",VHXNKPBCCMUMSW-FQEVSTJZSA-N,C20H15N3O6,393.3,393.0960852,0.8,126,861,0,1,7,1,29,,,0,0,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0
"1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 10-((dimethylamino)methyl)-4-ethyl-4,9-dihydroxy-, monohydrochloride, (4S)-",119413-54-6,60699,"(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;hydrochloride",CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O.Cl,"InChI=1S/C23H23N3O5.ClH/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20;/h5-8,27,30H,4,9-11H2,1-3H3;1H/t23-;/m0./s1",DGHHQBMTXTWTJV-BQAIUKQQSA-N,C23H24ClN3O5,457.9,457.1404486,,103,867,0,3,7,3,32,,,0,0,0,1,0,1,1,1,0,0,1,0,0,1,0,0,1,0,0,1
"1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-11-carboxaldehyde, 4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-, 11-(O-(1,1-dimethylethyl)oxime), (4S)-",292618-32-7,9577124,"(19S)-19-ethyl-19-hydroxy-10-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione",CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)/C=N/OC(C)(C)C)O,"InChI=1S/C25H25N3O5/c1-5-25(31)18-10-20-21-16(12-28(20)22(29)17(18)13-32-23(25)30)15(11-26-33-24(2,3)4)14-8-6-7-9-19(14)27-21/h6-11,31H,5,12-13H2,1-4H3/b26-11+/t25-/m0/s1",UIVFUQKYVFCEKJ-OPTOVBNMSA-N,C25H25N3O5,447.5,447.1794209,2,101,948,0,1,7,4,33,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Thiazolamine, 4-(4-chlorophenyl)-",2103-99-3,73241,"4-(4-chlorophenyl)-1,3-thiazol-2-amine",C1=CC(=CC=C1C2=CSC(=N2)N)Cl,"InChI=1S/C9H7ClN2S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)",DWGWNNCHJPKZNC-UHFFFAOYSA-N,C9H7ClN2S,210.68,210.0018471,3.2,67.2,171,0,1,3,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiazole, 2-amino-4-(p-methoxyphenyl)-",4/3/04,159644,"4-(4-methoxyphenyl)-1,3-thiazol-2-amine",COC1=CC=C(C=C1)C2=CSC(=N2)N,"InChI=1S/C10H10N2OS/c1-13-8-4-2-7(3-5-8)9-6-14-10(11)12-9/h2-6H,1H3,(H2,11,12)",YPVVEXKDPBRGIK-UHFFFAOYSA-N,C10H10N2OS,206.27,206.0513841,2.6,76.4,183,0,1,4,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiazole, 2-amino-5-methyl-4-phenyl-",30709-67-2,96129,"5-methyl-4-phenyl-1,3-thiazol-2-amine",CC1=C(N=C(S1)N)C2=CC=CC=C2,"InChI=1S/C10H10N2S/c1-7-9(12-10(11)13-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12)",HTXQOROHFFYFMC-UHFFFAOYSA-N,C10H10N2S,190.27,190.0564695,2.7,67.2,168,0,1,3,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Thiazoleacetic acid, 2-methyl-4-phenyl-",34272-66-7,214800,"2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetic acid",CC1=NC(=C(S1)CC(=O)O)C2=CC=CC=C2,"InChI=1S/C12H11NO2S/c1-8-13-12(9-5-3-2-4-6-9)10(16-8)7-11(14)15/h2-6H,7H2,1H3,(H,14,15)",KNTHNSIRLQYLHR-UHFFFAOYSA-N,C12H11NO2S,233.29,233.0510498,3.3,78.4,253,0,1,4,3,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, ((4-phenyl-2-thiazolyl)amino)oxo-, ethyl ester",74531-87-6,1861346,"ethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate",CCOC(=O)C(=O)NC1=NC(=CS1)C2=CC=CC=C2,"InChI=1S/C13H12N2O3S/c1-2-18-12(17)11(16)15-13-14-10(8-19-13)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15,16)",JSDDXJXVRWCEBV-UHFFFAOYSA-N,C13H12N2O3S,276.31,276.0568634,2.8,96.5,332,0,1,5,5,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Thiazole, 2-amino-4-(p-nitrophenyl)-",9/8/04,16420,"4-(4-nitrophenyl)-1,3-thiazol-2-amine",C1=CC(=CC=C1C2=CSC(=N2)N)[N+](=O)[O-],"InChI=1S/C9H7N3O2S/c10-9-11-8(5-15-9)6-1-3-7(4-2-6)12(13)14/h1-5H,(H2,10,11)",RIKJWJIWXCUKQV-UHFFFAOYSA-N,C9H7N3O2S,221.24,221.0258977,2.4,113,238,0,1,5,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PIPERIDINECARBOXAMIDE, N-(2,6-DIMETHYLPHENYL)-1-METHYL-",000096-88-8,4062,"N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide",CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2C,"InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)",INWLQCZOYSRPNW-UHFFFAOYSA-N,C15H22N2O,246.35,246.1732133,1.9,32.3,282,0,1,2,2,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-PIPERIDINECARBOXAMIDE, N-(2,6-DIMETHYLPHENYL)-1-METHYL-, MONOHYDROCHLORIDE",001722-62-9,66070,"N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride",CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2C.Cl,"InChI=1S/C15H22N2O.ClH/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3;/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18);1H",RETIMRUQNCDCQB-UHFFFAOYSA-N,C15H23ClN2O,282.81,282.1498911,,32.3,282,0,2,2,2,19,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Piperidinecarboxamide, N-(2,6-dimethylphenyl)-",15883-20-2,115282,"N-(2,6-dimethylphenyl)piperidine-2-carboxamide",CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2,"InChI=1S/C14H20N2O/c1-10-6-5-7-11(2)13(10)16-14(17)12-8-3-4-9-15-12/h5-7,12,15H,3-4,8-9H2,1-2H3,(H,16,17)",SILRCGDPZGQJOQ-UHFFFAOYSA-N,C14H20N2O,232.32,232.1575633,2.3,41.1,257,0,2,2,2,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2',6'-Pipecoloxylidide, 1-butyl-, L-(-)-",27262-47-1,92253,"(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide",CCCCN1CCCC[C@H]1C(=O)NC2=C(C=CC=C2C)C,"InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1",LEBVLXFERQHONN-INIZCTEOSA-N,C18H28N2O,288.4,288.2201635,3.4,32.3,321,0,1,2,5,21,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"2',6'-Pipecoloxylidide, 1-butyl-, hydrochloride, (-)-",27262-48-2,117965,"(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride",CCCCN1CCCC[C@H]1C(=O)NC2=C(C=CC=C2C)C.Cl,"InChI=1S/C18H28N2O.ClH/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3;/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21);1H/t16-;/m0./s1",SIEYLFHKZGLBNX-NTISSMGPSA-N,C18H29ClN2O,324.9,324.1968412,,32.3,321,0,2,2,5,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Piperidinecarboxamide, N-(2,6-dimethylphenyl)-1-propyl-, (S)-(-)-",84057-95-4,175805,"(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide",CCCN1CCCC[C@H]1C(=O)NC2=C(C=CC=C2C)C,"InChI=1S/C17H26N2O/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1",ZKMNUMMKYBVTFN-HNNXBMFYSA-N,C17H26N2O,274.4,274.2045135,2.9,32.3,308,0,1,2,4,20,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-Piperidinecarboxamide, N-(2,6-dimethylphenyl)-1-propyl-, monohydrochloride, (S)-",98717-15-8,175804,"(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;hydrochloride",CCCN1CCCC[C@H]1C(=O)NC2=C(C=CC=C2C)C.Cl,"InChI=1S/C17H26N2O.ClH/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3;/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20);1H/t15-;/m0./s1",NDNSIBYYUOEUSV-RSAXXLAASA-N,C17H27ClN2O,310.9,310.1811912,,32.3,308,0,2,2,4,21,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2',6'-Pipecoloxylidide, 1-butyl-, hydrochloride, (+-)-",18010-40-7,64737,"1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride",CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C.Cl,"InChI=1S/C18H28N2O.ClH/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3;/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21);1H",SIEYLFHKZGLBNX-UHFFFAOYSA-N,C18H29ClN2O,324.9,324.1968412,,32.3,321,0,2,2,5,22,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"19-Nor-17-alpha-pregna-4,9,11-trien-20-yn-3-one, 17-hydroxy-",000848-21-5,13313,"(8S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one",C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#C)O,"InChI=1S/C20H22O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,8,10,12,17-18,22H,4-7,9,11H2,2H3/t17-,18+,19+,20+/m1/s1",GVDMJXQHPUYPHP-FYQPLNBISA-N,C20H22O2,294.4,294.1619799,1.8,37.3,698,0,1,2,1,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Estra-4,9,11-trien-3-one, 17-alpha-allyl-17-hydroxy-",000850-52-2,10041070,"(8S,13S,14S,17R)-17-hydroxy-13-methyl-17-prop-2-enyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one",C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(CC=C)O,"InChI=1S/C21H26O2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22)5-7-16(14)17(18)8-11-20(19,21)2/h3,8,11,13,18-19,23H,1,4-7,9-10,12H2,2H3/t18-,19+,20+,21+/m1/s1",VWAUPFMBXBWEQY-ANULTFPQSA-N,C21H26O2,310.4,310.1932801,2.8,37.3,665,0,1,2,2,23,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
METHYLTRIENOLONE,000965-93-5,261000,"(8S,13S,14S,17S)-17-hydroxy-13,17-dimethyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one",C[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)C)O,"InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1",CCCIJQPRIXGQOE-XWSJACJDSA-N,C19H24O2,284.4,284.17763,2.1,37.3,609,0,1,2,0,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Estra-4,9,11-trien-3-one, 17-beta-hydroxy-, acetate",010161-34-9,66359,"[(8S,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate",CC(=O)O[C@H]1CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)C,"InChI=1S/C20H24O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h9-11,17-19H,3-8H2,1-2H3/t17-,18+,19+,20+/m1/s1",CMRJPMODSSEAPL-FYQPLNBISA-N,C20H24O3,312.4,312.1725446,2.5,43.4,666,0,0,3,2,23,,,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
EPITRENBOLONE,080657-17-6,149836,"(8S,13S,14S,17R)-17-hydroxy-13-methyl-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-one",C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@H]2O,"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h8-10,15-17,20H,2-7H2,1H3/t15-,16+,17-,18+/m1/s1",MEHHPFQKXOUFFV-XDNAFOTISA-N,C18H22O2,270.4,270.1619799,1.9,37.3,566,0,1,2,0,20,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"TRENBOLONE (FINAPLIX-S, FINAJET, PARABOLAN)",010161-33-8,25015,"(8S,13S,14S,17S)-17-hydroxy-13-methyl-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-one",C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O,"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h8-10,15-17,20H,2-7H2,1H3/t15-,16+,17+,18+/m1/s1",MEHHPFQKXOUFFV-OWSLCNJRSA-N,C18H22O2,270.4,270.1619799,1.9,37.3,566,0,1,2,0,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"13-ethyl-17-hydroxy-18,19-Dinor-17-alpha-pregna-4,9,11-trien-20-yn-3-one",016320-04-0,27812,"(8S,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one",CC[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#C)O,"InChI=1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3/t18-,19+,20+,21+/m1/s1",BJJXHLWLUDYTGC-ANULTFPQSA-N,C21H24O2,308.4,308.17763,2.2,37.3,713,0,1,2,2,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
TETRAHYDROGESTRINONE,618903-56-3,6857686,"(8S,13S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one",CC[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)CC)O,"InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3/t18-,19+,20+,21+/m1/s1",OXHNQTSIKGHVBH-ANULTFPQSA-N,C21H28O2,312.4,312.2089301,3,37.3,638,0,1,2,2,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Ketone, 3,5-dibromo-4-hydroxyphenyl 2-ethyl-3-benzofuranyl",003562-84-3,2333,"(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone",CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)O)Br,"InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3",WHQCHUCQKNIQEC-UHFFFAOYSA-N,C17H12Br2O3,424.1,423.91327,5.7,50.4,405,0,1,3,3,22,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
DESETHYLAMIODARONE (HYDROCHLORIDE),096027-74-6,178801,"(2-butyl-1-benzofuran-3-yl)-[4-[2-(ethylamino)ethoxy]-3,5-diiodophenyl]methanone;hydrochloride",CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCNCC)I.Cl,"InChI=1S/C23H25I2NO3.ClH/c1-3-5-9-20-21(16-8-6-7-10-19(16)29-20)22(27)15-13-17(24)23(18(25)14-15)28-12-11-26-4-2;/h6-8,10,13-14,26H,3-5,9,11-12H2,1-2H3;1H",OCQPMJVGWGJLLG-UHFFFAOYSA-N,C23H26ClI2NO3,653.7,652.96907,,51.5,508,0,2,4,10,30,,,1,0,0,1,0,1,1,1,0,0,0,0,0,1,0,0,1,0,0,1
AMIODARONE HYDROCHLORIDE,019774-82-4,441325,"(2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone;hydrochloride",CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I.Cl,"InChI=1S/C25H29I2NO3.ClH/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3;/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3;1H",ITPDYQOUSLNIHG-UHFFFAOYSA-N,C25H30ClI2NO3,681.8,681.00037,,42.7,547,0,1,4,11,32,,,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"(2-BUTYL-1-BENZOFURAN-3-YL)-[3,5-DIIODO-4-(1,1,2,2-TETRADEUTERIO-2-DIETHYLAMINOETHOXY)PHENYL]METHANONE HYDROCHLORIDE",1216715-80-8,45038158,"(2-butyl-1-benzofuran-3-yl)-[3,5-diiodo-4-[1,1,2,2-tetradeuterio-2-(diethylamino)ethoxy]phenyl]methanone;hydrochloride",[2H]C([2H])(C([2H])([2H])OC1=C(C=C(C=C1I)C(=O)C2=C(OC3=CC=CC=C32)CCCC)I)N(CC)CC.Cl,"InChI=1S/C25H29I2NO3.ClH/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3;/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3;1H/i13D2,14D2;",ITPDYQOUSLNIHG-MMJSDMDPSA-N,C25H30ClI2NO3,685.8,685.02547,,42.7,547,0,1,4,11,32,,,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ketone, 3,5-diiodo-4-hydroxyphenyl 2-ethyl-3-benzofuranyl",68-90-6,6237,"(2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone",CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)O)I,"InChI=1S/C17H12I2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3",CZCHIEJNWPNBDE-UHFFFAOYSA-N,C17H12I2O3,518.08,517.88759,5.6,50.4,405,0,1,3,3,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Methanesulfonamide, N-(2-butyl-3-(4-(3-(dibutylamino)propoxy)benzoyl)-5-benzofuranyl)-",141626-36-0,208898,N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide,CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC,"InChI=1S/C31H44N2O5S/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3/h13-18,23,32H,5-12,19-22H2,1-4H3",ZQTNQVWKHCQYLQ-UHFFFAOYSA-N,C31H44N2O5S,556.8,556.2970937,7.2,97.2,800,0,1,7,18,39,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"3H-INDOLIUM, 2-[[(4-METHOXYPHENYL)METHYLHYDRAZONO]METHYL]-1,3,3-TRIMETHYL-, ME",054060-92-3,9570625,"4-methoxy-N-methyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;methyl sulfate",CC1(C2=CC=CC=C2[N+](=C1/C=N/N(C)C3=CC=C(C=C3)OC)C)C.COS(=O)(=O)[O-],"InChI=1S/C20H24N3O.CH4O4S/c1-20(2)17-8-6-7-9-18(17)22(3)19(20)14-21-23(4)15-10-12-16(24-5)13-11-15;1-5-6(2,3)4/h6-14H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1",SPWPAFQLIZTXFN-UHFFFAOYSA-M,C21H27N3O5S,433.5,433.1671421,,103,594,0,0,7,4,30,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"3H-INDOLIUM, 1,3,3-TRIMETHYL-2-[(METHYLPHENYLHYDRAZONO)METHYL]-, CHLORIDE",055850-01-6,108778,"N-methyl-N-[(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline chloride",CC1(C2=CC=CC=C2[N+](=C1C=NN(C)C3=CC=CC=C3)C)C.[Cl-],"InChI=1S/C19H22N3.ClH/c1-19(2)16-12-8-9-13-17(16)21(3)18(19)14-20-22(4)15-10-6-5-7-11-15;/h5-14H,1-4H3;1H/q+1;/p-1",LBIIFZVMMKQPOY-UHFFFAOYSA-M,C19H22ClN3,327.8,327.1502254,,18.6,457,0,0,3,3,23,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"DIAZENIUM, 2-[(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)METHYL]-1-METHYL",038151-74-5,109600,"N,4-dimethyl-N-[(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline chloride",CC1=CC=C(C=C1)N(C)N=CC2=[N+](C3=CC=CC=C3C2(C)C)C.[Cl-],"InChI=1S/C20H24N3.ClH/c1-15-10-12-16(13-11-15)23(5)21-14-19-20(2,3)17-8-6-7-9-18(17)22(19)4;/h6-14H,1-5H3;1H/q+1;/p-1",XNBDPEPVMIIATO-UHFFFAOYSA-M,C20H24ClN3,341.9,341.1658755,,18.6,483,0,0,3,3,24,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"3H-INDOLIUM, 1,3,3-TRIMETHYL-2-[(METHYLPHENYLHYDRAZONO)METHYL]-, SULFATE (1:1)",065121-73-5,105183,"hydrogen sulfate;N-methyl-N-[(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline",CC1(C2=CC=CC=C2[N+](=C1C=NN(C)C3=CC=CC=C3)C)C.OS(=O)(=O)[O-],"InChI=1S/C19H22N3.H2O4S/c1-19(2)16-12-8-9-13-17(16)21(3)18(19)14-20-22(4)15-10-6-5-7-11-15;1-5(2,3)4/h5-14H,1-4H3;(H2,1,2,3,4)/q+1;/p-1",TVVVIPKPEFHAOO-UHFFFAOYSA-M,C19H23N3O4S,389.5,389.1409274,,104,533,0,1,6,3,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3H-INDOLIUM, 1,3,3-TRIMETHYL-2-[[METHYL(4-METHYLPHENYL)HYDRAZONO]METHYL]-, ACE",083949-71-7,9577817,"N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline acetate",CC1=CC=C(C=C1)N(C)/N=C/C2=[N+](C3=CC=CC=C3C2(C)C)C.CC(=O)[O-],"InChI=1S/C20H24N3.C2H4O2/c1-15-10-12-16(13-11-15)23(5)21-14-19-20(2,3)17-8-6-7-9-18(17)22(19)4;1-2(3)4/h6-14H,1-5H3;1H3,(H,3,4)/q+1;/p-1",SAHUHQOIHAFYOP-UHFFFAOYSA-M,C22H27N3O2,365.5,365.2103271,,58.7,509,0,0,4,3,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3H-INDOLIUM, 1,3,3-TRIMETHYL-2-[(METHYLPHENYLHYDRAZONO)METHYL]-, METHYL SULFAT",083949-75-1,174349,"methyl sulfate;N-methyl-N-[(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline",CC1(C2=CC=CC=C2[N+](=C1C=NN(C)C3=CC=CC=C3)C)C.COS(=O)(=O)[O-],"InChI=1S/C19H22N3.CH4O4S/c1-19(2)16-12-8-9-13-17(16)21(3)18(19)14-20-22(4)15-10-6-5-7-11-15;1-5-6(2,3)4/h5-14H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",LPQMOFIXRVVOSF-UHFFFAOYSA-M,C20H25N3O4S,403.5,403.1565775,,93.4,548,0,0,6,3,28,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Morphinan-6-alpha-ol, 4,5-alpha-epoxy-3-methoxy-17-methyl-, tartrate (1:1)",5965-13-9,5492624,"(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(2R,3R)-2,3-dihydroxybutanedioic acid",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C18H23NO3.C4H6O6/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;5-1(3(7)8)2(6)4(9)10/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-,12+,13-,17-,18-;1-,2-/m01/s1",ZGSZBVAEVPSPFM-HYTSPMEMSA-N,C22H29NO9,451.5,451.1842315,,157,605,0,5,10,4,32,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,1
"Codeine B, dihydro-14-hydroxy-",7183-69-9,5360241,"(4R,4aS,7S,7aR,12bS)-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol",CN1CC[C@]23[C@@H]4[C@H](CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O)O,"InChI=1S/C18H23NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,11,13,16,20-21H,5-9H2,1-2H3/t11-,13+,16-,17-,18+/m0/s1",LHTAJTFGGUDLRH-QMVVXIJUSA-N,C18H23NO4,317.4,317.1627082,-0.8,62.2,515,0,2,5,1,23,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Morphinan-6-alpha-ol, 4,5-alpha-epoxy-3-methoxy-17-methyl-, phosphate (1:1) (salt)",24204-13-5,5493302,"(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;phosphoric acid",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)O.OP(=O)(O)O,"InChI=1S/C18H23NO3.H3O4P/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;1-5(2,3)4/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3;(H3,1,2,3,4)/t11-,12+,13-,17-,18-;/m0./s1",HFBYLYCMISIEMM-FFHNEAJVSA-N,C18H26NO7P,399.4,399.1446892,,120,521,0,4,8,1,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"Morphinan, 4,5-alpha-epoxy-3,6-dimethoxy-17-methyl-",41714-53-8,5492634,"(4R,4aR,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(CC4)OC,"InChI=1S/C19H25NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4,6,12-13,15,18H,5,7-10H2,1-3H3/t12-,13+,15?,18-,19-/m0/s1",RVJQWONQPCTLDL-SEYRRXLCSA-N,C19H25NO3,315.4,315.1834437,2.7,30.9,485,0,0,4,2,23,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"DIHYDROCODEINE (DIDRATE, PARZONE)",000125-28-0,5284543,"(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)O,"InChI=1S/C18H23NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1",RBOXVHNMENFORY-DNJOTXNNSA-N,C18H23NO3,301.4,301.1677936,2.2,41.9,471,0,1,4,1,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
DIHYDROMORPHINE,000509-60-4,5359421,"(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](CC4)O,"InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1",IJVCSMSMFSCRME-KBQPJGBKSA-N,C17H21NO3,287.35,287.1521435,1.8,52.9,457,0,2,4,0,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Morphinan-3,6-beta-diol, 4,5-alpha-epoxy-17-methyl-",26626-12-0,9814448,"(4R,4aR,7R,7aR,12bS)-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@@H](CC4)O,"InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13+,16-,17-/m0/s1",IJVCSMSMFSCRME-NOSXKOESSA-N,C17H21NO3,287.35,287.1521435,1.8,52.9,457,0,2,4,0,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"PHENOL, 2-(1H-BENZIMIDAZOL-2-YL)-",002963-66-8,18075,2-(1H-benzimidazol-2-yl)phenol,C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)O,"InChI=1S/C13H10N2O/c16-12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13/h1-8,16H,(H,14,15)",XWXMGTIHBYFTIE-UHFFFAOYSA-N,C13H10N2O,210.23,210.0793129,2.9,48.9,246,0,2,2,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(4-AMINOPHENYL)-1H-BENZIMIDAZOL-5-AMINE,007621-86-5,24260,2-(4-aminophenyl)-3H-benzimidazol-5-amine,C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)N)N,"InChI=1S/C13H12N4/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,14-15H2,(H,16,17)",XAFOTXWPFVZQAZ-UHFFFAOYSA-N,C13H12N4,224.26,224.1061964,1.9,80.7,262,0,3,3,1,17,,,0,1,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"1H-BENZIMIDAZOLE-5-SULFONIC ACID, 2-PHENYL-",027503-81-7,33919,2-phenyl-3H-benzimidazole-5-sulfonic acid,C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O,"InChI=1S/C13H10N2O3S/c16-19(17,18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)(H,16,17,18)",UVCJGUGAGLDPAA-UHFFFAOYSA-N,C13H10N2O3S,274.3,274.0412134,2,91.4,414,0,2,4,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-Benzimidazole, 2-(2-chlorophenyl)-",3574-96-7,77123,2-(2-chlorophenyl)-1H-benzimidazole,C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)Cl,"InChI=1S/C13H9ClN2/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H,(H,15,16)",OILIYWFQRJOPAI-UHFFFAOYSA-N,C13H9ClN2,228.67,228.045426,3.9,28.7,246,0,1,1,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
2-PHENYLBENZIMIDAZOLE,000716-79-0,12855,2-phenyl-1H-benzimidazole,C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2,"InChI=1S/C13H10N2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H,(H,14,15)",DWYHDSLIWMUSOO-UHFFFAOYSA-N,C13H10N2,194.23,194.0843983,3.2,28.7,211,0,1,1,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-[(4-HYDROXY-3-METHOXYPHENYL)METHYLENE]-2-THIOXO-4-THIAZOLIDINONE,005447-37-0,1268919,"(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one",COC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=S)S2)O,"InChI=1S/C11H9NO3S2/c1-15-8-4-6(2-3-7(8)13)5-9-10(14)12-11(16)17-9/h2-5,13H,1H3,(H,12,14,16)/b9-5+",OWXPWWRBBBGOLO-WEVVVXLNSA-N,C11H9NO3S2,267.3,267.0023855,2.4,116,370,0,2,5,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Rhodanine, 5-benzylidene-",3806-42-6,1273209,"(5E)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one",C1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)S2,"InChI=1S/C10H7NOS2/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-6H,(H,11,12,13)/b8-6+",OONWCXLYKDWKOU-SOFGYWHQSA-N,C10H7NOS2,221.3,220.9969062,2.8,86.5,292,0,1,3,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4-Thiazolidinone, 5-((4-chlorophenyl)methylene)-2-thioxo-",6318-37-2,1380234,"(5Z)-5-[(4-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one",C1=CC(=CC=C1/C=C\2/C(=O)NC(=S)S2)Cl,"InChI=1S/C10H6ClNOS2/c11-7-3-1-6(2-4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)/b8-5-",HIWUQEXWRIIIKB-YVMONPNESA-N,C10H6ClNOS2,255.7,254.9579339,3.4,86.5,321,0,1,3,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Rhodanine, 5-(p-chlorobenzylidene)-3-ethyl-",6326-75-6,5749224,"(5Z)-5-[(4-chlorophenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one",CCN1C(=O)/C(=C/C2=CC=C(C=C2)Cl)/SC1=S,"InChI=1S/C12H10ClNOS2/c1-2-14-11(15)10(17-12(14)16)7-8-3-5-9(13)6-4-8/h3-7H,2H2,1H3/b10-7-",VGKYCYJXUJDIAE-YFHOEESVSA-N,C12H10ClNOS2,283.8,282.989234,4,77.7,362,0,0,3,2,17,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Rhodanine, 5-(m-hydroxy-alpha-methylbenzylidene)-",21147-57-9,3038239,"(5Z)-5-[1-(3-hydroxyphenyl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one",C/C(=C/1\C(=O)NC(=S)S1)/C2=CC(=CC=C2)O,"InChI=1S/C11H9NO2S2/c1-6(7-3-2-4-8(13)5-7)9-10(14)12-11(15)16-9/h2-5,13H,1H3,(H,12,14,15)/b9-6-",ZCPCMWDOKOEAKZ-TWGQIWQCSA-N,C11H9NO2S2,251.3,251.0074709,3.1,107,365,0,2,4,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4-Thiazolidinone, 5-((4-ethylphenyl)methylene)-2-thioxo-, (5Z)-",403811-55-2,1271002,"(5E)-5-[(4-ethylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one",CCC1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)S2,"InChI=1S/C12H11NOS2/c1-2-8-3-5-9(6-4-8)7-10-11(14)13-12(15)16-10/h3-7H,2H2,1H3,(H,13,14,15)/b10-7+",SVXDHPADAXBMFB-JXMROGBWSA-N,C12H11NOS2,249.4,249.0282063,3.6,86.5,330,0,1,3,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
P-DIMETHYLAMINOBENZAL RHODANINE,000536-17-4,1273211,"(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one",CN(C)C1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)S2,"InChI=1S/C12H12N2OS2/c1-14(2)9-5-3-8(4-6-9)7-10-11(15)13-12(16)17-10/h3-7H,1-2H3,(H,13,15,16)/b10-7+",JJRVRELEASDUMY-JXMROGBWSA-N,C12H12N2OS2,264.4,264.0391054,2.9,89.7,358,0,1,4,2,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4-THIAZOLIDINONE, 5-[[4-(DIETHYLAMINO)PHENYL]METHYLENE]-2-THIOXO-",035778-58-6,1237172,"(5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one",CCN(CC)C1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)S2,"InChI=1S/C14H16N2OS2/c1-3-16(4-2)11-7-5-10(6-8-11)9-12-13(17)15-14(18)19-12/h5-9H,3-4H2,1-2H3,(H,15,17,18)/b12-9+",CWQLQYNQWCTDQF-FMIVXFBMSA-N,C14H16N2OS2,292.4,292.0704055,3.7,89.7,383,0,1,4,4,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GENISTEIN,000446-72-0,5280961,"5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one",C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H",TZBJGXHYKVUXJN-UHFFFAOYSA-N,C15H10O5,270.24,270.0528234,2.7,87,410,0,3,5,1,20,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
DAIDZEIN,000486-66-8,5281708,7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one,C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O,"InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H",ZQSIJRDFPHDXIC-UHFFFAOYSA-N,C15H10O4,254.24,254.0579088,2.5,66.8,382,0,2,4,1,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4H-1-Benzopyran-4-one, 3-(3,4-dihydroxyphenyl)-7-hydroxy-",485-63-2,5284648,"3-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one",C1=CC(=C(C=C1C2=COC3=C(C2=O)C=CC(=C3)O)O)O,"InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H",DDKGKOOLFLYZDL-UHFFFAOYSA-N,C15H10O5,270.24,270.0528234,2.1,87,418,0,3,5,1,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)-",485-72-3,5280378,7-hydroxy-3-(4-methoxyphenyl)chromen-4-one,COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O,"InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3",HKQYGTCOTHHOMP-UHFFFAOYSA-N,C16H12O4,268.26,268.0735589,2.8,55.8,395,0,1,4,2,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-1-Benzopyran-4-one, 7-hydroxy-3-phenyl-",13057-72-2,5376891,7-hydroxy-3-phenylchromen-4-one,C1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O,"InChI=1S/C15H10O3/c16-11-6-7-12-14(8-11)18-9-13(15(12)17)10-4-2-1-3-5-10/h1-9,16H",WMKOZARWBMFKAS-UHFFFAOYSA-N,C15H10O3,238.24,238.0629942,2.8,46.5,355,0,1,3,1,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 3-(4-fluorophenyl)-7-(1-methylethoxy)-",131814-58-9,746742,3-(4-fluorophenyl)-7-propan-2-yloxychromen-4-one,CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)F,"InChI=1S/C18H15FO3/c1-11(2)22-14-7-8-15-17(9-14)21-10-16(18(15)20)12-3-5-13(19)6-4-12/h3-11H,1-2H3",BZTQIVBTNKHMHV-UHFFFAOYSA-N,C18H15FO3,298.3,298.1005225,4.1,35.5,438,0,0,4,3,22,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Isoflavone, 4',5,7-trihydroxy-6-methoxy-",548-77-6,5281811,"5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one",COC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)O)O,"InChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3",OBBCRPUNCUPUOS-UHFFFAOYSA-N,C16H12O6,300.26,300.0633881,2.6,96.2,454,0,3,6,2,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
7-METHYLBENZO(A)PYRENE,063041-77-0,44368,7-methylbenzo[a]pyrene,CC1=C2C=C3C=CC4=C5C3=C(C2=CC=C1)C=CC5=CC=C4,"InChI=1S/C21H14/c1-13-4-2-7-17-18-11-10-15-6-3-5-14-8-9-16(12-19(13)17)21(18)20(14)15/h2-12H,1H3",PYVWGNPFWVQISD-UHFFFAOYSA-N,C21H14,266.3,266.1095504,6.9,0,399,0,0,0,0,21,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
10-METHYLBEZO(A) PYRENE,063104-32-5,44392,10-methylbenzo[a]pyrene,CC1=C2C3=C4C(=CC2=CC=C1)C=CC5=C4C(=CC=C5)C=C3,"InChI=1S/C21H14/c1-13-4-2-7-16-12-17-9-8-14-5-3-6-15-10-11-18(19(13)16)21(17)20(14)15/h2-12H,1H3",COOUMHVNORGIOH-UHFFFAOYSA-N,C21H14,266.3,266.1095504,6.6,0,399,0,0,0,0,21,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
8-METHYLBENZO(A) PYRENE,063041-76-9,44367,8-methylbenzo[a]pyrene,CC1=CC2=C(C=C1)C3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3,"InChI=1S/C21H14/c1-13-5-9-18-17(11-13)12-16-7-6-14-3-2-4-15-8-10-19(18)21(16)20(14)15/h2-12H,1H3",DYXXRXZXTKRLFX-UHFFFAOYSA-N,C21H14,266.3,266.1095504,7,0,399,0,0,0,0,21,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZO(A) PYRENE-D12,063466-71-7,12202235,"1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriobenzo[a]pyrene",[2H]C1=C(C(=C2C3=C4C(=C(C2=C1[2H])[2H])C(=C(C5=C4C(=C(C(=C5[2H])[2H])[2H])C(=C3[2H])[2H])[2H])[2H])[2H])[2H],"InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D",FMMWHPNWAFZXNH-AQZSQYOVSA-N,C20H12,264.4,264.1692213,6,0,372,0,0,0,0,20,,,1,0,0,0,0,1,1,0,0,0,1,0,0,1,0,0,0,1,0,0
6-NITROBENZO[A]PYRENE,063041-90-7,44374,6-nitrobenzo[a]pyrene,C1=CC=C2C(=C1)C3=C4C(=C2[N+](=O)[O-])C=CC5=CC=CC(=C54)C=C3,InChI=1S/C20H11NO2/c22-21(23)20-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(20)19(15)18(12)13/h1-11H,NMMAFYSZGOFZCM-UHFFFAOYSA-N,C20H11NO2,297.3,297.0789786,6.6,45.8,487,0,0,2,0,23,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENAMINE, N-(3-CHLOROPHENYL)-",005447-28-9,79528,N-(3-chlorophenyl)naphthalen-2-amine,C1=CC=C2C=C(C=CC2=C1)NC3=CC(=CC=C3)Cl,"InChI=1S/C16H12ClN/c17-14-6-3-7-15(11-14)18-16-9-8-12-4-1-2-5-13(12)10-16/h1-11,18H",XEYHIIBYEOWKLL-UHFFFAOYSA-N,C16H12ClN,253.72,253.0658271,5.7,12,268,0,1,1,2,18,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 4-(2-NAPHTHALENYLAMINO)-",000093-45-8,7141,4-(naphthalen-2-ylamino)phenol,C1=CC=C2C=C(C=CC2=C1)NC3=CC=C(C=C3)O,"InChI=1S/C16H13NO/c18-16-9-7-14(8-10-16)17-15-6-5-12-3-1-2-4-13(12)11-15/h1-11,17-18H",RACMGQBQYYWANW-UHFFFAOYSA-N,C16H13NO,235.28,235.099714,4.2,32.3,260,0,2,2,2,18,,,0,1,1,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(P-TOLUIDINO)NAPHTHALENE-6-SULFONIC ACID SODIUM,053313-85-2,23681042,sodium 6-(4-methylanilino)naphthalene-2-sulfonate,CC1=CC=C(C=C1)NC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)[O-].[Na+],"InChI=1S/C17H15NO3S.Na/c1-12-2-6-15(7-3-12)18-16-8-4-14-11-17(22(19,20)21)9-5-13(14)10-16;/h2-11,18H,1H3,(H,19,20,21);/q;+1/p-1",QZZGQOXRGFDEJP-UHFFFAOYSA-M,C17H14NNaO3S,335.4,335.0592088,,77.6,471,0,1,4,3,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-PHENYL-BETA-NAPHTHYLAMINE,000135-88-6,8679,N-phenylnaphthalen-2-amine,C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C=C2,"InChI=1S/C16H13N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-12,17H",KEQFTVQCIQJIQW-UHFFFAOYSA-N,C16H13N,219.28,219.1047994,5.1,12,232,0,1,1,2,17,,"743 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"2-NAPHTHALENESULFONIC ACID, 4-HYDROXY-7-(PHENYLAMINO)-",000119-40-4,67065,7-anilino-4-hydroxynaphthalene-2-sulfonic acid,C1=CC=C(C=C1)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O,"InChI=1S/C16H13NO4S/c18-16-10-14(22(19,20)21)9-11-8-13(6-7-15(11)16)17-12-4-2-1-3-5-12/h1-10,17-18H,(H,19,20,21)",YGNDWDUEMICDLW-UHFFFAOYSA-N,C16H13NO4S,315.3,315.0565291,1.4,95,469,0,3,5,3,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-NAPHTHALENAMINE, N-PHENYL-AR-(1,1,3,3-TETRAMETHYLBUTYL)-",068259-36-9,121494093,"N-phenyl-7-(2,4,4-trimethylpentan-2-yl)naphthalen-2-amine",CC(C)(C)CC(C)(C)C1=CC2=C(C=C1)C=CC(=C2)NC3=CC=CC=C3,"InChI=1S/C24H29N/c1-23(2,3)17-24(4,5)20-13-11-18-12-14-22(16-19(18)15-20)25-21-9-7-6-8-10-21/h6-16,25H,17H2,1-5H3",WMLKTLDRCSEWQL-UHFFFAOYSA-N,C24H29N,331.5,331.2299999,8.1,12,412,0,1,1,5,25,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENESULFONIC ACID, 6-[(4-METHYLPHENYL)AMINO]-",007724-15-4,82178,6-(4-methylanilino)naphthalene-2-sulfonic acid,CC1=CC=C(C=C1)NC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)O,"InChI=1S/C17H15NO3S/c1-12-2-6-15(7-3-12)18-16-8-4-14-11-17(22(19,20)21)9-5-13(14)10-16/h2-11,18H,1H3,(H,19,20,21)",VTRBOZNMGVDGHY-UHFFFAOYSA-N,C17H15NO3S,313.4,313.0772645,3.8,74.8,465,0,2,4,3,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-ISOBENZOFURANDIONE, 3A,4,7,7A-TETRAHYDRO-5-(4-METHYL-3-PENTENYL)-",029811-04-9,122486,"5-(4-methylpent-3-enyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione",CC(=CCCC1=CCC2C(C1)C(=O)OC2=O)C,"InChI=1S/C14H18O3/c1-9(2)4-3-5-10-6-7-11-12(8-10)14(16)17-13(11)15/h4,6,11-12H,3,5,7-8H2,1-2H3",USHLVOCVVSTOQO-UHFFFAOYSA-N,C14H18O3,234.29,234.1255944,2.5,43.4,400,0,0,3,3,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-ISOBENZOFURANDIONE, 3A,4,7,7A-TETRAHYDRO-, CIS-",000935-79-5,98495,"(3aR,7aS)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione",C1C=CC[C@H]2[C@@H]1C(=O)OC2=O,"InChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-2,5-6H,3-4H2/t5-,6+",KMOUUZVZFBCRAM-OLQVQODUSA-N,C8H8O3,152.15,152.0473441,0.8,43.4,218,0,0,3,0,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,1,0,0
"1,3-ISOBENZOFURANDIONE, 3A,4,7,7A-TETRAHYDRO-5-METHYL-, CIS-",001694-82-2,11953727,"(3aR,7aS)-5-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione",CC1=CC[C@H]2[C@@H](C1)C(=O)OC2=O,"InChI=1S/C9H10O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2,6-7H,3-4H2,1H3/t6-,7+/m0/s1",OEMSKMUAMXLNKL-NKWVEPMBSA-N,C9H10O3,166.17,166.0629942,0.7,43.4,277,0,0,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
"1,3-ISOBENZOFURANDIONE, 3A,4,7,7A-TETRAHYDRO-5-METHYL-",003425-89-6,98496,"5-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione",CC1=CCC2C(C1)C(=O)OC2=O,"InChI=1S/C9H10O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2,6-7H,3-4H2,1H3",OEMSKMUAMXLNKL-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,0.7,43.4,277,0,0,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
"1,3-ISOBENZOFURANDIONE, 3A,4,7,7A-TETRAHYDRO-4-METHYL-",005333-84-6,95332,"4-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione",CC1C=CCC2C1C(=O)OC2=O,"InChI=1S/C9H10O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h2-3,5-7H,4H2,1H3",XPEKVUUBSDFMDR-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.1,43.4,267,0,0,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
"1,3-ISOBENZOFURANDIONE, 3A,4,7,7A-TETRAHYDROMETHYL-",026590-20-5,198243,"7a-methyl-4,7-dihydro-3aH-2-benzofuran-1,3-dione",CC12CC=CCC1C(=O)OC2=O,"InChI=1S/C9H10O3/c1-9-5-3-2-4-6(9)7(10)12-8(9)11/h2-3,6H,4-5H2,1H3",SOOZEQGBHHIHEF-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.1,43.4,279,0,0,3,0,12,350 °C,124 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
TETRAHYDROPHTHALIC ANHYDRIDE,000085-43-8,6810,"3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione",C1C=CCC2C1C(=O)OC2=O,"InChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-2,5-6H,3-4H2",KMOUUZVZFBCRAM-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,0.8,43.4,218,0,0,3,0,11,315 °F (157 °C) Open cup,at 6.7kPa: 195 °C,0,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,1,0,0
"1,3-ISOBENZOFURANDIONE, 3A,4,7,7A-TETRAHYDRO-5-METHYL-4-(3-METHYL-2-BUTENYL)-",016726-03-7,85572,"5-methyl-4-(3-methylbut-2-enyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione",CC1=CCC2C(C1CC=C(C)C)C(=O)OC2=O,"InChI=1S/C14H18O3/c1-8(2)4-6-10-9(3)5-7-11-12(10)14(16)17-13(11)15/h4-5,10-12H,6-7H2,1-3H3",KPKSFNJCYGUOHN-UHFFFAOYSA-N,C14H18O3,234.29,234.1255944,2.4,43.4,413,0,0,3,2,17,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, 4-(2-BENZOXAZOLYL)-",020934-81-0,88733,"4-(1,3-benzoxazol-2-yl)aniline",C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)N,"InChI=1S/C13H10N2O/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H,14H2",XZYQBYQGHHGXBC-UHFFFAOYSA-N,C13H10N2O,210.23,210.0793129,2.7,52.1,238,0,1,3,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOXAZOLE, 2-PHENYL-",000833-50-1,70030,"2-phenyl-1,3-benzoxazole",C1=CC=C(C=C1)C2=NC3=CC=CC=C3O2,InChI=1S/C13H9NO/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H,FIISKTXZUZBTRC-UHFFFAOYSA-N,C13H9NO,195.22,195.0684139,3.4,26,213,0,0,2,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOXAZOLE, 2-(4-METHYLPHENYL)-",000835-71-2,70039,"2-(4-methylphenyl)-1,3-benzoxazole",CC1=CC=C(C=C1)C2=NC3=CC=CC=C3O2,"InChI=1S/C14H11NO/c1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14/h2-9H,1H3",UTMZWCTVPHAOJZ-UHFFFAOYSA-N,C14H11NO,209.24,209.084064,3.8,26,235,0,0,2,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzoxazole, 2-(p-chlorophenyl)-",1141-35-1,14355,"2-(4-chlorophenyl)-1,3-benzoxazole",C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)Cl,InChI=1S/C13H8ClNO/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H,NTMAGNRMERGORC-UHFFFAOYSA-N,C13H8ClNO,229.66,229.0294416,4.1,26,240,0,0,2,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"5-Benzoxazoleacetic acid, 2-(4-chlorophenyl)-alpha-methyl-",51234-28-7,39941,"2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoic acid",CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)Cl)C(=O)O,"InChI=1S/C16H12ClNO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)",MITFXPHMIHQXPI-UHFFFAOYSA-N,C16H12ClNO3,301.72,301.0505709,4.1,63.3,384,0,1,4,3,21,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Benzoxazoleacetic acid, 2-phenyl-",60723-67-3,43420,"2-(2-phenyl-1,3-benzoxazol-4-yl)acetic acid",C1=CC=C(C=C1)C2=NC3=C(C=CC=C3O2)CC(=O)O,"InChI=1S/C15H11NO3/c17-13(18)9-11-7-4-8-12-14(11)16-15(19-12)10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)",RNANQWCCWFQRMM-UHFFFAOYSA-N,C15H11NO3,253.25,253.0738932,2.9,63.3,327,0,1,4,3,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Benzoxazolol, 7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-",524684-52-4,656954,"7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol",C=CC1=C2C(=CC(=C1)O)N=C(O2)C3=CC(=C(C=C3)O)F,"InChI=1S/C15H10FNO3/c1-2-8-5-10(18)7-12-14(8)20-15(17-12)9-3-4-13(19)11(16)6-9/h2-7,18-19H,1H2",MQIMZDXIAHJKQP-UHFFFAOYSA-N,C15H10FNO3,271.24,271.0644713,3.6,66.5,367,0,2,5,2,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ULTRAMARK 1621,105809-15-2,44119860,"2,2,4,4,6,6-hexakis(deuteriomethyl)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene",[2H]CP1(=NP(=NP(=N1)(C[2H])C[2H])(C[2H])C[2H])C[2H],"InChI=1S/C6H18N3P3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h1-6H3/i1D,2D,3D,4D,5D,6D",DEBZEVJNWCNATM-MZWXYZOWSA-N,C6H18N3P3,231.19,231.1090191,0.6,37.1,252,0,0,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEXAMETHOXYPHOSPHINE [CYCLO-TRIS(DIMETHOXYPHOSPHONITRILE)],000957-13-1,136772,"2,2,4,4,6,6-hexamethoxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene",COP1(=NP(=NP(=N1)(OC)OC)(OC)OC)OC,"InChI=1S/C6H18N3O6P3/c1-10-16(11-2)7-17(12-3,13-4)9-18(8-16,14-5)15-6/h1-6H3",CNQBXJDCTHCEFG-UHFFFAOYSA-N,C6H18N3O6P3,321.15,321.0408463,0.9,92.5,334,0,0,9,6,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEXAKIS(2,2-DIFLUOROETHOXY)PHOSPHAZINE",186817-57-2,44717242,"2,2,4,4,6,6-hexakis(2,2-difluoroethoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene",C(C(F)F)OP1(=NP(=NP(=N1)(OCC(F)F)OCC(F)F)(OCC(F)F)OCC(F)F)OCC(F)F,"InChI=1S/C12H18F12N3O6P3/c13-7(14)1-28-34(29-2-8(15)16)25-35(30-3-9(17)18,31-4-10(19)20)27-36(26-34,32-5-11(21)22)33-6-12(23)24/h7-12H,1-6H2",ZENPVEFDWIHAJJ-UHFFFAOYSA-N,C12H18F12N3O6P3,621.19,621.0216842,6,92.5,645,0,0,21,18,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHOSPHONITRILIC CHLORIDE TRIMER,000940-71-6,220225,"2,2,4,4,6,6-hexachloro-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene",N1=P(N=P(N=P1(Cl)Cl)(Cl)Cl)(Cl)Cl,"InChI=1S/Cl6N3P3/c1-10(2)7-11(3,4)9-12(5,6)8-10",UBIJTWDKTYCPMQ-UHFFFAOYSA-N,Cl6N3P3,347.7,346.740674,5.3,37.1,252,0,0,3,0,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"SILANE, CHLOROTRIPHENYL-",000076-86-8,6458,chloro(triphenyl)silane,C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)Cl,"InChI=1S/C18H15ClSi/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",MNKYQPOFRKPUAE-UHFFFAOYSA-N,C18H15ClSi,294.8,294.0631547,,0,240,0,0,0,3,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"SILANE, FLUOROTRIPHENYL-",000379-50-0,67837,fluoro(triphenyl)silane,C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)F,"InChI=1S/C18H15FSi/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",UBGXLEFOIVWVRP-UHFFFAOYSA-N,C18H15FSi,278.4,278.0927052,,0,240,0,0,1,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TRIPHENYLSILANE,000789-25-3,69922,triphenylsilane,C1=CC=C(C=C1)[SiH](C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C18H16Si/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H",AKQNYQDSIDKVJZ-UHFFFAOYSA-N,C18H16Si,260.4,260.102127,,0,202,0,0,0,3,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(TRIPHENYLSILYL) ACETYLENE,006229-00-1,642601,ethynyl(triphenyl)silane,C#C[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C20H16Si/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h1,3-17H",WADKYPSVXRWORK-UHFFFAOYSA-N,C20H16Si,284.4,284.102127,,0,313,0,0,0,4,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SILANE, ETHENYLTRIPHENYL-",018666-68-7,87747,ethenyl(triphenyl)silane,C=C[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C20H18Si/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17H,1H2",OVOIHGSHJGMSMZ-UHFFFAOYSA-N,C20H18Si,286.4,286.1177771,,0,271,0,0,0,4,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIPHENYLSILANOL,000791-31-1,69925,hydroxy(triphenyl)silane,C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)O,"InChI=1S/C18H16OSi/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H",NLSXASIDNWDYMI-UHFFFAOYSA-N,C18H16OSi,276.4,276.0970417,,20.2,240,0,1,1,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIPHENYLETHOXYSILANE,001516-80-9,73695,ethoxy(triphenyl)silane,CCO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C20H20OSi/c1-2-21-22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3",ZVJXKUWNRVOUTI-UHFFFAOYSA-N,C20H20OSi,304.5,304.1283418,,9.2,266,0,0,1,5,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((3-(2-chloro-6-fluoro",001847-24-1,23667629,"sodium (2S,5R,6R)-6-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].[Na+],"InChI=1S/C19H17ClFN3O5S.Na/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);/q;+1/p-1/t13-,14+,17-;/m1./s1",OTEANHMVDHZOPB-SLINCCQESA-M,C19H16ClFN3NaO5S,475.9,475.0380919,,141,764,0,1,8,4,31,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-, (2S,5R,6R)-",3116-76-5,18381,"(2S,5R,6R)-6-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O,"InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1",YFAGHNZHGGCZAX-JKIFEVAISA-N,C19H17Cl2N3O5S,470.3,469.0265972,2.9,138,746,0,2,7,4,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(3-(o-chlorophenyl)-5-methyl-4-isoxazolecarboxamido)-3,3-dimethyl-7-oxo-, sodium salt, monohydrate",7081-44-9,23675743,"sodium;(2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrate",CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].O.[Na+],"InChI=1S/C19H18ClN3O5S.Na.H2O/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;;/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1",KCUWTKOTPIUBRI-VICXVTCVSA-M,C19H19ClN3NaO6S,475.9,475.0580785,,142,728,0,2,8,4,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamido)-3,3-dimethyl-7-oxo-, monosodium salt, monohydrate",13412-64-1,23675786,"sodium;(2S,5R,6R)-6-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrate",CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].O.[Na+],"InChI=1S/C19H17Cl2N3O5S.Na.H2O/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1",SIGZQNJITOWQEF-VICXVTCVSA-M,C19H18Cl2N3NaO6S,510.3,509.0191061,,142,752,0,2,8,4,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
CEFOTAXIME SODIUM,064485-93-4,10695961,"sodium (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)[O-].[Na+],"InChI=1S/C16H17N5O7S2.Na/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8;/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26);/q;+1/p-1/b20-9-;/t10-,14-;/m1./s1",AZZMGZXNTDTSME-JUZDKLSSSA-M,C16H16N5NaO7S2,477.5,477.0388845,,230,839,0,2,12,8,31,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazoly",087239-81-4,6526396,"1-propan-2-yloxycarbonyloxyethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",CC(C)OC(=O)OC(C)OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/C3=CSC(=N3)N)COC,"InChI=1S/C21H27N5O9S2/c1-9(2)33-21(30)35-10(3)34-19(29)15-11(6-31-4)7-36-18-14(17(28)26(15)18)24-16(27)13(25-32-5)12-8-37-20(22)23-12/h8-10,14,18H,6-7H2,1-5H3,(H2,22,23)(H,24,27)/b25-13-/t10?,14-,18-/m1/s1",LTINZAODLRIQIX-FBXRGJNPSA-N,C21H27N5O9S2,557.6,557.1250198,0.6,235,976,0,2,14,13,37,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-(((2-amino-4-thiazolyl)methoxyimino)acetyl)amino)-8-oxo-, (6R-(6alpha,7beta(Z)))-",63527-52-6,5742673,"(6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)O,"InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1",GPRBEKHLDVQUJE-QSWIMTSFSA-N,C16H17N5O7S2,455.5,455.0569403,-1.4,227,833,0,3,12,8,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-8-oxo-, (6R-(6-alpha,7-beta(Z)))-",68401-81-0,6533629,"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=CCS3)C(=O)O,"InChI=1S/C13H13N5O5S2/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22)/b17-7-/t8-,11-/m1/s1",NNULBSISHYWZJU-LLKWHZGFSA-N,C13H13N5O5S2,383.4,383.0358109,0,201,669,0,3,10,5,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(carboxymethoxy)imino)acetylamino)-3-ethenyl-8-oxo-, (6R-(6-alpha,7-beta(Z)))-",79350-37-1,5362065,"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O)O)/C3=CSC(=N3)N)SC1)C(=O)O,"InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1",OKBVVJOGVLARMR-QSWIMTSFSA-N,C16H15N5O7S2,453.5,453.0412902,-0.7,238,861,0,4,12,8,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(methoxymethyl)-8-oxo-, (6R,7R)-",80210-62-4,6335986,"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",COCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)O,"InChI=1S/C15H17N5O6S2/c1-25-3-6-4-27-13-9(12(22)20(13)10(6)14(23)24)18-11(21)8(19-26-2)7-5-28-15(16)17-7/h5,9,13H,3-4H2,1-2H3,(H2,16,17)(H,18,21)(H,23,24)/b19-8-/t9-,13-/m1/s1",WYUSVOMTXWRGEK-HBWVYFAYSA-N,C15H17N5O6S2,427.5,427.0620256,-1.4,210,744,0,3,11,7,28,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazoly",091832-40-5,6915944,"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)N)SC1)C(=O)O,"InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1",RTXOFQZKPXMALH-GHXIOONMSA-N,C14H13N5O5S2,395.4,395.0358109,0,212,739,0,4,10,5,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazoly",068401-82-1,23663938,"sodium (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=CCS3)C(=O)[O-].[Na+],"InChI=1S/C13H13N5O5S2.Na/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18;/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22);/q;+1/p-1/b17-7-;/t8-,11-;/m1./s1",ADLFUPFRVXCDMO-LIGXYSTNSA-M,C13H12N5NaO5S2,405.4,405.0177551,,204,675,0,2,10,5,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(-)-EPICATECHIN,000490-46-0,72276,"(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol",C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1",PFTAWBLQPZVEMU-UKRRQHHQSA-N,C15H14O6,290.27,290.0790382,0.4,110,364,0,5,6,1,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(2R,3S)-2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-3,5,7-TRIOL",000154-23-4,9064,"(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol",C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1",PFTAWBLQPZVEMU-DZGCQCFKSA-N,C15H14O6,290.27,290.0790382,0.4,110,364,0,5,6,1,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(2S-trans)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol",018829-70-4,73160,"(2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol",C1[C@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m1/s1",PFTAWBLQPZVEMU-HIFRSBDPSA-N,C15H14O6,290.27,290.0790382,0.4,110,364,0,5,6,1,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(-)-Epigallocatechin,000970-74-1,72277,"(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol",C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1",XMOCLSLCDHWDHP-IUODEOHRSA-N,C15H14O7,306.27,306.0739528,0,131,380,0,6,7,1,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R,3S)-",970-73-0,65084,"(2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol",C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1",XMOCLSLCDHWDHP-SWLSCSKDSA-N,C15H14O7,306.27,306.0739528,0,131,380,0,6,7,1,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2'-Flavanol, 2,4,4,4',7-pentamethyl-",6022-36-2,97820,"5-methyl-2-(2,4,4,7-tetramethyl-3H-chromen-2-yl)phenol",CC1=CC(=C(C=C1)C2(CC(C3=C(O2)C=C(C=C3)C)(C)C)C)O,"InChI=1S/C20H24O2/c1-13-6-8-15(17(21)10-13)20(5)12-19(3,4)16-9-7-14(2)11-18(16)22-20/h6-11,21H,12H2,1-5H3",MXPGQUVVLMPLEC-UHFFFAOYSA-N,C20H24O2,296.4,296.17763,5.3,29.5,405,0,1,2,1,22,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Catechins, from Areca nut",,1203,"2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol",C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",PFTAWBLQPZVEMU-UHFFFAOYSA-N,C15H14O6,290.27,290.0790382,0.4,110,364,0,5,6,1,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-PHENYLCYCLOPENTANECARBOXYLIC ACID,000077-55-4,66167,1-phenylcyclopentane-1-carboxylic acid,C1CCC(C1)(C2=CC=CC=C2)C(=O)O,"InChI=1S/C12H14O2/c13-11(14)12(8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,13,14)",RHPCYZLXNNRRMB-UHFFFAOYSA-N,C12H14O2,190.24,190.0993797,2.8,37.3,210,0,1,2,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclopentanecarboxamide, 1-phenyl-",5296-89-9,97606,1-phenylcyclopentane-1-carboxamide,C1CCC(C1)(C2=CC=CC=C2)C(=O)N,"InChI=1S/C12H15NO/c13-11(14)12(8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,13,14)",YVYGTOKASGORSO-UHFFFAOYSA-N,C12H15NO,189.25,189.1153641,2.2,43.1,212,0,1,1,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopentanamine, 3-phenyl-, hydrochloride",56740-41-1,3044077,3-phenylcyclopentan-1-amine;hydrochloride,C1CC(CC1C2=CC=CC=C2)N.Cl,"InChI=1S/C11H15N.ClH/c12-11-7-6-10(8-11)9-4-2-1-3-5-9;/h1-5,10-11H,6-8,12H2;1H",VDYUPMITEAILSZ-UHFFFAOYSA-N,C11H16ClN,197.7,197.0971272,,26,138,0,2,1,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclopentanemethanol, 1-phenyl-",59115-90-1,123544,(1-phenylcyclopentyl)methanol,C1CCC(C1)(CO)C2=CC=CC=C2,"InChI=1S/C12H16O/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,8-10H2",WJMWSPUOZRYMJD-UHFFFAOYSA-N,C12H16O,176.25,176.1201151,2.9,20.2,153,0,1,1,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclopentanecarboxamide, N-methyl-1-phenyl-",101932-01-8,282489,N-methyl-1-phenylcyclopentane-1-carboxamide,CNC(=O)C1(CCCC1)C2=CC=CC=C2,"InChI=1S/C13H17NO/c1-14-12(15)13(9-5-6-10-13)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3,(H,14,15)",WVSDQRXMAMFRGL-UHFFFAOYSA-N,C13H17NO,203.28,203.1310142,2.6,29.1,225,0,1,1,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclopentanecarboxylic acid, 1-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride",125-85-9,67173,2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride,CCN(CC)CCOC(=O)C1(CCCC1)C2=CC=CC=C2.Cl,"InChI=1S/C18H27NO2.ClH/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16;/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3;1H",MUPNXGNOIBYHSG-UHFFFAOYSA-N,C18H28ClNO2,325.9,325.1808568,,29.5,313,0,1,3,8,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopentanecarboxylic acid, 1-phenyl-, 2-(2-(diethylamino)ethoxy)ethyl ester, citrate (1:1)",23142-01-0,90010,"2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid",CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,"InChI=1S/C20H31NO3.C6H8O7/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",AKJDEXBCRLOVTH-UHFFFAOYSA-N,C26H39NO10,525.6,525.2573964,,171,583,0,4,11,16,37,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ARGIPRESSIN,000113-79-1,644077,"(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide",C1C[C@H](N(C1)C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N,"InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1",KBZOIRJILGZLEJ-LGYYRGKSSA-N,C46H65N15O12S2,1084.2,1083.437855,-4.8,515,2070,0,14,16,19,75,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Vasopressin, N-(N-(N-glycylglycyl)glycyl)-8-L-lysine-",14636-12-5,72081,"(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide",C1C[C@H](N(C1)C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N,"InChI=1S/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1",BENFXAYNYRLAIU-QSVFAHTRSA-N,C52H74N16O15S2,1227.4,1226.496098,-5.8,563,2380,0,16,19,25,85,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Vasopressin, 1-(3-mercaptopropanoic acid)-8-D-arginine-, monoacetate (salt), trihydrate",62357-86-2,46783812,"acetic acid;(2S)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide;trihydrate",CC(=O)O.C1C[C@H](N(C1)C(=O)[C@@H]2CSSCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N.O.O.O,"InChI=1S/C46H64N14O12S2.C2H4O2.3H2O/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25;1-2(3)4;;;/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52);1H3,(H,3,4);3*1H2/t28-,29+,30+,31+,32+,33+,34+;;;;/m1..../s1",YNKFCNRZZPFMEX-XHPDKPNGSA-N,C48H74N14O17S2,1183.3,1182.479779,,529,2070,0,17,20,19,81,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,1,1,0,0
"Vasopressin, 1-(3-mercapto-3-methylbutanoic acid)-2-(O-methyl-L-tyrosine)-8-L-arginine-",67269-08-3,119517,"N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-methoxyphenyl)methyl]-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide",CC1(CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSS1)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)OC)C,"InChI=1S/C49H70N14O12S2/c1-49(2)24-40(67)57-32(22-28-13-15-29(75-3)16-14-28)43(70)60-33(21-27-9-5-4-6-10-27)44(71)58-31(17-18-37(50)64)42(69)61-34(23-38(51)65)45(72)62-35(26-76-77-49)47(74)63-20-8-12-36(63)46(73)59-30(11-7-19-55-48(53)54)41(68)56-25-39(52)66/h4-6,9-10,13-16,30-36H,7-8,11-12,17-26H2,1-3H3,(H2,50,64)(H2,51,65)(H2,52,66)(H,56,68)(H,57,67)(H,58,71)(H,59,73)(H,60,70)(H,61,69)(H,62,72)(H4,53,54,55)",HNOGCDKPALYUIG-UHFFFAOYSA-N,C49H70N14O12S2,1111.3,1110.473906,-3.1,478,2140,0,12,15,20,77,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propiophenone, 4'-butoxy-3-piperidino-, hydrochloride",536-43-6,68304,1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride,CCCCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2.Cl,"InChI=1S/C18H27NO2.ClH/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19;/h7-10H,2-6,11-15H2,1H3;1H",KNZADIMHVBBPOA-UHFFFAOYSA-N,C18H28ClNO2,325.9,325.1808568,,29.5,292,0,1,3,8,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propiophenone, 2,4'-dimethyl-3-piperidino-",728-88-1,5511,2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one,CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2,"InChI=1S/C16H23NO/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3",FSKFPVLPFLJRQB-UHFFFAOYSA-N,C16H23NO,245.36,245.1779644,3.4,20.3,262,0,0,2,4,18,,,1,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Propiophenone, 4'-methoxy-3-piperidino-, hydrochloride",1026-88-6,70563,1-(4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride,COC1=CC=C(C=C1)C(=O)CCN2CCCCC2.Cl,"InChI=1S/C15H21NO2.ClH/c1-18-14-7-5-13(6-8-14)15(17)9-12-16-10-3-2-4-11-16;/h5-8H,2-4,9-12H2,1H3;1H",CCGBIMUGLRDVOC-UHFFFAOYSA-N,C15H22ClNO2,283.79,283.1339066,,29.5,253,0,1,3,5,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propiophenone, 4'-fluoro-3-piperidino-, hydrochloride",1828-12-2,200374,1-(4-fluorophenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride,C1CCN(CC1)CCC(=O)C2=CC=C(C=C2)F.Cl,"InChI=1S/C14H18FNO.ClH/c15-13-6-4-12(5-7-13)14(17)8-11-16-9-2-1-3-10-16;/h4-7H,1-3,8-11H2;1H",IOEPRJMKWRLAHK-UHFFFAOYSA-N,C14H19ClFNO,271.76,271.1139201,,20.3,243,0,1,3,4,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propiophenone, 2,4'-dimethyl-3-piperidino-, hydrochloride",3644-61-9,92965,2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride,CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2.Cl,"InChI=1S/C16H23NO.ClH/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17;/h6-9,14H,3-5,10-12H2,1-2H3;1H",ZBUVYROEHQQAKL-UHFFFAOYSA-N,C16H24ClNO,281.82,281.1546421,,20.3,262,0,1,2,4,19,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Propanone, 1-(4-chlorophenyl)-3-(1-piperidinyl)-, hydrochloride",5/5/50,199915,1-(4-chlorophenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride,C1CCN(CC1)CCC(=O)C2=CC=C(C=C2)Cl.Cl,"InChI=1S/C14H18ClNO.ClH/c15-13-6-4-12(5-7-13)14(17)8-11-16-9-2-1-3-10-16;/h4-7H,1-3,8-11H2;1H",QIHSXEWCSJYSTH-UHFFFAOYSA-N,C14H19Cl2NO,288.2,287.0843696,,20.3,243,0,1,2,4,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propiophenone, 4'-ethyl-2-methyl-3-piperidino-, hydrochloride",56839-43-1,123698,1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one;hydrochloride,CCC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2.Cl,"InChI=1S/C17H25NO.ClH/c1-3-15-7-9-16(10-8-15)17(19)14(2)13-18-11-5-4-6-12-18;/h7-10,14H,3-6,11-13H2,1-2H3;1H",GTAXGNCCEYZRII-UHFFFAOYSA-N,C17H26ClNO,295.8,295.1702921,,20.3,275,0,1,2,5,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propiophenone, 3-piperidino-, hydrochloride",886-06-6,70171,1-phenyl-3-piperidin-1-ylpropan-1-one;hydrochloride,C1CCN(CC1)CCC(=O)C2=CC=CC=C2.Cl,"InChI=1S/C14H19NO.ClH/c16-14(13-7-3-1-4-8-13)9-12-15-10-5-2-6-11-15;/h1,3-4,7-8H,2,5-6,9-12H2;1H",XIROGEVVNHGHFZ-UHFFFAOYSA-N,C14H20ClNO,253.77,253.123342,,20.3,215,0,1,2,4,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BISAZOBIPHENYL DYE,002429-73-4,17057,"trisodium;5-amino-3-[[4-[4-[(7-amino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate",C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C=C4C=CC(=CC4=C3O)N)S(=O)(=O)[O-])N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])N)O.[Na+].[Na+].[Na+],"InChI=1S/C32H24N6O11S3.3Na/c33-20-6-1-18-12-26(51(44,45)46)29(31(39)24(18)14-20)37-35-21-7-2-16(3-8-21)17-4-9-22(10-5-17)36-38-30-27(52(47,48)49)13-19-11-23(50(41,42)43)15-25(34)28(19)32(30)40;;;/h1-15,39-40H,33-34H2,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3",FKVXIGHJGBQFIH-UHFFFAOYSA-K,C32H21N6Na3O11S3,830.7,830.0123519,,339,1590,0,4,17,5,55,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
C.I. DIRECT RED 10,002427-70-1,134541,disodium;4-amino-3-[[4-[4-[(1-hydroxy-4-sulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonate,C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C32H23N5O7S2.2Na/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)36-34-21-13-9-19(10-14-21)20-11-15-22(16-12-20)35-37-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)38;;/h1-18,38H,33H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",ZWYHVBGOBINPHN-UHFFFAOYSA-L,C32H21N5Na2O7S2,697.7,697.0677789,,227,1280,0,2,12,5,48,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
BISAZOBIPHENYL DYE,002150-54-1,135565967,"tetrasodium;3-[[4-[4-[(1,8-dihydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonate",CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])O)O)C)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])O)O.[Na+].[Na+].[Na+].[Na+],"InChI=1S/C34H26N4O16S4.4Na/c1-15-7-17(3-5-23(15)35-37-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-25(39)29(19)33(31)41)18-4-6-24(16(2)8-18)36-38-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-26(40)30(20)34(32)42;;;;/h3-14,39-42H,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4",JUEBRKPPGMULSU-UHFFFAOYSA-J,C34H22N4Na4O16S4,962.8,961.9504424,,393,1790,0,4,20,5,62,,,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
BISAZOBIPHENYL DYE,006449-35-0,22953,disodium;7-amino-4-hydroxy-3-[[4-[4-[(1-hydroxy-4-sulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-2-sulfonate,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3O)N)S(=O)(=O)[O-])OC)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])O.[Na+].[Na+],"InChI=1S/C34H27N5O10S2.2Na/c1-48-28-14-18(7-11-25(28)36-38-27-17-30(50(42,43)44)23-5-3-4-6-24(23)33(27)40)19-8-12-26(29(15-19)49-2)37-39-32-31(51(45,46)47)16-20-13-21(35)9-10-22(20)34(32)41;;/h3-17,40-41H,35H2,1-2H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2",PHBXSOKXCTZJBO-UHFFFAOYSA-L,C34H25N5Na2O10S2,773.7,773.0838229,,266,1430,0,3,15,7,53,,,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
BISAZOBIPHENYL DYE,010401-50-0,34237,"tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-hydroxyphenyl]-2-hydroxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate;copper",C1=CC(=C(C=C1C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N)O)O)O)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])N)O.[Na+].[Na+].[Na+].[Na+].[Cu].[Cu],"InChI=1S/C32H24N6O16S4.2Cu.4Na/c33-19-11-17(55(43,44)45)5-15-9-25(57(49,50)51)29(31(41)27(15)19)37-35-21-3-1-13(7-23(21)39)14-2-4-22(24(40)8-14)36-38-30-26(58(52,53)54)10-16-6-18(56(46,47)48)12-20(34)28(16)32(30)42;;;;;;/h1-12,39-42H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;;;/q;;;4*+1/p-4",UIECJCJNZREJPJ-UHFFFAOYSA-J,C32H20Cu2N6Na4O16S4,1091.9,1089.800135,,445,1810,0,6,22,1,64,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,7-Naphthalenedisulfonic acid, 3,3'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(4,5-dihydroxy-, tetrasodium salt",4198-19-0,20174,"tetrasodium;3-[[4-[4-[(1,8-dihydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonate",COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])O)O)OC)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])O)O.[Na+].[Na+].[Na+].[Na+],"InChI=1S/C34H26N4O18S4.4Na/c1-55-25-9-15(3-5-21(25)35-37-31-27(59(49,50)51)11-17-7-19(57(43,44)45)13-23(39)29(17)33(31)41)16-4-6-22(26(10-16)56-2)36-38-32-28(60(52,53)54)12-18-8-20(58(46,47)48)14-24(40)30(18)34(32)42;;;;/h3-14,39-42H,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4",JRSUTLDDNLWTTA-UHFFFAOYSA-J,C34H22N4Na4O18S4,994.8,993.9402717,,411,1820,0,4,22,7,64,,,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
BISAZOBIPHENYL DYE,016143-79-6,161169,"dicopper;tetrasodium;4-amino-6-[[4-[4-[(8-amino-1-oxido-5,7-disulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-5-oxidonaphthalene-1,3-disulfonate",C1=CC(=C(C=C1C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])[O-])N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2].[Cu+2],"InChI=1S/C32H24N6O16S4.2Cu.4Na/c33-29-25(57(49,50)51)11-23(55(43,44)45)15-3-7-19(31(41)27(15)29)37-35-17-5-1-13(9-21(17)39)14-2-6-18(22(40)10-14)36-38-20-8-4-16-24(56(46,47)48)12-26(58(52,53)54)30(34)28(16)32(20)42;;;;;;/h1-12,39-42H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;;;/q;2*+2;4*+1/p-8",RTXWGCFBOYSLIQ-UHFFFAOYSA-F,C32H16Cu2N6Na4O16S4,1087.8,1085.768835,,456,1790,0,2,22,5,64,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
AMARANTH,000915-67-3,13506,"trisodium;3-hydroxy-4-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate",C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+],"InChI=1S/C20H14N2O10S3.3Na/c23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16;;;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3",WLDHEUZGFKACJH-UHFFFAOYSA-K,C20H11N2Na3O10S3,604.5,603.9268909,,242,1080,0,1,12,2,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CHROMIUM, [3-HYDROXY-4-[(2-HYDROXY-1-NAPHTHALENYL)AZO]-7-NITRO-1-NAPHTHALENESU",070236-49-6,136365393,chromium;3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonic acid,C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C=CC(=CC4=C(C=C3O)S(=O)(=O)O)[N+](=O)[O-])O.[Cr],"InChI=1S/C20H13N3O7S.Cr/c24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;/h1-10,24-25H,(H,28,29,30);",UCDLTZDEXAIGRE-UHFFFAOYSA-N,C20H13CrN3O7S,491.4,490.987926,,174,796,0,3,9,3,32,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"1-NAPHTHALENESULFONIC ACID, 3-HYDROXY-4-[(2-HYDROXY-1-NAPHTHALENYL)AZO]-7-NITR",003618-58-4,135484001,sodium 3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate,C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C=CC(=CC4=C(C=C3O)S(=O)(=O)[O-])[N+](=O)[O-])O.[Na+],"InChI=1S/C20H13N3O7S.Na/c24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;/h1-10,24-25H,(H,28,29,30);/q;+1/p-1",DXRWYIKGBIPGAG-UHFFFAOYSA-M,C20H12N3NaO7S,461.4,461.0293652,,177,782,0,2,9,2,32,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,1'-Azonaphthalene",487-10-5,10247,dinaphthalen-1-yldiazene,C1=CC=C2C(=C1)C=CC=C2N=NC3=CC=CC4=CC=CC=C43,InChI=1S/C20H14N2/c1-3-11-17-15(7-1)9-5-13-19(17)21-22-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H,ICIDZHMCYAIUIJ-UHFFFAOYSA-N,C20H14N2,282.3,282.1156985,6.2,24.7,355,0,0,2,2,22,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,6-Naphthalenetrisulfonic acid, 7-hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-,tetrasodium salt",5850-44-2,22112,"tetrasodium;7-hydroxy-8-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-1,3,6-trisulfonate",C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N=NC3=C(C(=CC4=CC(=CC(=C43)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+].[Na+],"InChI=1S/C20H14N2O13S4.4Na/c23-20-17(39(33,34)35)8-10-7-11(36(24,25)26)9-16(38(30,31)32)18(10)19(20)22-21-14-5-6-15(37(27,28)29)13-4-2-1-3-12(13)14;;;;/h1-9,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32)(H,33,34,35);;;;/q;4*+1/p-4",FUSRXDHHILMBIG-UHFFFAOYSA-J,C20H10N2Na4O13S4,706.5,705.8656502,,307,1320,0,1,15,2,43,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 4-NONYL-2,6-BIS(1-PHENYLETHYL)-",015860-96-5,85922,"4-nonyl-2,6-bis(1-phenylethyl)phenol",CCCCCCCCCC1=CC(=C(C(=C1)C(C)C2=CC=CC=C2)O)C(C)C3=CC=CC=C3,"InChI=1S/C31H40O/c1-4-5-6-7-8-9-12-17-26-22-29(24(2)27-18-13-10-14-19-27)31(32)30(23-26)25(3)28-20-15-11-16-21-28/h10-11,13-16,18-25,32H,4-9,12,17H2,1-3H3",WOSYWGAMXWGRBI-UHFFFAOYSA-N,C31H40O,428.6,428.3079159,10.7,20.2,441,0,1,1,12,32,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0
"PHENOL, 2,6-BIS[(2-HYDROXY-5-METHYLPHENYL)METHYL]-4-METHYL-",001620-68-4,74181,"2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol",CC1=CC(=C(C=C1)O)CC2=CC(=CC(=C2O)CC3=C(C=CC(=C3)C)O)C,"InChI=1S/C23H24O3/c1-14-4-6-21(24)17(8-14)12-19-10-16(3)11-20(23(19)26)13-18-9-15(2)5-7-22(18)25/h4-11,24-26H,12-13H2,1-3H3",MAQOZOILPAMFSW-UHFFFAOYSA-N,C23H24O3,348.4,348.1725446,5.8,60.7,401,0,3,3,4,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHENOL, 2,6-BIS[[3-(1,1-DIMETHYLETHYL)-2-HYDROXY-5-METHYLPHENYL]METHYL]-4-METH",000090-68-6,66662,"2,6-bis[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol",CC1=CC(=C(C(=C1)CC2=C(C(=CC(=C2)C)C(C)(C)C)O)O)CC3=C(C(=CC(=C3)C)C(C)(C)C)O,"InChI=1S/C31H40O3/c1-18-10-21(16-23-12-19(2)14-25(28(23)33)30(4,5)6)27(32)22(11-18)17-24-13-20(3)15-26(29(24)34)31(7,8)9/h10-15,32-34H,16-17H2,1-9H3",LKALLEFLBKHPTQ-UHFFFAOYSA-N,C31H40O3,460.6,460.2977451,9.1,60.7,592,0,3,3,6,34,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamine, 4,4'-(1,3-phenylenebis(1-methylethylidene))bis-",2687-27-6,3292101,4-[2-[3-[2-(4-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline,CC(C)(C1=CC=C(C=C1)N)C2=CC(=CC=C2)C(C)(C)C3=CC=C(C=C3)N,"InChI=1S/C24H28N2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h5-16H,25-26H2,1-4H3",KWOIWTRRPFHBSI-UHFFFAOYSA-N,C24H28N2,344.5,344.2252489,6.2,52,399,0,2,2,4,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYANIC ACID, 1,3-PHENYLENEBIS[(1-METHYLETHYLIDENE)-4,1-PHENYLENE] ESTER",127667-44-1,18377215,[4-[2-[3-[2-(4-cyanatophenyl)propan-2-yl]phenyl]propan-2-yl]phenyl] cyanate,CC(C)(C1=CC=C(C=C1)OC#N)C2=CC(=CC=C2)C(C)(C)C3=CC=C(C=C3)OC#N,"InChI=1S/C26H24N2O2/c1-25(2,19-8-12-23(13-9-19)29-17-27)21-6-5-7-22(16-21)26(3,4)20-10-14-24(15-11-20)30-18-28/h5-16H,1-4H3",QODYBLNVIHQJIW-UHFFFAOYSA-N,C26H24N2O2,396.5,396.183778,7.6,66,595,0,0,4,6,30,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,4-BIS(ALPHA, ALPHA-DIMETHYLBENZYL) PHENOL",002772-45-4,76013,"2,4-bis(2-phenylpropan-2-yl)phenol",CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)O)C(C)(C)C3=CC=CC=C3,"InChI=1S/C24H26O/c1-23(2,18-11-7-5-8-12-18)20-15-16-22(25)21(17-20)24(3,4)19-13-9-6-10-14-19/h5-17,25H,1-4H3",FMUYQRFTLHAARI-UHFFFAOYSA-N,C24H26O,330.5,330.1983654,7.2,20.2,412,0,1,1,4,25,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
HYDROXYETHYL CELLULOSE,009004-62-0,4327536,"1-[[3,4,5-tris(2-hydroxypropoxy)-6-[4,5,6-tris(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]propan-2-ol",CC(COCC1C(C(C(C(O1)OC2C(OC(C(C2OCC(C)O)OCC(C)O)OCC(C)O)COCC(C)O)OCC(C)O)OCC(C)O)OCC(C)O)O,"InChI=1S/C36H70O19/c1-19(37)9-45-17-27-29(47-11-21(3)39)31(48-12-22(4)40)34(51-15-25(7)43)36(54-27)55-30-28(18-46-10-20(2)38)53-35(52-16-26(8)44)33(50-14-24(6)42)32(30)49-13-23(5)41/h19-44H,9-18H2,1-8H3",DFJVHKAPIXJTSC-UHFFFAOYSA-N,C36H70O19,806.9,806.45113,-3,263,985,0,8,19,28,55,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N'-DIACETYLCHITOBIOSE",035061-50-8,439544,"N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide",CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NC(=O)C)O)CO)CO)O)O,"InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14-,15?,16+/m1/s1",CDOJPCSDOXYJJF-CBTAGEKQSA-N,C16H28N2O11,424.4,424.1693097,-4.7,207,579,0,8,11,6,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-D-GALACTOPYRANOSYL-D-GLUCOSE,032181-59-2,439271,"N-[(2R,3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide",CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O,"InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13-,14+/m1/s1",KFEUJDWYNGMDBV-LODBTCKLSA-N,C14H25NO11,383.35,383.1427606,-4.7,198,480,0,8,11,5,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-NONYL-Beta-D-MALTOSIDE,,11712472,"(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-nonoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,"InChI=1S/C21H40O11/c1-2-3-4-5-6-7-8-9-29-20-18(28)16(26)19(13(11-23)31-20)32-21-17(27)15(25)14(24)12(10-22)30-21/h12-28H,2-11H2,1H3/t12-,13-,14-,15+,16-,17-,18-,19-,20-,21-/m1/s1",KCCBGPCYGBPHBR-ZESVGKPKSA-N,C21H40O11,468.5,468.2570621,-0.2,179,510,0,7,11,13,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HEPARIN, LITHIUM SALT",009045-22-1,44336410,4-hydroxy-6-[4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-3-methoxy-5-sulfooxyoxane-2-carboxylic acid,COC1C(C(C(OC1C(=O)O)OC2C(OC(C(C2O)NS(=O)(=O)O)OC)COS(=O)(=O)O)OS(=O)(=O)O)O,"InChI=1S/C14H25NO20S3/c1-29-9-7(17)10(35-38(26,27)28)14(34-11(9)12(18)19)33-8-4(3-31-37(23,24)25)32-13(30-2)5(6(8)16)15-36(20,21)22/h4-11,13-17H,3H2,1-2H3,(H,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)",HXSDFQWQRCUQHF-UHFFFAOYSA-N,C14H25NO20S3,623.5,623.0132057,-5.4,343,1120,0,7,21,12,38,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
BROMOPHENYLMAGNESIUM,000100-58-3,66852,magnesium;benzene;bromide,C1=CC=[C-]C=C1.[Mg+2].[Br-],InChI=1S/C6H5.BrH.Mg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q-1;;+2/p-1,NIXOIRLDFIPNLJ-UHFFFAOYSA-M,C6H5BrMg,181.31,179.9425,,0,100,0,0,2,0,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"2,4,6-TRIMETHYLPHENYLMAGNESIUM BROMIDE",002633-66-1,5098599,"magnesium;1,3,5-trimethylbenzene-6-ide;bromide",CC1=CC(=[C-]C(=C1)C)C.[Mg+2].[Br-],"InChI=1S/C9H11.BrH.Mg/c1-7-4-8(2)6-9(3)5-7;;/h4-5H,1-3H3;1H;/q-1;;+2/p-1",JOWQNXIISCPKBK-UHFFFAOYSA-M,C9H11BrMg,223.39,221.98945,,0,190,0,0,2,0,11,,,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
3-[BIS(TRIMETHYLSILYL)AMINO]PHENYLMAGNESIUM CHLORIDE,174484-84-5,6093776,"magnesium;N,N-bis(trimethylsilyl)aniline;chloride",C[Si](C)(C)N(C1=CC=C[C-]=C1)[Si](C)(C)C.[Mg+2].[Cl-],"InChI=1S/C12H22NSi2.ClH.Mg/c1-14(2,3)13(15(4,5)6)12-10-8-7-9-11-12;;/h7-8,10-11H,1-6H3;1H;/q-1;;+2/p-1",YZOSYOXYACDPMN-UHFFFAOYSA-M,C12H22ClMgNSi2,296.24,295.0829722,,3.2,299,0,0,3,3,17,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0
CHLOROPHENYLMAGNESIUM,000100-59-4,7513,magnesium;benzene;chloride,C1=CC=[C-]C=C1.[Mg+2].[Cl-],InChI=1S/C6H5.ClH.Mg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q-1;;+2/p-1,IWCVDCOJSPWGRW-UHFFFAOYSA-M,C6H5ClMg,136.86,135.9930195,,0,100,0,0,2,0,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
BROMO(4-METHYLPHENYL)MAGNESIUM,004294-57-9,3644322,magnesium;methylbenzene;bromide,CC1=CC=[C-]C=C1.[Mg+2].[Br-],"InChI=1S/C7H7.BrH.Mg/c1-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q-1;;+2/p-1",BVUQKCCKUOSAEV-UHFFFAOYSA-M,C7H7BrMg,195.34,193.95815,,0,129,0,0,2,0,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"MAGNESIUM, CHLORO(2-METHYLPHENYL)-",033872-80-9,118563,magnesium;methylbenzene;chloride,CC1=CC=CC=[C-]1.[Mg+2].[Cl-],"InChI=1S/C7H7.ClH.Mg/c1-7-5-3-2-4-6-7;;/h2-5H,1H3;1H;/q-1;;+2/p-1",LQVSLLSEXLZRRH-UHFFFAOYSA-M,C7H7ClMg,150.89,150.0086696,,0,145,0,0,2,0,9,,,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0
M-TOLUALDEHYDE-DNPH,002880-05-9,520393,"N-[(3-methylphenyl)methylideneamino]-2,4-dinitroaniline",CC1=CC(=CC=C1)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C14H12N4O4/c1-10-3-2-4-11(7-10)9-15-16-13-6-5-12(17(19)20)8-14(13)18(21)22/h2-9,16H,1H3",PQBRXQUGVASQBU-UHFFFAOYSA-N,C14H12N4O4,300.27,300.0858549,2.8,116,432,0,1,6,3,22,,,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"O-TOLUALDEHYDE-2,4-DINITROPHENYLHYDRAZONE",001773-44-0,9555686,"N-[(E)-(2-methylphenyl)methylideneamino]-2,4-dinitroaniline",CC1=CC=CC=C1/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C14H12N4O4/c1-10-4-2-3-5-11(10)9-15-16-13-7-6-12(17(19)20)8-14(13)18(21)22/h2-9,16H,1H3/b15-9+",QUIFNJPMGQCNMH-OQLLNIDSSA-N,C14H12N4O4,300.27,300.0858549,2.8,116,432,0,1,6,3,22,,,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, PHENYLHYDRAZONE",000588-64-7,6436752,N-[(E)-benzylideneamino]aniline,C1=CC=C(C=C1)/C=N/NC2=CC=CC=C2,"InChI=1S/C13H12N2/c1-3-7-12(8-4-1)11-14-15-13-9-5-2-6-10-13/h1-11,15H/b14-11+",JGOAZQAXRONCCI-SDNWHVSQSA-N,C13H12N2,196.25,196.1000484,3.5,24.4,189,0,1,2,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZALDEHYDE, (4-NITROPHENYL)HYDRAZONE",003078-09-9,6436771,N-[(E)-benzylideneamino]-4-nitroaniline,C1=CC=C(C=C1)/C=N/NC2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C13H11N3O2/c17-16(18)13-8-6-12(7-9-13)15-14-10-11-4-2-1-3-5-11/h1-10,15H/b14-10+",NOIFWEYOLLHIMW-GXDHUFHOSA-N,C13H11N3O2,241.24,241.0851266,3.4,70.2,287,0,1,4,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoyl chloride, phenylhydrazone",15424-14-3,7290563,(Z)-N-phenylbenzenecarbohydrazonoyl chloride,C1=CC=C(C=C1)/C(=N/NC2=CC=CC=C2)/Cl,"InChI=1S/C13H11ClN2/c14-13(11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h1-10,15H/b16-13-",IUSCIWAUZVKPPY-SSZFMOIBSA-N,C13H11ClN2,230.69,230.0610761,4.6,24.4,228,0,1,2,3,16,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"P-TOLUALDEHYDE-2,4-DINITROLPHENYLHYDRAZONE",002571-00-8,9561795,"N-[(E)-(4-methylphenyl)methylideneamino]-2,4-dinitroaniline",CC1=CC=C(C=C1)/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C14H12N4O4/c1-10-2-4-11(5-3-10)9-15-16-13-7-6-12(17(19)20)8-14(13)18(21)22/h2-9,16H,1H3/b15-9+",KOMHUUXZDFABJZ-OQLLNIDSSA-N,C14H12N4O4,300.27,300.0858549,2.8,116,424,0,1,6,3,22,,,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
BRUCINE HYDRATE,005892-11-5,66713581,"(4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;tetrahydrate",COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC.O.O.O.O,"InChI=1S/C23H26N2O4.4H2O/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;;;;/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;4*1H2/t13-,18-,19-,21-,22-,23+;;;;/m0..../s1",XLXHHXCMBNBDMP-BEYGIVOKSA-N,C23H34N2O8,466.5,466.2315161,,55.2,785,0,4,9,2,33,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
STRYCHNINE,000057-24-9,441071,"(4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one",C1CN2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2[C@@]61C7=CC=CC=C75,"InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1",QMGVPVSNSZLJIA-FVWCLLPLSA-N,C21H22N2O2,334.4,334.1681279,1.9,32.8,689,0,0,3,0,25,,"518 °F at 5 mmHg (EPA, 1998)",1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"STRYCHNIDIN-10-ONE, 2,3-DIMETHOXY-, MONOHYDROCHLORIDE",005786-96-9,111096,"(4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;hydrochloride",COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC.Cl,"InChI=1S/C23H26N2O4.ClH/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;1H/t13-,18-,19-,21-,22-,23+;/m0./s1",LOAGDNZFQUISCJ-SUJBTXFYSA-N,C23H27ClN2O4,430.9,430.165935,,51.2,785,0,1,5,2,30,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
"Strychnine, mononitrate",66-32-0,23616203,"(4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;nitric acid",C1CN2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2[C@@]61C7=CC=CC=C75.[N+](=O)(O)[O-],"InChI=1S/C21H22N2O2.HNO3/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;2-1(3)4/h1-5,13,16-17,19-20H,6-11H2;(H,2,3,4)/t13-,16-,17-,19-,20-,21+;/m0./s1",PCGVPMHGSJFFTI-ZEYGOCRCSA-N,C21H23N3O5,397.4,397.1637708,,98.8,714,0,1,6,0,29,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Strychnine, monohydrochloride",1421-86-9,16219987,"(4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;hydrochloride",C1CN2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2[C@@]61C7=CC=CC=C75.Cl,"InChI=1S/C21H22N2O2.ClH/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;/h1-5,13,16-17,19-20H,6-11H2;1H/t13-,16-,17-,19-,20-,21+;/m0./s1",VLXYTKMPCOQKEM-ZEYGOCRCSA-N,C21H23ClN2O2,370.9,370.1448057,,32.8,689,0,1,3,0,26,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Strychnine, 2-amino-",3215-24-5,631621,"10-amino-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one",C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=C5C=CC(=C7)N,"InChI=1S/C21H23N3O2/c22-12-1-2-15-14(7-12)21-4-5-23-10-11-3-6-26-16-9-18(25)24(15)20(21)19(16)13(11)8-17(21)23/h1-3,7,13,16-17,19-20H,4-6,8-10,22H2",NRGHCWQGTHPFTE-UHFFFAOYSA-N,C21H23N3O2,349.4,349.179027,0.5,58.8,722,0,1,4,0,26,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Glutarimide, 3,3-dimethyl-",1123-40-6,14292,"4,4-dimethylpiperidine-2,6-dione",CC1(CC(=O)NC(=O)C1)C,"InChI=1S/C7H11NO2/c1-7(2)3-5(9)8-6(10)4-7/h3-4H2,1-2H3,(H,8,9,10)",YUJCWMGBRDBPDL-UHFFFAOYSA-N,C7H11NO2,141.17,141.0789786,0.2,46.2,166,0,1,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"3,5-Piperidinedicarbonitrile, 2,6-dioxo-4-ethyl-4-methyl-",1135-62-2,98931,"4-ethyl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile",CCC1(C(C(=O)NC(=O)C1C#N)C#N)C,"InChI=1S/C10H11N3O2/c1-3-10(2)6(4-11)8(14)13-9(15)7(10)5-12/h6-7H,3H2,1-2H3,(H,13,14,15)",ISARNQWKABTJEY-UHFFFAOYSA-N,C10H11N3O2,205.21,205.0851266,0.7,93.8,375,0,1,4,1,15,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Glutarimide, 3-methyl-",25077-26-3,95858,"4-methylpiperidine-2,6-dione",CC1CC(=O)NC(=O)C1,"InChI=1S/C6H9NO2/c1-4-2-5(8)7-6(9)3-4/h4H,2-3H2,1H3,(H,7,8,9)",OTQNZVVDFWNHDO-UHFFFAOYSA-N,C6H9NO2,127.14,127.0633285,-0.2,46.2,137,0,1,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Glutarimide, 3-isopropyl-",,3028438,"4-propan-2-ylpiperidine-2,6-dione",CC(C)C1CC(=O)NC(=O)C1,"InChI=1S/C8H13NO2/c1-5(2)6-3-7(10)9-8(11)4-6/h5-6H,3-4H2,1-2H3,(H,9,10,11)",RJWYDUDQAJWJEZ-UHFFFAOYSA-N,C8H13NO2,155.19,155.0946287,0.6,46.2,171,0,1,2,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"2,6-PIPERIDINEDIONE, 4-ETHYL-4-METHYL-",000064-65-3,2310,"4-ethyl-4-methylpiperidine-2,6-dione",CCC1(CC(=O)NC(=O)C1)C,"InChI=1S/C8H13NO2/c1-3-8(2)4-6(10)9-7(11)5-8/h3-5H2,1-2H3,(H,9,10,11)",ORRZGUBHBVWWOP-UHFFFAOYSA-N,C8H13NO2,155.19,155.0946287,0.7,46.2,182,0,1,2,1,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
GLUTARIMIDE,001121-89-7,70726,"piperidine-2,6-dione",C1CC(=O)NC(=O)C1,"InChI=1S/C5H7NO2/c7-4-2-1-3-5(8)6-4/h1-3H2,(H,6,7,8)",KNCYXPMJDCCGSJ-UHFFFAOYSA-N,C5H7NO2,113.11,113.0476785,-0.7,46.2,116,0,1,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ergoline-8-beta-methanol, 10-methoxy-6-methyl-",35121-60-9,13536793,"[(6aR,9R,10aS)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol",CN1C[C@@H](C[C@]2([C@H]1CC3=CNC4=CC=CC2=C34)OC)CO,"InChI=1S/C17H22N2O2/c1-19-9-11(10-20)7-17(21-2)13-4-3-5-14-16(13)12(8-18-14)6-15(17)19/h3-5,8,11,15,18,20H,6-7,9-10H2,1-2H3/t11-,15-,17+/m1/s1",JGQZSBLQHCTAJF-JGFGOQIWSA-N,C17H22N2O2,286.37,286.1681279,1.4,48.5,404,0,2,3,2,21,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1
"Urea, N,N-diethyl-N'-((8-alpha)-6-methylergolin-8-yl)-",37686-84-3,443951,"3-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea",CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C,"InChI=1S/C20H28N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)/t14-,16+,18+/m0/s1",JOAHPSVPXZTVEP-YXJHDRRASA-N,C20H28N4O,340.5,340.2263115,2.5,51.4,494,0,2,2,3,25,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, N,N-diethyl-N'-((8-alpha)-6-methylergolin-8-yl)-, (Z)-2-butenedioate (1:1)",37686-85-4,20839521,"3-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea;(Z)-but-2-enedioic acid",CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C20H28N4O.C4H4O4/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14;5-3(6)1-2-4(7)8/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,16+,18+;/m0./s1",SORAZNWVQFKAFD-IBIFCFAISA-N,C24H32N4O5,456.5,456.2372701,,126,613,0,4,6,5,33,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Ergoline, 8-((methylthio)methyl)-6-propyl-, (8-beta)-",66104-22-1,47811,"(6aR,9R,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline",CCCN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CSC,"InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1",YEHCICAEULNIGD-MZMPZRCHSA-N,C19H26N2S,314.5,314.18167,4.2,44.3,388,0,1,2,4,22,,,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Ergoline-8-carboxamide, N-(3-(dimethylamino)propyl)-N-((ethylamino)carbonyl)-6-(2-propenyl)-, (8-beta)-",81409-90-7,54746,"(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide",CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)CC=C,"InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1",KORNTPPJEAJQIU-KJXAQDMKSA-N,C26H37N5O2,451.6,451.2947254,3.4,71.7,713,0,2,4,8,33,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
THIOCARBANILIDE,000102-08-9,700999,"1,3-diphenylthiourea",C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2,"InChI=1S/C13H12N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)",FCSHMCFRCYZTRQ-UHFFFAOYSA-N,C13H12N2S,228.31,228.0721196,2.2,56.2,196,0,2,1,2,16,,"Decomposes (NTP, 1992)",0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,1,1,0
SCHREINER'S THIOUREA CATALYST,001060-92-0,2803772,"1,3-bis[3,5-bis(trifluoromethyl)phenyl]thiourea",C1=C(C=C(C=C1C(F)(F)F)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(F)(F)F,"InChI=1S/C17H8F12N2S/c18-14(19,20)7-1-8(15(21,22)23)4-11(3-7)30-13(32)31-12-5-9(16(24,25)26)2-10(6-12)17(27,28)29/h1-6H,(H2,30,31,32)",RWXWQJYJWJNJNW-UHFFFAOYSA-N,C17H8F12N2S,500.3,500.0216574,6.6,56.2,556,0,2,13,2,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Urea, 1,3-bis(p-chlorophenyl)-2-thio-",1220-00-4,2798589,"1,3-bis(4-chlorophenyl)thiourea",C1=CC(=CC=C1NC(=S)NC2=CC=C(C=C2)Cl)Cl,"InChI=1S/C13H10Cl2N2S/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)",SYJZYFOTCABQES-UHFFFAOYSA-N,C13H10Cl2N2S,297.2,295.9941749,3.4,56.2,246,0,2,1,2,18,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1,3-bis(p-methoxyphenyl)-2-thio-",1227-45-8,706970,"1,3-bis(4-methoxyphenyl)thiourea",COC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OC,"InChI=1S/C15H16N2O2S/c1-18-13-7-3-11(4-8-13)16-15(20)17-12-5-9-14(19-2)10-6-12/h3-10H,1-2H3,(H2,16,17,20)",RGRJEERVXALLTH-UHFFFAOYSA-N,C15H16N2O2S,288.4,288.0932489,2.1,74.6,270,0,2,3,4,20,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbanilide, 3-hydroxythio-",17073-35-7,853760,1-(3-hydroxyphenyl)-3-phenylthiourea,C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)O,"InChI=1S/C13H12N2OS/c16-12-8-4-7-11(9-12)15-13(17)14-10-5-2-1-3-6-10/h1-9,16H,(H2,14,15,17)",BTFREYNHBKXMCJ-UHFFFAOYSA-N,C13H12N2OS,244.31,244.0670342,1.8,76.4,254,0,3,2,2,17,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbanilide, 2,2'-dimethylthio-",137-97-3,688028,"1,3-bis(2-methylphenyl)thiourea",CC1=CC=CC=C1NC(=S)NC2=CC=CC=C2C,"InChI=1S/C15H16N2S/c1-11-7-3-5-9-13(11)16-15(18)17-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H2,16,17,18)",KWPNNZKRAQDVPZ-UHFFFAOYSA-N,C15H16N2S,256.4,256.1034197,3.8,56.2,254,0,2,1,2,18,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
OXAZINE 725 CHLORIDE,033203-82-6,118408,[7-(diethylamino)phenoxazin-3-ylidene]-diethylazanium chloride,CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2.[Cl-],"InChI=1S/C20H26N3O.ClH/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;/h9-14H,5-8H2,1-4H3;1H/q+1;/p-1",IURGIPVDZKDLIX-UHFFFAOYSA-M,C20H26ClN3O,359.9,359.1764402,,27.8,533,0,0,4,5,25,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOXAZIN-5-IUM, 3,7-BIS(DIETHYLAMINO)-, TRICHLOROZINCATE(1-)",033273-26-6,73555731,[7-(diethylamino)phenoxazin-3-ylidene]-diethylazanium;trichlorozinc(1-),CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2.Cl[Zn-](Cl)Cl,"InChI=1S/C20H26N3O.3ClH.Zn/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;;;;/h9-14H,5-8H2,1-4H3;3*1H;/q+1;;;;+2/p-3",QWROZACRIPOSPD-UHFFFAOYSA-K,C20H26Cl3N3OZn,496.2,493.043287,,27.8,541,0,0,4,5,28,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOXAZIN-5-IUM, 3-AMINO-7-(DIMETHYLAMINO)-2-METHOXY-, CHLORIDE",067846-56-4,105805,(7-amino-8-methoxyphenoxazin-3-ylidene)-dimethylazanium chloride,C[N+](=C1C=CC2=NC3=C(C=C(C(=C3)OC)N)OC2=C1)C.[Cl-],"InChI=1S/C15H15N3O2.ClH/c1-18(2)9-4-5-11-14(6-9)20-15-7-10(16)13(19-3)8-12(15)17-11;/h4-8,16H,1-3H3;1H",RBEVNYJLJHARBT-UHFFFAOYSA-N,C15H16ClN3O2,305.76,305.0931045,,59.9,529,0,1,5,1,21,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,1,0
OXAZINE 725 PERCHLORATE,024796-94-9,90611,[7-(diethylamino)phenoxazin-3-ylidene]-diethylazanium perchlorate,CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2.[O-]Cl(=O)(=O)=O,"InChI=1S/C20H26N3O.ClHO4/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;2-1(3,4)5/h9-14H,5-8H2,1-4H3;(H,2,3,4,5)/q+1;/p-1",PKZWDLHLOBYXKV-UHFFFAOYSA-M,C20H26ClN3O5,423.9,423.1560986,,102,628,0,0,7,5,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOXAZIN-5-IUM, 3,7-BIS(DIETHYLAMINO)-, NITRATE",073570-52-2,166432,[7-(diethylamino)phenoxazin-3-ylidene]-diethylazanium nitrate,CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2.[N+](=O)([O-])[O-],"InChI=1S/C20H26N3O.NO3/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;2-1(3)4/h9-14H,5-8H2,1-4H3;/q+1;-1",FINMBCOJZNNVJY-UHFFFAOYSA-N,C20H26N4O4,386.4,386.1954053,,90.7,551,0,0,6,5,28,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-DIAMINO-7-(DIETHYLAMINO)-8-METHYLPHENOXAZIN-5-IUM CHLORIDE",010127-36-3,82377,"(7,9-diamino-2-methylphenoxazin-3-ylidene)-diethylazanium chloride",CC[N+](=C1C=C2C(=NC3=C(C=C(C=C3O2)N)N)C=C1C)CC.[Cl-],"InChI=1S/C17H20N4O.ClH/c1-4-21(5-2)14-9-15-13(6-10(14)3)20-17-12(19)7-11(18)8-16(17)22-15;/h6-9H,4-5H2,1-3H3,(H3,18,19);1H",SMAXQFJSLRKHJE-UHFFFAOYSA-N,C17H21ClN4O,332.8,332.140389,,76.6,581,0,2,5,2,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ECGONINE HYDROCHLORIDE,005796-31-6,45157630,"(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid;hydrochloride",CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)O.Cl,"InChI=1S/C9H15NO3.ClH/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5;/h5-8,11H,2-4H2,1H3,(H,12,13);1H/t5-,6+,7-,8+;/m0./s1",HVWQTEPEBQYIFB-PXXJPSRFSA-N,C9H16ClNO3,221.68,221.0818711,,60.8,231,0,3,4,1,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"8-AZABICYCLO[3.2.1]OCTAN-3-OL, 8-METHYL-, ENDO-",000120-29-6,449293,"(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol",CN1[C@@H]2CC[C@H]1CC(C2)O,"InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8?",CYHOMWAPJJPNMW-DHBOJHSNSA-N,C8H15NO,141.21,141.1153641,0.8,23.5,123,0,1,2,0,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ECGONINE METHYL ESTER HYDROCHLORIDE,038969-40-3,162352,"methyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride",CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)OC.Cl,"InChI=1S/C10H17NO3.ClH/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2;/h6-9,12H,3-5H2,1-2H3;1H/t6-,7+,8-,9+;/m0./s1",RLLMNWXOZDXKCQ-NPPHLGRCSA-N,C10H18ClNO3,235.71,235.0975211,,49.8,244,0,2,4,2,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"8-Azabicyclo(3.2.1)octane, 3-(bis(4-fluorophenyl)methoxy)-8-butyl-, (3-endo)-",,136097,8-azabicyclo[3.2.1]octane,C1CC2CCC(C1)N2,"InChI=1S/C7H13N/c1-2-6-4-5-7(3-1)8-6/h6-8H,1-5H2",DGGKXQQCVPAUEA-UHFFFAOYSA-N,C7H13N,111.18,111.1047994,1.3,12,80,0,1,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Tropane, 3-alpha-((4,9-dihydrothieno(2,3-c)(2)benzothiepin-4-yl)oxy)-, maleate (1:1)",,637986,"(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane",CN1[C@@H]2CCC[C@H]1CC2,"InChI=1S/C8H15N/c1-9-7-3-2-4-8(9)6-5-7/h7-8H,2-6H2,1H3/t7-,8+",XLRPYZSEQKXZAA-OCAPTIKFSA-N,C8H15N,125.21,125.1204495,1.7,3.2,99,0,0,1,0,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1-alpha-H,5-alpha-H-Nortropan-3-beta-ol",501-33-7,73480,"(1S,5R)-8-azabicyclo[3.2.1]octan-3-ol",C1C[C@H]2CC(C[C@@H]1N2)O,"InChI=1S/C7H13NO/c9-7-3-5-1-2-6(4-7)8-5/h5-9H,1-4H2/t5-,6+,7?",YYMCYJLIYNNOMK-MEKDEQNOSA-N,C7H13NO,127.18,127.099714,0.3,32.3,103,0,2,2,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Xanthen-9-one, 1,3-dihydroxy-7-methoxy-",491-64-5,5281640,"1,3-dihydroxy-7-methoxyxanthen-9-one",COC1=CC2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)O,"InChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3",FVIYCYAHKMJVJK-UHFFFAOYSA-N,C14H10O5,258.23,258.0528234,2.8,76,358,0,2,5,1,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9H-Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-",11/1/47,5281650,"1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one",CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CC=C(C)C)O)C,"InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3",GNRIZKKCNOBBMO-UHFFFAOYSA-N,C24H26O6,410.5,410.1729385,6.3,96.2,677,0,3,6,5,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Xanthene-2-acetic acid, alpha-methyl-9-oxo-",30087-33-3,161655,2-(9-oxoxanthen-2-yl)propanoic acid,CC(C1=CC2=C(C=C1)OC3=CC=CC=C3C2=O)C(=O)O,"InChI=1S/C16H12O4/c1-9(16(18)19)10-6-7-14-12(8-10)15(17)11-4-2-3-5-13(11)20-14/h2-9H,1H3,(H,18,19)",JUCCZCZDAPBGIV-UHFFFAOYSA-N,C16H12O4,268.26,268.0735589,3.4,63.6,405,0,1,4,2,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
XANTHONE,000090-47-1,7020,xanthen-9-one,C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2,InChI=1S/C13H8O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,JNELGWHKGNBSMD-UHFFFAOYSA-N,C13H8O2,196.2,196.0524295,3.4,26.3,237,0,0,2,0,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-MERCAPTOPYRIDINE N-OXIDE,001121-31-9,1570,1-hydroxypyridine-2-thione,C1=CC(=S)N(C=C1)O,"InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,7H",YBBJKCMMCRQZMA-UHFFFAOYSA-N,C5H5NOS,127.17,127.009185,0.5,55.6,162,0,1,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-MERCAPTO-3-PYRIDINOL,023003-22-7,2723947,3-hydroxy-1H-pyridine-2-thione,C1=CNC(=S)C(=C1)O,"InChI=1S/C5H5NOS/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8)",MARYDOMJDFATPK-UHFFFAOYSA-N,C5H5NOS,127.17,127.009185,0.7,64.4,171,0,2,2,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM 2-PYRIDINETHIOL-1-OXIDE,015922-78-8,23685289,sodium 1-oxidopyridine-2-thione,C1=CC(=S)N(C=C1)[O-].[Na+],InChI=1S/C5H4NOS.Na/c7-6-4-2-1-3-5(6)8;/h1-4H;/q-1;+1,XNRNJIIJLOFJEK-UHFFFAOYSA-N,C5H4NNaOS,149.15,148.9911292,,58.4,166,0,0,2,0,9,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,0
2-MERCAPTONICOTINIC ACID,038521-46-9,673681,2-sulfanylidene-1H-pyridine-3-carboxylic acid,C1=CNC(=S)C(=C1)C(=O)O,"InChI=1S/C6H5NO2S/c8-6(9)4-2-1-3-7-5(4)10/h1-3H,(H,7,10)(H,8,9)",WYKHFQKONWMWQM-UHFFFAOYSA-N,C6H5NO2S,155.18,155.0040996,0.5,81.4,242,0,2,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyridinecarbonitrile, 1,2-dihydro-4,6-dimethyl-2-thioxo-",54585-47-6,676510,"4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile",CC1=CC(=C(C(=S)N1)C#N)C,"InChI=1S/C8H8N2S/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,1-2H3,(H,10,11)",CZRHEROEPICLRO-UHFFFAOYSA-N,C8H8N2S,164.23,164.0408194,1,67.9,314,0,1,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-MERCAPTOPYRIDINE,002637-34-5,2723698,1H-pyridine-2-thione,C1=CC(=S)NC=C1,"InChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)",WHMDPDGBKYUEMW-UHFFFAOYSA-N,C5H5NS,111.17,111.0142703,-0.1,44.1,135,0,1,1,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-BENZIMIDAZOLE-2-THIONE, 1,3-DIHYDRO-5-NITRO-",006325-91-3,3717598,"5-nitro-1,3-dihydrobenzimidazole-2-thione",C1=CC2=C(C=C1[N+](=O)[O-])NC(=S)N2,"InChI=1S/C7H5N3O2S/c11-10(12)4-1-2-5-6(3-4)9-7(13)8-5/h1-3H,(H2,8,9,13)",YPXQSGWOGQPLQO-UHFFFAOYSA-N,C7H5N3O2S,195.2,195.0102476,1,102,253,0,2,3,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-BENZIMIDAZOLE-2-THIONE, 1,3-DIHYDRO-5-METHYL-",027231-36-3,712373,"5-methyl-1,3-dihydrobenzimidazole-2-thione",CC1=CC2=C(C=C1)NC(=S)N2,"InChI=1S/C8H8N2S/c1-5-2-3-6-7(4-5)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11)",CWIYBOJLSWJGKV-UHFFFAOYSA-N,C8H8N2S,164.23,164.0408194,2,56.2,181,0,2,1,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-BENZIMIDAZOLE-5-SULFONIC ACID, 2,3-DIHYDRO-2-THIOXO-, MONOSODIUMSALT",053918-03-9,3745949,"sodium 2-sulfanylidene-1,3-dihydrobenzimidazole-5-sulfonate",C1=CC2=C(C=C1S(=O)(=O)[O-])NC(=S)N2.[Na+],"InChI=1S/C7H6N2O3S2.Na/c10-14(11,12)4-1-2-5-6(3-4)9-7(13)8-5;/h1-3H,(H2,8,9,13)(H,10,11,12);/q;+1/p-1",AMZPPWFHMNMIEI-UHFFFAOYSA-M,C7H5N2NaO3S2,252.3,251.9639287,,122,354,0,2,4,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-Benzimidazolethiol,000583-39-1,707035,"1,3-dihydrobenzimidazole-2-thione",C1=CC=C2C(=C1)NC(=S)N2,"InChI=1S/C7H6N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)",YHMYGUUIMTVXNW-UHFFFAOYSA-N,C7H6N2S,150.2,150.0251694,1.7,56.2,142,0,2,1,0,10,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,1
"2H-BENZIMIDAZOLE-2-THIONE, 1,3-DIHYDRO-4-METHYL-",027231-33-0,3034478,"4-methyl-1,3-dihydrobenzimidazole-2-thione",CC1=C2C(=CC=C1)NC(=S)N2,"InChI=1S/C8H8N2S/c1-5-3-2-4-6-7(5)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11)",UDQCDDZBBZNIFA-UHFFFAOYSA-N,C8H8N2S,164.23,164.0408194,1.5,56.2,181,0,2,1,0,11,,,0,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6-fluoro-5-methyl-7-(3-m",119914-60-2,72474,1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid,CC1CN(CCN1)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)C)F,"InChI=1S/C19H22FN3O3/c1-10-8-22(6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-23(14)12-3-4-12/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26)",AIJTTZAVMXIJGM-UHFFFAOYSA-N,C19H22FN3O3,359.4,359.1645197,-0.2,72.9,636,0,2,7,3,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CIPROFLOXACIN HYDROCHLORIDE MONOHYDRATE,086393-32-0,62998,1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;hydrate;hydrochloride,C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O.O.Cl,"InChI=1S/C17H18FN3O3.ClH.H2O/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;;/h7-10,19H,1-6H2,(H,23,24);1H;1H2",ARPUHYJMCVWYCZ-UHFFFAOYSA-N,C17H21ClFN3O4,385.8,385.120462,,73.9,571,0,4,8,3,26,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-4-oxo-",93106-60-6,71188,1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid,CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F,"InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)",SPFYMRJSYKOXGV-UHFFFAOYSA-N,C19H22FN3O3,359.4,359.1645197,-0.2,64.1,613,0,1,7,4,26,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,1,0,0,1,1,0
"3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-,monohydrochloride",93107-08-5,62999,1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride,C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O.Cl,"InChI=1S/C17H18FN3O3.ClH/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;/h7-10,19H,1-6H2,(H,23,24);1H",DIOIOSKKIYDRIQ-UHFFFAOYSA-N,C17H19ClFN3O3,367.8,367.1098973,,72.9,571,0,3,7,3,25,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,1,1,0,1
"3-Quinolinecarboxylic acid, 1,4-dihydro-5-amino-1-cyclopropyl-6,8-difluoro-7-(",110871-86-8,60464,"5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid",C[C@@H]1CN(C[C@@H](N1)C)C2=C(C(=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)N)F,"InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+",DZZWHBIBMUVIIW-DTORHVGOSA-N,C19H22F2N4O3,392.4,392.1659969,0.1,98.9,691,0,3,9,3,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CIPROFLOXACIN,085721-33-1,2764,1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid,C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O,"InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)",MYSWGUAQZAJSOK-UHFFFAOYSA-N,C17H18FN3O3,331.34,331.1332196,-1.1,72.9,571,0,2,7,3,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
(1-(5-FLUOROPENYL)-3-(1-NAPHTHOYL)INDOLE,335161-24-5,53393997,[1-(5-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone,C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CN(C4=CC=CC=C43)CCCCCF,"InChI=1S/C24H22FNO/c25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17H,1,6-7,15-16H2",ALQFAGFPQCBPED-UHFFFAOYSA-N,C24H22FNO,359.4,359.1685425,5.9,22,495,0,0,2,7,27,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
1-BUTYL-3-(1-NAPHTHOYL)INDOLE,208987-48-8,10471670,(1-butylindol-3-yl)-naphthalen-1-ylmethanone,CCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43,"InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3",VCHHHSMPMLNVGS-UHFFFAOYSA-N,C23H21NO,327.4,327.1623143,5.8,22,461,0,0,1,5,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
4-METHOXYNAPHTHALEN-1-YL-(1-PENTYLINDOL-3-YL)METHANONE,210179-46-7,10547208,(4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone,CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=C(C4=CC=CC=C43)OC,"InChI=1S/C25H25NO2/c1-3-4-9-16-26-17-22(19-11-7-8-13-23(19)26)25(27)21-14-15-24(28-2)20-12-6-5-10-18(20)21/h5-8,10-15,17H,3-4,9,16H2,1-2H3",UBMPKJKGUQDHRM-UHFFFAOYSA-N,C25H25NO2,371.5,371.188529,6.3,31.2,521,0,0,2,7,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Methanone, (2-methyl-1-propyl-1H-indol-3-yl)(1-napthalenyl)-",155471-08-2,4273754,(2-methyl-1-propylindol-3-yl)-naphthalen-1-ylmethanone,CCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43)C,"InChI=1S/C23H21NO/c1-3-15-24-16(2)22(20-12-6-7-14-21(20)24)23(25)19-13-8-10-17-9-4-5-11-18(17)19/h4-14H,3,15H2,1-2H3",LJSBBBWQTLXQEN-UHFFFAOYSA-N,C23H21NO,327.4,327.1623143,5.8,22,475,0,0,1,4,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Methanone, (4-ethyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)-",824959-81-1,45270396,(4-ethylnaphthalen-1-yl)-(1-pentylindol-3-yl)methanone,CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=C(C4=CC=CC=C43)CC,"InChI=1S/C26H27NO/c1-3-5-10-17-27-18-24(22-13-8-9-14-25(22)27)26(28)23-16-15-19(4-2)20-11-6-7-12-21(20)23/h6-9,11-16,18H,3-5,10,17H2,1-2H3",LACIUQLUNACUKC-UHFFFAOYSA-N,C26H27NO,369.5,369.2092645,7.1,22,517,0,0,1,7,28,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Methanone, (1-(5-fluoropentyl)-1H-indol-3-yl)(4-methyl-1-naphthalenyl)-",1354631-24-5,66570720,[1-(5-fluoropentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone,CC1=CC=C(C2=CC=CC=C12)C(=O)C3=CN(C4=CC=CC=C43)CCCCCF,"InChI=1S/C25H24FNO/c1-18-13-14-22(20-10-4-3-9-19(18)20)25(28)23-17-27(16-8-2-7-15-26)24-12-6-5-11-21(23)24/h3-6,9-14,17H,2,7-8,15-16H2,1H3",IGBHZHCGWLHBAE-UHFFFAOYSA-N,C25H24FNO,373.5,373.1841926,6.3,22,523,0,0,2,7,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
BIS(TRIPHENYLPHOSPHINE)PALLADIUM(II) CHLORIDE,013965-03-2,6102075,dichloropalladium;bis(triphenylphosphane),C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl,InChI=1S/2C18H15P.2ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;/q;;;;+2/p-2,YNHIGQDRGKUECZ-UHFFFAOYSA-L,C36H30Cl2P2Pd,701.9,700.02346,,0,204,0,0,0,6,41,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
DIBROMOBIS(TRIPHENYLPHOSPHINE)NICKEL(II),014126-37-5,11050914,dibromonickel;bis(triphenylphosphane),C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni](Br)Br,InChI=1S/2C18H15P.2BrH.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;/q;;;;+2/p-2,QEKXARSPUFVXIX-UHFFFAOYSA-L,C36H30Br2NiP2,743.1,741.95224,,0,204,0,0,0,6,41,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ETHYLENEBIS(TRIPHENYLPHOSPHINE)PLATINUM (0),012120-15-9,2734701,ethene;platinum;bis(triphenylphosphane),C=C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Pt],InChI=1S/2C18H15P.C2H4.Pt/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;/h2*1-15H;1-2H2;,RZUASTIKPBCXPU-UHFFFAOYSA-N,C38H34P2Pt,747.7,747.178369,,0,202,0,0,0,6,41,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRANS-BIS(ACETATO)BIS[O-(DI-O-TOLYLPHOSPHINO)BENZYL]DIPALLADIUM(II),172418-32-5,11104995,acetic acid;bis((2-methanidylphenyl)-bis(2-methylphenyl)phosphane);bis(palladium),CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3[CH2-].CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3[CH2-].CC(=O)O.CC(=O)O.[Pd].[Pd],"InChI=1S/2C21H20P.2C2H4O2.2Pd/c2*1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;2*1-2(3)4;;/h2*4-15H,1H2,2-3H3;2*1H3,(H,3,4);;/q2*-1;;;;",VWGJFGJEXBXEDJ-UHFFFAOYSA-N,C46H48O4P2Pd2-2,939.7,940.11016,,74.6,409,-2,2,6,6,54,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BIS(TRYPHENYLPHOSPHINE)NICKEL(II) CHLORIDE,014264-16-5,498315,dichloronickel;bis(triphenylphosphane),C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ni]Cl,InChI=1S/2C18H15P.2ClH.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;/q;;;;+2/p-2,ZBRJXVVKPBZPAN-UHFFFAOYSA-L,C36H30Cl2NiP2,654.2,652.055322,,0,204,0,0,0,6,41,,,0,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
CIS-DICHLOROBIS(TRIPHENYLPHOSPHINE)PLATINUM(II),015604-36-1,6102097,dichloroplatinum;bis(triphenylphosphane),C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Pt]Cl,InChI=1S/2C18H15P.2ClH.Pt/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;/q;;;;+2/p-2,XAFJSPPHVXDRIE-UHFFFAOYSA-L,C36H30Cl2P2Pt,790.6,789.084775,,0,204,0,0,0,6,41,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-AMINO-2-PIPERIDONE,001892-22-4,5200225,3-aminopiperidin-2-one,C1CC(C(=O)NC1)N,"InChI=1S/C5H10N2O/c6-4-2-1-3-7-5(4)8/h4H,1-3,6H2,(H,7,8)",YCCMTCQQDULIFE-UHFFFAOYSA-N,C5H10N2O,114.15,114.0793129,-0.8,55.1,103,0,2,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(S)-3-AMINO-2-PIPERIDONE HYDROCHLORIDE,042538-31-8,45789910,(3S)-3-aminopiperidin-2-one;hydrochloride,C1C[C@@H](C(=O)NC1)N.Cl,"InChI=1S/C5H10N2O.ClH/c6-4-2-1-3-7-5(4)8;/h4H,1-3,6H2,(H,7,8);1H/t4-;/m0./s1",NLAYLURYAOXTTE-WCCKRBBISA-N,C5H11ClN2O,150.61,150.0559907,,55.1,103,0,3,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-PIPERIDINONE, 1-METHYL-",000931-20-4,13603,1-methylpiperidin-2-one,CN1CCCCC1=O,"InChI=1S/C6H11NO/c1-7-5-3-2-4-6(7)8/h2-5H2,1H3",GGYVTHJIUNGKFZ-UHFFFAOYSA-N,C6H11NO,113.16,113.084064,-0.2,20.3,101,0,0,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,5-DIMETHYL-2-PIPERIDONE",086917-58-0,159027,"1,5-dimethylpiperidin-2-one",CC1CCC(=O)N(C1)C,"InChI=1S/C7H13NO/c1-6-3-4-7(9)8(2)5-6/h6H,3-5H2,1-2H3",YXHVIDNQBMVYHQ-UHFFFAOYSA-N,C7H13NO,127.18,127.099714,0.6,20.3,122,0,0,1,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-Piperidone, 6-methyl-",4775-98-8,20905,6-methylpiperidin-2-one,CC1CCCC(=O)N1,"InChI=1S/C6H11NO/c1-5-3-2-4-6(8)7-5/h5H,2-4H2,1H3,(H,7,8)",XPMMAKUHNMSONL-UHFFFAOYSA-N,C6H11NO,113.16,113.084064,0.4,29.1,101,0,1,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indazole-3-carboxylic acid, 1-(2,4-dichlorobenzyl)-",050264-69-2,39562,"1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid",C1=CC=C2C(=C1)C(=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)O,"InChI=1S/C15H10Cl2N2O2/c16-10-6-5-9(12(17)7-10)8-19-13-4-2-1-3-11(13)14(18-19)15(20)21/h1-7H,8H2,(H,20,21)",WDRYRZXSPDWGEB-UHFFFAOYSA-N,C15H10Cl2N2O2,321.2,320.011933,4.3,55.1,396,0,1,3,3,21,,,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1H-Indazole, 1-benzyl-3-(3-(dimethylamino)propoxy)-, monohydrochloride",000132-69-4,65464,"3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride",CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3.Cl,"InChI=1S/C19H23N3O.ClH/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16;/h3-7,9-12H,8,13-15H2,1-2H3;1H",HNNIWKQLJSNAEQ-UHFFFAOYSA-N,C19H24ClN3O,345.9,345.1607901,,30.3,344,0,1,3,7,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Indazole-3-carboxylic acid, 1-(p-fluorobenzyl)-",050264-63-6,206430,1-[(4-fluorophenyl)methyl]indazole-3-carboxylic acid,C1=CC=C2C(=C1)C(=NN2CC3=CC=C(C=C3)F)C(=O)O,"InChI=1S/C15H11FN2O2/c16-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)14(17-18)15(19)20/h1-8H,9H2,(H,19,20)",VRKPPEZAPRSYRE-UHFFFAOYSA-N,C15H11FN2O2,270.26,270.0804558,3.1,55.1,358,0,1,4,3,20,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
FUB-AMB,1715016-76-4,119058044,methyl 2-[[1-[(4-fluorophenyl)methyl]indazole-3-carbonyl]amino]-3-methylbutanoate,CC(C)C(C(=O)OC)NC(=O)C1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)F,"InChI=1S/C21H22FN3O3/c1-13(2)18(21(27)28-3)23-20(26)19-16-6-4-5-7-17(16)25(24-19)12-14-8-10-15(22)11-9-14/h4-11,13,18H,12H2,1-3H3,(H,23,26)",FRFFLYJQPCIIQB-UHFFFAOYSA-N,C21H22FN3O3,383.4,383.1645197,4.2,73.2,551,0,1,5,7,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Indazole, 1-benzyl-3-(3-(dimethylamino)propoxy)-",642-72-8,12555,"3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine",CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3,"InChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3",CNBGNNVCVSKAQZ-UHFFFAOYSA-N,C19H23N3O,309.4,309.1841124,3.9,30.3,344,0,0,3,7,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, ((1-benzyl-1H-indazol-3-yl)oxy)-",20187-55-7,2313,2-(1-benzylindazol-3-yl)oxyacetic acid,C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)OCC(=O)O,"InChI=1S/C16H14N2O3/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)",BYFMCKSPFYVMOU-UHFFFAOYSA-N,C16H14N2O3,282.29,282.1004423,3.1,64.4,357,0,1,4,5,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
AMB-FUBINACA,1971007-92-7,119026173,methyl (2S)-2-[[1-[(4-fluorophenyl)methyl]indazole-3-carbonyl]amino]-3-methylbutanoate,CC(C)[C@@H](C(=O)OC)NC(=O)C1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)F,"InChI=1S/C21H22FN3O3/c1-13(2)18(21(27)28-3)23-20(26)19-16-6-4-5-7-17(16)25(24-19)12-14-8-10-15(22)11-9-14/h4-11,13,18H,12H2,1-3H3,(H,23,26)/t18-/m0/s1",FRFFLYJQPCIIQB-SFHVURJKSA-N,C21H22FN3O3,383.4,383.1645197,4.2,73.2,551,0,1,5,7,28,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
PYRETHRINS [CAS NO. 000121-21-1],000121-21-1,5281045,"cis-[(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate",CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)C/C=C\C=C,"InChI=1S/C21H28O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-/t16-,18+,19+/m1/s1",ROVGZAWFACYCSP-VUMXUWRFSA-N,C21H28O3,328.4,328.2038448,5.4,43.4,642,0,0,3,7,24,,"BP: 170 °C at 0.1 mm Hg, decomposes",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOPROPANECARBOXYLIC ACID, 3-(3-METHOXY-2-METHYL-3-OXO-1-PROPENYL)-2,2-DIMET",000121-29-9,5281555,"cis-[(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate",CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)/C=C(\C)/C(=O)OC)C/C=C\C=C,"InChI=1S/C22H28O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-,13-11+/t16-,18+,19+/m1/s1",VJFUPGQZSXIULQ-XIGJTORUSA-N,C22H28O5,372.5,372.193674,4.4,69.7,751,0,0,5,9,27,,"BP: 200 °C at 0.1 mm Hg, decomposes",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
D-TRANS ALLETHRIN,028434-00-6,62829,"cis-[(1S)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate",CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)CC=C,"InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3/t14-,16+,17+/m1/s1",ZCVAOQKBXKSDMS-PVAVHDDUSA-N,C19H26O3,302.4,302.1881947,4.8,43.4,573,0,0,3,6,22,~120 °C,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
D-TRANS-ALLETHRIN [D-TRANS-CHRYSANTHEMIC ACID OF D-ALLETHRONE],028057-48-9,15558638,"cis-(2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate",CC1=C(C(=O)CC1OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)CC=C,"InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3/t14-,16?,17+/m1/s1",ZCVAOQKBXKSDMS-AQYZNVCMSA-N,C19H26O3,302.4,302.1881947,4.8,43.4,573,0,0,3,6,22,130 °C,165-170,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOPROPANECARBOXYLIC ACID, 2,2-DIMETHYL-3-(2-METHYL-1-PROPENYL)-,2-METHYL-4-",000584-79-2,11442,"(2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate",CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C,"InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3",ZCVAOQKBXKSDMS-UHFFFAOYSA-N,C19H26O3,302.4,302.1881947,4.8,43.4,573,0,0,3,6,22,GREATER THAN 140 °F,BP: 140 °C at 0.1 mm Hg. Vaporizes without decomposition when heated at 150 °C.,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Estrone, hydrogen sulfate, sodium salt",000438-67-5,23667301,"sodium [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate",C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)[O-].[Na+],"InChI=1S/C18H22O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,18+;/m1./s1",VUCAHVBMSFIGAI-ZFINNJDLSA-M,C18H21NaO5S,372.4,372.1007392,,91.9,630,0,0,5,2,25,,,0,0,0,0,0,1,0,1,0,0,0,0,0,1,0,0,1,0,0,1
ESTRONE,000053-16-7,5870,"(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O,"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1",DNXHEGUUPJUMQT-CBZIJGRNSA-N,C18H22O2,270.4,270.1619799,3.1,37.3,418,0,1,2,0,20,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
16A-HYDROXYESTRONE,000566-76-7,115116,"(8R,9S,13S,14S,16R)-3,16-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H](C2=O)O)CCC4=C3C=CC(=C4)O,"InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,18+/m1/s1",WPOCIZJTELRQMF-QFXBJFAPSA-N,C18H22O3,286.4,286.1568946,2.6,57.5,448,0,2,3,0,21,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-HYDROXYESTRONE,000362-06-1,440623,"(8R,9S,13S,14S)-2,3-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)O)O,"InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1",SWINWPBPEKHUOD-JPVZDGGYSA-N,C18H22O3,286.4,286.1568946,2.8,57.5,448,0,2,3,0,21,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Estra-1,3,5(10)-trien-17-one, 3-hydroxy-2-methoxy-",362-08-3,440624,"(8R,9S,13S,14S)-3-hydroxy-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)OC)O,"InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1",WHEUWNKSCXYKBU-QPWUGHHJSA-N,C19H24O3,300.4,300.1725446,3.1,46.5,462,0,1,3,1,22,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Estra-1,3,5(10)-trien-17-one, 3-hydroxy-7-methyl-, (7-alpha)-",10448-96-1,65601,"(7R,8R,9S,13S,14S)-3-hydroxy-7,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",C[C@@H]1CC2=C(C=CC(=C2)O)[C@@H]3[C@@H]1[C@@H]4CCC(=O)[C@]4(CC3)C,"InChI=1S/C19H24O2/c1-11-9-12-10-13(20)3-4-14(12)15-7-8-19(2)16(18(11)15)5-6-17(19)21/h3-4,10-11,15-16,18,20H,5-9H2,1-2H3/t11-,15-,16+,18-,19+/m1/s1",JUAJXSMWFOFDFC-MNHDCVOLSA-N,C19H24O2,284.4,284.17763,3.4,37.3,445,0,1,2,0,21,,,0,1,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"1,8-NAPHTHALIMIDE",000081-83-4,66491,"benzo[de]isoquinoline-1,3-dione",C1=CC2=C3C(=C1)C(=O)NC(=O)C3=CC=C2,"InChI=1S/C12H7NO2/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13-11/h1-6H,(H,13,14,15)",XJHABGPPCLHLLV-UHFFFAOYSA-N,C12H7NO2,197.19,197.0476785,1.7,46.2,285,0,1,2,0,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-HYDROXY-1H-BENZ[DE]ISOQUINOLINE-1,3(2H)-DIONE",007797-81-1,82263,"2-hydroxybenzo[de]isoquinoline-1,3-dione",C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)O,"InChI=1S/C12H7NO3/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13(11)16/h1-6,16H",KTWCUGUUDHJVIH-UHFFFAOYSA-N,C12H7NO3,213.19,213.0425931,1.7,57.6,311,0,1,3,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FLUOROL 555,019125-99-6,87935,"2-butyl-6-(butylamino)benzo[de]isoquinoline-1,3-dione",CCCCNC1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)CCCC,"InChI=1S/C20H24N2O2/c1-3-5-12-21-17-11-10-16-18-14(17)8-7-9-15(18)19(23)22(20(16)24)13-6-4-2/h7-11,21H,3-6,12-13H2,1-2H3",DXWHZJXKTHGHQF-UHFFFAOYSA-N,C20H24N2O2,324.4,324.183778,4.6,49.4,465,0,1,3,7,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Benz(de)isoquinoline-2(3H)-butanoic acid, 1,3-dioxo-",88909-96-0,145949,"4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid",C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)O,"InChI=1S/C16H13NO4/c18-13(19)8-3-9-17-15(20)11-6-1-4-10-5-2-7-12(14(10)11)16(17)21/h1-2,4-7H,3,8-9H2,(H,18,19)",ZHXRDXTYPCPBTI-UHFFFAOYSA-N,C16H13NO4,283.28,283.0844579,2,74.7,431,0,1,4,4,21,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Benz(de)isoquinoline-2(3H)-acetic acid, 1,3-dioxo-",51411-04-2,2120,"2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetic acid",C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CC(=O)O,"InChI=1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17)",GCUCIFQCGJIRNT-UHFFFAOYSA-N,C14H9NO4,255.22,255.0531578,1.7,74.7,403,0,1,4,2,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DICYCLOHEXYL(2',6'-DIMETHOXY[1,1'-BIPHENYL]-2-YL)PHOSPHINE",657408-07-6,11269872,"dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane",COC1=C(C(=CC=C1)OC)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4,"InChI=1S/C26H35O2P/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h9-11,16-21H,3-8,12-15H2,1-2H3",VNFWTIYUKDMAOP-UHFFFAOYSA-N,C26H35O2P,410.5,410.2374674,6.7,18.5,441,0,0,2,6,29,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"2-DICYCLOHEXYLPHOSPHINO-2',6'-DIISOPROPOXYBIPHENYL",787618-22-8,16217985,"dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane",CC(C)OC1=C(C(=CC=C1)OC(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4,"InChI=1S/C30H43O2P/c1-22(2)31-27-19-13-20-28(32-23(3)4)30(27)26-18-11-12-21-29(26)33(24-14-7-5-8-15-24)25-16-9-6-10-17-25/h11-13,18-25H,5-10,14-17H2,1-4H3",MXFYYFVVIIWKFE-UHFFFAOYSA-N,C30H43O2P,466.6,466.3000676,8.3,18.5,515,0,0,2,8,33,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-(DICYCLOHEXYLPHOSPHINO)-2',4',6'-TRI-I-PROPYL-1,1'-BIPHENYL",564483-18-7,11155794,"dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane",CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C)C,"InChI=1S/C33H49P/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3",UGOMMVLRQDMAQQ-UHFFFAOYSA-N,C33H49P,476.7,476.3571886,10.1,0,545,0,0,0,7,34,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-(DICYCLOHEXYLPHOSPHINO)-2'-(N,N-DIMETHYLAMINO)BIPHENYL",213697-53-1,2734217,"2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline",CN(C)C1=CC=CC=C1C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4,"InChI=1S/C26H36NP/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h9-12,17-22H,3-8,13-16H2,1-2H3",ZEMZPXWZVTUONV-UHFFFAOYSA-N,C26H36NP,393.5,393.2585372,6.9,3.2,433,0,0,1,5,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-DICYCLOHEXYLPHOSPHINO-2'-METHYLBIPHENYL,251320-86-2,2734938,dicyclohexyl-[2-(2-methylphenyl)phenyl]phosphane,CC1=CC=CC=C1C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4,"InChI=1S/C25H33P/c1-20-12-8-9-17-23(20)24-18-10-11-19-25(24)26(21-13-4-2-5-14-21)22-15-6-3-7-16-22/h8-12,17-19,21-22H,2-7,13-16H2,1H3",GPVWUKXZFDHGMZ-UHFFFAOYSA-N,C25H33P,364.5,364.2319881,7.1,0,388,0,0,0,4,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"2-(DICYCLOHEXYLPHOPHINO)-3,6-DIMETHOXY-2',4',6'-TRIISOPROPYL-1,1'-BIPHENYL",1070663-78-3,25112535,"dicyclohexyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane",CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC)OC)C(C)C,"InChI=1S/C35H53O2P/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28/h19-25,27-28H,9-18H2,1-8H3",WDVGNXKCFBOKDF-UHFFFAOYSA-N,C35H53O2P,536.8,536.3783179,10.1,18.5,643,0,0,2,9,38,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
(2-BIPHENYL)DICYCLOHEXYLPHOSPHINE,247940-06-3,2734216,dicyclohexyl-(2-phenylphenyl)phosphane,C1CCC(CC1)P(C2CCCCC2)C3=CC=CC=C3C4=CC=CC=C4,"InChI=1S/C24H31P/c1-4-12-20(13-5-1)23-18-10-11-19-24(23)25(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1,4-5,10-13,18-19,21-22H,2-3,6-9,14-17H2",LCSNDSFWVKMJCT-UHFFFAOYSA-N,C24H31P,350.5,350.216338,6.7,0,356,0,0,0,4,25,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE PHOSPHATE SOLDIUM SALT,102029-67-4,16218843,,CC(=O)C1=C[N+](=CC=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)OP(=O)(O)O)O)O.[Na],"InChI=1S/C22H29N6O17P3.Na/c1-10(29)11-3-2-4-27(5-11)21-16(31)15(30)12(42-21)6-40-47(36,37)45-48(38,39)41-7-13-18(44-46(33,34)35)17(32)22(43-13)28-9-26-14-19(23)24-8-25-20(14)28;/h2-5,8-9,12-13,15-18,21-22,30-32H,6-7H2,1H3,(H5-,23,24,25,33,34,35,36,37,38,39);/p+1",KZDYAZWFKFRMNK-UHFFFAOYSA-O,C22H30N6NaO17P3+,766.4,766.0777988,,339,1300,1,8,21,13,49,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
B-NICOTINAMIDE ADENINE DINUCLEOTIDE SODIUM,020111-18-6,72710628,"sodium [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate",C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N.[Na+],"InChI=1S/C21H27N7O14P2.Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33;/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37);/q;+1/p-1/t10-,11-,13-,14-,15-,16-,20-,21-;/m1./s1",OGCURMAMSJFXSG-QYZPTAICSA-M,C21H26N7NaO14P2,685.4,685.0910668,,324,1110,0,6,18,11,45,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NADP, MONOSODIUM SALT",001184-16-3,5702267,"sodium [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate",C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)[O-])O)O)O)C(=O)N.[Na+],"InChI=1S/C21H28N7O17P3.Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39);/q;+1/p-1/t10-,11-,13-,14-,15-,16-,20-,21-;/m1./s1",JNUMDLCHLVUHFS-QYZPTAICSA-M,C21H27N7NaO17P3,765.4,765.0573977,,370,1290,0,7,21,13,49,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ALPHA-NICOTINAMIDE ADENINE DINUCLEOTIDE FROM SACCHAROMYCES CEREVISIAE,007298-93-3,111288,"[[(2R,3S,4R,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate",C1=CC(=C[N+](=C1)[C@@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N,"InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20+,21+/m1/s1",BAWFJGJZGIEFAR-XUWLLVQESA-N,C21H27N7O14P2,663.4,663.1091226,-6,321,1120,0,7,18,11,44,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-ACETYLPYRIDINE-ADENINE DINUCLEOTIDE,000086-08-8,123926,"[(2R,3S,4R,5R)-5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate",CC(=O)C1=C[N+](=CC=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O,"InChI=1S/C22H28N6O14P2/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28/h2-5,8-9,12-13,15-18,21-22,30-33H,6-7H2,1H3,(H3-,23,24,25,34,35,36,37)/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1",KPVQNXLUPNWQHM-RBEMOOQDSA-N,C22H28N6O14P2,662.4,662.1138736,-5.2,295,1120,0,6,18,11,44,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BETA-NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE,000053-59-8,5885,"[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate",C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N,"InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",XJLXINKUBYWONI-NNYOXOHSSA-N,C21H28N7O17P3,743.4,743.0754534,-7.1,368,1290,0,8,21,13,48,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Indandione, 2-(hydroxymethyl)-2-phenyl-",151-88-2,3035279,"2-(hydroxymethyl)-2-phenylindene-1,3-dione",C1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)CO,"InChI=1S/C16H12O3/c17-10-16(11-6-2-1-3-7-11)14(18)12-8-4-5-9-13(12)15(16)19/h1-9,17H,10H2",DHGLVPJIAJCZNX-UHFFFAOYSA-N,C16H12O3,252.26,252.0786442,2.8,54.4,357,0,1,3,2,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Indandione, 2-(p-bromophenyl)-",1146-98-1,14369,"2-(4-bromophenyl)indene-1,3-dione",C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CC=C(C=C3)Br,"InChI=1S/C15H9BrO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H",NPUZIGSOEWMFKK-UHFFFAOYSA-N,C15H9BrO2,301.13,299.97859,3.6,34.1,334,0,0,2,1,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Indandione, 2-(3,4,5-trimethoxyphenyl)-",19225-22-0,209108,"2-(3,4,5-trimethoxyphenyl)indene-1,3-dione",COC1=CC(=CC(=C1OC)OC)C2C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C18H16O5/c1-21-13-8-10(9-14(22-2)18(13)23-3)15-16(19)11-6-4-5-7-12(11)17(15)20/h4-9,15H,1-3H3",HXYXFQRJJLENLX-UHFFFAOYSA-N,C18H16O5,312.3,312.0997736,2.8,61.8,424,0,0,5,4,23,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Indandione, 2-(p-chlorophenyl)-",1146-99-2,70846,"2-(4-chlorophenyl)indene-1,3-dione",C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CC=C(C=C3)Cl,"InChI=1S/C15H9ClO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H",NJDUWAXIURWWLN-UHFFFAOYSA-N,C15H9ClO2,256.68,256.0291072,3.5,34.1,334,0,0,2,1,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Indandione, 2-(4-methylphenyl)-",7561-48-0,202148,"2-(4-methylphenyl)indene-1,3-dione",CC1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C16H12O2/c1-10-6-8-11(9-7-10)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3",UZRVEOMTWFQDCD-UHFFFAOYSA-N,C16H12O2,236.26,236.0837296,3.3,34.1,328,0,0,2,1,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZALDEHYDE, (PHENYLMETHYLENE)HYDRAZONE",000588-68-1,92130,N-(benzylideneamino)-1-phenylmethanimine,C1=CC=C(C=C1)C=NN=CC2=CC=CC=C2,InChI=1S/C14H12N2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-12H,CWLGEPSKQDNHIO-UHFFFAOYSA-N,C14H12N2,208.26,208.1000484,3.3,24.7,207,0,0,2,3,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
VANILLIN AZINE,001696-60-2,74331,4-[[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-2-methoxyphenol,COC1=C(C=CC(=C1)C=NN=CC2=CC(=C(C=C2)O)OC)O,"InChI=1S/C16H16N2O4/c1-21-15-7-11(3-5-13(15)19)9-17-18-10-12-4-6-14(20)16(8-12)22-2/h3-10,19-20H,1-2H3",GGQDJSIYHIRXDW-UHFFFAOYSA-N,C16H16N2O4,300.31,300.111007,2.5,83.6,352,0,2,6,5,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZALDEHYDE, 4-METHOXY-, [(4-METHOXYPHENYL)METHYLENE]HYDRAZONE",002299-73-2,6861420,(E)-1-(4-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]methanimine,COC1=CC=C(C=C1)/C=N/N=C/C2=CC=C(C=C2)OC,"InChI=1S/C16H16N2O2/c1-19-15-7-3-13(4-8-15)11-17-18-12-14-5-9-16(20-2)10-6-14/h3-12H,1-2H3/b17-11+,18-12+",SVAKQZXLNBBOTG-JYFOCSDGSA-N,C16H16N2O2,268.31,268.1211778,3.2,43.2,282,0,0,4,5,20,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzaldehyde, 3-fluoro-, ((3-fluorophenyl)methylene)hydrazone",15332-10-2,6604893,(E)-1-(3-fluorophenyl)-N-[(E)-(3-fluorophenyl)methylideneamino]methanimine,C1=CC(=CC(=C1)F)/C=N/N=C/C2=CC(=CC=C2)F,"InChI=1S/C14H10F2N2/c15-13-5-1-3-11(7-13)9-17-18-10-12-4-2-6-14(16)8-12/h1-10H/b17-9+,18-10+",YYMCVDNIIFNDJK-BEQMOXJMSA-N,C14H10F2N2,244.24,244.0812047,3.5,24.7,274,0,0,4,3,18,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZALDEHYDE, 2-HYDROXY-, [(2-HYDROXYPHENYL)METHYLENE]HYDRAZONE",000959-36-4,135400567,2-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol,C1=CC=C(C(=C1)/C=N/N=C/C2=CC=CC=C2O)O,"InChI=1S/C14H12N2O2/c17-13-7-3-1-5-11(13)9-15-16-10-12-6-2-4-8-14(12)18/h1-10,17-18H/b15-9+,16-10+",STOVYWBRBMYHPC-KAVGSWPWSA-N,C14H12N2O2,240.26,240.0898776,2.6,65.2,274,0,2,4,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANONE, 1-PHENYL-, (1-PHENYLETHYLIDENE)HYDRAZONE",000729-43-1,95250,1-phenyl-N-(1-phenylethylideneamino)ethanimine,CC(=NN=C(C)C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C16H16N2/c1-13(15-9-5-3-6-10-15)17-18-14(2)16-11-7-4-8-12-16/h3-12H,1-2H3",MOKMQSIJAHPSQX-UHFFFAOYSA-N,C16H16N2,236.31,236.1313485,3.7,24.7,273,0,0,2,3,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"4-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-3-PHENYL-",001136-45-4,14343,"5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid",CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)O,"InChI=1S/C11H9NO3/c1-7-9(11(13)14)10(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)",PENHKTNQUJMHIR-UHFFFAOYSA-N,C11H9NO3,203.19,203.0582431,2,63.3,238,0,1,4,2,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-ISOXAZOLECARBOXYLIC ACID, 3-(2-CHLOROPHENYL)-5-METHYL-",023598-72-3,90203,"3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid",CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)O,"InChI=1S/C11H8ClNO3/c1-6-9(11(14)15)10(13-16-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,14,15)",UVEPOHNXGXVOJE-UHFFFAOYSA-N,C11H8ClNO3,237.64,237.0192708,2.6,63.3,274,0,1,4,2,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-ISOXAZOLECARBONYL CHLORIDE, 3-(2,6-DICHLOROPHENYL)-5-METHYL-",004462-55-9,78212,"3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride",CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)Cl,"InChI=1S/C11H6Cl3NO2/c1-5-8(11(14)16)10(15-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3",IZQGELJKDARDMZ-UHFFFAOYSA-N,C11H6Cl3NO2,290.5,288.946412,4.2,43.1,292,0,0,3,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4-ISOXAZOLECARBONYL CHLORIDE, 5-METHYL-3-PHENYL-",016883-16-2,85624,"5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride",CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)Cl,"InChI=1S/C11H8ClNO2/c1-7-9(11(12)14)10(13-15-7)8-5-3-2-4-6-8/h2-6H,1H3",HXEVQMXCHCDPSO-UHFFFAOYSA-N,C11H8ClNO2,221.64,221.0243562,2.9,43.1,241,0,0,3,2,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"4-ISOXAZOLECARBONYL CHLORIDE, 3-(2-CHLOROPHENYL)-5-METHYL-",025629-50-9,96590,"3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride",CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)Cl,"InChI=1S/C11H7Cl2NO2/c1-6-9(11(13)15)10(14-16-6)7-4-2-3-5-8(7)12/h2-5H,1H3",BPDBLWKFVXHGFT-UHFFFAOYSA-N,C11H7Cl2NO2,256.08,254.9853839,3.6,43.1,275,0,0,3,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"Isoxazole, 5-bromomethyl-3-(p-chlorophenyl)-",5300-92-5,21369,"5-(bromomethyl)-3-(4-chlorophenyl)-1,2-oxazole",C1=CC(=CC=C1C2=NOC(=C2)CBr)Cl,"InChI=1S/C10H7BrClNO/c11-6-9-5-10(13-14-9)7-1-3-8(12)4-2-7/h1-5H,6H2",YGCXXYLQISERCR-UHFFFAOYSA-N,C10H7BrClNO,272.52,270.93995,3.3,26,185,0,0,2,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-ISOXAZOLECARBOXYLIC ACID, 3-(2,6-DICHLOROPHENYL)-5-METHYL-",003919-76-4,77521,"3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid",CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)O,"InChI=1S/C11H7Cl2NO3/c1-5-8(11(15)16)10(14-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3,(H,15,16)",WQXUUMUOERZZAE-UHFFFAOYSA-N,C11H7Cl2NO3,272.08,270.9802985,3.2,63.3,292,0,1,4,2,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIAZOLAM,028911-01-5,5556,"8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine",CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl,"InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3",JOFWLTCLBGQGBO-UHFFFAOYSA-N,C17H12Cl2N4,343.2,342.0439018,2.4,43.1,472,0,0,3,1,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine-4-acetamide, 6-(4-chlorophenyl)-N-ethyl-8-methoxy-1-methyl-, (4S)-",1260907-17-2,46943432,"2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide",CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C,"InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1",AAAQFGUYHFJNHI-SFHVURJKSA-N,C22H22ClN5O2,423.9,423.1462027,2.9,81.4,639,0,1,5,5,30,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,0
ALPRAZOLAM,028981-97-7,2118,"8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine",CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4,"InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3",VREFGVBLTWBCJP-UHFFFAOYSA-N,C17H13ClN4,308.8,308.0828741,2.1,43.1,434,0,0,3,1,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOTHIAZOLIUM, 5,6-DIMETHOXY-2-METHYL-3-(3-SULFOPROPYL)-, INNER SALT",063148-95-8,113072,"3-(5,6-dimethoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate",CC1=[N+](C2=CC(=C(C=C2S1)OC)OC)CCCS(=O)(=O)[O-],"InChI=1S/C13H17NO5S2/c1-9-14(5-4-6-21(15,16)17)10-7-11(18-2)12(19-3)8-13(10)20-9/h7-8H,4-6H2,1-3H3",FZYBQTUSQBICMA-UHFFFAOYSA-N,C13H17NO5S2,331.4,331.054815,1.9,116,425,0,0,6,5,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOTHIAZOLIUM, 6-METHOXY-2,5-DIMETHYL-3-(3-SULFOPROPYL)-, INNER SALT",063815-97-4,114281,"3-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate",CC1=CC2=C(C=C1OC)SC(=[N+]2CCCS(=O)(=O)[O-])C,"InChI=1S/C13H17NO4S2/c1-9-7-11-13(8-12(9)18-3)19-10(2)14(11)5-4-6-20(15,16)17/h7-8H,4-6H2,1-3H3",KUKSDGDMBLTVEW-UHFFFAOYSA-N,C13H17NO4S2,315.4,315.0599004,2.3,107,409,0,0,5,4,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-(CARBOXYMETHYL)BENZOTHIAZOLIUM BROMIDE,074385-09-4,13107838,"2-(1,3-benzothiazol-3-ium-3-yl)acetic acid bromide",C1=CC=C2C(=C1)[N+](=CS2)CC(=O)O.[Br-],"InChI=1S/C9H7NO2S.BrH/c11-9(12)5-10-6-13-8-4-2-1-3-7(8)10;/h1-4,6H,5H2;1H",UEINBJHBQWSAHA-UHFFFAOYSA-N,C9H8BrNO2S,274.14,272.94591,,69.4,210,0,1,4,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOTHIAZOLIUM, 3-ETHYL-2-METHYL-, IODIDE",003119-93-5,2729630,"3-ethyl-2-methyl-1,3-benzothiazol-3-ium iodide",CC[N+]1=C(SC2=CC=CC=C21)C.[I-],"InChI=1S/C10H12NS.HI/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;/h4-7H,3H2,1-2H3;1H/q+1;/p-1",HWFCSPDBFXYFKY-UHFFFAOYSA-M,C10H12INS,305.18,304.97352,,32.1,160,0,0,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOTHIAZOLIUM, 3-METHYL-, IODIDE",002786-31-4,2735081,"3-methyl-1,3-benzothiazol-3-ium iodide",C[N+]1=CSC2=CC=CC=C21.[I-],"InChI=1S/C8H8NS.HI/c1-9-6-10-8-5-3-2-4-7(8)9;/h2-6H,1H3;1H/q+1;/p-1",SGYIRNXZLWJMCR-UHFFFAOYSA-M,C8H8INS,277.13,276.94222,,32.1,126,0,0,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1,2,4-Triazole, 1-(2-(2,4-dichlorophenyl)pentyl)-",066246-88-6,91693,"1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole",CCCC(CN1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl,"InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3",WKBPZYKAUNRMKP-UHFFFAOYSA-N,C13H15Cl2N3,284.18,283.0643029,4.4,30.7,252,0,0,2,5,18,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"(R*,R*)-(+-)-BETA-((4-CHLOROPHENYL)METHYL)-ALPHA-(1,1-DIMETHYLETHYL)-1H-1,2,4-TRIAZOLE-1-ETHANOL",076738-62-0,73671,"(2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol",CC(C)(C)[C@@H]([C@H](CC1=CC=C(C=C1)Cl)N2C=NC=N2)O,"InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3/t13-,14+/m0/s1",RMOGWMIKYWRTKW-UONOGXRCSA-N,C15H20ClN3O,293.79,293.12949,3.2,50.9,300,0,1,3,5,20,,,1,0,1,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
"1H-1,2,4-Triazole-1-ethanol, alpha-butyl-alpha-(2,4-dichlorophenyl)-, (+-)-",079983-71-4,66461,"2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol",CCCCC(CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O,"InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3",STMIIPIFODONDC-UHFFFAOYSA-N,C14H17Cl2N3O,314.2,313.0748676,3.7,50.9,308,0,1,3,6,20,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1H-1,2,4-Triazole, 1-(2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl)-",112281-77-3,80277,"1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole",C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F,"InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2",LQDARGUHUSPFNL-UHFFFAOYSA-N,C13H11Cl2F4N3O,372.14,371.02153,4.4,39.9,381,0,0,7,7,23,,Decomposes at 240 °C without boiling,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-1,2,4-Triazole-1-ethanol, alpha-(4-fluorophenyl)-alpha-((trimethylsilyl)methyl)-",149508-90-7,10085783,"2-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol",C[Si](C)(C)CC(CN1C=NC=N1)(C2=CC=C(C=C2)F)O,"InChI=1S/C14H20FN3OSi/c1-20(2,3)9-14(19,8-18-11-16-10-17-18)12-4-6-13(15)7-5-12/h4-7,10-11,19H,8-9H2,1-3H3",YABFPHSQTSFWQB-UHFFFAOYSA-N,C14H20FN3OSi,293.41,293.135967,,50.9,318,0,1,4,5,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MYCLOBUTANIL,088671-89-0,6336,"2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile",CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)Cl,"InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3",HZJKXKUJVSEEFU-UHFFFAOYSA-N,C15H17ClN4,288.77,288.1141743,2.9,54.5,345,0,0,3,6,20,,202 to 208 °C at 1 mm Hg,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
"1H-1,2,4-Triazole-1-ethanol, beta-((2,4-dichlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-,(R*,R*)-(+-)-",75736-33-3,53309,"1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol",CC(C)(C)C(C(CC1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2)O,"InChI=1S/C15H19Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-5,7-9,13-14,21H,6H2,1-3H3",URDNHJIVMYZFRT-UHFFFAOYSA-N,C15H19Cl2N3O,328.2,327.0905176,3.8,50.9,337,0,1,3,5,21,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-Quinolinecarboxylic acid, 1,4-dihydro-6,8-difluoro-1-ethyl-7-(3-methyl-1-piperazinyl)-4-oxo-",98079-51-7,3948,"1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid",CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C(=O)O,"InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)",ZEKZLJVOYLTDKK-UHFFFAOYSA-N,C17H19F2N3O3,351.35,351.1394478,-0.8,72.9,585,0,2,8,3,25,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Quinolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-, methanesulfonate, hydrate (1:1:2)",149676-40-4,6917670,1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid;dihydrate,CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O.CS(=O)(=O)O.O.O,"InChI=1S/C17H20FN3O3.CH4O3S.2H2O/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21;1-5(2,3)4;;/h8-10H,3-7H2,1-2H3,(H,23,24);1H3,(H,2,3,4);2*1H2",LEULAXMUNMRLPW-UHFFFAOYSA-N,C18H28FN3O8S,465.5,465.1581142,,129,638,0,4,12,3,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-Quinolinecarboxylic acid, 1,4-dihydro-1-ethyl-6-fluoro-4-oxo-7-(1-piperaziny",070458-96-7,4539,1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid,CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O,"InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)",OGJPXUAPXNRGGI-UHFFFAOYSA-N,C16H18FN3O3,319.33,319.1332196,-1,72.9,519,0,2,7,3,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
CEFALEXIN HYDRATE,023325-78-2,62921,"(6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate",CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)SC1)C(=O)O.O,"InChI=1S/C16H17N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H2/t10-,11-,15-;/m1./s1",AVGYWQBCYZHHPN-CYJZLJNKSA-N,C16H19N3O5S,365.4,365.1045419,,139,600,0,4,7,4,25,,,0,0,0,1,0,0,0,0,0,0,1,0,0,0,1,0,0,1,0,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((amino(4-hydroxyphen",050370-12-2,47965,"(6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)SC1)C(=O)O,"InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1",BOEGTKLJZSQCCD-UEKVPHQBSA-N,C16H17N3O5S,363.4,363.0888918,-2.1,158,629,0,4,7,4,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
CEFALEXIN,015686-71-2,27447,"(6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)SC1)C(=O)O,"InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1",ZAIPMKNFIOOWCQ-UEKVPHQBSA-N,C16H17N3O4S,347.4,347.0939772,0.6,138,600,0,3,6,4,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(2-amino-2-phenylacet",003577-01-3,19150,"(6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)SC1)C(=O)O,"InChI=1S/C18H19N3O6S/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26)/t12-,13-,17-/m1/s1",FUBBGQLTSCSAON-PBFPGSCMSA-N,C18H19N3O6S,405.4,405.0994565,-3,164,718,0,3,8,7,28,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((amino(4-hydroxyphenyl)acetyl)amino)-3-methyl-8-oxo-, monohydrate, (6R-(6-alpha,7-beta(R*)))-",66592-87-8,47964,"(6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate",CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)SC1)C(=O)O.O,"InChI=1S/C16H17N3O5S.H2O/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8;/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24);1H2/t10-,11-,15-;/m1./s1",NBFNMSULHIODTC-CYJZLJNKSA-N,C16H19N3O6S,381.4,381.0994565,,159,629,0,5,8,4,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Benzamide, 2-chloro-N-(((4-(trifluoromethoxy)phenyl)amino)carbonyl)-",64628-44-0,47445,2-chloro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide,C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC=C(C=C2)OC(F)(F)F)Cl,"InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)",XAIPTRIXGHTTNT-UHFFFAOYSA-N,C15H10ClF3N2O3,358.7,358.0332044,5.6,67.4,454,0,2,6,3,24,,,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, N-(((3,5-dichloro-2,4-difluorophenyl)amino)carbonyl)-2,6-difluoro-",83121-18-0,91734,"N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide",C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2F)Cl)F)Cl)F,"InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)",CJDWRQLODFKPEL-UHFFFAOYSA-N,C14H6Cl2F4N2O2,381.1,379.9742455,4.9,58.2,478,0,2,6,2,24,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, N-(((2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl)amino)carbonyl)-2,6-difluoro-",103055-07-8,71777,"N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluorobenzamide",C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2Cl)OC(C(C(F)(F)F)F)(F)F)Cl)F,"InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)",PWPJGUXAGUPAHP-UHFFFAOYSA-N,C17H8Cl2F8N2O3,511.1,509.9784228,6.4,67.4,677,0,2,11,5,32,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Benzamide, N-(((3-chloro-4-(1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy)phenyl)amino)carbonyl)-2,6-difluoro-",116714-46-6,93541,"N-[[3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide",C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2)OC(C(OC(F)(F)F)F)(F)F)Cl)F,"InChI=1S/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30)",NJPPVKZQTLUDBO-UHFFFAOYSA-N,C17H9ClF8N2O4,492.7,492.0123098,5.8,76.7,661,0,2,12,6,32,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
NOVIFLUMURON,121451-02-3,9828359,"N-[[3,5-dichloro-2-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluorobenzamide",C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2F)Cl)OC(C(C(F)(F)F)F)(F)F)Cl)F,"InChI=1S/C17H7Cl2F9N2O3/c18-5-4-8(29-15(32)30-13(31)9-6(20)2-1-3-7(9)21)11(22)10(19)12(5)33-17(27,28)14(23)16(24,25)26/h1-4,14H,(H2,29,30,31,32)",YTYGAJLZOJPJGH-UHFFFAOYSA-N,C17H7Cl2F9N2O3,529.1,527.9690009,6.5,67.4,708,0,2,12,5,33,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"1-PROPANONE, 1,3-DIPHENYL-",001083-30-3,64802,"1,3-diphenylpropan-1-one",C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2,"InChI=1S/C15H14O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2",QGGZBXOADPVUPN-UHFFFAOYSA-N,C15H14O,210.27,210.1044651,3.5,17.1,209,0,0,1,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-Propanone, 3-phenyl-1-(2,4,6-trihydroxyphenyl)-",1088-08-0,1226045,"3-phenyl-1-(2,4,6-trihydroxyphenyl)propan-1-one",C1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2O)O)O,"InChI=1S/C15H14O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-5,8-9,16,18-19H,6-7H2",QWQGMMRHTWIOGH-UHFFFAOYSA-N,C15H14O4,258.27,258.0892089,3,77.8,287,0,3,4,4,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propiophenone, 2'-(2-hydroxy-3-(propylamino)propoxy)-3-phenyl-, hydrochloride",34183-22-7,36708,1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride,CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O.Cl,"InChI=1S/C21H27NO3.ClH/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17;/h3-11,18,22-23H,2,12-16H2,1H3;1H",XWIHRGFIPXWGEF-UHFFFAOYSA-N,C21H28ClNO3,377.9,377.1757714,,58.6,368,0,3,4,11,26,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-PROPANONE, 2,3-DIBROMO-1,3-DIPHENYL-",000611-91-6,95342,"2,3-dibromo-1,3-diphenylpropan-1-one",C1=CC=C(C=C1)C(C(C(=O)C2=CC=CC=C2)Br)Br,"InChI=1S/C15H12Br2O/c16-13(11-7-3-1-4-8-11)14(17)15(18)12-9-5-2-6-10-12/h1-10,13-14H",LYAGBKGGYRLVTR-UHFFFAOYSA-N,C15H12Br2O,368.06,367.92344,4.7,17.1,268,0,0,1,4,18,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
BENZO-15-CROWN-5,014098-44-3,84197,"2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene",C1COCCOC2=CC=CC=C2OCCOCCO1,"InChI=1S/C14H20O5/c1-2-4-14-13(3-1)18-11-9-16-7-5-15-6-8-17-10-12-19-14/h1-4H,5-12H2",FNEPSTUXZLEUCK-UHFFFAOYSA-N,C14H20O5,268.3,268.1310737,0.9,46.2,202,0,0,5,0,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4'-NITROBENZO-15-CROWN-5,060835-69-0,143747,"17-nitro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene",C1COCCOC2=C(C=C(C=C2)[N+](=O)[O-])OCCOCCO1,"InChI=1S/C14H19NO7/c16-15(17)12-1-2-13-14(11-12)22-10-8-20-6-4-18-3-5-19-7-9-21-13/h1-2,11H,3-10H2",XIWRBQVYCZCEPG-UHFFFAOYSA-N,C14H19NO7,313.3,313.116152,0.2,92,323,0,0,7,0,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4'-AMINOBENZO-15-CROWN 5-ETHER,060835-71-4,2724797,"2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-amine",C1COCCOC2=C(C=C(C=C2)N)OCCOCCO1,"InChI=1S/C14H21NO5/c15-12-1-2-13-14(11-12)20-10-8-18-6-4-16-3-5-17-7-9-19-13/h1-2,11H,3-10,15H2",CQNGAZMLFIMLQN-UHFFFAOYSA-N,C14H21NO5,283.32,283.1419728,-0.3,72.2,254,0,1,6,0,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4'-CARBOXYBENZO-15-CROWN 5-ETHER,056683-55-7,2724800,"2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carboxylic acid",C1COCCOC2=C(C=C(C=C2)C(=O)O)OCCOCCO1,"InChI=1S/C15H20O7/c16-15(17)12-1-2-13-14(11-12)22-10-8-20-6-4-18-3-5-19-7-9-21-13/h1-2,11H,3-10H2,(H,16,17)",FBNLTQGIRRAGRY-UHFFFAOYSA-N,C15H20O7,312.31,312.120903,-0.1,83.5,323,0,1,7,1,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanone, 1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-",41757-95-3,3038641,"1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanone",CC(=O)C1=CC2=C(C=C1)OCCOCCOCCOCCO2,"InChI=1S/C16H22O6/c1-13(17)14-2-3-15-16(12-14)22-11-9-20-7-5-18-4-6-19-8-10-21-15/h2-3,12H,4-11H2,1H3",XNJYHEGDUAQGEE-UHFFFAOYSA-N,C16H22O6,310.34,310.1416384,0.1,63.2,322,0,0,6,1,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,4,7,10,13-Benzopentaoxacyclopentadecin, 2,3,5,6,8,9,11,12-octahydro-15-bromo-",60835-72-5,2724799,"17-bromo-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene",C1COCCOC2=C(C=C(C=C2)Br)OCCOCCO1,"InChI=1S/C14H19BrO5/c15-12-1-2-13-14(11-12)20-10-8-18-6-4-16-3-5-17-7-9-19-13/h1-2,11H,3-10H2",GPKJNSIFVWMEEI-UHFFFAOYSA-N,C14H19BrO5,347.2,346.04159,1.1,46.2,254,0,0,5,0,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
MENTHYL ANTHRANILATE,000134-09-8,8633,(5-methyl-2-propan-2-ylcyclohexyl) 2-aminobenzoate,CC1CCC(C(C1)OC(=O)C2=CC=CC=C2N)C(C)C,"InChI=1S/C17H25NO2/c1-11(2)13-9-8-12(3)10-16(13)20-17(19)14-6-4-5-7-15(14)18/h4-7,11-13,16H,8-10,18H2,1-3H3",SOXAGEOHPCXXIO-UHFFFAOYSA-N,C17H25NO2,275.4,275.188529,5.1,52.3,329,0,1,3,4,20,,177-179 ºC,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BENZENEDICARBOXYLIC ACID, MONO(DIMETHYLCYCLOHEXYL) ESTER",001322-94-7,73988,"2-(4,4-dimethylcyclohexyl)oxycarbonylbenzoic acid",CC1(CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)O)C,"InChI=1S/C16H20O4/c1-16(2)9-7-11(8-10-16)20-15(19)13-6-4-3-5-12(13)14(17)18/h3-6,11H,7-10H2,1-2H3,(H,17,18)",GPIZVEQCOQOIPD-UHFFFAOYSA-N,C16H20O4,276.33,276.1361591,3.6,63.6,365,0,1,4,4,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,2-BENZENEDICARBOXYLIC ACID, BUTYL CYCLOHEXYL ESTER",000084-64-0,6779,"1-O-butyl 2-O-cyclohexyl benzene-1,2-dicarboxylate",CCCCOC(=O)C1=CC=CC=C1C(=O)OC2CCCCC2,"InChI=1S/C18H24O4/c1-2-3-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-9-5-4-6-10-14/h7-8,11-12,14H,2-6,9-10,13H2,1H3",BHKLONWXRPJNAE-UHFFFAOYSA-N,C18H24O4,304.4,304.1674592,5.3,52.6,360,0,0,4,8,22,"greater than 200 °F (NTP, 1992)",189-222 °C at 5 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,1,0,0
"BENZOIC ACID, 2-HYDROXY-, CYCLOHEXYL ESTER",025485-88-5,101330,cyclohexyl 2-hydroxybenzoate,C1CCC(CC1)OC(=O)C2=CC=CC=C2O,"InChI=1S/C13H16O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h4-5,8-10,14H,1-3,6-7H2",NUQDJSMHGCTKNL-UHFFFAOYSA-N,C13H16O3,220.26,220.1099444,4.2,46.5,233,0,1,3,3,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
MENTHYL SALICYLATE,000089-46-3,20055232,"[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxybenzoate",C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC=CC=C2O)C(C)C,"InChI=1S/C17H24O3/c1-11(2)13-9-8-12(3)10-16(13)20-17(19)14-6-4-5-7-15(14)18/h4-7,11-13,16,18H,8-10H2,1-3H3/t12-,13+,16-/m1/s1",SJOXEWUZWQYCGL-DVOMOZLQSA-N,C17H24O3,276.4,276.1725446,5.4,46.5,326,0,1,3,4,20,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phthalic acid, monocyclohexyl ester",7517-36-4,165618,2-cyclohexyloxycarbonylbenzoic acid,C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)O,"InChI=1S/C14H16O4/c15-13(16)11-8-4-5-9-12(11)14(17)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,15,16)",PMDKYLLIOLFQPO-UHFFFAOYSA-N,C14H16O4,248.27,248.104859,2.9,63.6,307,0,1,4,4,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Propanediol, 2-(2-(2-amino-9H-purin-9-yl)ethyl)-, diacetate (ester)",104227-87-4,3324,[2-(acetyloxymethyl)-4-(2-aminopurin-9-yl)butyl] acetate,CC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)COC(=O)C,"InChI=1S/C14H19N5O4/c1-9(20)22-6-11(7-23-10(2)21)3-4-19-8-17-12-5-16-14(15)18-13(12)19/h5,8,11H,3-4,6-7H2,1-2H3,(H2,15,16,18)",GGXKWVWZWMLJEH-UHFFFAOYSA-N,C14H19N5O4,321.33,321.1437041,0,122,404,0,1,8,9,23,,,0,0,0,0,0,1,0,1,0,0,1,0,0,1,0,0,0,0,0,0
"Propanoic acid, 2,2-dimethyl-, (((2-(6-amino-9H-purin-9-yl)ethoxy)methyl)phosphinylidene)bis(oxymethylene) ester",142340-99-6,60871,"[2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate",CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C(N=CN=C21)N)OCOC(=O)C(C)(C)C,"InChI=1S/C20H32N5O8P/c1-19(2,3)17(26)30-11-32-34(28,33-12-31-18(27)20(4,5)6)13-29-8-7-25-10-24-14-15(21)22-9-23-16(14)25/h9-10H,7-8,11-13H2,1-6H3,(H2,21,22,23)",WOZSCQDILHKSGG-UHFFFAOYSA-N,C20H32N5O8P,501.5,501.19885,1.8,167,705,0,1,12,15,34,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"6H-Purin-6-one, 1,9-dihydro-2-amino-9-((2-hydroxyethoxy)methyl)-, monosodium s",069657-51-8,23665721,sodium 2-amino-9-(2-hydroxyethoxymethyl)purin-6-olate,C1=NC2=C(N1COCCO)N=C(N=C2[O-])N.[Na+],"InChI=1S/C8H11N5O3.Na/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14;/h3,14H,1-2,4H2,(H3,9,11,12,15);/q;+1/p-1",RMLUKZWYIKEASN-UHFFFAOYSA-M,C8H10N5NaO3,247.19,247.0681335,,122,237,0,2,7,4,17,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"1,9-DIHYDRO-2-AMINO-9-((2-HDYROXY-1-(HYDROXYMETHYL)ETHOXY)METHYL)-6H-PURIN-6-ONE MONOSODIUM SALT",107910-75-8,23700083,"sodium 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)purin-6-olate",C1=NC2=C(N1COC(CO)CO)N=C(N=C2[O-])N.[Na+],"InChI=1S/C9H13N5O4.Na/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16;/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17);/q;+1/p-1",JJICLMJFIKGAAU-UHFFFAOYSA-M,C9H12N5NaO4,277.21,277.0786982,,142,273,0,3,8,5,19,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Phosphonic acid, (((1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy)methyl)-, bis(1-methylethoxycarbonyloxymethyl) ester, (2E)-2-butenedioate (1:1)",202138-50-9,6398764,[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;(E)-but-2-enedioic acid,C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C.C(=C/C(=O)O)\C(=O)O,"InChI=1S/C19H30N5O10P.C4H4O4/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24;5-3(6)1-2-4(7)8/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1+/t14-;/m1./s1",VCMJCVGFSROFHV-WZGZYPNHSA-N,C23H34N5O14P,635.5,635.1839878,,260,817,0,3,18,19,43,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0
"s-Triazine, 2-amino-4-(p-chloroanilino)-",500-42-5,10374,"2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine",C1=CC(=CC=C1NC2=NC=NC(=N2)N)Cl,"InChI=1S/C9H8ClN5/c10-6-1-3-7(4-2-6)14-9-13-5-12-8(11)15-9/h1-5H,(H3,11,12,13,14,15)",YRZQHIVOIFJEEE-UHFFFAOYSA-N,C9H8ClN5,221.64,221.046823,2.1,76.7,195,0,2,5,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Melamine, N(sup 2)-(p-arsenosophenyl)-",21840-08-4,30830,"2-N-(4-arsorosophenyl)-1,3,5-triazine-2,4,6-triamine",C1=CC(=CC=C1NC2=NC(=NC(=N2)N)N)[As]=O,"InChI=1S/C9H9AsN6O/c11-7-14-8(12)16-9(15-7)13-6-3-1-5(10-17)2-4-6/h1-4H,(H5,11,12,13,14,15,16)",YDKGKLBKFOIXPU-UHFFFAOYSA-N,C9H9AsN6O,292.13,292.005378,,120,250,0,3,7,2,17,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ANILAZINE [4,6-DICHLORO-N-(2-CHLOROPHENYL)-1,3,5-TRIAZIN-2-AMINE]",000101-05-3,7541,"4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine",C1=CC=C(C(=C1)NC2=NC(=NC(=N2)Cl)Cl)Cl,"InChI=1S/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)",IMHBYKMAHXWHRP-UHFFFAOYSA-N,C9H5Cl3N4,275.5,273.957979,3,50.7,221,0,1,4,2,16,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, 4-[(4,6-DICHLORO-1,3,5-TRIAZIN-2-YL)AMINO]-, MONOSODIUM",004156-21-2,23678877,"sodium 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzenesulfonate",C1=CC(=CC=C1NC2=NC(=NC(=N2)Cl)Cl)S(=O)(=O)[O-].[Na+],"InChI=1S/C9H6Cl2N4O3S.Na/c10-7-13-8(11)15-9(14-7)12-5-1-3-6(4-2-5)19(16,17)18;/h1-4H,(H,16,17,18)(H,12,13,14,15);/q;+1/p-1",BAINTIMFWTXLNC-UHFFFAOYSA-M,C9H5Cl2N4NaO3S,343.12,341.9357109,,116,392,0,1,7,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
"BENZENESULFONIC ACID, 4-[[4-CHLORO-6-(1-METHYLETHOXY)-1,3,5-TRIAZIN-2-YL]AMINO",068413-55-8,23668692,"sodium 4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]benzenesulfonate",CC(C)OC1=NC(=NC(=N1)NC2=CC=C(C=C2)S(=O)(=O)[O-])Cl.[Na+],"InChI=1S/C12H13ClN4O4S.Na/c1-7(2)21-12-16-10(13)15-11(17-12)14-8-3-5-9(6-4-8)22(18,19)20;/h3-7H,1-2H3,(H,18,19,20)(H,14,15,16,17);/q;+1/p-1",PCFGYUGKFQKSFT-UHFFFAOYSA-M,C12H12ClN4NaO4S,366.76,366.016548,,126,456,0,1,8,5,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"s-Triazine, 2-amino-4-anilino-6-methyl-",7426-35-9,23908,"6-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine",CC1=NC(=NC(=N1)NC2=CC=CC=C2)N,"InChI=1S/C10H11N5/c1-7-12-9(11)15-10(13-7)14-8-5-3-2-4-6-8/h2-6H,1H3,(H3,11,12,13,14,15)",AMHZCJNIRZHOAJ-UHFFFAOYSA-N,C10H11N5,201.23,201.1014454,1.9,76.7,192,0,2,5,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Isobenzofurancarbonitrile, 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-, hydrochloride",85118-27-0,3020376,1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrochloride,CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Cl,"InChI=1S/C20H21FN2O.ClH/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;/h4-9,12H,3,10-11,14H2,1-2H3;1H",FXSXPIKCGLXHAW-UHFFFAOYSA-N,C20H22ClFN2O,360.9,360.1404692,,36.3,466,0,1,4,5,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-Isobenzofurancarbonitrile, 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-, (1S)-, ethanedioate (1:1)",219861-08-2,146571,(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;oxalic acid,CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O,"InChI=1S/C20H21FN2O.C2H2O4/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;3-1(4)2(5)6/h4-9,12H,3,10-11,14H2,1-2H3;(H,3,4)(H,5,6)/t20-;/m0./s1",KTGRHKOEFSJQNS-BDQAORGHSA-N,C22H23FN2O5,414.4,414.1591,,111,537,0,2,8,6,30,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Phthalanpropylamine, 1-phenyl-N,3,3-trimethyl-, hydrochloride",7013-41-4,71176,"3-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)-N-methylpropan-1-amine;hydrochloride",CC1(C2=CC=CC=C2C(O1)(CCCNC)C3=CC=CC=C3)C.Cl,"InChI=1S/C20H25NO.ClH/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16;/h4-8,10-13,21H,9,14-15H2,1-3H3;1H",JZXJIRQPHHWYGC-UHFFFAOYSA-N,C20H26ClNO,331.9,331.1702921,,21.3,361,0,2,2,5,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-Isobenzofurancarbonitrile, 1,3-dihydro-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-",59729-33-8,2771,1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile,CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F,"InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3",WSEQXVZVJXJVFP-UHFFFAOYSA-N,C20H21FN2O,324.4,324.1637915,3.2,36.3,466,0,0,4,5,24,,347-358,0,1,1,1,0,0,1,1,0,0,0,0,0,1,0,0,1,1,0,1
"5-Isobenzofurancarbonitrile, 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-, (1S)-",128196-01-0,146570,(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile,CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F,"InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1",WSEQXVZVJXJVFP-FQEVSTJZSA-N,C20H21FN2O,324.4,324.1637915,3.2,36.3,466,0,0,4,5,24,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"4H-1-Benzopyran-4-one, 7-hydroxy-3-phenoxy-",87891-60-9,5338633,7-hydroxy-3-phenoxychromen-4-one,C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)O,"InChI=1S/C15H10O4/c16-10-6-7-12-13(8-10)18-9-14(15(12)17)19-11-4-2-1-3-5-11/h1-9,16H",RQYBXCFFANHJGM-UHFFFAOYSA-N,C15H10O4,254.24,254.0579088,2.9,55.8,370,0,1,4,2,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-1-Benzopyran-4-one, 7-(acetyloxy)-2-methyl-3-phenoxy-",137460-60-7,746326,(2-methyl-4-oxo-3-phenoxychromen-7-yl) acetate,CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C)OC3=CC=CC=C3,"InChI=1S/C18H14O5/c1-11-18(23-13-6-4-3-5-7-13)17(20)15-9-8-14(22-12(2)19)10-16(15)21-11/h3-10H,1-2H3",GSHNBUJWHGCPFS-UHFFFAOYSA-N,C18H14O5,310.3,310.0841235,3.3,61.8,504,0,0,5,4,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 4-((7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)oxy)-, methyl ester",137988-05-7,5400220,methyl 4-(7-hydroxy-4-oxochromen-3-yl)oxybenzoate,COC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)O,"InChI=1S/C17H12O6/c1-21-17(20)10-2-5-12(6-3-10)23-15-9-22-14-8-11(18)4-7-13(14)16(15)19/h2-9,18H,1H3",AOEGZILUCAJRCF-UHFFFAOYSA-N,C17H12O6,312.27,312.0633881,2.8,82.1,491,0,1,6,4,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(2,4-dichlorophenoxy)-",137988-11-5,984008,"[3-(2,4-dichlorophenoxy)-4-oxochromen-7-yl] acetate",CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=C(C=C(C=C3)Cl)Cl,"InChI=1S/C17H10Cl2O5/c1-9(20)23-11-3-4-12-15(7-11)22-8-16(17(12)21)24-14-5-2-10(18)6-13(14)19/h2-8H,1H3",TXWCSHUEGWZAAH-UHFFFAOYSA-N,C17H10Cl2O5,365.2,363.9905288,4.3,61.8,535,0,0,5,4,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DOXYCYCLINE HYDROCHLORIDE,010592-13-9,54685920,"(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride",C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl,"InChI=1S/C22H24N2O8.ClH/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31);1H/t7-,10+,14+,15-,17-,22-;/m0./s1",PTNZGHXUZDHMIQ-CVHRZJFOSA-N,C22H25ClN2O8,480.9,480.1299435,,182,956,0,7,9,2,33,,,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
DOXYCYCLINE MONOHYDRATE,017086-28-1,54684461,"(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrate",C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.O,"InChI=1S/C22H24N2O8.H2O/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31);1H2/t7-,10+,14+,15-,17-,22-;/m0./s1",FZKWRPSUNUOXKJ-CVHRZJFOSA-N,C22H26N2O9,462.4,462.1638304,,183,956,0,7,10,2,33,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,1,0,1
"2-Naphthacenecarboxamide, 4-alpha-S-(dimethylamino)-1,4,4a-alpha-5,5a-alpha,6,",000564-25-0,54671203,"(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide",C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O,"InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1",SGKRLCUYIXIAHR-AKNGSSGZSA-N,C22H24N2O8,444.4,444.1532657,-0.7,182,956,0,6,9,2,32,,,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
CHLOROTETRACYCLINE HYDROCHLORIDE,000064-72-2,54682468,"(4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride",C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O.Cl,"InChI=1S/C22H23ClN2O8.ClH/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;/h4-5,7-8,15,26-27,30,32-33H,6H2,1-3H3,(H2,24,31);1H/t7-,8-,15-,21-,22-;/m0./s1",QYAPHLRPFNSDNH-MRFRVZCGSA-N,C22H24Cl2N2O8,515.3,514.0909711,,182,1010,0,7,9,2,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5",000079-57-2,54675779,"(4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide",C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O,"InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1",OWFJMIVZYSDULZ-PXOLEDIWSA-N,C22H24N2O9,460.4,460.1481804,-1.6,202,1000,0,7,10,2,33,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
AURIN TRICARBOXYLIC ACID,004431-00-9,2259,"5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid",C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O)C(=O)O)O,"InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)",GIXWDMTZECRIJT-UHFFFAOYSA-N,C22H14O9,422.3,422.063782,4.3,169,841,0,5,9,5,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ROSOLIC ACID,000603-45-2,5100,"4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one",C1=CC(=O)C=CC1=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O,"InChI=1S/C19H14O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20-21H",FYEHYMARPSSOBO-UHFFFAOYSA-N,C19H14O3,290.3,290.0942943,3.9,57.5,457,0,2,3,2,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CHROME AZUROL S,001667-99-8,54736314,"trisodium;5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2,6-dichloro-3-sulfonatophenyl)methyl]-3-methyl-2-oxidobenzoate",CC1=CC(=CC(=C1[O-])C(=O)[O-])C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3=C(C=CC(=C3Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+],"InChI=1S/C23H16Cl2O9S.3Na/c1-9-5-11(7-13(20(9)26)22(28)29)17(12-6-10(2)21(27)14(8-12)23(30)31)18-15(24)3-4-16(19(18)25)35(32,33)34;;;/h3-8,26H,1-2H3,(H,28,29)(H,30,31)(H,32,33,34);;;/q;3*+1/p-3",FUIZKNBTOOKONL-UHFFFAOYSA-K,C23H13Cl2Na3O9S,605.3,603.9350414,,183,1100,0,1,9,3,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CHROMAZUROL B,001796-92-5,54694373,"disodium;5-[(E)-(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2,6-dichlorophenyl)methyl]-3-methyl-2-oxidobenzoate",CC1=CC(=CC(=C1[O-])C(=O)[O-])/C(=C\2/C=C(C(=O)C(=C2)C(=O)O)C)/C3=C(C=CC=C3Cl)Cl.[Na+].[Na+],"InChI=1S/C23H16Cl2O6.2Na/c1-10-6-12(8-14(20(10)26)22(28)29)18(19-16(24)4-3-5-17(19)25)13-7-11(2)21(27)15(9-13)23(30)31;;/h3-9,26H,1-2H3,(H,28,29)(H,30,31);;/q;2*+1/p-2/b18-13+;;",JROAZQFKSSYEBL-YWABOPJLSA-L,C23H14Cl2Na2O6,503.2,501.9962821,,118,858,0,1,6,3,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ALUMINON,000569-58-4,13710524,"azane;5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid",C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O)C(=O)O)O.N.N.N,"InChI=1S/C22H14O9.3H3N/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31;;;/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31);3*1H3",AIPNSHNRCQOTRI-UHFFFAOYSA-N,C22H23N3O9,473.4,473.1434293,,172,841,0,8,12,5,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CIS-DECAHYDRONAPHTHALENE-D18,080997-90-6,2724146,"1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecadeuterionaphthalene",[2H]C1(C(C(C2(C(C(C(C(C2(C1([2H])[2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[2H])([2H])[2H])([2H])[2H])[2H],"InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/i1D2,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D,10D",NNBZCPXTIHJBJL-XRRAJICISA-N,C10H18,156.36,156.253832,4.6,0,80,0,0,0,0,10,,,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0
DECAHYDRONAPHTHALENE,000091-17-8,7044,"1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene",C1CCC2CCCCC2C1,"InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2",NNBZCPXTIHJBJL-UHFFFAOYSA-N,C10H18,138.25,138.1408506,4.6,0,80,0,0,0,0,10,"134 °F (USCG, 1999)","383 °F at 760 mmHg (USCG, 1999)",1,0,1,0,1,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
"2-NAPHTHALENOL, DECAHYDRO-5,5,8A-TRIMETHYL-, ACETATE",024238-95-7,91151,"(5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl) acetate",CC(=O)OC1CCC2C(CCCC2(C1)C)(C)C,"InChI=1S/C15H26O2/c1-11(16)17-12-6-7-13-14(2,3)8-5-9-15(13,4)10-12/h12-13H,5-10H2,1-4H3",RFEUMWKMELDWIM-UHFFFAOYSA-N,C15H26O2,238.37,238.1932801,4.5,26.3,308,0,0,2,2,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
DECAHYDRO-2-NAPHTHOL,000825-51-4,13216,"1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol",C1CCC2CC(CCC2C1)O,"InChI=1S/C10H18O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-11H,1-7H2",UPMAOXLCTXPPAG-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,2.9,20.2,133,0,1,1,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENOL, DECAHYDRO-, ACETATE",010519-11-6,25324,"1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl acetate",CC(=O)OC1CCC2CCCCC2C1,"InChI=1S/C12H20O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h10-12H,2-8H2,1H3",XKCLIPLFEJSOAT-UHFFFAOYSA-N,C12H20O2,196.29,196.1463299,3.5,26.3,212,0,0,2,2,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRAZENE,014097-21-3,135764855,1-amino-1-[(E)-2H-tetrazol-5-yldiazenyl]guanidine;hydrate,C1(=NNN=N1)/N=N/N(C(=N)N)N.O,"InChI=1S/C2H6N10.H2O/c3-1(4)12(5)11-8-2-6-9-10-7-2;/h5H2,(H3,3,4)(H,6,7,9,10);1H2/b11-8+;",ZLAGPWONHHROPL-YGCVIUNWSA-N,C2H8N10O,188.15,188.0882549,,159,184,0,5,8,3,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1H-TETRAZOLE,000288-94-8,67519,2H-tetrazole,C1=NNN=N1,"InChI=1S/CH2N4/c1-2-4-5-3-1/h1H,(H,2,3,4,5)",KJUGUADJHNHALS-UHFFFAOYSA-N,CH2N4,70.05,70.02794608,-0.5,54.5,26,0,1,3,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
5-AMINOTETRAZOLE MONOHYDRATE,004418-61-5,20467,2H-tetrazol-5-amine,C1(=NNN=N1)N,"InChI=1S/CH3N5/c2-1-3-5-6-4-1/h(H3,2,3,4,5,6)",ULRPISSMEBPJLN-UHFFFAOYSA-N,CH3N5,85.07,85.03884512,-0.9,80.5,43,0,2,4,0,6,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
5-ETHYLTHIO-1H-TETRAZOLE,089797-68-2,2758928,5-ethylsulfanyl-2H-tetrazole,CCSC1=NNN=N1,"InChI=1S/C3H6N4S/c1-2-8-3-4-6-7-5-3/h2H2,1H3,(H,4,5,6,7)",GONFBOIJNUKKST-UHFFFAOYSA-N,C3H6N4S,130.17,130.0313174,0.7,79.8,68,0,1,4,2,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, N-1H-tetrazol-5-yl-",6158-77-6,101248,N-(2H-tetrazol-5-yl)acetamide,CC(=O)NC1=NNN=N1,"InChI=1S/C3H5N5O/c1-2(9)4-3-5-7-8-6-3/h1H3,(H2,4,5,6,7,8,9)",JDVYHWSDERZPMV-UHFFFAOYSA-N,C3H5N5O,127.11,127.0494098,-1,83.6,115,0,2,4,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,3,4,5-PENTAMETHYLCYCLOPENTADIENE",004045-44-7,77667,"1,2,3,4,5-pentamethylcyclopenta-1,3-diene",CC1C(=C(C(=C1C)C)C)C,"InChI=1S/C10H16/c1-6-7(2)9(4)10(5)8(6)3/h6H,1-5H3",WQIQNKQYEUMPBM-UHFFFAOYSA-N,C10H16,136.23,136.1252005,1.9,0,192,0,0,0,0,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,2,3,4-TETRAMETHYLCYCLOPENTADIENE",004249-10-9,138163,"1,2,3,4-tetramethylcyclopenta-1,3-diene",CC1=C(C(=C(C1)C)C)C,"InChI=1S/C9H14/c1-6-5-7(2)9(4)8(6)3/h5H2,1-4H3",VNPQQEYMXYCAEZ-UHFFFAOYSA-N,C9H14,122.21,122.1095504,1.5,0,170,0,0,0,0,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
THALLIUM CYCLOPENTADIENIDE,034822-90-7,97304,"cyclopenta-2,4-dien-1-ylthallium",C1=CC(C=C1)[Tl],InChI=1S/C5H5.Tl/c1-2-4-5-3-1;/h1-5H;,RKLJDPOVAWGBSD-UHFFFAOYSA-N,C5H5Tl,269.48,270.01355,,0,80,0,0,0,0,6,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
HEXACHLOROCYCLOPENTADIENE,000077-47-4,6478,"1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene",C1(=C(C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl,"InChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8",VUNCWTMEJYMOOR-UHFFFAOYSA-N,C5Cl6,272.8,271.810166,5,0,234,0,0,0,0,11,"Non-flammable (EPA, 1998)","462 °F at 753 mmHg (EPA, 1998)",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
TRIMETHYLSILYL PENTAMETHYLCYCLOPENTADIENE,087778-95-8,4338309,"trimethyl-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane",CC1=C(C(C(=C1C)C)(C)[Si](C)(C)C)C,"InChI=1S/C13H24Si/c1-9-10(2)12(4)13(5,11(9)3)14(6,7)8/h1-8H3",WNTWQEUDFDAMBF-UHFFFAOYSA-N,C13H24Si,208.41,208.1647273,,0,300,0,0,0,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"DIMETHYL(CYCLOOCTA-1,5 DIENE) PLATINUM (II)",012266-92-1,10882173,"carbanide;(1Z,5Z)-cycloocta-1,5-diene;platinum(2+)",[CH3-].[CH3-].C1/C=C\CC/C=C\C1.[Pt+2],"InChI=1S/C8H12.2CH3.Pt/c1-2-4-6-8-7-5-3-1;;;/h1-2,7-8H,3-6H2;2*1H3;/q;2*-1;+2/b2-1-,8-7-;;;",AYLJSSIIYOOUOG-PHFPKPIQSA-N,C10H18Pt,333.33,333.105645,,0,75,0,0,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PALLADIUM, DICHLORO[(1,2,5,6-.ETA.)-1,5-CYCLOOCTADIENE]-",012107-56-1,5702536,"(1Z,5Z)-cycloocta-1,5-diene;dichloropalladium",C1/C=C\CC/C=C\C1.Cl[Pd]Cl,"InChI=1S/C8H12.2ClH.Pd/c1-2-4-6-8-7-5-3-1;;;/h1-2,7-8H,3-6H2;2*1H;/q;;;+2/p-2/b2-1-,8-7-;;;",RRHPTXZOMDSKRS-PHFPKPIQSA-L,C8H12Cl2Pd,285.5,283.93509,,0,75,0,0,0,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PLATINUM, DICHLORO[(1,2,5,6-.ETA.)-1,5-CYCLOOCTADIENE]-",012080-32-9,5702648,"(1Z,5Z)-cycloocta-1,5-diene;dichloroplatinum",C1/C=C\CC/C=C\C1.Cl[Pt]Cl,"InChI=1S/C8H12.2ClH.Pt/c1-2-4-6-8-7-5-3-1;;;/h1-2,7-8H,3-6H2;2*1H;/q;;;+2/p-2/b2-1-,8-7-;;;",VVAOPCKKNIUEEU-PHFPKPIQSA-L,C8H12Cl2Pt,374.17,372.9964,,0,75,0,0,0,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIPHENYLPHOSPHINIC CHLORIDE,001499-21-4,73910,[chloro(phenyl)phosphoryl]benzene,C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)Cl,"InChI=1S/C12H10ClOP/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H",QPQGTZMAQRXCJW-UHFFFAOYSA-N,C12H10ClOP,236.63,236.0157796,2.1,17.1,220,0,0,1,2,15,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
DIPHENYLPHOSPHINIC ACID,001707-03-5,15567,diphenylphosphinic acid,C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)O,"InChI=1S/C12H11O2P/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,13,14)",BEQVQKJCLJBTKZ-UHFFFAOYSA-N,C12H11O2P,218.19,218.0496666,2.6,37.3,218,0,1,2,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphine oxide, diphenylethyl-",1733-57-9,74423,[ethyl(phenyl)phosphoryl]benzene,CCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C14H15OP/c1-2-16(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3",AKTGKEBIBGSCLD-UHFFFAOYSA-N,C14H15OP,230.24,230.0860521,2.9,17.1,227,0,0,1,3,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphine oxide, diphenylmethyl-",2129-89-7,75041,[methyl(phenyl)phosphoryl]benzene,CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C13H13OP/c1-15(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3",PEGCITODQASXKH-UHFFFAOYSA-N,C13H13OP,216.21,216.070402,1.3,17.1,215,0,0,1,2,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphine oxide, diphenyl(1-methylethyl)-",2959-75-3,76294,[phenyl(propan-2-yl)phosphoryl]benzene,CC(C)P(=O)(C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C15H17OP/c1-13(2)17(16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3",CLPTUIWEBUOUCQ-UHFFFAOYSA-N,C15H17OP,244.27,244.1017022,3.3,17.1,251,0,0,1,3,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphine oxide, diphenyl(methoxymethyl)-",4455-77-0,78203,[methoxymethyl(phenyl)phosphoryl]benzene,COCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C14H15O2P/c1-16-12-17(15,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3",OEPKDBQOTLDTNC-UHFFFAOYSA-N,C14H15O2P,246.24,246.0809667,2.4,26.3,243,0,0,2,4,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
S-TRIOXANE,000110-88-3,8081,"1,3,5-trioxane",C1OCOCO1,InChI=1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2,BGJSXRVXTHVRSN-UHFFFAOYSA-N,C3H6O3,90.08,90.03169405,-0.4,27.7,21,0,0,3,0,6,"113 °F (NTP, 1992)","238.1 °F at 759 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,1
"1,3,5-TRIOXANE, 2,4,6-TRIS(1-METHYLETHYL)-",007580-12-3,82059,"2,4,6-tri(propan-2-yl)-1,3,5-trioxane",CC(C)C1OC(OC(O1)C(C)C)C(C)C,"InChI=1S/C12H24O3/c1-7(2)10-13-11(8(3)4)15-12(14-10)9(5)6/h7-12H,1-6H3",XYIANCZIPATGDH-UHFFFAOYSA-N,C12H24O3,216.32,216.1725446,4,27.7,144,0,0,3,3,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"s-Trioxane, 2,4,6-triethyl-",2396-42-1,95669,"2,4,6-triethyl-1,3,5-trioxane",CCC1OC(OC(O1)CC)CC,"InChI=1S/C9H18O3/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-9H,4-6H2,1-3H3",GYBGKXFOKOSPLS-UHFFFAOYSA-N,C9H18O3,174.24,174.1255944,2.7,27.7,91,0,0,3,3,12,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"s-Trioxane, 2,4,6-triisobutyl-",68165-40-2,198512,"2,4,6-tris(2-methylpropyl)-1,3,5-trioxane",CC(C)CC1OC(OC(O1)CC(C)C)CC(C)C,"InChI=1S/C15H30O3/c1-10(2)7-13-16-14(8-11(3)4)18-15(17-13)9-12(5)6/h10-15H,7-9H2,1-6H3",SBVHSWJZXOYLFE-UHFFFAOYSA-N,C15H30O3,258.4,258.2194948,5.1,27.7,176,0,0,3,6,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,5-TRIOXANE, 2,4,6-TRIPROPYL-",002396-43-2,75453,"2,4,6-tripropyl-1,3,5-trioxane",CCCC1OC(OC(O1)CCC)CCC,"InChI=1S/C12H24O3/c1-4-7-10-13-11(8-5-2)15-12(14-10)9-6-3/h10-12H,4-9H2,1-3H3",OXSRKPVVVMMMER-UHFFFAOYSA-N,C12H24O3,216.32,216.1725446,3.8,27.7,120,0,0,3,6,15,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,1,1
PARALDEHYDE,000123-63-7,31264,"2,4,6-trimethyl-1,3,5-trioxane",CC1OC(OC(O1)C)C,"InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3",SQYNKIJPMDEDEG-UHFFFAOYSA-N,C6H12O3,132.16,132.0786442,0.7,27.7,63,0,0,3,0,9,"96 °F (NTP, 1992)","262 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
CYCLOHEPTANOL,000502-41-0,10399,cycloheptanol,C1CCCC(CC1)O,"InChI=1S/C7H14O/c8-7-5-3-1-2-4-6-7/h7-8H,1-6H2",QCRFMSUKWRQZEM-UHFFFAOYSA-N,C7H14O,114.19,114.1044651,1,20.2,53,0,1,1,0,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEPTANE, BROMO-",002404-35-5,16992,bromocycloheptane,C1CCCC(CC1)Br,"InChI=1S/C7H13Br/c8-7-5-3-1-2-4-6-7/h7H,1-6H2",LOXORFRCPXUORP-UHFFFAOYSA-N,C7H13Br,177.08,176.02006,3.7,0,53,0,0,0,0,8,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cycloheptanecarboxylic acid, 1-amino-",6949-77-5,23378,1-aminocycloheptane-1-carboxylic acid,C1CCCC(CC1)(C(=O)O)N,"InChI=1S/C8H15NO2/c9-8(7(10)11)5-3-1-2-4-6-8/h1-6,9H2,(H,10,11)",IINRZEIPFQHEAP-UHFFFAOYSA-N,C8H15NO2,157.21,157.1102787,-1.3,63.3,148,0,2,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cycloheptanecarbonitrile, 1-hydroxy-, acetate",71172-45-7,51257,(1-cyanocycloheptyl) acetate,CC(=O)OC1(CCCCCC1)C#N,"InChI=1S/C10H15NO2/c1-9(12)13-10(8-11)6-4-2-3-5-7-10/h2-7H2,1H3",CDDMHDQXVZILGM-UHFFFAOYSA-N,C10H15NO2,181.23,181.1102787,2,50.1,231,0,0,3,2,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-ISOPROPOXY-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE",061676-62-8,5017741,"4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane",B1(OC(C(O1)(C)C)(C)C)OC(C)C,"InChI=1S/C9H19BO3/c1-7(2)11-10-12-8(3,4)9(5,6)13-10/h7H,1-6H3",MRWWWZLJWNIEEJ-UHFFFAOYSA-N,C9H19BO3,186.06,186.1427246,,27.7,173,0,0,3,2,13,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
ISOPROPYLBORONIC ACID PINACOL ESTER,076347-13-2,12727711,"4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane",B1(OC(C(O1)(C)C)(C)C)C(C)C,"InChI=1S/C9H19BO2/c1-7(2)10-11-8(3,4)9(5,6)12-10/h7H,1-6H3",MECCSFDHAVAAAW-UHFFFAOYSA-N,C9H19BO2,170.06,170.14781,,18.5,159,0,0,2,1,12,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-(IODOMETHYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE",070557-99-2,10901594,"2-(iodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane",B1(OC(C(O1)(C)C)(C)C)CI,"InChI=1S/C7H14BIO2/c1-6(2)7(3,4)11-8(5-9)10-6/h5H2,1-4H3",UBNNPAYFVZFWPE-UHFFFAOYSA-N,C7H14BIO2,267.9,268.01316,,18.5,143,0,0,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-(3-BROMOPROPYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE",124215-44-7,14836669,"2-(3-bromopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane",B1(OC(C(O1)(C)C)(C)C)CCCBr,"InChI=1S/C9H18BBrO2/c1-8(2)9(3,4)13-10(12-8)6-5-7-11/h5-7H2,1-4H3",CHQXFJUKMDJWHO-UHFFFAOYSA-N,C9H18BBrO2,248.96,248.05832,,18.5,166,0,0,2,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-HYDROXY-4-TETRADECYL-1,3,2-DIOXABOROLANE",084819-41-0,174393,"2-hydroxy-4-tetradecyl-1,3,2-dioxaborolane",B1(OCC(O1)CCCCCCCCCCCCCC)O,"InChI=1S/C16H33BO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-19-17(18)20-16/h16,18H,2-15H2,1H3",FQJYMHXZVHCZPC-UHFFFAOYSA-N,C16H33BO3,284.2,284.2522751,,38.7,214,0,1,3,13,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"3(2H)-FURANONE, 2,5-DIMETHYL-",014400-67-0,85730,"2,5-dimethylfuran-3-one",CC1C(=O)C=C(O1)C,"InChI=1S/C6H8O2/c1-4-3-6(7)5(2)8-4/h3,5H,1-2H3",ASOSVCXGWPDUGN-UHFFFAOYSA-N,C6H8O2,112.13,112.0524295,0.8,26.3,147,0,0,2,0,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"3(2H)-FURANONE, 4-HYDROXY-2,5-DIMETHYL-",003658-77-3,19309,"4-hydroxy-2,5-dimethylfuran-3-one",CC1C(=O)C(=C(O1)C)O,"InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3",INAXVXBDKKUCGI-UHFFFAOYSA-N,C6H8O3,128.13,128.0473441,0.7,46.5,181,0,1,3,0,9,,216 °C,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"3(2H)-FURANONE, 2-ETHYL-4-HYDROXY-5-METHYL-",027538-10-9,33931,2-ethyl-4-hydroxy-5-methylfuran-3-one,CCC1C(=O)C(=C(O1)C)O,"InChI=1S/C7H10O3/c1-3-5-7(9)6(8)4(2)10-5/h5,8H,3H2,1-2H3",GWCRPYGYVRXVLI-UHFFFAOYSA-N,C7H10O3,142.15,142.0629942,1.2,46.5,193,0,1,3,1,10,,103.00 °C. @ 15.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Glucitol, 1,4:3,6-dianhydro-, 5-nitrate, D-",016051-77-7,27661,"[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate",C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O[N+](=O)[O-])O,"InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5+,6+/m0/s1",YWXYYJSYQOXTPL-SLPGGIOYSA-N,C6H9NO6,191.14,191.042987,-0.4,93.7,216,0,1,6,1,13,,,0,0,0,0,0,0,0,1,0,1,0,0,0,1,0,0,1,0,0,1
ISOSORBIDE DINITRATE,000087-33-2,6883,"[(3S,3aS,6R,6aS)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate",C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O[N+](=O)[O-],"InChI=1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6-/m1/s1",MOYKHGMNXAOIAT-JGWLITMVSA-N,C6H8N2O8,236.14,236.0280652,1.3,129,268,0,0,8,2,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4:3,6-DIANHYDRO-D-MANNITOL",000641-74-7,10975624,"(3R,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol",C1[C@H]([C@@H]2[C@H](O1)[C@@H](CO2)O)O,"InChI=1S/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2/t3-,4-,5-,6-/m1/s1",KLDXJTOLSGUMSJ-KVTDHHQDSA-N,C6H10O4,146.14,146.0579088,-1.4,58.9,122,0,2,4,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"D-Mannitol, 1,4:3,6-dianhydro-, 2,5-dinitrate",551-43-9,188950,"[(3R,3aS,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] nitrate",C1[C@H]([C@@H]2[C@H](O1)[C@@H](CO2)O[N+](=O)[O-])O[N+](=O)[O-],"InChI=1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2/t3-,4-,5-,6-/m1/s1",MOYKHGMNXAOIAT-KVTDHHQDSA-N,C6H8N2O8,236.14,236.0280652,1.3,129,268,0,0,8,2,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIPHENYLPHOSPHINE,000829-85-6,70017,diphenylphosphane,C1=CC=C(C=C1)PC2=CC=CC=C2,"InChI=1S/C12H11P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H",GPAYUJZHTULNBE-UHFFFAOYSA-N,C12H11P,186.19,186.0598373,3,0,116,0,0,0,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHINOUS CHLORIDE, DIPHENYL-",001079-66-9,66180,chloro(diphenyl)phosphane,C1=CC=C(C=C1)P(C2=CC=CC=C2)Cl,InChI=1S/C12H10ClP/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,XGRJZXREYAXTGV-UHFFFAOYSA-N,C12H10ClP,220.63,220.020865,3.8,0,142,0,0,0,2,14,,,0,0,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,0
METHYL DIPHENYL PHOSPHINE,001486-28-8,73879,methyl(diphenyl)phosphane,CP(C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C13H13P/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3",UJNZOIKQAUQOCN-UHFFFAOYSA-N,C13H13P,200.22,200.0754874,3.1,0,137,0,0,0,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYLDIPHENYLPHOSPHINE,000607-01-2,69082,ethyl(diphenyl)phosphane,CCP(C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C14H15P/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3",WUOIAOOSKMHJOV-UHFFFAOYSA-N,C14H15P,214.24,214.0911375,3.4,0,148,0,0,0,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHINE, DIPHENYL[2-(TRIETHOXYSILYL)ETHYL]-",018586-39-5,87708,diphenyl(2-triethoxysilylethyl)phosphane,CCO[Si](CCP(C1=CC=CC=C1)C2=CC=CC=C2)(OCC)OCC,"InChI=1S/C20H29O3PSi/c1-4-21-25(22-5-2,23-6-3)18-17-24(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16H,4-6,17-18H2,1-3H3",HLXCYTXLQJWQFG-UHFFFAOYSA-N,C20H29O3PSi,376.5,376.1623583,,27.7,309,0,0,3,11,25,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphine, diphenylpropyl-",7650-84-2,82100,diphenyl(propyl)phosphane,CCCP(C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C15H17P/c1-2-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3",AAXGWYDSLJUQLN-UHFFFAOYSA-N,C15H17P,228.27,228.1067875,3.9,0,160,0,0,0,4,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHOROUS ACID, TRIS(4-METHYLPHENYL) ESTER",000620-42-8,12106,tris(4-methylphenyl) phosphite,CC1=CC=C(C=C1)OP(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C,"InChI=1S/C21H21O3P/c1-16-4-10-19(11-5-16)22-25(23-20-12-6-17(2)7-13-20)24-21-14-8-18(3)9-15-21/h4-15H,1-3H3",FEVFLQDDNUQKRY-UHFFFAOYSA-N,C21H21O3P,352.4,352.1228315,6.6,27.7,310,0,0,3,6,25,,,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,1,0,0
"PHENOL, P-TERT-PENTYL-, PHOSPHITE",000864-56-2,70074,tris[4-(2-methylbutan-2-yl)phenyl] phosphite,CCC(C)(C)C1=CC=C(C=C1)OP(OC2=CC=C(C=C2)C(C)(C)CC)OC3=CC=C(C=C3)C(C)(C)CC,"InChI=1S/C33H45O3P/c1-10-31(4,5)25-13-19-28(20-14-25)34-37(35-29-21-15-26(16-22-29)32(6,7)11-2)36-30-23-17-27(18-24-30)33(8,9)12-3/h13-24H,10-12H2,1-9H3",XGYJGDTVZLADOZ-UHFFFAOYSA-N,C33H45O3P,520.7,520.3106323,12.2,27.7,560,0,0,3,12,37,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRIPHENYL PHOSPHITE,000101-02-0,7540,triphenyl phosphite,C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3,InChI=1S/C18H15O3P/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H,HVLLSGMXQDNUAL-UHFFFAOYSA-N,C18H15O3P,310.3,310.0758813,5.5,27.7,247,0,0,3,6,22,"425 °F (NTP, 1992)","680 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHOROUS ACID, DINONYLPHENYL BIS(NONYLPHENYL) ESTER",054771-30-1,3034833,"[2,3-di(nonyl)phenyl] bis(2-nonylphenyl) phosphite",CCCCCCCCCC1=C(C(=CC=C1)OP(OC2=CC=CC=C2CCCCCCCCC)OC3=CC=CC=C3CCCCCCCCC)CCCCCCCCC,"InChI=1S/C54H87O3P/c1-5-9-13-17-21-25-29-38-48-43-37-47-54(51(48)44-32-28-24-20-16-12-8-4)57-58(55-52-45-35-33-41-49(52)39-30-26-22-18-14-10-6-2)56-53-46-36-34-42-50(53)40-31-27-23-19-15-11-7-3/h33-37,41-43,45-47H,5-32,38-40,44H2,1-4H3",OZFFDSIESCRZEA-UHFFFAOYSA-N,C54H87O3P,815.2,814.6392836,23.9,27.7,842,0,0,3,38,58,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphorous acid, tri-o-cresyl ester",8/4/22,92937,tris(2-methylphenyl) phosphite,CC1=CC=CC=C1OP(OC2=CC=CC=C2C)OC3=CC=CC=C3C,"InChI=1S/C21H21O3P/c1-16-10-4-7-13-19(16)22-25(23-20-14-8-5-11-17(20)2)24-21-15-9-6-12-18(21)3/h4-15H,1-3H3",BKHZQJRTFNFCTG-UHFFFAOYSA-N,C21H21O3P,352.4,352.1228315,6.6,27.7,334,0,0,3,6,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
WARFARIN,000081-81-2,54678486,4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one,CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O,"InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3",PJVWKTKQMONHTI-UHFFFAOYSA-N,C19H16O4,308.3,308.104859,2.7,63.6,501,0,1,4,4,23,,"Decomposes (NIOSH, 2024)",0,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
WARFARIN SODIUM SALT,000129-06-6,16204922,sodium 2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-olate,CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].[Na+],"InChI=1S/C19H16O4.Na/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;/h2-10,15,21H,11H2,1H3;/q;+1/p-1",KYITYFHKDODNCQ-UHFFFAOYSA-M,C19H15NaO4,330.3,330.0868032,,66.4,507,0,0,4,4,24,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
PHENPROCOUMON,000435-97-2,54680692,4-hydroxy-3-(1-phenylpropyl)chromen-2-one,CCC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O,"InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3",DQDAYGNAKTZFIW-UHFFFAOYSA-N,C18H16O3,280.3,280.1099444,3.6,46.5,420,0,1,3,3,21,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,1
"Coumarin, 3-(alpha-acetonyl-p-nitrobenzyl)-4-hydroxy-",000152-72-7,54676537,4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]chromen-2-one,CC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(C3=CC=CC=C3OC2=O)O,"InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3",VABCILAOYCMVPS-UHFFFAOYSA-N,C19H15NO6,353.3,353.0899372,2.5,109,614,0,1,6,4,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"2H-1-Benzopyran-2-one, 4-hydroxy-3-((1S)-3-oxo-1-phenylbutyl)-",5543-57-7,54688261,4-hydroxy-3-[(1S)-3-oxo-1-phenylbutyl]chromen-2-one,CC(=O)C[C@@H](C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O,"InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m0/s1",PJVWKTKQMONHTI-HNNXBMFYSA-N,C19H16O4,308.3,308.104859,2.7,63.6,501,0,1,4,4,23,,,0,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
L(+)-AMETHOPTERIN HYDRATE,133073-73-1,165528,"(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;hydrate",CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O.O,"InChI=1S/C20H22N8O5.H2O/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);1H2/t13-;/m0./s1",FPJYMUQSRFJSEW-ZOWNYOTGSA-N,C20H24N8O6,472.5,472.1818805,,212,704,0,6,13,9,34,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
"Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, D-",51865-79-3,72440,"(2R)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid",CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@H](CCC(=O)O)C(=O)O,"InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m1/s1",FBOZXECLQNJBKD-CYBMUJFWSA-N,C20H22N8O5,454.4,454.1713158,-1.8,211,704,0,5,12,9,33,,,0,0,0,1,0,1,0,1,0,0,1,0,0,1,0,0,1,0,1,0
"Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, DL-",60388-53-6,4112,"2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid",CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O,"InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)",FBOZXECLQNJBKD-UHFFFAOYSA-N,C20H22N8O5,454.4,454.1713158,-1.8,211,704,0,5,12,9,33,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
AMINOPTERIN,000054-62-6,169371,"(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid",C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N,"InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1",TVZGACDUOSZQKY-LBPRGKRZSA-N,C19H20N8O5,440.4,440.1556658,-2,219,674,0,6,12,9,32,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
METHOTREXATE,000059-05-2,126941,"(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid",CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,"InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1",FBOZXECLQNJBKD-ZDUSSCGKSA-N,C20H22N8O5,454.4,454.1713158,-1.8,211,704,0,5,12,9,33,,,0,0,0,1,0,0,0,1,0,0,1,0,0,1,0,0,1,0,0,0
"Glutamic acid, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-,",007413-34-5,11329481,"disodium;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate",CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Na+].[Na+],"InChI=1S/C20H22N8O5.2Na/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;;/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);;/q;2*+1/p-2/t13-;;/m0../s1",DASQOOZCTWOQPA-GXKRWWSZSA-L,C20H20N8Na2O5,498.4,498.1352043,,216,693,0,3,12,7,35,,,0,1,1,1,0,0,0,1,0,0,1,0,0,1,0,0,1,0,0,1
"1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, carboxymethy",053164-05-9,1981,2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyacetic acid,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(=O)O,"InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)",FSQKKOOTNAMONP-UHFFFAOYSA-N,C21H18ClNO6,415.8,415.082265,4.2,94.8,620,0,1,6,7,29,,637ºC,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 3,7,11-trime",085801-02-1,5282183,"[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate",CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C,"InChI=1S/C34H40ClNO4/c1-23(2)9-7-10-24(3)11-8-12-25(4)19-20-40-33(37)22-30-26(5)36(32-18-17-29(39-6)21-31(30)32)34(38)27-13-15-28(35)16-14-27/h9,11,13-19,21H,7-8,10,12,20,22H2,1-6H3/b24-11+,25-19+",CFIGYZZVJNJVDQ-LMJOQDENSA-N,C34H40ClNO4,562.1,561.2645865,9.8,57.5,928,0,0,4,13,40,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, sodium salt",7681-54-1,23675763,sodium 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)[O-].[Na+],"InChI=1S/C19H16ClNO4.Na/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12;/h3-9H,10H2,1-2H3,(H,22,23);/q;+1/p-1",JMHRGKDWGWORNU-UHFFFAOYSA-M,C19H15ClNNaO4,379.8,379.0587299,,71.4,512,0,0,4,4,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-hydroxy-2-methyl-",2504-32-7,159665,2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetic acid,CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)O)CC(=O)O,"InChI=1S/C18H14ClNO4/c1-10-14(9-17(22)23)15-8-13(21)6-7-16(15)20(10)18(24)11-2-4-12(19)5-3-11/h2-8,21H,9H2,1H3,(H,22,23)",KMLNWQPYFBIALN-UHFFFAOYSA-N,C18H14ClNO4,343.8,343.0611356,3.9,79.5,491,0,2,4,3,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OXYMETAZOLINE HYDROCHLORIDE,002315-02-8,66259,"6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol;hydrochloride",CC1=CC(=C(C(=C1CC2=NCCN2)C)O)C(C)(C)C.Cl,"InChI=1S/C16H24N2O.ClH/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14;/h8,19H,6-7,9H2,1-5H3,(H,17,18);1H",BEEDODBODQVSIM-UHFFFAOYSA-N,C16H25ClN2O,296.83,296.1655411,,44.6,345,0,3,2,3,20,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0
"Phenol, 6-t-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethyl-",001491-59-4,4636,"6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol",CC1=CC(=C(C(=C1CC2=NCCN2)C)O)C(C)(C)C,"InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)",WYWIFABBXFUGLM-UHFFFAOYSA-N,C16H24N2O,260.37,260.1888634,2.9,44.6,345,0,2,2,3,19,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H-IMIDAZOLE, 2-[[4-(1,1-DIMETHYLETHYL)-2,6-DIMETHYLPHENYL]METHYL]-4,5-DIHYDRO",001218-35-5,5282386,"2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride",CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C.Cl,"InChI=1S/C16H24N2.ClH/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15;/h8-9H,6-7,10H2,1-5H3,(H,17,18);1H",YGWFCQYETHJKNX-UHFFFAOYSA-N,C16H25ClN2,280.83,280.1706265,,24.4,302,0,2,1,3,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-IMIDAZOLE, 4,5-DIHYDRO-2-(PHENYLMETHYL)-, MONOHYDROCHLORIDE",000059-97-2,6048,"2-benzyl-4,5-dihydro-1H-imidazole;hydrochloride",C1CN=C(N1)CC2=CC=CC=C2.Cl,"InChI=1S/C10H12N2.ClH/c1-2-4-9(5-3-1)8-10-11-6-7-12-10;/h1-5H,6-8H2,(H,11,12);1H",RHTNTTODYGNRSP-UHFFFAOYSA-N,C10H13ClN2,196.67,196.0767261,,24.4,169,0,2,1,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Imidazoline, 2-(4-amino-3,5-dichlorobenzyl)-, hydrochloride",,60468,"2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline;hydrochloride",C1CN=C(N1)CC2=CC(=C(C(=C2)Cl)N)Cl.Cl,"InChI=1S/C10H11Cl2N3.ClH/c11-7-3-6(4-8(12)10(7)13)5-9-14-1-2-15-9;/h3-4H,1-2,5,13H2,(H,14,15);1H",ASIGTNNPGBMHLP-UHFFFAOYSA-N,C10H12Cl3N3,280.6,279.00968,,50.4,245,0,3,2,2,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-Imidazoline, 2-benzyl-",59-98-3,5504,"2-benzyl-4,5-dihydro-1H-imidazole",C1CN=C(N1)CC2=CC=CC=C2,"InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)",JIVZKJJQOZQXQB-UHFFFAOYSA-N,C10H12N2,160.22,160.1000484,2.6,24.4,169,0,1,1,2,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZYLTRIPHENYLPHOSPHONIUM CHLORIDE,001100-88-5,70671,benzyl(triphenyl)phosphanium chloride,C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-],"InChI=1S/C25H22P.ClH/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h1-20H,21H2;1H/q+1;/p-1",USFRYJRPHFMVBZ-UHFFFAOYSA-M,C25H22ClP,388.9,388.1147654,,0,347,0,0,1,5,27,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
"PHOSPHONIUM, [(2-METHYLPHENYL)METHYL]TRIPHENYL-, CHLORIDE",063368-36-5,113182,(2-methylphenyl)methyl-triphenylphosphanium chloride,CC1=CC=CC=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-],"InChI=1S/C26H24P.ClH/c1-22-13-11-12-14-23(22)21-27(24-15-5-2-6-16-24,25-17-7-3-8-18-25)26-19-9-4-10-20-26;/h2-20H,21H2,1H3;1H/q+1;/p-1",RDHRQYBAQXBTNT-UHFFFAOYSA-M,C26H24ClP,402.9,402.1304155,,0,380,0,0,1,5,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonium, (o-methylbenzyl)triphenyl-, bromide",1530-36-5,197738,(2-methylphenyl)methyl-triphenylphosphanium bromide,CC1=CC=CC=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-],"InChI=1S/C26H24P.BrH/c1-22-13-11-12-14-23(22)21-27(24-15-5-2-6-16-24,25-17-7-3-8-18-25)26-19-9-4-10-20-26;/h2-20H,21H2,1H3;1H/q+1;/p-1",XDCQNYYELACHOT-UHFFFAOYSA-M,C26H24BrP,447.3,446.0799,,0,380,0,0,1,5,28,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonium, (2,4-dichlorobenzyl)triphenyl-, chloride",2492-23-1,196999,"(2,4-dichlorophenyl)methyl-triphenylphosphanium chloride",C1=CC=C(C=C1)[P+](CC2=C(C=C(C=C2)Cl)Cl)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-],"InChI=1S/C25H20Cl2P.ClH/c26-21-17-16-20(25(27)18-21)19-28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;/h1-18H,19H2;1H/q+1;/p-1",FWBSWSPGFNAXPP-UHFFFAOYSA-M,C25H20Cl3P,457.8,456.036821,,0,418,0,0,1,5,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonium, (p-nitrobenzyl)triphenyl-, bromide",2767-70-6,197008,(4-nitrophenyl)methyl-triphenylphosphanium bromide,C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)[N+](=O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4.[Br-],"InChI=1S/C25H21NO2P.BrH/c27-26(28)22-18-16-21(17-19-22)20-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1",IPJPTPFIJLFWLP-UHFFFAOYSA-M,C25H21BrNO2P,478.3,477.04933,,45.8,462,0,0,3,5,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonium, (o-bromomethylbenzyl)triphenyl-, bromide",67219-44-7,198507,[2-(bromomethyl)phenyl]methyl-triphenylphosphanium bromide,C1=CC=C(C=C1)[P+](CC2=CC=CC=C2CBr)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-],"InChI=1S/C26H23BrP.BrH/c27-20-22-12-10-11-13-23(22)21-28(24-14-4-1-5-15-24,25-16-6-2-7-17-25)26-18-8-3-9-19-26;/h1-19H,20-21H2;1H/q+1;/p-1",NGFRGAZJGZKPQC-UHFFFAOYSA-M,C26H23Br2P,526.2,525.98836,,0,400,0,0,1,6,29,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"EMETINE, DIHYDROCHLORIDE",000316-42-7,6603320,"(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;hydrochloride",CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.Cl,"InChI=1S/C29H40N2O4.ClH/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;1H/t18-,21-,24+,25-;/m0./s1",HUEYSSLYFJVUIS-MRFSYGAJSA-N,C29H41ClN2O4,517.1,516.2754855,,52.2,679,0,2,6,7,36,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-Benzo(a)quinolizine, 3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolyl)methyl)-",483-18-1,10219,"(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine",CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC,"InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1",AUVVAXYIELKVAI-CKBKHPSWSA-N,C29H40N2O4,480.6,480.2988078,4.7,52.2,679,0,1,6,7,35,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Cephaeline hydrochloride,5853-29-2,23615629,"(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol;dihydrochloride",CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC.Cl.Cl,"InChI=1S/C28H38N2O4.2ClH/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23;;/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3;2*1H/t17-,20-,23+,24-;;/m0../s1",YAOHSWWVTZSRQM-JBKGYMEJSA-N,C28H40Cl2N2O4,539.5,538.2365131,,63.2,664,0,4,6,6,36,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"6-Isoquinolinol, 1-(((2S,3R,11bS)-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo(a)quinolizin-2-yl)methyl)-1,2,3,4-tetrahydro-7-methoxy-, (1R)-",,442195,"(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol",CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC,"InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/t17-,20-,23+,24-/m0/s1",DTGZHCFJNDAHEN-OZEXIGSWSA-N,C28H38N2O4,466.6,466.2831577,4.4,63.2,664,0,2,6,6,34,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Emetine, dihydrochloride, hydrate",007083-71-8,201899,"(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;hydrate;dihydrochloride",CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.O.Cl.Cl,"InChI=1S/C29H40N2O4.2ClH.H2O/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;;;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;2*1H;1H2/t18-,21-,24+,25-;;;/m0.../s1",IZTPMTAWOCEKKM-VXMYZLRESA-N,C29H44Cl2N2O5,571.6,570.2627279,,53.2,679,0,4,7,7,38,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-Benzo(a)quinolizine, 1,4,6,7,11b-pentahydro-9,10-dimethoxy-3-ethyl-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolyl)methyl)-, dihydrochloride, (+-)-",83029-37-2,3068143,"(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;dihydrochloride",CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.Cl.Cl,"InChI=1S/C29H40N2O4.2ClH/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;2*1H/t18-,21-,24+,25-;;/m0../s1",JROGBPMEKVAPEH-GXGBFOEMSA-N,C29H42Cl2N2O4,553.6,552.2521632,,52.2,679,0,3,6,7,37,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6H-Dibenzo(b,d)pyran-6-one, 3,7-dihydroxy-9-methoxy-1-methyl-",023452-05-3,5360741,"3,7-dihydroxy-9-methoxy-1-methylbenzo[c]chromen-6-one",CC1=CC(=CC2=C1C3=C(C(=CC(=C3)OC)O)C(=O)O2)O,"InChI=1S/C15H12O5/c1-7-3-8(16)4-12-13(7)10-5-9(19-2)6-11(17)14(10)15(18)20-12/h3-6,16-17H,1-2H3",LCSDQFNUYFTXMT-UHFFFAOYSA-N,C15H12O5,272.25,272.0684735,3.2,76,384,0,2,5,1,20,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"6H-Dibenzo(b,d)pyran-6-one, 3,8-dihydroxy-",1143-70-0,5488186,"3,8-dihydroxybenzo[c]chromen-6-one",C1=CC2=C(C=C1O)C(=O)OC3=C2C=CC(=C3)O,"InChI=1S/C13H8O4/c14-7-1-3-9-10-4-2-8(15)6-12(10)17-13(16)11(9)5-7/h1-6,14-15H",RIUPLDUFZCXCHM-UHFFFAOYSA-N,C13H8O4,228.2,228.0422587,2.3,66.8,317,0,2,4,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"6H-Dibenzo(b,d)pyran-6-one, 2-nitro-",6623-66-1,96137,2-nitrobenzo[c]chromen-6-one,C1=CC=C2C(=C1)C3=C(C=CC(=C3)[N+](=O)[O-])OC2=O,InChI=1S/C13H7NO4/c15-13-10-4-2-1-3-9(10)11-7-8(14(16)17)5-6-12(11)18-13/h1-7H,NSXRBWUONVTXSK-UHFFFAOYSA-N,C13H7NO4,241.2,241.0375077,2.9,72.1,364,0,0,4,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6H-Dibenzo(b,d)pyran-6-one, 3-nitro-",6638-64-8,96017,3-nitrobenzo[c]chromen-6-one,C1=CC=C2C(=C1)C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O,InChI=1S/C13H7NO4/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)18-13/h1-7H,KWGYGQPIDANWAX-UHFFFAOYSA-N,C13H7NO4,241.2,241.0375077,2.9,72.1,364,0,0,4,0,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"6H-Dibenzo(b,d)pyran-6-one, 1-methyl-3,7,9-trihydroxy-",000641-38-3,5359485,"3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one",CC1=CC(=CC2=C1C3=C(C(=CC(=C3)O)O)C(=O)O2)O,"InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3",CEBXXEKPIIDJHL-UHFFFAOYSA-N,C14H10O5,258.23,258.0528234,2.9,87,371,0,3,5,0,19,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Trichothec-9-en-8-one, 4-(acetyloxy)-12,13-epoxy-3,7,15-trihydroxy-, (3-alpha,",023255-69-8,304599,"[(1S,2R,3S,7R,9R,10R,11S,12S)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate",CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)CO,"InChI=1S/C17H22O8/c1-7-4-9-16(5-18,12(22)10(7)20)15(3)13(24-8(2)19)11(21)14(25-9)17(15)6-23-17/h4,9,11-14,18,21-22H,5-6H2,1-3H3/t9-,11-,12-,13-,14-,15-,16-,17+/m1/s1",XGCUCFKWVIWWNW-CAYGJDLQSA-N,C17H22O8,354.4,354.1314677,-1.1,126,688,0,3,8,3,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Trichothecin,6379-69-7,12444502,"[(1S,2R,7R,9R,11R,12S)-1,2,5-trimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (Z)-but-2-enoate",C/C=C\C(=O)O[C@@H]1C[C@@H]2[C@]3([C@]1([C@]4(CC(=O)C(=C[C@H]4O2)C)C)C)CO3,"InChI=1S/C19H24O5/c1-5-6-16(21)24-14-8-15-19(10-22-19)18(14,4)17(3)9-12(20)11(2)7-13(17)23-15/h5-7,13-15H,8-10H2,1-4H3/b6-5-/t13-,14-,15-,17+,18-,19+/m1/s1",LJWZOKOFCBPNAG-HULHSAFCSA-N,C19H24O5,332.4,332.1623739,1.9,65.1,679,0,0,5,3,24,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Trichothec-9-en-8-one, 12,13-epoxy-3,4,7,15-tetrahydroxy-, (3-alpha,4-beta,7-alpha)-",23282-20-4,5284433,"(1S,2R,3S,7R,9R,10R,11S,12S)-3,10,11-trihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one",CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)CO,"InChI=1S/C15H20O7/c1-6-3-7-14(4-16,11(20)8(6)17)13(2)10(19)9(18)12(22-7)15(13)5-21-15/h3,7,9-12,16,18-20H,4-5H2,1-2H3/t7-,9-,10-,11-,12-,13-,14-,15+/m1/s1",UKOTXHQERFPCBU-XBXCNEFVSA-N,C15H20O7,312.31,312.120903,-1.7,120,588,0,4,7,1,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Trichothec-9-en-8-one, 3-(acetyloxy)-7,15-dihydroxy-, (3-alpha,7-alpha)-",50722-38-8,5458510,"[(1R,2R,3S,7R,9R,10R,12S)-3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate",CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)CO,"InChI=1S/C17H22O7/c1-8-4-11-16(6-18,13(21)12(8)20)15(3)5-10(23-9(2)19)14(24-11)17(15)7-22-17/h4,10-11,13-14,18,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/m1/s1",ADFIQZBYNGPCGY-HTJQZXIKSA-N,C17H22O7,338.4,338.136553,-0.1,106,657,0,2,7,3,24,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Trichothec-9-en-8-one, 12,13-epoxy-3,7,15-trihydroxy-, (3-alpha,7-alpha)-",051481-10-8,40024,"(1R,2R,3S,7R,9R,10R,12S)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one",CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO,"InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1",LINOMUASTDIRTM-QGRHZQQGSA-N,C15H20O6,296.31,296.1259884,-0.7,99.5,558,0,3,6,1,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIGOXIN,020830-75-5,2724385,"3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one",C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O,"InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1",LTMHDMANZUZIPE-PUGKRICDSA-N,C41H64O14,780.9,780.4296067,1.3,203,1450,0,6,14,7,55,,,1,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0
DIGITOXIN,000071-63-6,441207,"3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one",C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)O)O,"InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1",WDJUZGPOPHTGOT-XUDUSOBPSA-N,C41H64O13,764.9,764.4346921,2.3,183,1410,0,5,13,7,54,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
Gitoxin,4562-36-1,91540,"3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one",C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(C[C@@H]([C@@H]7C8=CC(=O)OC8)O)O)C)C)C)C)O)O,"InChI=1S/C41H64O14/c1-19-36(47)27(42)14-33(50-19)54-38-21(3)52-34(16-29(38)44)55-37-20(2)51-32(15-28(37)43)53-24-8-10-39(4)23(13-24)6-7-26-25(39)9-11-40(5)35(22-12-31(46)49-18-22)30(45)17-41(26,40)48/h12,19-21,23-30,32-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25+,26-,27+,28+,29+,30+,32+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1",LKRDZKPBAOKJBT-CNPIRKNPSA-N,C41H64O14,780.9,780.4296067,1.5,203,1450,0,6,14,7,55,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Digoxin, acetate, beta-",5355-48-6,10350481,"[(2R,3S,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl] acetate",C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3C[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)OC(=O)C)O)O,"InChI=1S/C43H66O15/c1-20-38(55-23(4)44)30(45)17-36(53-20)57-40-22(3)54-37(18-32(40)47)58-39-21(2)52-35(16-31(39)46)56-26-9-11-41(5)25(14-26)7-8-28-29(41)15-33(48)42(6)27(10-12-43(28,42)50)24-13-34(49)51-19-24/h13,20-22,25-33,35-40,45-48,50H,7-12,14-19H2,1-6H3/t20-,21-,22-,25-,26+,27-,28-,29+,30+,31+,32+,33-,35+,36+,37+,38-,39-,40-,41+,42+,43+/m1/s1",NREAGDHHMSOWKZ-DXJNJSHLSA-N,C43H66O15,823,822.4401714,1.8,209,1560,0,5,15,9,58,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
k-Strophanthin,11005-63-3,44584500,"(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5R,6R)-5-[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde",C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)O[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O,"InChI=1S/C42H64O19/c1-19-35(60-38-34(51)32(49)36(27(16-44)59-38)61-37-33(50)31(48)30(47)26(15-43)58-37)25(54-3)13-29(56-19)57-21-4-9-40(18-45)23-5-8-39(2)22(20-12-28(46)55-17-20)7-11-42(39,53)24(23)6-10-41(40,52)14-21/h12,18-19,21-27,29-38,43-44,47-53H,4-11,13-17H2,1-3H3/t19-,21+,22-,23+,24-,25+,26-,27+,29+,30-,31+,32+,33-,34+,35-,36+,37+,38-,39-,40+,41+,42+/m1/s1",CTNPHHZPAJYPFO-PDXBGNJTSA-N,C42H64O19,872.9,872.4041798,-2.9,290,1630,0,9,19,11,61,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"Card-20(22)-enolide, 3-((O-2,6-dideoxy-4-O-methyl-beta-D-ribo-hexopyranosyl-(1",030685-43-9,443946,"3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one",C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)OC,"InChI=1S/C42H66O14/c1-20-37(49-6)29(43)16-35(51-20)55-39-22(3)53-36(18-31(39)45)56-38-21(2)52-34(17-30(38)44)54-25-9-11-40(4)24(14-25)7-8-27-28(40)15-32(46)41(5)26(10-12-42(27,41)48)23-13-33(47)50-19-23/h13,20-22,24-32,34-39,43-46,48H,7-12,14-19H2,1-6H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m1/s1",IYJMSDVSVHDVGT-PEQKVOOWSA-N,C42H66O14,795,794.4452568,1.8,192,1460,0,5,14,8,56,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0
5-CHLORO-2-METHYL-4-ISOTHIAZOLIN-3-ONE,026172-55-4,33344,"5-chloro-2-methyl-1,2-thiazol-3-one",CN1C(=O)C=C(S1)Cl,"InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3",DHNRXBZYEKSXIM-UHFFFAOYSA-N,C4H4ClNOS,149.6,148.9702126,0.9,45.6,156,0,0,2,0,8,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"3(2H)-ISOTHIAZOLONE, 2-METHYL-, HYDROCHLORIDE",026172-54-3,117746,"2-methyl-1,2-thiazol-3-one;hydrochloride",CN1C(=O)C=CS1.Cl,"InChI=1S/C4H5NOS.ClH/c1-5-4(6)2-3-7-5;/h2-3H,1H3;1H",SJXPQSRCFCPWQQ-UHFFFAOYSA-N,C4H6ClNOS,151.62,150.9858627,,45.6,121,0,1,2,0,8,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,1,0,1,1,0,0
"4,5-DICHLORO-2-OCTYL-3(2H)-ISOTHIAZOLONE",064359-81-5,91688,"4,5-dichloro-2-octyl-1,2-thiazol-3-one",CCCCCCCCN1C(=O)C(=C(S1)Cl)Cl,"InChI=1S/C11H17Cl2NOS/c1-2-3-4-5-6-7-8-14-11(15)9(12)10(13)16-14/h2-8H2,1H3",PORQOHRXAJJKGK-UHFFFAOYSA-N,C11H17Cl2NOS,282.2,281.0407907,5.1,45.6,281,0,0,2,7,16,,Decomposes before boiling,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
2-METHYL-4-ISOTHIAZOLIN-3-ONE,002682-20-4,39800,"2-methyl-1,2-thiazol-3-one",CN1C(=O)C=CS1,"InChI=1S/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3",BEGLCMHJXHIJLR-UHFFFAOYSA-N,C4H5NOS,115.16,115.009185,0,45.6,121,0,0,2,0,7,,BP: 93 °C at 0.03 mm Hg,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"3(2H)-ISOTHIAZOLONE, 5-CHLORO-2-METHYL-, HYDROCHLORIDE",026530-03-0,117809,"5-chloro-2-methyl-1,2-thiazol-3-one;hydrochloride",CN1C(=O)C=C(S1)Cl.Cl,"InChI=1S/C4H4ClNOS.ClH/c1-6-4(7)2-3(5)8-6;/h2H,1H3;1H",RGVYUPIYFIVQDS-UHFFFAOYSA-N,C4H5Cl2NOS,186.06,184.9468903,,45.6,156,0,1,2,0,9,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
5-NITROISOTOIC ANHYDRIDE,004693-02-1,20821,"6-nitro-1H-3,1-benzoxazine-2,4-dione",C1=CC2=C(C=C1[N+](=O)[O-])C(=O)OC(=O)N2,"InChI=1S/C8H4N2O5/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(12)15-7/h1-3H,(H,9,12)",WWUBAHSWMPFIQZ-UHFFFAOYSA-N,C8H4N2O5,208.13,208.0120212,0.8,101,323,0,1,5,0,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2H-3,1-BENZOXAZINE-2,4(1H)-DIONE, 1-METHYL-6-NITRO-",004693-01-0,78414,"1-methyl-6-nitro-3,1-benzoxazine-2,4-dione",CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC1=O,"InChI=1S/C9H6N2O5/c1-10-7-3-2-5(11(14)15)4-6(7)8(12)16-9(10)13/h2-4H,1H3",CUIMZCXFMNKTEE-UHFFFAOYSA-N,C9H6N2O5,222.15,222.0276713,1,92.4,350,0,0,5,0,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2H-3,1-Benzoxazine-2,4(1H)-dione, 6-chloro-1-methyl-",014529-12-5,26724,"6-chloro-1-methyl-3,1-benzoxazine-2,4-dione",CN1C2=C(C=C(C=C2)Cl)C(=O)OC1=O,"InChI=1S/C9H6ClNO3/c1-11-7-3-2-5(10)4-6(7)8(12)14-9(11)13/h2-4H,1H3",FKTQNWWDMJDNHA-UHFFFAOYSA-N,C9H6ClNO3,211.6,211.0036207,1.8,46.6,281,0,0,3,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-3,1-Benzoxazine-2,4(1H)-dione, 1-methyl-",010328-92-4,25160,"1-methyl-3,1-benzoxazine-2,4-dione",CN1C2=CC=CC=C2C(=O)OC1=O,"InChI=1S/C9H7NO3/c1-10-7-5-3-2-4-6(7)8(11)13-9(10)12/h2-5H,1H3",KJMRWDHBVCNLTQ-UHFFFAOYSA-N,C9H7NO3,177.16,177.0425931,0.9,46.6,251,0,0,3,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LEVAMISOLE HYDROCHLORIDE,016595-80-5,27944,"(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride",C1CSC2=N[C@H](CN21)C3=CC=CC=C3.Cl,"InChI=1S/C11H12N2S.ClH/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;/h1-5,10H,6-8H2;1H/t10-;/m1./s1",LAZPBGZRMVRFKY-HNCPQSOCSA-N,C11H13ClN2S,240.75,240.0487973,,40.9,246,0,1,2,1,15,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
(-)-4-BROMOTETRAMISOLE OXALATE,062284-79-1,112477,"6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid",C1CSC2=NC(CN21)C3=CC=C(C=C3)Br.C(=O)(C(=O)O)O,"InChI=1S/C11H11BrN2S.C2H2O4/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10;3-1(4)2(5)6/h1-4,10H,5-7H2;(H,3,4)(H,5,6)",ZULBIBHDIQCNIS-UHFFFAOYSA-N,C13H13BrN2O4S,373.22,371.97794,,116,345,0,2,6,2,21,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"IMIDAZO[2,1-B]THIAZOLE, 2,3,5,6-TETRAHYDRO-6-PHENYL-, (.+-.)-",005036-02-2,3913,"6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole",C1CSC2=NC(CN21)C3=CC=CC=C3,"InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2",HLFSDGLLUJUHTE-UHFFFAOYSA-N,C11H12N2S,204.29,204.0721196,1.8,40.9,246,0,0,2,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Imidazo(2,1-b)thiazole, 2,3,5,6-tetrahydro-6-phenyl-, monohydrochloride, (+-)-",5086-74-8,68628,"6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride",C1CSC2=NC(CN21)C3=CC=CC=C3.Cl,"InChI=1S/C11H12N2S.ClH/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;/h1-5,10H,6-8H2;1H",LAZPBGZRMVRFKY-UHFFFAOYSA-N,C11H13ClN2S,240.75,240.0487973,,40.9,246,0,1,2,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Imidazo(2,1-b)thiazole, 2,3,5,6-tetrahydro-6-phenyl-, (S)-",14769-73-4,26879,"(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole",C1CSC2=N[C@H](CN21)C3=CC=CC=C3,"InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1",HLFSDGLLUJUHTE-SNVBAGLBSA-N,C11H12N2S,204.29,204.0721196,1.8,40.9,246,0,0,2,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Imidazo(2,1-b)thiazole, 2,3,5,6-tetrahydro-6-phenyl-, (S)-, phosphate (1:1)",32093-35-9,198119,"(6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;phosphoric acid",C1CSC2=N[C@H](CN21)C3=CC=CC=C3.OP(=O)(O)O,"InChI=1S/C11H12N2S.H3O4P/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;1-5(2,3)4/h1-5,10H,6-8H2;(H3,1,2,3,4)/t10-;/m1./s1",QEMMFDPTLWDHKP-HNCPQSOCSA-N,C11H15N2O4PS,302.29,302.0490151,,119,295,0,3,6,1,19,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"2,2',3,3'-TETRAHYDROXY-1,1'-BINAPHTHYL",061601-94-3,316673,"1-(2,3-dihydroxynaphthalen-1-yl)naphthalene-2,3-diol",C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)O)O)O)O,"InChI=1S/C20H14O4/c21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24/h1-10,21-24H",OOSHJGKXQBJASF-UHFFFAOYSA-N,C20H14O4,318.3,318.0892089,4.6,80.9,401,0,4,4,1,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"(1R)-[1,1'-BINAPHTHALENE]-3,3'-DICARBOXYLIC ACID,  2,2'-DIHYDROXY-, 3,3'-DIMETHYL ESTER",018531-91-4,10905491,methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate,COC(=O)C1=CC2=CC=CC=C2C(=C1O)C3=C(C(=CC4=CC=CC=C43)C(=O)OC)O,"InChI=1S/C24H18O6/c1-29-23(27)17-11-13-7-3-5-9-15(13)19(21(17)25)20-16-10-6-4-8-14(16)12-18(22(20)26)24(28)30-2/h3-12,25-26H,1-2H3",SCOGIYZPQMECLW-UHFFFAOYSA-N,C24H18O6,402.4,402.1103383,6.1,93.1,581,0,2,6,5,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(R)-(+)-3,3'-DIBROMO-1,1'-BI-2-NAPHTHOL",111795-43-8,10765693,3-bromo-1-(3-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol,C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)Br)O)O)Br,"InChI=1S/C20H12Br2O2/c21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24/h1-10,23-24H",BRTBEAXHUYEXSY-UHFFFAOYSA-N,C20H12Br2O2,444.1,443.91836,6.7,40.5,405,0,2,2,1,24,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"3,3'-DIMETHYL(1,1'-BINAPHTHALENE)-4,4'-DIAMINE",013138-48-2,83166,4-(4-amino-3-methylnaphthalen-1-yl)-2-methylnaphthalen-1-amine,CC1=C(C2=CC=CC=C2C(=C1)C3=CC(=C(C4=CC=CC=C43)N)C)N,"InChI=1S/C22H20N2/c1-13-11-19(15-7-3-5-9-17(15)21(13)23)20-12-14(2)22(24)18-10-6-4-8-16(18)20/h3-12H,23-24H2,1-2H3",FTEGMIZQLGXBNA-UHFFFAOYSA-N,C22H20N2,312.4,312.1626486,5.4,52,396,0,2,2,1,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(R)-(+)-1, 1'-BINAPHTHYL-2,2'-DIAMINE",018741-85-0,20571,1-(2-aminonaphthalen-1-yl)naphthalen-2-amine,C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)N)N,"InChI=1S/C20H16N2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12H,21-22H2",DDAPSNKEOHDLKB-UHFFFAOYSA-N,C20H16N2,284.4,284.1313485,4.7,52,346,0,2,2,1,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3'-DIBROMO-2,2'-BITHIOPHENE",051751-44-1,819087,3-bromo-2-(3-bromothiophen-2-yl)thiophene,C1=CSC(=C1Br)C2=C(C=CS2)Br,InChI=1S/C8H4Br2S2/c9-5-1-3-11-7(5)8-6(10)2-4-12-8/h1-4H,KBRZCEVRNLKHAZ-UHFFFAOYSA-N,C8H4Br2S2,324.1,323.81007,4.4,56.5,147,0,0,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"5-BROMO-5'-HEXYL-2,2'-BITHIOPHENE",655249-04-0,59752457,2-bromo-5-(5-hexylthiophen-2-yl)thiophene,CCCCCCC1=CC=C(S1)C2=CC=C(S2)Br,"InChI=1S/C14H17BrS2/c1-2-3-4-5-6-11-7-8-12(16-11)13-9-10-14(15)17-13/h7-10H,2-6H2,1H3",QNMUCNVCVAUOQU-UHFFFAOYSA-N,C14H17BrS2,329.3,327.99551,6.8,56.5,222,0,0,2,6,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,2'-BITHIOPHENE",000492-97-7,68120,2-thiophen-2-ylthiophene,C1=CSC(=C1)C2=CC=CS2,InChI=1S/C8H6S2/c1-3-7(9-5-1)8-4-2-6-10-8/h1-6H,OHZAHWOAMVVGEL-UHFFFAOYSA-N,C8H6S2,166.3,165.9910925,3,56.5,99,0,0,2,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5,5'DIBROMO-2,2'-BITHIOPHENE",004805-22-5,638908,2-bromo-5-(5-bromothiophen-2-yl)thiophene,C1=C(SC(=C1)Br)C2=CC=C(S2)Br,InChI=1S/C8H4Br2S2/c9-7-3-1-5(11-7)6-2-4-8(10)12-6/h1-4H,SXNCMLQAQIGJDO-UHFFFAOYSA-N,C8H4Br2S2,324.1,323.81007,5,56.5,147,0,0,2,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3',5,5'-TETRABROMO-2,2'-BITHIOPHENE",125143-53-5,2740586,"3,5-dibromo-2-(3,5-dibromothiophen-2-yl)thiophene",C1=C(SC(=C1Br)C2=C(C=C(S2)Br)Br)Br,InChI=1S/C8H2Br4S2/c9-3-1-5(11)13-7(3)8-4(10)2-6(12)14-8/h1-2H,MOMHMPZSZNZLAK-UHFFFAOYSA-N,C8H2Br4S2,481.9,481.62904,6.4,56.5,194,0,0,2,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
METHAQUALONE,000072-44-6,6292,2-methyl-3-(2-methylphenyl)quinazolin-4-one,CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C,"InChI=1S/C16H14N2O/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19/h3-10H,1-2H3",JEYCTXHKTXCGPB-UHFFFAOYSA-N,C16H14N2O,250.29,250.1106131,2.5,32.7,390,0,0,2,1,19,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4(3H)-Quinazolinone, 2-methyl-3-o-tolyl-, hydrochloride",000340-56-7,63196,2-methyl-3-(2-methylphenyl)quinazolin-4-one;hydrochloride,CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C.Cl,"InChI=1S/C16H14N2O.ClH/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19;/h3-10H,1-2H3;1H",KJUHIXIWKSVBKB-UHFFFAOYSA-N,C16H15ClN2O,286.75,286.0872908,,32.7,390,0,1,2,1,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4(3H)-Quinazolinone, 6-amino-2-methyl-3-(o-tolyl)-",963-34-8,63358,6-amino-2-methyl-3-(2-methylphenyl)quinazolin-4-one,CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)N)C,"InChI=1S/C16H15N3O/c1-10-5-3-4-6-15(10)19-11(2)18-14-8-7-12(17)9-13(14)16(19)20/h3-9H,17H2,1-2H3",GOZTWIXHTIBOHQ-UHFFFAOYSA-N,C16H15N3O,265.31,265.1215121,1.8,58.7,420,0,1,3,1,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4(3H)-Quinazolinone, 3-(3-chloro-2-methylphenyl)-2-methyl-",1915-77-1,63201,3-(3-chloro-2-methylphenyl)-2-methylquinazolin-4-one,CC1=C(C=CC=C1Cl)N2C(=NC3=CC=CC=C3C2=O)C,"InChI=1S/C16H13ClN2O/c1-10-13(17)7-5-9-15(10)19-11(2)18-14-8-4-3-6-12(14)16(19)20/h3-9H,1-2H3",MCCICLHYQKULJG-UHFFFAOYSA-N,C16H13ClN2O,284.74,284.0716407,3.1,32.7,423,0,0,2,1,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4(3H)-Quinazolinone, 2-methyl-3-phenyl-",2385-23-1,63378,2-methyl-3-phenylquinazolin-4-one,CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3,"InChI=1S/C15H12N2O/c1-11-16-14-10-6-5-9-13(14)15(18)17(11)12-7-3-2-4-8-12/h2-10H,1H3",LGNHCOKGKIUFDW-UHFFFAOYSA-N,C15H12N2O,236.27,236.094963,2.1,32.7,358,0,0,2,1,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
THIAMYLAL (SURITAL),000077-27-0,3032285,"5-pentan-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione",CCCC(C)C1(C(=O)NC(=S)NC1=O)CC=C,"InChI=1S/C12H18N2O2S/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)",XLOMZPUITCYLMJ-UHFFFAOYSA-N,C12H18N2O2S,254.35,254.108899,3.2,90.3,346,0,2,3,5,17,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,6(1H,5H)-PYRIMIDINEDIONE, 5-ETHYLDIHYDRO-2-THIOXO-",042039-81-6,1540619,"5-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione",CCC1C(=O)NC(=S)NC1=O,"InChI=1S/C6H8N2O2S/c1-2-3-4(9)7-6(11)8-5(3)10/h3H,2H2,1H3,(H2,7,8,9,10,11)",BILGEDJBYOAIMI-UHFFFAOYSA-N,C6H8N2O2S,172.21,172.0306487,0.2,90.3,207,0,2,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-THIOBARBITURIC ACID,000504-17-6,2723628,"2-sulfanylidene-1,3-diazinane-4,6-dione",C1C(=O)NC(=S)NC1=O,"InChI=1S/C4H4N2O2S/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)",RVBUGGBMJDPOST-UHFFFAOYSA-N,C4H4N2O2S,144.15,143.9993486,-0.9,90.3,171,0,2,3,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,6(1H,5H)-PYRIMIDINEDIONE, 1,3-DIBUTYLDIHYDRO-2-THIOXO-",054443-89-9,108592,"1,3-dibutyl-2-sulfanylidene-1,3-diazinane-4,6-dione",CCCCN1C(=O)CC(=O)N(C1=S)CCCC,"InChI=1S/C12H20N2O2S/c1-3-5-7-13-10(15)9-11(16)14(12(13)17)8-6-4-2/h3-9H2,1-2H3",JNFBSDIDVPDZHB-UHFFFAOYSA-N,C12H20N2O2S,256.37,256.1245491,2.3,72.7,290,0,0,3,6,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,6(1H,5H)-PYRIMIDINEDIONE, 1,3-DIETHYLDIHYDRO-2-THIOXO-",005217-47-0,78890,"1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione",CCN1C(=O)CC(=O)N(C1=S)CC,"InChI=1S/C8H12N2O2S/c1-3-9-6(11)5-7(12)10(4-2)8(9)13/h3-5H2,1-2H3",SHBTUGJAKBRBBJ-UHFFFAOYSA-N,C8H12N2O2S,200.26,200.0619488,0.5,72.7,241,0,0,3,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
THIOPENTAL,000076-75-5,3000715,"5-ethyl-5-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione",CCCC(C)C1(C(=O)NC(=S)NC1=O)CC,"InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)",IUJDSEJGGMCXSG-UHFFFAOYSA-N,C11H18N2O2S,242.34,242.108899,2.9,90.3,308,0,2,3,4,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, disodium salt",000129-67-9,44318676,"disodium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate",C1C[C@H]2[C@@H]([C@@H]([C@@H]1O2)C(=O)[O-])C(=O)[O-].[Na+].[Na+],"InChI=1S/C8H10O5.2Na/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;;/h3-6H,1-2H2,(H,9,10)(H,11,12);;/q;2*+1/p-2/t3-,4+,5-,6+;;",XRHVZWWRFMCBAZ-PXYBLNDHSA-L,C8H8Na2O5,230.13,230.0167119,,89.5,224,0,0,5,0,15,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"7-OXABICYCLO[2.2.1]HEPTANE-2,3-DICARBOXYLIC ACID",000145-73-3,168842,"(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid",C1C[C@H]2[C@@H]([C@@H]([C@@H]1O2)C(=O)O)C(=O)O,"InChI=1S/C8H10O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12)/t3-,4+,5-,6+",GXEKYRXVRROBEV-FBXFSONDSA-N,C8H10O5,186.16,186.0528234,-0.5,83.8,235,0,2,5,2,13,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"7-OXABICYCLO[2.2.1]HEPTANE-2,3-DICARBOXYLIC ACID, DIPOTASSIUM SALT",002164-07-0,76970240,"dipotassium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate",C1C[C@H]2[C@@H]([C@@H]([C@@H]1O2)C(=O)[O-])C(=O)[O-].[K+].[K+],"InChI=1S/C8H10O5.2K/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;;/h3-6H,1-2H2,(H,9,10)(H,11,12);;/q;2*+1/p-2/t3-,4+,5-,6+;;",ZPZKADHMBHMAES-PXYBLNDHSA-L,C8H8K2O5,262.34,261.9645863,,89.5,224,0,0,5,0,15,,,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, 2,3-dimethyl-, (1R,2S,3R,4S)-rel-",28874-45-5,121475,"(1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid",C[C@]1([C@H]2CC[C@@H]([C@]1(C)C(=O)O)O2)C(=O)O,"InChI=1S/C10H14O5/c1-9(7(11)12)5-3-4-6(15-5)10(9,2)8(13)14/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)/t5-,6+,9+,10-",NMTNUQBORQILRK-XCVPVQRUSA-N,C10H14O5,214.21,214.0841235,0.3,83.8,307,0,2,5,2,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"7-Oxabicyclo(2.2.1)heptane-2-carboxylic acid, endo-",38263-55-7,170022,"(1R,2R,4S)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid",C1C[C@@H]2[C@@H](C[C@H]1O2)C(=O)O,"InChI=1S/C7H10O3/c8-7(9)5-3-4-1-2-6(5)10-4/h4-6H,1-3H2,(H,8,9)/t4-,5+,6+/m0/s1",UYLYISCHTFVYHN-KVQBGUIXSA-N,C7H10O3,142.15,142.0629942,0.4,46.5,166,0,1,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"7-Oxabicyclo(2.2.1)heptane-2-carboxylic acid, exo-",38263-56-8,170021,"(1R,2S,4S)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid",C1C[C@@H]2[C@H](C[C@H]1O2)C(=O)O,"InChI=1S/C7H10O3/c8-7(9)5-3-4-1-2-6(5)10-4/h4-6H,1-3H2,(H,8,9)/t4-,5-,6+/m0/s1",UYLYISCHTFVYHN-HCWXCVPCSA-N,C7H10O3,142.15,142.0629942,0.4,46.5,166,0,1,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANONE, DIPHENYL-, OXIME",000574-66-3,11324,N-benzhydrylidenehydroxylamine,C1=CC=C(C=C1)C(=NO)C2=CC=CC=C2,"InChI=1S/C13H11NO/c15-14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,15H",DNYZBFWKVMKMRM-UHFFFAOYSA-N,C13H11NO,197.23,197.084064,3.2,32.6,193,0,1,2,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
AURAMINE HYDROCHLORIDE,002465-27-2,17170,"4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride",CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C.Cl,"InChI=1S/C17H21N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,18H,1-4H3;1H",KSCQDDRPFHTIRL-UHFFFAOYSA-N,C17H22ClN3,303.8,303.1502254,,30.3,278,0,2,3,4,21,,,0,1,0,1,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"METHANONE, (2-AMINO-5-CHLOROPHENYL)PHENYL-, OXIME",018097-52-4,86654,N-[(2-amino-5-chlorophenyl)-phenylmethylidene]hydroxylamine,C1=CC=C(C=C1)C(=NO)C2=C(C=CC(=C2)Cl)N,"InChI=1S/C13H11ClN2O/c14-10-6-7-12(15)11(8-10)13(16-17)9-4-2-1-3-5-9/h1-8,17H,15H2",GCAVNCINXJNLED-UHFFFAOYSA-N,C13H11ClN2O,246.69,246.0559907,3.5,58.6,277,0,2,3,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AURAMINE,000492-80-8,10298,"4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline",CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C,"InChI=1S/C17H21N3/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4/h5-12,18H,1-4H3",JPIYZTWMUGTEHX-UHFFFAOYSA-N,C17H21N3,267.37,267.1735477,4,30.3,278,0,1,3,4,20,,,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrrole-2-acetic acid, 1-methyl-5-p-toluoyl-",026171-23-3,5509,2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid,CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)O,"InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)",UPSPUYADGBWSHF-UHFFFAOYSA-N,C15H15NO3,257.28,257.1051933,2.8,59.3,347,0,1,3,4,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrrole-2-acetic acid, 1-methyl-5-(p-toluoyl)-, sodium salt",035711-34-3,23665411,sodium 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate,CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)[O-].[Na+],"InChI=1S/C15H15NO3.Na/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18;/h3-8H,9H2,1-2H3,(H,17,18);/q;+1/p-1",QGUALMNFRILWRA-UHFFFAOYSA-M,C15H14NNaO3,279.27,279.0871376,,62.1,353,0,0,3,4,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1H-Pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-, sodium salt, dihydrat",064490-92-2,23677829,sodium;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate;dihydrate,CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)[O-].O.O.[Na+],"InChI=1S/C15H15NO3.Na.2H2O/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18;;;/h3-8H,9H2,1-2H3,(H,17,18);;2*1H2/q;+1;;/p-1",QQILXENAYPUNEA-UHFFFAOYSA-M,C15H18NNaO5,315.3,315.108267,,64.1,353,0,2,5,4,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Ketone, phenyl pyrrol-2-yl",7697-46-3,24370,phenyl(1H-pyrrol-2-yl)methanone,C1=CC=C(C=C1)C(=O)C2=CC=CN2,"InChI=1S/C11H9NO/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9/h1-8,12H",NFGGQMYSOLVBLF-UHFFFAOYSA-N,C11H9NO,171.19,171.0684139,2.6,32.9,185,0,1,1,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Ketone, 4,5-dichloropyrrol-2-yl 2,6-dihydroxyphenyl",25683-07-2,33137,"(4,5-dichloro-1H-pyrrol-2-yl)-(2,6-dihydroxyphenyl)methanone",C1=CC(=C(C(=C1)O)C(=O)C2=CC(=C(N2)Cl)Cl)O,"InChI=1S/C11H7Cl2NO3/c12-5-4-6(14-11(5)13)10(17)9-7(15)2-1-3-8(9)16/h1-4,14-16H",JPGWTZORMBTNMF-UHFFFAOYSA-N,C11H7Cl2NO3,272.08,270.9802985,3.8,73.3,292,0,3,3,2,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
TRIPHENYLSULFONIUM TRIFLATE,066003-78-9,11729320,trifluoromethanesulfonate;triphenylsulfanium,C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-],"InChI=1S/C18H15S.CHF3O3S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)8(5,6)7/h1-15H;(H,5,6,7)/q+1;/p-1",FAYMLNNRGCYLSR-UHFFFAOYSA-M,C19H15F3O3S2,412.4,412.0414712,,66.6,346,0,0,6,3,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIPHENYLSULFONIUM (OC-6-11)-HEXAFLUOROANTIMONATE(1-),057840-38-7,93820,hexafluoroantimony(1-);triphenylsulfanium,C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.F[Sb-](F)(F)(F)(F)F,InChI=1S/C18H15S.6FH.Sb/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;;/h1-15H;6*1H;/q+1;;;;;;;+5/p-6,XQXNUAIVGUDYPW-UHFFFAOYSA-H,C18H15F6SSb,499.1,497.98368,,1,264,0,0,7,3,26,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIPHENYLSULFONIUM ION,004270-70-6,61343,triphenylsulfanium chloride,C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.[Cl-],InChI=1S/C18H15S.ClH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;1H/q+1;/p-1,ZFEAYIKULRXTAR-UHFFFAOYSA-M,C18H15ClS,298.8,298.0582993,,1,202,0,0,1,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SULFONIUM, TRIPHENYL-, HEXAFLUOROPHOSPHATE(1-)",057835-99-1,93819,triphenylsulfanium hexafluorophosphate,C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.F[P-](F)(F)(F)(F)F,"InChI=1S/C18H15S.F6P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7(2,3,4,5)6/h1-15H;/q+1;-1",OFOZWFGJJSDVIP-UHFFFAOYSA-N,C18H15F6PS,408.3,408.0536276,,1,264,0,0,7,3,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Decanoic acid, 4-(4-chlorophenyl)-1-(4-(4-fluorophenyl)-4-oxybutyl)-4-piperidi",074050-97-8,52919,[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] decanoate,CCCCCCCCCC(=O)OC1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl,"InChI=1S/C31H41ClFNO3/c1-2-3-4-5-6-7-8-11-30(36)37-31(26-14-16-27(32)17-15-26)20-23-34(24-21-31)22-9-10-29(35)25-12-18-28(33)19-13-25/h12-19H,2-11,20-24H2,1H3",GUTXTARXLVFHDK-UHFFFAOYSA-N,C31H41ClFNO3,530.1,529.2759,7.9,46.6,665,0,0,5,16,37,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
HALOPERIDOL,000052-86-8,3559,4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one,C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F,"InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2",LNEPOXFFQSENCJ-UHFFFAOYSA-N,C21H23ClFNO2,375.9,375.1401348,3.2,40.5,451,0,1,4,6,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,1,0,1
"Butyrophenone, 4'-fluoro-4-(4-hydroxy-4-(alpha,alpha,alpha-trifluoro-m-tolyl)piperidino)-,hydrochloride",2062-77-3,11647992,1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one;hydrochloride,C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)CCCC(=O)C3=CC=C(C=C3)F.Cl,"InChI=1S/C22H23F4NO2.ClH/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26;/h1,3-4,6-9,15,29H,2,5,10-14H2;1H",VYGQXRZAHIZHQV-UHFFFAOYSA-N,C22H24ClF4NO2,445.9,445.1431694,,40.5,537,0,2,7,6,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butyrophenone, 4'-fluoro-4-(4-hydroxy-4-phenylpiperidino)-",12/4/09,18367,1-(4-fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one,C1CN(CCC1(C2=CC=CC=C2)O)CCCC(=O)C3=CC=C(C=C3)F,"InChI=1S/C21H24FNO2/c22-19-10-8-17(9-11-19)20(24)7-4-14-23-15-12-21(25,13-16-23)18-5-2-1-3-6-18/h1-3,5-6,8-11,25H,4,7,12-16H2",FEFFZKPQSVTBAY-UHFFFAOYSA-N,C21H24FNO2,341.4,341.1791072,2.6,40.5,420,0,1,4,6,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Butyrophenone, 4-(4-(p-bromophenyl)-4-hydroxypiperidino)-4'-fluoro-",10457-90-6,2448,4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one,C1CN(CCC1(C2=CC=C(C=C2)Br)O)CCCC(=O)C3=CC=C(C=C3)F,"InChI=1S/C21H23BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2",RKLNONIVDFXQRX-UHFFFAOYSA-N,C21H23BrFNO2,420.3,419.08962,3.3,40.5,451,0,1,4,6,26,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"1-Butanone, 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-, hydrochloride",1511-16-6,11495267,4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;hydrochloride,C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F.Cl,"InChI=1S/C21H23ClFNO2.ClH/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16;/h3-10,26H,1-2,11-15H2;1H",JMRYYMBDXNZQMH-UHFFFAOYSA-N,C21H24Cl2FNO2,412.3,411.1168126,,40.5,451,0,2,4,6,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,1,0,1
"1H-INDENE-1,3(2H)-DIONE, 2-(2,2-DIMETHYL-1-OXOPROPYL)-",000083-26-1,6732,"2-(2,2-dimethylpropanoyl)indene-1,3-dione",CC(C)(C)C(=O)C1C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C14H14O3/c1-14(2,3)13(17)10-11(15)8-6-4-5-7-9(8)12(10)16/h4-7,10H,1-3H3",RZKYEQDPDZUERB-UHFFFAOYSA-N,C14H14O3,230.26,230.0942943,2.7,51.2,351,0,0,3,2,17,,"Decomposes (NIOSH, 2024)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"1,3-INDANDIONE",000606-23-5,11815,"indene-1,3-dione",C1C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C9H6O2/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-4H,5H2",UHKAJLSKXBADFT-UHFFFAOYSA-N,C9H6O2,146.14,146.0367794,0.6,34.1,186,0,0,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Indandione, 2-methyl-",000876-83-5,96159,"2-methylindene-1,3-dione",CC1C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C10H8O2/c1-6-9(11)7-4-2-3-5-8(7)10(6)12/h2-6H,1H3",VBTBCNRVYWGDPP-UHFFFAOYSA-N,C10H8O2,160.17,160.0524295,1.8,34.1,208,0,0,2,0,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-INDENE-1,3(2H)-DIONE, 2-NITRO-",003674-33-7,77242,"2-nitroindene-1,3-dione",C1=CC=C2C(=C1)C(=O)C(C2=O)[N+](=O)[O-],"InChI=1S/C9H5NO4/c11-8-5-3-1-2-4-6(5)9(12)7(8)10(13)14/h1-4,7H",CJGMVHVKJXBIDT-UHFFFAOYSA-N,C9H5NO4,191.14,191.0218576,1.3,80,282,0,0,4,0,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Indandione, 2-isovaleryl-",83-28-3,6733,"2-(3-methylbutanoyl)indene-1,3-dione",CC(C)CC(=O)C1C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C14H14O3/c1-8(2)7-11(15)12-13(16)9-5-3-4-6-10(9)14(12)17/h3-6,8,12H,7H2,1-2H3",PVWMAOPFDINGAY-UHFFFAOYSA-N,C14H14O3,230.26,230.0942943,2.6,51.2,332,0,0,3,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PYRIDAZINE,000289-80-5,9259,pyridazine,C1=CC=NN=C1,InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,PBMFSQRYOILNGV-UHFFFAOYSA-N,C4H4N2,80.09,80.03744814,-0.7,25.8,30,0,0,2,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-METHYLPYRIDAZINE,001632-76-4,74208,3-methylpyridazine,CC1=NN=CC=C1,"InChI=1S/C5H6N2/c1-5-3-2-4-6-7-5/h2-4H,1H3",MXDRPNGTQDRKQM-UHFFFAOYSA-N,C5H6N2,94.11,94.0530982,-0.3,25.8,54,0,0,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridazine, 3,6-dichloro-4-(1,1-dimethylethyl)-",22808-29-3,89846,"4-tert-butyl-3,6-dichloropyridazine",CC(C)(C)C1=CC(=NN=C1Cl)Cl,"InChI=1S/C8H10Cl2N2/c1-8(2,3)5-4-6(9)11-12-7(5)10/h4H,1-3H3",DTUZXHRABOWYAE-UHFFFAOYSA-N,C8H10Cl2N2,205.08,204.0221037,3.4,25.8,156,0,0,2,1,12,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIDAZINE, 3,6-DICHLORO-",000141-30-0,67331,"3,6-dichloropyridazine",C1=CC(=NN=C1Cl)Cl,InChI=1S/C4H2Cl2N2/c5-3-1-2-4(6)8-7-3/h1-2H,GUSWJGOYDXFJSI-UHFFFAOYSA-N,C4H2Cl2N2,148.98,147.9595035,1.7,25.8,68,0,0,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, 2-((6-chloro-3-pyridazinyl)thio)-N,N-diethyl-",1830-32-6,71105,"2-(6-chloropyridazin-3-yl)sulfanyl-N,N-diethylacetamide",CCN(CC)C(=O)CSC1=NN=C(C=C1)Cl,"InChI=1S/C10H14ClN3OS/c1-3-14(4-2)10(15)7-16-9-6-5-8(11)12-13-9/h5-6H,3-4,7H2,1-2H3",SSLKKMZJCJBOML-UHFFFAOYSA-N,C10H14ClN3OS,259.76,259.0546109,1.9,71.4,226,0,0,4,5,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"P,P'-DIAMINOTERPHENYL",003365-85-3,104949,4-[4-(4-aminophenyl)phenyl]aniline,C1=CC(=CC=C1C2=CC=C(C=C2)N)C3=CC=C(C=C3)N,"InChI=1S/C18H16N2/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h1-12H,19-20H2",QBSMHWVGUPQNJJ-UHFFFAOYSA-N,C18H16N2,260.3,260.1313485,3,52,250,0,2,2,2,20,,,1,1,1,1,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0
4-CYANO-4'-PENTYLTERPHENYL,054211-46-0,104707,4-[4-(4-pentylphenyl)phenyl]benzonitrile,CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N,"InChI=1S/C24H23N/c1-2-3-4-5-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(18-25)9-13-22/h6-17H,2-5H2,1H3",AITQOXOBSMXBRV-UHFFFAOYSA-N,C24H23N,325.4,325.1830497,7,23.8,409,0,0,1,6,25,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
P-TERPHENYL,000092-94-4,7115,"1,4-diphenylbenzene",C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3,InChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H,XJKSTNDFUHDPQJ-UHFFFAOYSA-N,C18H14,230.3,230.1095504,5.6,0,198,0,0,0,2,18,"405 °F (NIOSH, 2024)","761 °F at 760 mmHg (NIOSH, 2024)",1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
P-TERPHENYL-D14,001718-51-0,123128,"1,2,3,4,5-pentadeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzene",[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(C(=C(C(=C2[2H])[2H])C3=C(C(=C(C(=C3[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H],"InChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D",XJKSTNDFUHDPQJ-WZAAGXFHSA-N,C18H14,244.4,244.1974249,5.6,0,198,0,0,0,2,18,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,1':4',1''-Terphenyl, 4-nitro-",10355-53-0,25196,1-(4-nitrophenyl)-4-phenylbenzene,C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-],InChI=1S/C18H13NO2/c20-19(21)18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,IMMGNSJGTWWGJB-UHFFFAOYSA-N,C18H13NO2,275.3,275.0946287,5.4,45.8,330,0,0,2,2,21,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
MYCOPHENOLIC ACID,024280-93-1,446541,(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O,"InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+",HPNSFSBZBAHARI-RUDMXATFSA-N,C17H20O6,320.3,320.1259884,3.2,93.1,485,0,2,6,6,23,,,1,0,0,1,0,0,1,0,0,0,1,0,0,1,0,0,0,0,1,0
"1(3H)-ISOBENZOFURANONE, 3-BUTYL-",006066-49-5,61361,3-butyl-3H-2-benzofuran-1-one,CCCCC1C2=CC=CC=C2C(=O)O1,"InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3",HJXMNVQARNZTEE-UHFFFAOYSA-N,C12H14O2,190.24,190.0993797,2.8,26.3,212,0,0,2,3,14,,177.00 to 178.00 °C. @ 15.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phthalide, 4,5,6,7-tetrachloro-",27355-22-2,33791,"4,5,6,7-tetrachloro-3H-2-benzofuran-1-one",C1C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C(=O)O1,InChI=1S/C8H2Cl4O2/c9-4-2-1-14-8(13)3(2)5(10)7(12)6(4)11/h1H2,NMWKWBPNKPGATC-UHFFFAOYSA-N,C8H2Cl4O2,271.9,271.87794,3.2,26.3,260,0,0,2,0,14,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1(3H)-ISOBENZOFURANONE, 3-BROMO-",006940-49-4,96218,3-bromo-3H-2-benzofuran-1-one,C1=CC=C2C(=C1)C(OC2=O)Br,"InChI=1S/C8H5BrO2/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7H",CLMSHAWYULIVFQ-UHFFFAOYSA-N,C8H5BrO2,213.03,211.94729,1.9,26.3,181,0,0,2,0,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Hexenoic acid, 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-, sodium salt",37415-62-6,23665584,sodium (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)[O-])O.[Na+],"InChI=1S/C17H20O6.Na/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3;/h4,20H,5-8H2,1-3H3,(H,18,19);/q;+1/p-1/b9-4+;",DOZYTHNHLLSNIK-JOKMOOFLSA-M,C17H19NaO6,342.3,342.1079326,,95.9,491,0,1,6,6,24,,,1,0,0,1,0,0,1,0,0,0,1,0,0,1,0,0,0,0,1,0
"4-AMINO-1,8-NAPHTHALIC ANHYDRIDE",006492-86-0,80990,"8-amino-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione",C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3=O)N,"InChI=1S/C12H7NO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)16-12(8)15/h1-5H,13H2",QIXHMCMCFSNKOG-UHFFFAOYSA-N,C12H7NO3,213.19,213.0425931,1.9,69.4,341,0,1,4,0,16,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-NITRO-1,8-NAPHTHALIC ANHYDRIDE",003027-38-1,18194,"7-nitro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione",C1=CC2=CC(=CC3=C2C(=C1)C(=O)OC3=O)[N+](=O)[O-],InChI=1S/C12H5NO5/c14-11-8-3-1-2-6-4-7(13(16)17)5-9(10(6)8)12(15)18-11/h1-5H,FLFLZYYDLIKGJQ-UHFFFAOYSA-N,C12H5NO5,243.17,243.0167723,2.4,89.2,415,0,0,5,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H,3H-NAPHTHO[1,8-CD]PYRAN-1,3-DIONE, 6-BROMO-",000081-86-7,66493,"8-bromo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione",C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3=O)Br,InChI=1S/C12H5BrO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)16-12(8)15/h1-5H,DTUOTSLAFJCQHN-UHFFFAOYSA-N,C12H5BrO3,277.07,275.94221,3.2,43.4,341,0,0,3,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H,3H-NAPHTHO[1,8-CD]PYRAN-1,3-DIONE, 6-CHLORO-",004053-08-1,77672,"8-chloro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione",C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3=O)Cl,InChI=1S/C12H5ClO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)16-12(8)15/h1-5H,UJEUBSWHCGDJQU-UHFFFAOYSA-N,C12H5ClO3,232.62,231.9927217,3.2,43.4,341,0,0,3,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H,3H-NAPHTHO[1,8-CD]PYRAN-6-SULFONIC ACID, 1,3-DIOXO-, POTASSIUM SALT",071501-16-1,16211743,"potassium 2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-8-sulfonate",C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3=O)S(=O)(=O)[O-].[K+],"InChI=1S/C12H6O6S.K/c13-11-7-3-1-2-6-9(19(15,16)17)5-4-8(10(6)7)12(14)18-11;/h1-5H,(H,15,16,17);/q;+1/p-1",WOHXJVJXAWXEQP-UHFFFAOYSA-M,C12H5KO6S,316.33,315.9443905,,109,525,0,0,6,1,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, IRON(3+) SALT",014534-87-3,161074,iron(3+) tribenzoate,C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Fe+3],"InChI=1S/3C7H6O2.Fe/c3*8-7(9)6-4-2-1-3-5-6;/h3*1-5H,(H,8,9);/q;;;+3/p-3",ITAUHKJMPRCVIH-UHFFFAOYSA-K,C21H15FeO6,419.2,419.021799,,120,98,0,0,6,0,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenesulfonic acid, tetrapropylene-, sodium salt",11067-82-6,25458,trisodium;2-dodecylbenzenesulfonate;3-dodecylbenzenesulfonate;4-dodecylbenzenesulfonate,CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Na+].[Na+].[Na+],"InChI=1S/3C18H30O3S.3Na/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(16-17)22(19,20)21;1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;;;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);12,14-16H,2-11,13H2,1H3,(H,19,20,21);13-16H,2-12H2,1H3,(H,19,20,21);;;/q;;;3*+1/p-3",AVWQQPYHYQKEIZ-UHFFFAOYSA-K,C54H87Na3O9S3,1045.4,1044.520531,,197,1030,0,0,9,33,69,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"TITANIUM, TRIS(DODECYLBENZENESULFONATO-O)(2-PROPANOLATO)-",061417-55-8,86278632,tris(2-dodecylbenzenesulfonic acid);propan-2-ol;titanium,CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CC(C)O.[Ti],"InChI=1S/3C18H30O3S.C3H8O.Ti/c3*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-3(2)4;/h3*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);3-4H,1-2H3;",KKOHCQAVIJDYAF-UHFFFAOYSA-N,C57H98O10S3Ti,1087.4,1086.580154,,208,1310,0,4,10,36,71,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"PHENOL, ALUMINUM SALT",015086-27-8,167236,aluminum triphenoxide,C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Al+3],"InChI=1S/3C6H6O.Al/c3*7-6-4-2-1-3-5-6;/h3*1-5,7H;/q;;;+3/p-3",OPSWAWSNPREEFQ-UHFFFAOYSA-K,C18H15AlO3,306.3,306.0836577,,69.2,46,0,0,3,0,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
INULINASE,009025-67-6,168009947,"tris(1-[4-(dimethylamino)phenyl]-7-hydroxy-2,4-dimethyl-7-(oxidoamino)hepta-3,5-dien-1-one);iron(3+)",CC(C=C(C)C=CC(N[O-])O)C(=O)C1=CC=C(C=C1)N(C)C.CC(C=C(C)C=CC(N[O-])O)C(=O)C1=CC=C(C=C1)N(C)C.CC(C=C(C)C=CC(N[O-])O)C(=O)C1=CC=C(C=C1)N(C)C.[Fe+3],"InChI=1S/3C17H23N2O3.Fe/c3*1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4;/h3*5-11,13,16,18,20H,1-4H3;/q3*-1;+3",QHDCXTJBKHLQDX-UHFFFAOYSA-N,C51H69FeN6O9,966,965.447538,,227,410,0,6,15,21,67,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"Benzenesulfonic acid, 4-methyl-, iron(3+) salt",77214-82-5,173580,iron(3+);tris(4-methylbenzenesulfonate),CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].[Fe+3],"InChI=1S/3C7H8O3S.Fe/c3*1-6-2-4-7(5-3-6)11(8,9)10;/h3*2-5H,1H3,(H,8,9,10);/q;;;+3/p-3",FYMCOOOLDFPFPN-UHFFFAOYSA-K,C21H21FeO9S3,569.4,568.969706,,197,193,0,0,9,0,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
REMIFENTANIL (ULTIVA),132875-61-7,60815,methyl 1-(3-methoxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate,CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC(=O)OC)C(=O)OC,"InChI=1S/C20H28N2O5/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2/h5-9H,4,10-15H2,1-3H3",ZTVQQQVZCWLTDF-UHFFFAOYSA-N,C20H28N2O5,376.4,376.199822,1.9,76.2,522,0,0,6,9,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1
N-PHENYLPIPERIDIN-4-AMINE,023056-29-3,89982,N-phenylpiperidin-4-amine,C1CNCCC1NC2=CC=CC=C2,"InChI=1S/C11H16N2/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-5,11-13H,6-9H2",LKRMTUUCKBQGFO-UHFFFAOYSA-N,C11H16N2,176.26,176.1313485,2,24.1,135,0,2,2,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-PHENYL-4-PIPERIDINAMINE HYDROCHLORIDE (1:2),099918-43-1,45791702,N-phenylpiperidin-4-amine;dihydrochloride,C1CNCCC1NC2=CC=CC=C2.Cl.Cl,"InChI=1S/C11H16N2.2ClH/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11;;/h1-5,11-13H,6-9H2;2*1H",CNUNDCRNMZQPFD-UHFFFAOYSA-N,C11H18Cl2N2,249.18,248.084704,,24.1,135,0,4,2,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BOC-4-(PHENYLAMINO)PIPERIDINE,125541-22-2,1491502,tert-butyl 4-anilinopiperidine-1-carboxylate,CC(C)(C)OC(=O)N1CCC(CC1)NC2=CC=CC=C2,"InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-9-14(10-12-18)17-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3",HTIWISWAPVQGMI-UHFFFAOYSA-N,C16H24N2O2,276.37,276.183778,3.3,41.6,311,0,1,3,4,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Piperidinepropanoic acid, 4-(methoxycarbonyl)-4-((1-oxopropyl)phenylamino)-, methyl ester, monohydrochloride",132539-07-2,60814,methyl 1-(3-methoxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate;hydrochloride,CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC(=O)OC)C(=O)OC.Cl,"InChI=1S/C20H28N2O5.ClH/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2;/h5-9H,4,10-15H2,1-3H3;1H",WFBMIPUMYUHANP-UHFFFAOYSA-N,C20H29ClN2O5,412.9,412.1764997,,76.2,522,0,1,6,9,28,,,0,1,1,1,0,0,0,0,0,1,0,0,0,1,0,0,0,1,1,1
METHOXETAMINE HYDROCHLORIDE,1239908-48-5,71628809,2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one;hydrochloride,CCNC1(CCCCC1=O)C2=CC(=CC=C2)OC.Cl,"InChI=1S/C15H21NO2.ClH/c1-3-16-15(10-5-4-9-14(15)17)12-7-6-8-13(11-12)18-2;/h6-8,11,16H,3-5,9-10H2,1-2H3;1H",FJNRBMKLTGCSRN-UHFFFAOYSA-N,C15H22ClNO2,283.79,283.1339066,,38.3,292,0,2,3,4,19,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
KETAMINE HYDROCHLORIDE,001867-66-9,15851,2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride,CNC1(CCCCC1=O)C2=CC=CC=C2Cl.Cl,"InChI=1S/C13H16ClNO.ClH/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14;/h2-3,6-7,15H,4-5,8-9H2,1H3;1H",VCMGMSHEPQENPE-UHFFFAOYSA-N,C13H17Cl2NO,274.18,273.0687196,,29.1,269,0,2,2,2,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,1
"Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, hydrochloride, (2S)-",33795-24-3,9838417,(2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride,CN[C@]1(CCCCC1=O)C2=CC=CC=C2Cl.Cl,"InChI=1S/C13H16ClNO.ClH/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14;/h2-3,6-7,15H,4-5,8-9H2,1H3;1H/t13-;/m1./s1",VCMGMSHEPQENPE-BTQNPOSSSA-N,C13H17Cl2NO,274.18,273.0687196,,29.1,269,0,2,2,2,17,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (2S)-",,182137,(2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one,CN[C@@]1(CCCCC1=O)C2=CC=CC=C2Cl,"InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m0/s1",YQEZLKZALYSWHR-ZDUSSCGKSA-N,C13H16ClNO,237.72,237.0920418,2.2,29.1,269,0,1,2,2,16,,363.8ºC at 760mmHg,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZYL BENZOATE,000120-51-4,2345,benzyl benzoate,C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2,"InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2",SESFRYSPDFLNCH-UHFFFAOYSA-N,C14H12O2,212.24,212.0837296,4,26.3,213,0,0,2,4,16,148 °C,321.3 °C,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-HYDROXYBENZOIC ACID PHENYLMETHYL ESTER,000118-58-1,8363,benzyl 2-hydroxybenzoate,C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O,"InChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2",ZCTQGTTXIYCGGC-UHFFFAOYSA-N,C14H12O3,228.24,228.0786442,3.2,46.5,246,0,1,3,4,17,180 °C (356 °F) - closed cup,"406 °F at 26 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,2-Benzenedicarboxylic acid, mono(phenylmethyl) ester",002528-16-7,31736,2-phenylmethoxycarbonylbenzoic acid,C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C(=O)O,"InChI=1S/C15H12O4/c16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)",XIKIUQUXDNHBFR-UHFFFAOYSA-N,C15H12O4,256.25,256.0735589,3.3,63.6,320,0,1,4,5,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzyl alcohol, p-nitro-, benzoate",4457-41-4,97533,(4-nitrophenyl)methyl benzoate,C1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C14H11NO4/c16-14(12-4-2-1-3-5-12)19-10-11-6-8-13(9-7-11)15(17)18/h1-9H,10H2",CRTADXBPEXSZLH-UHFFFAOYSA-N,C14H11NO4,257.24,257.0688078,3.8,72.1,312,0,0,4,4,19,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-HYDROXYBENZOIC ACID PHENYLMETHYL ESTER,000094-18-8,7180,benzyl 4-hydroxybenzoate,C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)O,"InChI=1S/C14H12O3/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9,15H,10H2",MOZDKDIOPSPTBH-UHFFFAOYSA-N,C14H12O3,228.24,228.0786442,3.6,46.5,238,0,1,3,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-AMINOFLUORANTHENE,002693-46-1,17599,fluoranthen-3-amine,C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)N,"InChI=1S/C16H11N/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H,17H2",VHGJAFIHUSTRGB-UHFFFAOYSA-N,C16H11N,217.26,217.0891494,4.2,26,300,0,1,1,0,17,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
FLUORANTHENE,000206-44-0,9154,fluoranthene,C1=CC=C2C(=C1)C3=CC=CC4=C3C2=CC=C4,InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H,GVEPBJHOBDJJJI-UHFFFAOYSA-N,C16H10,202.25,202.0782503,5.2,0,243,0,0,0,0,16,198.0 °C (388.4 °F) Closed cup,"482 °F at 60 mmHg (NTP, 1992)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,9-DINITROFLUORANTHENE",022506-53-2,31186,"3,9-dinitrofluoranthene",C1=CC2=C(C=CC3=C2C(=C1)C4=C3C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C16H8N2O4/c19-17(20)9-4-5-10-11-2-1-3-13-15(18(21)22)7-6-12(16(11)13)14(10)8-9/h1-8H,FGDKXSJXYFAHHH-UHFFFAOYSA-N,C16H8N2O4,292.24,292.0484067,4.5,91.6,486,0,0,4,0,22,,,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"3,7-DINITROFLUORANTHENE",105735-71-5,60018,"3,7-dinitrofluoranthene",C1=CC2=C(C=CC3=C2C(=C1)C4=C3C=CC=C4[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C16H8N2O4/c19-17(20)13-8-7-10-9-3-2-6-14(18(21)22)16(9)12-5-1-4-11(13)15(10)12/h1-8H,WAAHHGKGQYVTNS-UHFFFAOYSA-N,C16H8N2O4,292.24,292.0484067,4.2,91.6,486,0,0,4,0,22,,,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
QUINIDINE SULFATE DIHYDRATE,006591-63-5,656862,"bis((S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol);sulfuric acid;dihydrate",COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.O.O.OS(=O)(=O)O,"InChI=1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14-,19+,20-;;;/m00.../s1",ZHNFLHYOFXQIOW-AHSOWCEXSA-N,C40H54N4O10S,782.9,782.3560651,,176,538,0,6,14,8,55,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cinchonidine, sulfate (2:1) (salt)",524-61-8,57383488,"bis((R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol);sulfuric acid",C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O.C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O.OS(=O)(=O)O,"InChI=1S/2C19H22N2O.H2O4S/c2*1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;1-5(2,3)4/h2*2-7,9,13-14,18-19,22H,1,8,10-12H2;(H2,1,2,3,4)/t2*13-,14-,18-,19+;/m00./s1",WBBHOISPYYYBTC-IDJJGHEZSA-N,C38H46N4O6S,686.9,686.3138064,,156,494,0,4,10,6,49,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cinchonine, sulfate (2:1) (salt)",5949-16-6,11948449,"bis((S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol);sulfuric acid",C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)O.C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)O.OS(=O)(=O)O,"InChI=1S/2C19H22N2O.H2O4S/c2*1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;1-5(2,3)4/h2*2-7,9,13-14,18-19,22H,1,8,10-12H2;(H2,1,2,3,4)/t2*13-,14-,18+,19-;/m00./s1",WBBHOISPYYYBTC-SJFRDBBCSA-N,C38H46N4O6S,686.9,686.3138064,,156,494,0,4,10,6,49,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"QUININE SULFATE, DIHYDRATE",006119-70-6,16211610,"bis((R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol);sulfuric acid;dihydrate",COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.O.O.OS(=O)(=O)O,"InChI=1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14-,19-,20+;;;/m00.../s1",ZHNFLHYOFXQIOW-LPYZJUEESA-N,C40H54N4O10S,782.9,782.3560651,,176,538,0,6,14,8,55,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-OXAZOLIDINONE, 3-METHYL-",019836-78-3,29831,"3-methyl-1,3-oxazolidin-2-one",CN1CCOC1=O,"InChI=1S/C4H7NO2/c1-5-2-3-7-4(5)6/h2-3H2,1H3",VWIIJDNADIEEDB-UHFFFAOYSA-N,C4H7NO2,101.1,101.0476785,-0.1,29.5,91,0,0,2,0,7,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-Oxazolidinone, 3-(2-chloroethyl)-",1/2/08,75633,"3-(2-chloroethyl)-1,3-oxazolidin-2-one",C1COC(=O)N1CCCl,InChI=1S/C5H8ClNO2/c6-1-2-7-3-4-9-5(7)8/h1-4H2,CDYDZTYVCIPLHY-UHFFFAOYSA-N,C5H8ClNO2,149.57,149.0243562,0.5,29.5,118,0,0,2,2,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Oxazolidinone, 3-(2-hydroxyethyl)-",3356-88-5,76887,"3-(2-hydroxyethyl)-1,3-oxazolidin-2-one",C1COC(=O)N1CCO,"InChI=1S/C5H9NO3/c7-3-1-6-2-4-9-5(6)8/h7H,1-4H2",GOXNUYXRIQJIEF-UHFFFAOYSA-N,C5H9NO3,131.13,131.0582431,-0.8,49.8,115,0,1,3,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-Oxazolidineethanethioamide, 2-oxo-",172514-88-4,3075143,"2-(2-oxo-1,3-oxazolidin-3-yl)ethanethioamide",C1COC(=O)N1CC(=S)N,"InChI=1S/C5H8N2O2S/c6-4(10)3-7-1-2-9-5(7)8/h1-3H2,(H2,6,10)",WHJKRMRYZLBIRT-UHFFFAOYSA-N,C5H8N2O2S,160.2,160.0306487,-0.6,87.7,171,0,1,3,2,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PROPENOIC ACID, 2-(2-OXO-3-OXAZOLIDINYL) ETHYL ESTER",115965-75-8,22728782,"2-(2-oxo-1,3-oxazolidin-3-yl)ethyl prop-2-enoate",C=CC(=O)OCCN1CCOC1=O,"InChI=1S/C8H11NO4/c1-2-7(10)12-5-3-9-4-6-13-8(9)11/h2H,1,3-6H2",PZRBEFHNJXWNAM-UHFFFAOYSA-N,C8H11NO4,185.18,185.0688078,0.4,55.8,226,0,0,4,5,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4,5-DIBROMO-2H-1,2,3-TRIAZOLE",022300-52-3,53421159,5-bromo-2-methyltriazole-4-carboxylic acid,CN1N=C(C(=N1)Br)C(=O)O,"InChI=1S/C4H4BrN3O2/c1-8-6-2(4(9)10)3(5)7-8/h1H3,(H,9,10)",MEEKMZNPDDHRHE-UHFFFAOYSA-N,C4H4BrN3O2,206,204.94869,1.1,68,153,0,1,4,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1,1,2,3-TRIAZOLE",000288-36-8,67516,2H-triazole,C1=NNN=C1,"InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)",QWENRTYMTSOGBR-UHFFFAOYSA-N,C2H3N3,69.07,69.03269711,-0.3,41.6,24,0,1,2,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHYL 1H-1,2,3-TRIAZOLE-4-CARBOXYLATE",004967-77-5,5245764,methyl 2H-triazole-4-carboxylate,COC(=O)C1=NNN=C1,"InChI=1S/C4H5N3O2/c1-9-4(8)3-2-5-7-6-3/h2H,1H3,(H,5,6,7)",FZXQUCUWEZQIHL-UHFFFAOYSA-N,C4H5N3O2,127.1,127.0381764,-0.2,67.9,116,0,1,4,2,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1,2,3-Triazole-4-carbonitrile, 5-chloro-",88474-32-2,6411108,5-chloro-2H-triazole-4-carbonitrile,C(#N)C1=NNN=C1Cl,"InChI=1S/C3HClN4/c4-3-2(1-5)6-8-7-3/h(H,6,7,8)",FXURSNQKZJOZMH-UHFFFAOYSA-N,C3HClN4,128.52,127.9889737,0.6,65.4,126,0,1,3,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYLPHENIDATE,000113-45-1,4158,methyl 2-phenyl-2-piperidin-2-ylacetate,COC(=O)C(C1CCCCN1)C2=CC=CC=C2,"InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3",DUGOZIWVEXMGBE-UHFFFAOYSA-N,C14H19NO2,233.31,233.1415788,0.2,38.3,249,0,1,3,4,17,,BP: 135 to 137 °C at 0.6 mm Hg,0,0,0,1,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,0
"2-Piperidineacetic acid, alpha-phenyl-, methyl ester, hydrochloride",298-59-9,9280,methyl 2-phenyl-2-piperidin-2-ylacetate;hydrochloride,COC(=O)C(C1CCCCN1)C2=CC=CC=C2.Cl,"InChI=1S/C14H19NO2.ClH/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12;/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3;1H",JUMYIBMBTDDLNG-UHFFFAOYSA-N,C14H20ClNO2,269.77,269.1182566,,38.3,249,0,2,3,4,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,1
"2-Piperidineacetic acid, alpha-phenyl-, methyl ester, hydrochloride, (R-(R*,R*))-",19262-68-1,154100,methyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate;hydrochloride,COC(=O)[C@@H]([C@H]1CCCCN1)C2=CC=CC=C2.Cl,"InChI=1S/C14H19NO2.ClH/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12;/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3;1H/t12-,13-;/m1./s1",JUMYIBMBTDDLNG-OJERSXHUSA-N,C14H20ClNO2,269.77,269.1182566,,38.3,249,0,2,3,4,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperidine, 2-benzyl-",32838-55-4,118004,2-benzylpiperidine,C1CCNC(C1)CC2=CC=CC=C2,"InChI=1S/C12H17N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-3,6-7,12-13H,4-5,8-10H2",ITXCORRITGNIHP-UHFFFAOYSA-N,C12H17N,175.27,175.1360995,2.7,12,138,0,1,1,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Piperidineacetic acid, 1-nitroso-alpha-phenyl-, methyl ester",55557-03-4,41474,methyl 2-(1-nitrosopiperidin-2-yl)-2-phenylacetate,COC(=O)C(C1CCCCN1N=O)C2=CC=CC=C2,"InChI=1S/C14H18N2O3/c1-19-14(17)13(11-7-3-2-4-8-11)12-9-5-6-10-16(12)15-18/h2-4,7-8,12-13H,5-6,9-10H2,1H3",QGSDAATWYASQKL-UHFFFAOYSA-N,C14H18N2O3,262.3,262.1317424,2.6,59,316,0,0,5,4,19,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(3H)-BENZOTHIAZOLETHIONE, 6-ETHOXY-",000120-53-6,719344,"6-ethoxy-3H-1,3-benzothiazole-2-thione",CCOC1=CC2=C(C=C1)NC(=S)S2,"InChI=1S/C9H9NOS2/c1-2-11-6-3-4-7-8(5-6)13-9(12)10-7/h3-5H,2H2,1H3,(H,10,12)",HOASVNMVYBSLSU-UHFFFAOYSA-N,C9H9NOS2,211.3,211.0125563,2.7,78.7,210,0,1,3,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(3H)-BENZOTHIAZOLETHIONE, 6-NITRO-",004845-58-3,947375,"6-nitro-3H-1,3-benzothiazole-2-thione",C1=CC2=C(C=C1[N+](=O)[O-])SC(=S)N2,"InChI=1S/C7H4N2O2S2/c10-9(11)4-1-2-5-6(3-4)13-7(12)8-5/h1-3H,(H,8,12)",QPOZGXKWWKLJDK-UHFFFAOYSA-N,C7H4N2O2S2,212.3,211.9714197,2.2,115,253,0,1,4,0,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(3H)-BENZOTHIAZOLETHIONE, 6-AMINO-",007442-07-1,853584,"6-amino-3H-1,3-benzothiazole-2-thione",C1=CC2=C(C=C1N)SC(=S)N2,"InChI=1S/C7H6N2S2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,8H2,(H,9,10)",IDPNFKLUBIKHSW-UHFFFAOYSA-N,C7H6N2S2,182.3,181.9972406,1.7,95.4,183,0,2,3,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-MERCAPTOBENZOTHIAZOLE,000149-30-4,697993,"3H-1,3-benzothiazole-2-thione",C1=CC=C2C(=C1)NC(=S)S2,"InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)",YXIWHUQXZSMYRE-UHFFFAOYSA-N,C7H5NS2,167.3,166.9863415,2.4,69.4,158,0,1,2,0,10,"392 °F (NTP, 1992)","Decomposes (NTP, 1992)",1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2(3H)-Benzothiazolethione, 3-methyl-",2254-94-6,75264,"3-methyl-1,3-benzothiazole-2-thione",CN1C2=CC=CC=C2SC1=S,"InChI=1S/C8H7NS2/c1-9-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3",IRNRNPNZAKHEAW-UHFFFAOYSA-N,C8H7NS2,181.3,181.0019916,2.6,60.6,181,0,0,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Benzothiazolethiol, 5-chloro-",5331-91-9,2723842,"5-chloro-3H-1,3-benzothiazole-2-thione",C1=CC2=C(C=C1Cl)NC(=S)S2,"InChI=1S/C7H4ClNS2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)",NKYDKCVZNMNZCM-UHFFFAOYSA-N,C7H4ClNS2,201.7,200.9473692,3,69.4,185,0,1,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-PYRAN-2-ONE, 4-HYDROXY-6-METHYL-",000675-10-5,54675757,4-hydroxy-6-methylpyran-2-one,CC1=CC(=CC(=O)O1)O,"InChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3",NSYSSMYQPLSPOD-UHFFFAOYSA-N,C6H6O3,126.11,126.031694,0.5,46.5,200,0,1,3,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-PYRAN-2-ONE, 6-PENTYL-",027593-23-3,33960,6-pentylpyran-2-one,CCCCCC1=CC=CC(=O)O1,"InChI=1S/C10H14O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,7-8H,2-4,6H2,1H3",MAUFTTLGOUBZNA-UHFFFAOYSA-N,C10H14O2,166.22,166.0993797,3,26.3,214,0,0,2,4,12,,285.00 to 286.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-PYRAN-5-CARBOXYLIC ACID, 4,6-DIMETHYL-2-OXO-, METHYL ESTER",041264-06-6,170485,"methyl 2,4-dimethyl-6-oxopyran-3-carboxylate",CC1=CC(=O)OC(=C1C(=O)OC)C,"InChI=1S/C9H10O4/c1-5-4-7(10)13-6(2)8(5)9(11)12-3/h4H,1-3H3",VLYBFLKIZIACQH-UHFFFAOYSA-N,C9H10O4,182.17,182.0579088,0.6,52.6,323,0,0,4,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-Pyran-2-one, 4-methoxy-6-methyl-",672-89-9,12651,4-methoxy-6-methylpyran-2-one,CC1=CC(=CC(=O)O1)OC,"InChI=1S/C7H8O3/c1-5-3-6(9-2)4-7(8)10-5/h3-4H,1-2H3",MTZAUZNQAMNFME-UHFFFAOYSA-N,C7H8O3,140.14,140.0473441,0.8,35.5,213,0,0,3,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-OXO-2H-PYRAN-5-CARBOXYLIC ACID,000500-05-0,68141,6-oxopyran-3-carboxylic acid,C1=CC(=O)OC=C1C(=O)O,"InChI=1S/C6H4O4/c7-5-2-1-4(3-10-5)6(8)9/h1-3H,(H,8,9)",ORGPJDKNYMVLFL-UHFFFAOYSA-N,C6H4O4,140.09,140.0109586,0,63.6,236,0,1,4,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-ANTHRACENEDIONE, 1,4-BIS[(2-BROMO-4,6-DIMETHYLPHENYL)AMINO]-",018038-99-8,87424,"1,4-bis(2-bromo-4,6-dimethylanilino)anthracene-9,10-dione",CC1=CC(=C(C(=C1)Br)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4Br)C)C)C(=O)C5=CC=CC=C5C3=O)C,"InChI=1S/C30H24Br2N2O2/c1-15-11-17(3)27(21(31)13-15)33-23-9-10-24(34-28-18(4)12-16(2)14-22(28)32)26-25(23)29(35)19-7-5-6-8-20(19)30(26)36/h5-14,33-34H,1-4H3",FKLIVBYKZWBUHT-UHFFFAOYSA-N,C30H24Br2N2O2,604.3,604.0184,9.9,58.2,757,0,2,4,4,36,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
C.I. ACID GREEN 25,004403-90-1,20431,"disodium;5-methyl-2-[[4-(4-methyl-2-sulfonatoanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonate",CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4)C)S(=O)(=O)[O-])C(=O)C5=CC=CC=C5C3=O)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C28H22N2O8S2.2Na/c1-15-7-9-19(23(13-15)39(33,34)35)29-21-11-12-22(30-20-10-8-16(2)14-24(20)40(36,37)38)26-25(21)27(31)17-5-3-4-6-18(17)28(26)32;;/h3-14,29-30H,1-2H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",FPAYXBWMYIMERV-UHFFFAOYSA-L,C28H20N2Na2O8S2,622.6,622.0456465,,189,1060,0,2,10,4,42,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"9,10-ANTHRACENEDIONE, 1,4-BIS[(2,6-DIBROMO-4-METHYLPHENYL)AMINO]-",068239-76-9,109922,"1,4-bis(2,6-dibromo-4-methylanilino)anthracene-9,10-dione",CC1=CC(=C(C(=C1)Br)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4Br)C)Br)C(=O)C5=CC=CC=C5C3=O)Br,"InChI=1S/C28H18Br4N2O2/c1-13-9-17(29)25(18(30)10-13)33-21-7-8-22(34-26-19(31)11-14(2)12-20(26)32)24-23(21)27(35)15-5-3-4-6-16(15)28(24)36/h3-12,33-34H,1-2H3",MBBKLLKQAYFPGR-UHFFFAOYSA-N,C28H18Br4N2O2,734.1,733.80608,10.5,58.2,739,0,2,4,4,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenesulfonic acid, 3,3'-((9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino)bis(2,4,6-trimethyl-, disodium salt",4474-24-2,20551,"disodium;3-[[9,10-dioxo-4-(2,4,6-trimethyl-3-sulfonatoanilino)anthracen-1-yl]amino]-2,4,6-trimethylbenzenesulfonate",CC1=CC(=C(C(=C1NC2=C3C(=C(C=C2)NC4=C(C(=C(C=C4C)C)S(=O)(=O)[O-])C)C(=O)C5=CC=CC=C5C3=O)C)S(=O)(=O)[O-])C.[Na+].[Na+],"InChI=1S/C32H30N2O8S2.2Na/c1-15-13-17(3)31(43(37,38)39)19(5)27(15)33-23-11-12-24(26-25(23)29(35)21-9-7-8-10-22(21)30(26)36)34-28-16(2)14-18(4)32(20(28)6)44(40,41)42;;/h7-14,33-34H,1-6H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",UHXQPQCJDDSMCB-UHFFFAOYSA-L,C32H28N2Na2O8S2,678.7,678.1082468,,189,1180,0,2,10,4,46,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 2-[[9,10-DIHYDRO-4-[(4-METHYLPHENYL)AMINO]-9,10-DIOXO-1-",071195-66-9,23674223,"sodium 5-methyl-2-[[4-(4-methylanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonate",CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4)C)S(=O)(=O)[O-])C(=O)C5=CC=CC=C5C3=O.[Na+],"InChI=1S/C28H22N2O5S.Na/c1-16-7-10-18(11-8-16)29-22-13-14-23(30-21-12-9-17(2)15-24(21)36(33,34)35)26-25(22)27(31)19-5-3-4-6-20(19)28(26)32;/h3-15,29-30H,1-2H3,(H,33,34,35);/q;+1/p-1",HBWKFBRUDAQBCZ-UHFFFAOYSA-M,C28H21N2NaO5S,520.5,520.1068872,,124,931,0,2,7,5,37,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
GREEN PIGMENT,004430-16-4,78155,"disodium;2-[[5,8-dihydroxy-4-(4-methyl-2-sulfonatoanilino)-9,10-dioxoanthracen-1-yl]amino]-5-methylbenzenesulfonate",CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4)C)S(=O)(=O)[O-])C(=O)C5=C(C=CC(=C5C3=O)O)O)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C28H22N2O10S2.2Na/c1-13-3-5-15(21(11-13)41(35,36)37)29-17-7-8-18(30-16-6-4-14(2)12-22(16)42(38,39)40)24-23(17)27(33)25-19(31)9-10-20(32)26(25)28(24)34;;/h3-12,29-32H,1-2H3,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2",LERIXBKRKBHLHG-UHFFFAOYSA-L,C28H20N2Na2O10S2,654.6,654.0354758,,230,1130,0,4,12,4,44,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Imidazole, 1-(2,4-dichloro-beta-((2,4-dichlorobenzyl)oxy)phenethyl)-, mononitr",022832-87-7,68553,"1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid",C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl.[N+](=O)(O)[O-],"InChI=1S/C18H14Cl4N2O.HNO3/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)",MCCACAIVAXEFAL-UHFFFAOYSA-N,C18H15Cl4N3O4,479.1,478.978717,,93.1,441,0,1,5,6,29,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"Imidazole, 1-(2,4-dichloro-beta-((2,4-dichlorobenzyl)oxy)phenethyl)-",022916-47-8,4189,"1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole",C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl,"InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2",BYBLEWFAAKGYCD-UHFFFAOYSA-N,C18H14Cl4N2O,416.1,415.983074,5.3,27.1,417,0,0,2,6,25,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Imidazole, 1-(2-((4-chlorophenyl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-, ni",024169-02-6,68589,"1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid",C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-],"InChI=1S/C18H15Cl3N2O.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)",DDXORDQKGIZAME-UHFFFAOYSA-N,C18H16Cl3N3O4,444.7,443.020639,,93.1,404,0,1,5,6,28,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Imidazole, 1-(2,4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-",27220-47-9,3198,"1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole",C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl,"InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2",LEZWWPYKPKIXLL-UHFFFAOYSA-N,C18H15Cl3N2O,381.7,380.024996,5.3,27.1,379,0,0,2,6,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,6-dichlorophenyl)methoxy)ethyl)-",27523-40-6,3760,"1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole",C1=CC(=C(C(=C1)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl,"InChI=1S/C18H14Cl4N2O/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-8,11,18H,9-10H2",MPIPASJGOJYODL-UHFFFAOYSA-N,C18H14Cl4N2O,416.1,415.983074,5.3,27.1,407,0,0,2,6,25,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Imidazole, 1-(2,4-dichloro-beta-((2,6-dichlorobenzyl)oxy)phenethyl)-, mononitr",024168-96-5,159968,"1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole;nitric acid",C1=CC(=C(C(=C1)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-],"InChI=1S/C18H14Cl4N2O.HNO3/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)",NNGQLSIGRSTLLU-UHFFFAOYSA-N,C18H15Cl4N3O4,479.1,478.978717,,93.1,431,0,1,5,6,29,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propionic acid, 2-(p-(imidazo(1,2-a)pyridin-2-yl)phenyl)-",055843-86-2,68752,"2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanoic acid",CC(C1=CC=C(C=C1)C2=CN3C=CC=CC3=N2)C(=O)O,"InChI=1S/C16H14N2O2/c1-11(16(19)20)12-5-7-13(8-6-12)14-10-18-9-3-2-4-15(18)17-14/h2-11H,1H3,(H,19,20)",OJGQFYYLKNCIJD-UHFFFAOYSA-N,C16H14N2O2,266.29,266.1055277,3.5,54.6,352,0,1,3,3,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ZOLPIDEM,082626-48-0,5732,"N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide",CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C,"InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3",ZAFYATHCZYHLPB-UHFFFAOYSA-N,C19H21N3O,307.4,307.1684623,2.5,37.6,417,0,0,2,3,23,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1
"Imidazo(1,2-a)pyridine, 2-(p-nitrophenyl)-",3323-26-0,201134,"2-(4-nitrophenyl)imidazo[1,2-a]pyridine",C1=CC2=NC(=CN2C=C1)C3=CC=C(C=C3)[N+](=O)[O-],InChI=1S/C13H9N3O2/c17-16(18)11-6-4-10(5-7-11)12-9-15-8-2-1-3-13(15)14-12/h1-9H,SNBCSKCONKUZBA-UHFFFAOYSA-N,C13H9N3O2,239.23,239.0694765,3.3,63.1,310,0,0,3,1,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Imidazo(1,2-a)pyridine, 3-amino-2-phenyl-",3999-29-9,199307,"2-phenylimidazo[1,2-a]pyridin-3-amine",C1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)N,"InChI=1S/C13H11N3/c14-13-12(10-6-2-1-3-7-10)15-11-8-4-5-9-16(11)13/h1-9H,14H2",RJGJCHYNEWULMZ-UHFFFAOYSA-N,C13H11N3,209.25,209.0952974,3.1,43.3,237,0,1,2,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Imidazo(1,2-a)pyridine-3-acetamide, 6-chloro-2-(4-chlorophenyl)-N,N-dipropyl-",82626-01-5,54897,"2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide",CCCN(CCC)C(=O)CC1=C(N=C2N1C=C(C=C2)Cl)C3=CC=C(C=C3)Cl,"InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3",JRTIDHTUMYMPRU-UHFFFAOYSA-N,C21H23Cl2N3O,404.3,403.1218178,4.8,37.6,478,0,0,2,7,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Imidazo(1,2-a)pyridine-3-acetic acid, 2-(p-chlorophenyl)-",17745-06-1,87285,"2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid",C1=CC2=NC(=C(N2C=C1)CC(=O)O)C3=CC=C(C=C3)Cl,"InChI=1S/C15H11ClN2O2/c16-11-6-4-10(5-7-11)15-12(9-14(19)20)18-8-2-1-3-13(18)17-15/h1-8H,9H2,(H,19,20)",ZPHLXYYPDRCBMG-UHFFFAOYSA-N,C15H11ClN2O2,286.71,286.0509053,2.5,54.6,358,0,1,3,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Benzimidazole, 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sul",073590-58-6,4594,"6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole",CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC,"InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)",SUBDBMMJDZJVOS-UHFFFAOYSA-N,C17H19N3O3S,345.4,345.1147127,2.2,96.3,453,0,1,6,5,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Benzimidazole, 5-(difluoromethoxy)-2-(((3,4-dimethoxy-2-pyridinyl)methyl)sulfinyl)-",102625-70-7,4679,"6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole",COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC,"InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)",IQPSEEYGBUAQFF-UHFFFAOYSA-N,C16H15F2N3O4S,383.4,383.0751335,2.4,106,490,0,1,9,7,26,,586.9±60.0 °C at 760 mmHg,1,1,1,1,0,1,1,1,0,0,1,0,0,0,0,0,1,0,0,1
"1H-Benzimidazole, 5-methoxy-2-((S)-((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-",119141-88-7,9568614,"6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole",CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C(N2)C=C(C=C3)OC,"InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m0/s1",SUBDBMMJDZJVOS-DEOSSOPVSA-N,C17H19N3O3S,345.4,345.1147127,2.2,96.3,453,0,1,6,5,24,,,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"1H-Benzimidazole, 5-(difluoromethoxy)-2-(((3,4-dimethoxy-2-pyridinyl)methyl)sulfinyl)-,sodium salt",138786-67-1,9822649,,COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC.[Na],"InChI=1S/C16H15F2N3O4S.Na/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16;/h3-7,15H,8H2,1-2H3,(H,20,21);",WHCXDEORRDVLKS-UHFFFAOYSA-N,C16H15F2N3NaO4S,406.4,406.0649028,,106,490,0,1,9,7,27,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ERYTHROMYCIN,000114-07-8,12560,"(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione",CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O,"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",ULGZDMOVFRHVEP-RWJQBGPGSA-N,C37H67NO13,733.9,733.4612412,2.7,194,1180,0,5,14,7,51,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,1,0,0
"Erythromycin, stearate (salt)",643-22-1,12559,"(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;octadecanoic acid",CCCCCCCCCCCCCCCCCC(=O)O.CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O,"InChI=1S/C37H67NO13.C18H36O2/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;2-17H2,1H3,(H,19,20)/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-;/m1./s1",YAVZHCFFUATPRK-YZPBMOCRSA-N,C55H103NO15,1018.4,1017.732772,,231,1380,0,6,16,23,71,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
"Erythromycin, propionate (ester), compd. with monododecyl sulfate (1:1)",3521-62-8,441371,"[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] propanoate;dodecyl hydrogen sulfate",CCCCCCCCCCCCOS(=O)(=O)O.CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)OC(=O)CC)(C)O)C)C)O)(C)O,"InChI=1S/C40H71NO14.C12H26O4S/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3;2-12H2,1H3,(H,13,14,15)/t20-,21-,22+,23+,24-,25+,26+,27-,29+,31+,32-,33-,34+,35-,37+,38-,39-,40-;/m1./s1",AWMFUEJKWXESNL-JZBHMOKNSA-N,C52H97NO18S,1056.4,1055.642636,,272,1550,0,5,19,22,72,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Erythromycin, 12-deoxy-",527-75-3,9918244,"(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione",CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)C,"InChI=1S/C37H67NO12/c1-14-26-20(4)29(40)21(5)28(39)18(2)16-36(9,44)33(50-35-30(41)25(38(11)12)15-19(3)46-35)22(6)31(23(7)34(43)48-26)49-27-17-37(10,45-13)32(42)24(8)47-27/h18-27,29-33,35,40-42,44H,14-17H2,1-13H3/t18-,19-,20+,21+,22+,23-,24+,25+,26-,27+,29+,30-,31+,32+,33-,35+,36-,37-/m1/s1",IDRYSCOQVVUBIJ-PPGFLMPOSA-N,C37H67NO12,717.9,717.4663266,3.9,174,1130,0,4,13,7,50,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Succinic acid, monoethyl ester, monoester with erythromycin",1264-62-6,443953,"4-O-[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] 1-O-ethyl butanedioate",CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)OC(=O)CCC(=O)OCC)(C)O)C)C)O)(C)O,"InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,32+,34+,35-,36-,37+,38-,40+,41-,42-,43-/m1/s1",NSYZCCDSJNWWJL-YXOIYICCSA-N,C43H75NO16,862.1,861.5085853,3.4,226,1450,0,4,17,14,60,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
"CHROMATE(3-), BIS[2-HYDROXY-5-NITRO-3-[[2-OXO-1-[(PHENYLAMINO)CARBONYL]PROPYL]",072796-99-7,135885505,bis(3-[[(Z)-1-anilino-3-oxido-1-oxobut-2-en-2-yl]diazenyl]-5-nitro-2-oxidobenzenesulfonate);chromium(3+);hydron,[H+].[H+].[H+].C/C(=C(/N=NC1=C(C(=CC(=C1)[N+](=O)[O-])S(=O)(=O)[O-])[O-])\C(=O)NC2=CC=CC=C2)/[O-].C/C(=C(/N=NC1=C(C(=CC(=C1)[N+](=O)[O-])S(=O)(=O)[O-])[O-])\C(=O)NC2=CC=CC=C2)/[O-].[Cr+3],"InChI=1S/2C16H14N4O8S.Cr/c2*1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28;/h2*2-8,21-22H,1H3,(H,17,23)(H,26,27,28);/q;;+3/p-3/b2*14-9-,19-18?;",GRLRNCCXFHPRFR-DLBPJBMTSA-K,C32H25CrN8O16S2,893.7,893.023499,,423,766,0,5,20,8,59,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"COBALTATE(1-), BIS[N-(2-CHLOROPHENYL)-2-[[2-HYDROXY-5-[(METHYLAMINO)SULFONYL]P",070247-74-4,138395119,sodium;bis(2-[[(Z)-1-(2-chloroanilino)-3-oxido-1-oxobut-2-en-2-yl]diazenyl]-4-(methylsulfamoyloxy)phenolate);cobalt(3+),C/C(=C(/N=NC1=C(C=CC(=C1)OS(=O)(=O)NC)[O-])\C(=O)NC2=CC=CC=C2Cl)/[O-].C/C(=C(/N=NC1=C(C=CC(=C1)OS(=O)(=O)NC)[O-])\C(=O)NC2=CC=CC=C2Cl)/[O-].[Na+].[Co+3],"InChI=1S/2C17H17ClN4O6S.Co.Na/c2*1-10(23)16(17(25)20-13-6-4-3-5-12(13)18)22-21-14-9-11(7-8-15(14)24)28-29(26,27)19-2;;/h2*3-9,19,23-24H,1-2H3,(H,20,25);;/q;;+3;+1/p-4/b2*16-10-,22-21?;;",ZSNDYTLVLKOMFC-CFJSGORNSA-J,C34H30Cl2CoN8NaO12S2,959.6,958.003129,,327,739,0,4,18,14,60,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"COBALTATE(1-), BIS[2-[(2-HYDROXY-4-NITROPHENYL)AZO]-3-OXO-N-PHENYLBUTANAMIDATO",081361-02-6,135941731,sodium;bis(2-[[(Z)-1-anilino-3-oxido-1-oxobut-2-en-2-yl]diazenyl]-5-nitrophenolate);cobalt(3+),C/C(=C(/N=NC1=C(C=C(C=C1)[N+](=O)[O-])[O-])\C(=O)NC2=CC=CC=C2)/[O-].C/C(=C(/N=NC1=C(C=C(C=C1)[N+](=O)[O-])[O-])\C(=O)NC2=CC=CC=C2)/[O-].[Na+].[Co+3],"InChI=1S/2C16H14N4O5.Co.Na/c2*1-10(21)15(16(23)17-11-5-3-2-4-6-11)19-18-13-8-7-12(20(24)25)9-14(13)22;;/h2*2-9,21-22H,1H3,(H,17,23);;/q;;+3;+1/p-4/b2*15-10-,19-18?;;",JDJAVCBJHLPFJV-TUVBUYJCSA-J,C32H24CoN8NaO10,762.5,762.084502,,292,551,0,2,14,8,52,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
FAST GREEN FCF,002353-45-9,16887,"disodium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-5-hydroxybenzenesulfonate",CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=C(C=C(C=C5)O)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C37H36N2O10S3.2Na/c1-3-38(24-26-7-5-9-33(21-26)50(41,42)43)30-15-11-28(12-16-30)37(35-20-19-32(40)23-36(35)52(47,48)49)29-13-17-31(18-14-29)39(4-2)25-27-8-6-10-34(22-27)51(44,45)46;;/h5-23H,3-4,24-25H2,1-2H3,(H3,41,42,43,44,45,46,47,48,49);;/q;2*+1/p-2",RZSYLLSAWYUBPE-UHFFFAOYSA-L,C37H34N2Na2O10S3,808.9,808.1170974,,223,1540,0,1,11,9,54,,,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,0,1,0,0,1
LIGHT GREEN SF YELLOWISH,005141-20-8,21223,"disodium;3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-(4-sulfonatophenyl)methyl]anilino]methyl]benzenesulfonate",CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C37H36N2O9S3.2Na/c1-3-38(25-27-7-5-9-35(23-27)50(43,44)45)32-17-11-29(12-18-32)37(31-15-21-34(22-16-31)49(40,41)42)30-13-19-33(20-14-30)39(4-2)26-28-8-6-10-36(24-28)51(46,47)48;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2",DGOBMKYRQHEFGQ-UHFFFAOYSA-L,C37H34N2Na2O9S3,792.9,792.1221828,,203,1500,0,0,10,9,53,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEMETHANAMINIUM, N-[4-[[4-(DIETHYLAMINO)PHENYL][4-[ETHYL[(3-SULFOPHENYL)M",004129-84-4,131853783,,CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC3=CC(=CC=C3)S(=O)(=O)O)C=C2)C4=CC=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)[O-].[Na],"InChI=1S/C41H45N3O6S2.Na/c1-5-42(6-2)36-21-15-33(16-22-36)41(34-17-23-37(24-18-34)43(7-3)29-31-11-9-13-39(27-31)51(45,46)47)35-19-25-38(26-20-35)44(8-4)30-32-12-10-14-40(28-32)52(48,49)50;/h9-28H,5-8,29-30H2,1-4H3,(H-,45,46,47,48,49,50);",MPLTZBTUVWWVEJ-UHFFFAOYSA-N,C41H45N3NaO6S2,762.9,762.2647478,,138,1470,0,1,8,13,53,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEMETHANAMINIUM, N-[4-[[4-(DIETHYLAMINO)-2-METHYLPHENYL][4-[ETHYL[(3-SULF",005863-46-7,22151,"sodium 3-[[4-[[4-(diethylamino)-2-methylphenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate",CCN(CC)C1=CC(=C(C=C1)C(=C2C=CC(=[N+](CC)CC3=CC(=CC=C3)S(=O)(=O)[O-])C=C2)C4=CC=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)[O-])C.[Na+],"InChI=1S/C42H47N3O6S2.Na/c1-6-43(7-2)38-24-25-41(31(5)26-38)42(34-16-20-36(21-17-34)44(8-3)29-32-12-10-14-39(27-32)52(46,47)48)35-18-22-37(23-19-35)45(9-4)30-33-13-11-15-40(28-33)53(49,50)51;/h10-28H,6-9,29-30H2,1-5H3,(H-,46,47,48,49,50,51);/q;+1/p-1",IXNUVCLIRYUKFB-UHFFFAOYSA-M,C42H46N3NaO6S2,776,775.2725728,,141,1410,0,0,8,12,54,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEMETHANAMINIUM, N-ETHYL-N-[4-[[4-[ETHYL[(3-SULFOPHENYL)METHYL]AMINO]PHEN",068921-42-6,123671,"3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-(2-sulfophenyl)methyl]anilino]methyl]benzenesulfonate",CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)O)C=C3)C5=CC=CC=C5S(=O)(=O)O,"InChI=1S/C37H36N2O9S3/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48)",CTRXDTYTAAKVSM-UHFFFAOYSA-N,C37H36N2O9S3,748.9,748.1582943,4.7,197,1630,0,2,10,11,51,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"HEXANAMIDE, 2-[2,4-BIS(1,1-DIMETHYLPROPYL)PHENOXY]-N-[4-[(2,2,3,3,4,4,4-HEPTAF",002923-93-5,102904,"2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-hydroxyphenyl]hexanamide",CCCCC(C(=O)NC1=CC(=C(C=C1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)O)OC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC,"InChI=1S/C32H41F7N2O4/c1-8-11-12-25(45-24-16-13-19(28(4,5)9-2)17-21(24)29(6,7)10-3)26(43)40-20-14-15-22(23(42)18-20)41-27(44)30(33,34)31(35,36)32(37,38)39/h13-18,25,42H,8-12H2,1-7H3,(H,40,43)(H,41,44)",FVSDJPACEHXABM-UHFFFAOYSA-N,C32H41F7N2O4,650.7,650.2954549,10.3,87.7,989,0,3,11,14,45,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETAMIDE, 2-[2,4-BIS(1,1-DIMETHYLPROPYL)PHENOXY]-N-(3,5-DICHLORO-2-HYDROXY-4-",020364-09-4,88509,"2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(3,5-dichloro-2-hydroxy-4-methylphenyl)acetamide",CCC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC(=C(C(=C2O)Cl)C)Cl)C(C)(C)CC,"InChI=1S/C25H33Cl2NO3/c1-8-24(4,5)16-10-11-20(17(12-16)25(6,7)9-2)31-14-21(29)28-19-13-18(26)15(3)22(27)23(19)30/h10-13,30H,8-9,14H2,1-7H3,(H,28,29)",RGIVHZWXUHEZIP-UHFFFAOYSA-N,C25H33Cl2NO3,466.4,465.1837493,8.5,58.6,597,0,2,3,8,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANAMIDE, 2-[2,4-BIS(1,1-DIMETHYLPROPYL)PHENOXY]-N-(3,5-DICHLORO-2-HYDROXY-4",031037-84-0,161688,"2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(3,5-dichloro-2-hydroxy-4-methylphenyl)butanamide",CCC(C(=O)NC1=CC(=C(C(=C1O)Cl)C)Cl)OC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC,"InChI=1S/C27H37Cl2NO3/c1-9-21(25(32)30-20-15-19(28)16(4)23(29)24(20)31)33-22-13-12-17(26(5,6)10-2)14-18(22)27(7,8)11-3/h12-15,21,31H,9-11H2,1-8H3,(H,30,32)",GRPPLTVZUQVNQK-UHFFFAOYSA-N,C27H37Cl2NO3,494.5,493.2150494,9.4,58.6,641,0,2,3,9,33,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, 2-(4-acetylphenoxy)-N-phenyl-",17172-76-8,204987,2-(4-acetylphenoxy)-N-phenylacetamide,CC(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2,"InChI=1S/C16H15NO3/c1-12(18)13-7-9-15(10-8-13)20-11-16(19)17-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,19)",DXESJQGQMNZOFZ-UHFFFAOYSA-N,C16H15NO3,269.29,269.1051933,2.4,55.4,329,0,1,3,5,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-PYRAN-2-ONE, TETRAHYDRO-6-(2-PENTENYL)-, (Z)-",025524-95-2,5352626,6-[(Z)-pent-2-enyl]oxan-2-one,CC/C=C\CC1CCCC(=O)O1,"InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h3-4,9H,2,5-8H2,1H3/b4-3-",XPPALVZZCMPTIV-ARJAWSKDSA-N,C10H16O2,168.23,168.1150297,2.4,26.3,173,0,0,2,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-Pyran-2-one, tetrahydro-4,4-dimethyl-",22791-80-6,211260,"4,4-dimethyloxan-2-one",CC1(CCOC(=O)C1)C,"InChI=1S/C7H12O2/c1-7(2)3-4-9-6(8)5-7/h3-5H2,1-2H3",QBEOGDDXOQMTPC-UHFFFAOYSA-N,C7H12O2,128.17,128.0837296,1.4,26.3,127,0,0,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DELTA-VALEROLACTONE,000542-28-9,10953,oxan-2-one,C1CCOC(=O)C1,InChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2,OZJPLYNZGCXSJM-UHFFFAOYSA-N,C5H8O2,100.12,100.0524295,-0.3,26.3,78,0,0,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
TETRAHYDRO-6-METHYL-2H-PYRAN-2-ONE,000823-22-3,13204,6-methyloxan-2-one,CC1CCCC(=O)O1,"InChI=1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3",RZTOWFMDBDPERY-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,1,26.3,98,0,0,2,0,8,,110.00 to 112.00 °C. @ 15.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2H-Pyran-2-one, tetrahydro-3-methyl-",10603-03-9,114426,3-methyloxan-2-one,CC1CCCOC1=O,"InChI=1S/C6H10O2/c1-5-3-2-4-8-6(5)7/h5H,2-4H2,1H3",SPEHEHYVDRYEDX-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,1.1,26.3,98,0,0,2,0,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
CELECOXIB,169590-42-5,2662,4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide,CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F,"InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)",RZEKVGVHFLEQIL-UHFFFAOYSA-N,C17H14F3N3O2S,381.4,381.0758824,3.4,86.4,577,0,1,7,3,26,,529.0±60.0,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,1,0,0
"1H-Pyrazole-3-propanamide, 5-(4-chlorophenyl)-N-hydroxy-1-(4-methoxyphenyl)-N-methyl-",103475-41-8,59757,3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpropanamide,CN(C(=O)CCC1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC)O,"InChI=1S/C20H20ClN3O3/c1-23(26)20(25)12-7-16-13-19(14-3-5-15(21)6-4-14)24(22-16)17-8-10-18(27-2)11-9-17/h3-6,8-11,13,26H,7,12H2,1-2H3",XYKWNRUXCOIMFZ-UHFFFAOYSA-N,C20H20ClN3O3,385.8,385.1193192,3.4,67.6,479,0,1,4,6,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrazole, 5-(4-fluorophenyl)-1-(4-(methylsulfonyl)phenyl)-3-(trifluoromethyl)-",162054-19-5,115239,5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole,CS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)F,"InChI=1S/C17H12F4N2O2S/c1-26(24,25)14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3",JHBIMJKLBUMNAU-UHFFFAOYSA-N,C17H12F4N2O2S,384.3,384.0555615,3.8,60.3,577,0,0,7,3,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrazole, 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-",188817-13-2,4306515,5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole,COC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)Cl,"InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3",PQUGCKBLVKJMNT-UHFFFAOYSA-N,C17H12ClF3N2O,352.7,352.0590252,5.1,27.1,407,0,0,5,3,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AM 4113,,66844170,"5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide",CC1=C(N(N=C1C(=O)N)C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)Cl,"InChI=1S/C17H12Cl3N3O/c1-9-15(17(21)24)22-23(14-7-6-12(19)8-13(14)20)16(9)10-2-4-11(18)5-3-10/h2-8H,1H3,(H2,21,24)",BBUKVPCUOHFAQN-UHFFFAOYSA-N,C17H12Cl3N3O,380.7,379.004595,5,60.9,458,0,1,2,3,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ISOPRPOYLAMINE SALT OF IMAZAPYR (IMAZAPYR ISOPROPYLAMINE SALT),081510-83-0,62286,2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;propan-2-amine,CC(C)C1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)O)C.CC(C)N,"InChI=1S/C13H15N3O3.C3H9N/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9;1-3(2)4/h4-7H,1-3H3,(H,17,18)(H,15,16,19);3H,4H2,1-2H3",KCTKQZUYHSKJLP-UHFFFAOYSA-N,C16H24N4O3,320.39,320.1848406,,118,444,0,3,6,3,23,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Pyridinecarboxylic acid, 2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-ethyl-, (+-)-",81335-77-5,54740,5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid,CCC1=CC(=C(N=C1)C2=NC(C(=O)N2)(C)C(C)C)C(=O)O,"InChI=1S/C15H19N3O3/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21)",XVOKUMIPKHGGTN-UHFFFAOYSA-N,C15H19N3O3,289.33,289.1426415,2,91.7,475,0,2,5,4,21,,180 °C (decomposes),1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Pyridinecarboxylic acid, 2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-ethyl-, ammonium salt",101917-66-2,175888,azanium 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate,CCC1=CC(=C(N=C1)C2=NC(C(=O)N2)(C)C(C)C)C(=O)[O-].[NH4+],"InChI=1S/C15H19N3O3.H3N/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3;/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21);1H3",QRSHQJLLXXEYPS-UHFFFAOYSA-N,C15H22N4O3,306.36,306.1691906,,95.5,469,0,2,5,3,22,,,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-Pyridinecarboxylic acid, 2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-methyl-",104098-48-8,91770,5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid,CC1=CC(=C(N=C1)C2=NC(C(=O)N2)(C)C(C)C)C(=O)O,"InChI=1S/C14H17N3O3/c1-7(2)14(4)13(20)16-11(17-14)10-9(12(18)19)5-8(3)6-15-10/h5-7H,1-4H3,(H,18,19)(H,16,17,20)",PVSGXWMWNRGTKE-UHFFFAOYSA-N,C14H17N3O3,275.3,275.1269914,1.6,91.7,461,0,2,5,3,20,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Pyridinecarboxylic acid, 2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-(methoxymethyl)-",114311-32-9,86137,5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid,CC(C)C1(C(=O)NC(=N1)C2=C(C=C(C=N2)COC)C(=O)O)C,"InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)",NUPJIGQFXCQJBK-UHFFFAOYSA-N,C15H19N3O4,305.33,305.1375561,0.9,101,491,0,2,6,5,22,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
IMAZAPYR,081334-34-1,54738,2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid,CC(C)C1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)O)C,"InChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19)",CLQMBPJKHLGMQK-UHFFFAOYSA-N,C13H15N3O3,261.28,261.1113414,1.2,91.7,433,0,2,5,3,19,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Isonipecotamide, 1-(3-(2-chlorophenothiazin-10-yl)propyl)-",84-04-8,6761,1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxamide,C1CN(CCC1C(=O)N)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl,"InChI=1S/C21H24ClN3OS/c22-16-6-7-20-18(14-16)25(17-4-1-2-5-19(17)27-20)11-3-10-24-12-8-15(9-13-24)21(23)26/h1-2,4-7,14-15H,3,8-13H2,(H2,23,26)",OSJJYEUEJRVVOD-UHFFFAOYSA-N,C21H24ClN3OS,402,401.1328613,4.4,74.9,514,0,1,4,5,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenothiazine-2-carbonitrile, 10-(3-(4-hydroxypiperidino)propyl)-",2622-26-6,4747,10-[3-(4-hydroxypiperidin-1-yl)propyl]phenothiazine-2-carbonitrile,C1CN(CCC1O)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C#N,"InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2",LUALIOATIOESLM-UHFFFAOYSA-N,C21H23N3OS,365.5,365.1561835,3.5,75.8,513,0,1,5,4,26,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Isonipecotamide, 1-(3-(2-(methylsulfonyl)phenothiazin-10-yl)propyl)-",14008-44-7,26388,1-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide,CS(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)C(=O)N,"InChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)",BQDBKDMTIJBJLA-UHFFFAOYSA-N,C22H27N3O3S2,445.6,445.1493841,3.1,117,703,0,1,6,6,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hexadecanoic acid, 2-(1-(3-(2-((dimethylamino)sulfonyl)-10H-phenothiazin-10-yl)propyl)-4-piperidinyl)ethyl ester",37517-26-3,37767,2-[1-[3-[2-(dimethylsulfamoyl)phenothiazin-10-yl]propyl]piperidin-4-yl]ethyl hexadecanoate,CCCCCCCCCCCCCCCC(=O)OCCC1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C,"InChI=1S/C40H63N3O4S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-40(44)47-32-27-34-25-30-42(31-26-34)28-19-29-43-36-20-17-18-21-38(36)48-39-24-23-35(33-37(39)43)49(45,46)41(2)3/h17-18,20-21,23-24,33-34H,4-16,19,22,25-32H2,1-3H3",KTOYYUONFQWSMW-UHFFFAOYSA-N,C40H63N3O4S2,714.1,713.4259999,11.6,104,1010,0,0,8,24,49,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"10H-Phenothiazine-2-sulfonamide, 10-(3-(4-(2-hydroxyethyl)-1-piperidinyl)propyl)-N,N-dimethyl-",39860-99-6,62867,"10-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propyl]-N,N-dimethylphenothiazine-2-sulfonamide",CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)CCO,"InChI=1S/C24H33N3O3S2/c1-25(2)32(29,30)20-8-9-24-22(18-20)27(21-6-3-4-7-23(21)31-24)14-5-13-26-15-10-19(11-16-26)12-17-28/h3-4,6-9,18-19,28H,5,10-17H2,1-2H3",JOMHSQGEWSNUKU-UHFFFAOYSA-N,C24H33N3O3S2,475.7,475.1963343,3.5,97.8,691,0,1,7,8,32,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 3-methyl-",85-90-5,66569,3-methylchromen-4-one,CC1=COC2=CC=CC=C2C1=O,"InChI=1S/C10H8O2/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/h2-6H,1H3",ABJKIHHNDMEBNA-UHFFFAOYSA-N,C10H8O2,160.17,160.0524295,1.9,26.3,230,0,0,2,0,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-2-carboxylic acid, 4-oxo-",4940-39-0,2741,4-oxochromene-2-carboxylic acid,C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)O,"InChI=1S/C10H6O4/c11-7-5-9(10(12)13)14-8-4-2-1-3-6(7)8/h1-5H,(H,12,13)",RVMGXWBCQGAWBR-UHFFFAOYSA-N,C10H6O4,190.15,190.0266087,1.6,63.6,305,0,1,4,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-1-Benzopyran-2-carboxylic acid, 6-chloro-4-oxo-",5006-45-1,21107,6-chloro-4-oxochromene-2-carboxylic acid,C1=CC2=C(C=C1Cl)C(=O)C=C(O2)C(=O)O,"InChI=1S/C10H5ClO4/c11-5-1-2-8-6(3-5)7(12)4-9(15-8)10(13)14/h1-4H,(H,13,14)",HALQFUWRVXLBIS-UHFFFAOYSA-N,C10H5ClO4,224.59,223.9876363,2.3,63.6,336,0,1,4,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Chromone, 5,8-dimethoxy-2-methyl-",7154-68-9,23543,"5,8-dimethoxy-2-methylchromen-4-one",CC1=CC(=O)C2=C(C=CC(=C2O1)OC)OC,"InChI=1S/C12H12O4/c1-7-6-8(13)11-9(14-2)4-5-10(15-3)12(11)16-7/h4-6H,1-3H3",UFCZYGOJPCRTPW-UHFFFAOYSA-N,C12H12O4,220.22,220.0735589,1.9,44.8,310,0,0,4,2,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Chromone, 5,7-dimethoxy-2-(4,6-dimethoxy-3,5,11-trimethyl-7,9,11-tridecatrienyl)-8-hydroxy-3-methyl-, (E,E,E)-",91682-96-1,447884,"2-[(3S,4S,5S,6S,7E,9E,11E)-4,6-dimethoxy-3,5,11-trimethyltrideca-7,9,11-trienyl]-8-hydroxy-5,7-dimethoxy-3-methylchromen-4-one",C/C=C(\C)/C=C/C=C/[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)C2=C(O1)C(=C(C=C2OC)OC)O)C)OC)OC,"InChI=1S/C30H42O7/c1-10-18(2)13-11-12-14-22(33-6)21(5)29(36-9)19(3)15-16-23-20(4)27(31)26-24(34-7)17-25(35-8)28(32)30(26)37-23/h10-14,17,19,21-22,29,32H,15-16H2,1-9H3/b13-11+,14-12+,18-10+/t19-,21+,22-,29-/m0/s1",UZHDGDDPOPDJGM-CVOZLMQJSA-N,C30H42O7,514.6,514.2930537,6.3,83.5,858,0,1,7,13,37,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1,2,4-Triazol-5-ol, 2-phenyl-",939-07-1,135418902,"3-phenyl-1,4-dihydro-1,2,4-triazol-5-one",C1=CC=C(C=C1)C2=NNC(=O)N2,"InChI=1S/C8H7N3O/c12-8-9-7(10-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11,12)",FFSXNTGAFSVILG-UHFFFAOYSA-N,C8H7N3O,161.16,161.0589119,0.9,53.5,218,0,2,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(4-methylphenyl)-",117258-23-8,3088276,"4-methyl-3-(4-methylphenyl)-1H-1,2,4-triazol-5-one",CC1=CC=C(C=C1)C2=NNC(=O)N2C,"InChI=1S/C10H11N3O/c1-7-3-5-8(6-4-7)9-11-12-10(14)13(9)2/h3-6H,1-2H3,(H,12,14)",MEIWMIJMSLTVRC-UHFFFAOYSA-N,C10H11N3O,189.21,189.090212,1.4,44.7,267,0,1,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-1,2,4-Triazol-3-one, 1,2-dihydro-2-methyl-5-phenyl-",54034-38-7,135418901,"2-methyl-5-phenyl-4H-1,2,4-triazol-3-one",CN1C(=O)NC(=N1)C2=CC=CC=C2,"InChI=1S/C9H9N3O/c1-12-9(13)10-8(11-12)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,11,13)",VVUPNBPFNVLLEH-UHFFFAOYSA-N,C9H9N3O,175.19,175.0745619,1,44.7,243,0,1,2,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-4-methyl-",116114-20-6,3087749,"3-(4-chlorophenyl)-4-methyl-1H-1,2,4-triazol-5-one",CN1C(=NNC1=O)C2=CC=C(C=C2)Cl,"InChI=1S/C9H8ClN3O/c1-13-8(11-12-9(13)14)6-2-4-7(10)5-3-6/h2-5H,1H3,(H,12,14)",FMUWJXJGJZXYJN-UHFFFAOYSA-N,C9H8ClN3O,209.63,209.0355896,1.7,44.7,271,0,1,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-methoxyphenyl)-4-methyl-",129521-49-9,3075981,"3-(4-methoxyphenyl)-4-methyl-1H-1,2,4-triazol-5-one",CN1C(=NNC1=O)C2=CC=C(C=C2)OC,"InChI=1S/C10H11N3O2/c1-13-9(11-12-10(13)14)7-3-5-8(15-2)6-4-7/h3-6H,1-2H3,(H,12,14)",DXQFDIPJCAMXTM-UHFFFAOYSA-N,C10H11N3O2,205.21,205.0851266,1,53.9,282,0,1,3,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-Proline, 1-(N-(1-(ethoxycarbonyl)-3-phenylpropyl)-L-alanyl)-, (S)-, (Z)-2- b",076095-16-4,5388961,(Z)-but-2-enedioic acid;(2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C20H28N2O5.C4H4O4/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25;5-3(6)1-2-4(7)8/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,16-,17-;/m0./s1",OYFJQPXVCSSHAI-QFPUQLAESA-N,C24H32N2O9,492.5,492.2107806,,171,637,0,4,10,12,35,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,1,0
ENALAPRIL,075847-73-3,5388962,(2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O,"InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1",GBXSMTUPTTWBMN-XIRDDKMYSA-N,C20H28N2O5,376.4,376.199822,-0.1,95.9,519,0,2,6,10,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0
"L-Proline, N-((1S)-1-carboxy-3-phenylpropyl)-L-alanyl-, dihydrate",84680-54-6,6917719,(2S)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]pyrrolidine-2-carboxylic acid;dihydrate,C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](CCC2=CC=CC=C2)C(=O)O.O.O,"InChI=1S/C18H24N2O5.2H2O/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13;;/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25);2*1H2/t12-,14-,15-;;/m0../s1",MZYVOFLIPYDBGD-MLZQUWKJSA-N,C18H28N2O7,384.4,384.1896512,,109,490,0,5,8,8,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,1
LISINOPRIL,076547-98-3,5362119,(2S)-1-[(2S)-6-amino-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid,C1C[C@H](N(C1)C(=O)[C@H](CCCCN)N[C@@H](CCC2=CC=CC=C2)C(=O)O)C(=O)O,"InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1",RLAWWYSOJDYHDC-BZSNNMDCSA-N,C21H31N3O5,405.5,405.2263711,-2.9,133,550,0,4,7,12,29,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"1-METHYL-1,4-CYCLOHEXADIENE",004313-57-9,78006,"1-methylcyclohexa-1,4-diene",CC1=CCC=CC1,"InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h2-3,6H,4-5H2,1H3",QDXQAOGNBCOEQX-UHFFFAOYSA-N,C7H10,94.15,94.07825032,2.1,0,107,0,0,0,0,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
PREPHENIC ACID BARIUM,002931-08-0,71308326,"barium(2+);1-(2-carboxylato-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylate",C1=CC(C=CC1O)(CC(=O)C(=O)[O-])C(=O)[O-].[Ba+2],"InChI=1S/C10H10O6.Ba/c11-6-1-3-10(4-2-6,9(15)16)5-7(12)8(13)14;/h1-4,6,11H,5H2,(H,13,14)(H,15,16);/q;+2/p-2",XXHDQWSGCJPALI-UHFFFAOYSA-L,C10H8BaO6,361.49,361.937335,,118,367,0,1,6,2,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXADIENEETHANOL, 4-(1-METHYLETHYL)-, FORMATE",068683-20-5,111516,"2-(4-propan-2-ylcyclohexa-1,4-dien-1-yl)ethyl formate",CC(C)C1=CCC(=CC1)CCOC=O,"InChI=1S/C12H18O2/c1-10(2)12-5-3-11(4-6-12)7-8-14-9-13/h3,6,9-10H,4-5,7-8H2,1-2H3",VQKSHQQZPYHYOS-UHFFFAOYSA-N,C12H18O2,194.27,194.1306798,2.6,26.3,249,0,0,2,5,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"2-Oxazolamine, 4,5-dihydro-5-((4-methyl-1-piperazinyl)methyl)-",91595-70-9,558521,"1,3-oxazol-2-amine",C1=COC(=N1)N,"InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)",ACTKAGSPIFDCMF-UHFFFAOYSA-N,C3H4N2O,84.08,84.03236276,-0.2,52.1,48,0,1,3,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Oxazolecarboxylic acid, 2-((1E,16E)-6-(((5E)-9-(2-(methoxycarbonyl)-4-oxazolyl)-3-hydroxy-9-methoxy-8-methyl-1,7-dioxo-5-nonenyl)oxy)-17-(formylmethylamino)-8,14-dimethoxy-5,9,13-trimethyl-12-oxo-1,16-heptadecadienyl)-, methyl ester",,14281430,"1,3-oxazole-4-carboxylic acid",C1=C(N=CO1)C(=O)O,"InChI=1S/C4H3NO3/c6-4(7)3-1-8-2-5-3/h1-2H,(H,6,7)",JBCFJMYPJJWIRG-UHFFFAOYSA-N,C4H3NO3,113.07,113.011293,0.2,63.3,103,0,1,4,1,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OXAZOLE, 2-ETHYL-4,5-DIMETHYL-",053833-30-0,62069,"2-ethyl-4,5-dimethyl-1,3-oxazole",CCC1=NC(=C(O1)C)C,"InChI=1S/C7H11NO/c1-4-7-8-5(2)6(3)9-7/h4H2,1-3H3",LCYOFVYHDBWYSI-UHFFFAOYSA-N,C7H11NO,125.17,125.084064,2,26,94,0,0,2,1,9,,60.00 °C. @ 18.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"OXAZOLE, 4,5-DIMETHYL-2-PROPYL-",053833-32-2,104620,"4,5-dimethyl-2-propyl-1,3-oxazole",CCCC1=NC(=C(O1)C)C,"InChI=1S/C8H13NO/c1-4-5-8-9-6(2)7(3)10-8/h4-5H2,1-3H3",SDRFPOFMNGISHT-UHFFFAOYSA-N,C8H13NO,139.19,139.099714,2.3,26,105,0,0,2,2,10,,188.00 to 189.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
AZETIDINE,000503-29-7,10422,azetidine,C1CNC1,"InChI=1S/C3H7N/c1-2-4-3-1/h4H,1-3H2",HONIICLYMWZJFZ-UHFFFAOYSA-N,C3H7N,57.09,57.05784923,-0.1,12,17,0,1,1,0,4,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
3-Azetidinecarboxylic acid,036476-78-5,93192,azetidine-3-carboxylic acid,C1C(CN1)C(=O)O,"InChI=1S/C4H7NO2/c6-4(7)3-1-5-2-3/h3,5H,1-2H2,(H,6,7)",GFZWHAAOIVMHOI-UHFFFAOYSA-N,C4H7NO2,101.1,101.0476785,-3.2,49.3,87,0,2,3,1,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(S)-(-)-2-AZETIDINECARBOXYLIC ACID,002133-34-8,16486,(2S)-azetidine-2-carboxylic acid,C1CN[C@@H]1C(=O)O,"InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1",IADUEWIQBXOCDZ-VKHMYHEASA-N,C4H7NO2,101.1,101.0476785,-2.9,49.3,91,0,2,3,1,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-AZETIDINEPROPANOIC ACID, ETHYL ESTER",007730-42-9,82181,ethyl 3-(azetidin-1-yl)propanoate,CCOC(=O)CCN1CCC1,"InChI=1S/C8H15NO2/c1-2-11-8(10)4-7-9-5-3-6-9/h2-7H2,1H3",JHEBCRMYKMBVBX-UHFFFAOYSA-N,C8H15NO2,157.21,157.1102787,0.6,29.5,132,0,0,3,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
CYCLOOCTANE,000292-64-8,9266,cyclooctane,C1CCCCCCC1,InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2,WJTCGQSWYFHTAC-UHFFFAOYSA-N,C8H16,112.21,112.1252005,4.5,0,24,0,0,0,0,8,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,1,0,0
CYCLOOCTANOL,000696-71-9,12766,cyclooctanol,C1CCCC(CCC1)O,"InChI=1S/C8H16O/c9-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2",FHADSMKORVFYOS-UHFFFAOYSA-N,C8H16O,128.21,128.1201151,1.6,20.2,63,0,1,1,0,9,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
CYCLOOCTANAMINE,005452-37-9,2903,cyclooctanamine,C1CCCC(CCC1)N,"InChI=1S/C8H17N/c9-8-6-4-2-1-3-5-7-8/h8H,1-7,9H2",HSOHBWMXECKEKV-UHFFFAOYSA-N,C8H17N,127.23,127.1360995,1.3,26,63,0,1,1,0,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Urea, 3-cyclooctyl-1,1-dimethyl-",2163-69-1,16554,"3-cyclooctyl-1,1-dimethylurea",CN(C)C(=O)NC1CCCCCCC1,"InChI=1S/C11H22N2O/c1-13(2)11(14)12-10-8-6-4-3-5-7-9-10/h10H,3-9H2,1-2H3,(H,12,14)",DQZCVNGCTZLGAQ-UHFFFAOYSA-N,C11H22N2O,198.31,198.1732133,2.4,32.3,172,0,1,1,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOOCTANECARBOXYLIC ACID, METHYL ESTER",003724-54-7,77313,methyl cyclooctanecarboxylate,COC(=O)C1CCCCCCC1,"InChI=1S/C10H18O2/c1-12-10(11)9-7-5-3-2-4-6-8-9/h9H,2-8H2,1H3",RGWPTUUKSDBWRA-UHFFFAOYSA-N,C10H18O2,170.25,170.1306798,3.3,26.3,135,0,0,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-METHYLHOMOPIPERAZINE,004318-37-0,228349,"1-methyl-1,4-diazepane",CN1CCCNCC1,"InChI=1S/C6H14N2/c1-8-5-2-3-7-4-6-8/h7H,2-6H2,1H3",FXHRAKUEZPSMLJ-UHFFFAOYSA-N,C6H14N2,114.19,114.1156985,-0.4,15.3,63,0,1,2,0,8,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"HEXAHYDRO-1H-1,4-DIAZEPINE",000505-66-8,68163,"1,4-diazepane",C1CNCCNC1,"InChI=1S/C5H12N2/c1-2-6-4-5-7-3-1/h6-7H,1-5H2",FQUYSHZXSKYCSY-UHFFFAOYSA-N,C5H12N2,100.16,100.1000484,-0.5,24.1,39,0,2,2,0,7,,,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"HOMOPIPERAZINE-1,4-BIS(2-ETHANESULFONIC ACID)",202185-84-0,4389145,"2-[4-(2-sulfoethyl)-1,4-diazepan-1-yl]ethanesulfonic acid",C1CN(CCN(C1)CCS(=O)(=O)O)CCS(=O)(=O)O,"InChI=1S/C9H20N2O6S2/c12-18(13,14)8-6-10-2-1-3-11(5-4-10)7-9-19(15,16)17/h1-9H2,(H,12,13,14)(H,15,16,17)",QZTMPPUJIVQNKS-UHFFFAOYSA-N,C9H20N2O6S2,316.4,316.0762787,-6.4,132,420,0,2,8,6,19,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
OCTAMETHYLCYCLOTETRASILOXANE,000556-67-2,11169,"2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane",C[Si]1(O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)C,"InChI=1S/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3",HMMGMWAXVFQUOA-UHFFFAOYSA-N,C8H24O4Si4,296.61,296.0751654,,36.9,197,0,0,4,0,16,55 °C (131 °F) - closed cup,175 °C,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Cyclotetrasiloxane, heptamethyl-",15721-05-8,27466,"2,2,4,4,6,6,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane",C[SiH]1O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C,"InChI=1S/C7H22O4Si4/c1-12-8-13(2,3)10-15(6,7)11-14(4,5)9-12/h12H,1-7H3",CLTMUXYRYKDGOK-UHFFFAOYSA-N,C7H22O4Si4,282.59,282.0595153,,36.9,221,0,0,4,0,15,,,0,0,0,0,0,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0
"2,4,6,8-TETRAMETHYLCYCLOTETRASILOXANE",002370-88-9,75404,"2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane",C[SiH]1O[SiH](O[SiH](O[SiH](O1)C)C)C,"InChI=1S/C4H16O4Si4/c1-9-5-10(2)7-12(4)8-11(3)6-9/h9-12H,1-4H3",BQYPERTZJDZBIR-UHFFFAOYSA-N,C4H16O4Si4,240.51,240.0125651,,36.9,99,0,0,4,0,12,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"CYCLOTETRASILOXANE, 2,4,6,8-TETRAMETHYL-2,4,6,8-TETRAKIS(3,3,3-TRIFLUOROPROPYL",000429-67-4,67934,"2,4,6,8-tetramethyl-2,4,6,8-tetrakis(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane",C[Si]1(O[Si](O[Si](O[Si](O1)(C)CCC(F)(F)F)(C)CCC(F)(F)F)(C)CCC(F)(F)F)CCC(F)(F)F,"InChI=1S/C16H28F12O4Si4/c1-33(9-5-13(17,18)19)29-34(2,10-6-14(20,21)22)31-36(4,12-8-16(26,27)28)32-35(3,30-33)11-7-15(23,24)25/h5-12H2,1-4H3",XOVNCWWRDSAYNE-UHFFFAOYSA-N,C16H28F12O4Si4,624.71,624.0873035,,36.9,590,0,0,16,8,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3,5,7-TETRAVINYLTETRAMETHYLCYCLOTETRASILOXANE",027342-69-4,75706,"2,4,6,8-tetrakis(ethenyl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane",C[Si]1(O[Si](O[Si](O[Si](O1)(C)C=C)(C)C=C)(C)C=C)C=C,"InChI=1S/C12H24O4Si4/c1-9-17(5)13-18(6,10-2)15-20(8,12-4)16-19(7,11-3)14-17/h9-12H,1-4H2,5-8H3",VMAWODUEPLAHOE-UHFFFAOYSA-N,C12H24O4Si4,344.66,344.0751654,,36.9,341,0,0,4,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BIS(1,5-CYCLOOCTADIENE)NICKEL",001295-35-8,6433264,"bis((1Z,5Z)-cycloocta-1,5-diene);nickel",C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.[Ni],"InChI=1S/2C8H12.Ni/c2*1-2-4-6-8-7-5-3-1;/h2*1-2,7-8H,3-6H2;/b2*2-1-,8-7-;",JRTIUDXYIUKIIE-KZUMESAESA-N,C16H24Ni,275.05,274.123142,,0,72,0,0,0,0,17,,"Decomposes (NTP, 1992)",0,0,0,0,0,1,0,0,0,1,0,0,0,0,1,0,0,1,0,0
"BIS(1,5-CYCLOOCTADIENE)RHODIUM(I)  TETRAFLUOROBORATE",035138-22-8,5702662,"bis((1Z,5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate",[B-](F)(F)(F)F.C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.[Rh],"InChI=1S/2C8H12.BF4.Rh/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h2*1-2,7-8H,3-6H2;;/q;;-1;/b2*2-1-,8-7-;;",LYXHWHHENVLYCN-QMDOQEJBSA-N,C16H24BF4Rh-,406.1,406.09621,,0,91,-1,0,5,0,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"(1,5-CYCLOOCTADIENE)(METHOXY)IRIDIUM(I) DIMER",012148-71-9,53216975,"bis((1Z,5Z)-cycloocta-1,5-diene);bis(iridium);methyloxidanium",C[OH2+].C[OH2+].C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.[Ir].[Ir],"InChI=1S/2C8H12.2CH4O.2Ir/c2*1-2-4-6-8-7-5-3-1;2*1-2;;/h2*1-2,7-8H,3-6H2;2*2H,1H3;;/p+2/b2*2-1-,8-7-;;;;",MNKCGUKVRJZKEQ-MIXQCLKLSA-P,C18H34Ir2O2+2,666.9,666.1794,,2,82,2,2,0,0,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DI-MU-CHLOROBIS((1,2,5,6-ETA)CYCLOOCTA-1,5-DIENE)DIIRIDIUM",012112-67-3,6436381,"bis((1Z,5Z)-cycloocta-1,5-diene);bis(iridium);dichloride",C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.[Cl-].[Cl-].[Ir].[Ir],"InChI=1S/2C8H12.2ClH.2Ir/c2*1-2-4-6-8-7-5-3-1;;;;/h2*1-2,7-8H,3-6H2;2*1H;;/p-2/b2*2-1-,8-7-;;;;",SHZHQWGWORCBJK-MIXQCLKLSA-L,C16H24Cl2Ir2-2,671.7,670.04902,,0,72,-2,0,2,0,20,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
AMMELIDE,000645-93-2,12584,"6-amino-1H-1,3,5-triazine-2,4-dione",C1(=NC(=O)NC(=O)N1)N,"InChI=1S/C3H4N4O2/c4-1-5-2(8)7-3(9)6-1/h(H4,4,5,6,7,8,9)",YSKUZVBSHIWEFK-UHFFFAOYSA-N,C3H4N4O2,128.09,128.0334254,-1.5,96.6,196,0,3,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DICHLOROISOCYANURIC ACID, SODIUM SALT",002893-78-9,517202,"sodium 1,5-dichloro-4,6-dioxo-1,3,5-triazin-2-olate",C1(=NC(=O)N(C(=O)N1Cl)Cl)[O-].[Na+],"InChI=1S/C3HCl2N3O3.Na/c4-7-1(9)6-2(10)8(5)3(7)11;/h(H,6,9,10);/q;+1/p-1",MSFGZHUJTJBYFA-UHFFFAOYSA-M,C3Cl2N3NaO3,219.94,218.9214405,,76,257,0,0,3,0,12,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
"Oxonic acid, potassium salt",002207-75-2,2723920,"potassium 4,6-dioxo-1H-1,3,5-triazine-2-carboxylate",C1(=NC(=O)NC(=O)N1)C(=O)[O-].[K+],"InChI=1S/C4H3N3O4.K/c8-2(9)1-5-3(10)7-4(11)6-1;/h(H,8,9)(H2,5,6,7,10,11);/q;+1/p-1",IAPCTXZQXAVYNG-UHFFFAOYSA-M,C4H2KN3O4,195.17,194.968237,,111,273,0,2,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TEXAS RED,082354-19-6,452705,"5-chlorosulfonyl-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzenesulfonate",C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=C(C=C(C=C8)S(=O)(=O)Cl)S(=O)(=O)[O-])CCC7,"InChI=1S/C31H29ClN2O6S2/c32-41(35,36)20-9-10-21(26(17-20)42(37,38)39)27-24-15-18-5-1-11-33-13-3-7-22(28(18)33)30(24)40-31-23-8-4-14-34-12-2-6-19(29(23)34)16-25(27)31/h9-10,15-17H,1-8,11-14H2",MPLHNVLQVRSVEE-UHFFFAOYSA-N,C31H29ClN2O6S2,625.2,624.1155567,3.4,124,1460,0,0,7,2,42,,,0,0,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-CARBOXY-X-RHODAMINE, AMMONIUM SALT (5-ROX) *SINGLE ISOMER*",,4097103,"3-carboxy-4-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoate",C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=C(C=C(C=C8)C(=O)[O-])C(=O)O)CCC7,"InChI=1S/C33H30N2O5/c36-32(37)20-9-10-21(24(17-20)33(38)39)27-25-15-18-5-1-11-34-13-3-7-22(28(18)34)30(25)40-31-23-8-4-14-35-12-2-6-19(29(23)35)16-26(27)31/h9-10,15-17H,1-8,11-14H2,(H-,36,37,38,39)",UNGMOMJDNDFGJG-UHFFFAOYSA-N,C33H30N2O5,534.6,534.2154721,4.4,92.9,1200,0,1,6,2,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SULFORHODAMINE 640,060311-02-6,122180,"2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)-5-sulfobenzenesulfonate",C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=C(C=C(C=C8)S(=O)(=O)O)S(=O)(=O)[O-])CCC7,"InChI=1S/C31H30N2O7S2/c34-41(35,36)20-9-10-21(26(17-20)42(37,38)39)27-24-15-18-5-1-11-32-13-3-7-22(28(18)32)30(24)40-31-23-8-4-14-33-12-2-6-19(29(23)33)16-25(27)31/h9-10,15-17H,1-8,11-14H2,(H-,34,35,36,37,38,39)",COIVODZMVVUETJ-UHFFFAOYSA-N,C31H30N2O7S2,606.7,606.1494437,2.2,144,1450,0,1,8,2,42,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
PARAQUAT METHOSULFATE,002074-50-2,62422,1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;methyl sulfate,C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-],"InChI=1S/C12H14N2.2CH4O4S/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;2*1-5-6(2,3)4/h3-10H,1-2H3;2*1H3,(H,2,3,4)/q+2;;/p-2",WXJYKXOIFICRPR-UHFFFAOYSA-L,C14H20N2O8S2,408.5,408.066108,,157,236,0,0,8,1,26,,"Decomposes at 347-356 °F (EPA, 1998)",1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
PARAQUAT CHLORIDE,001910-42-5,15938,1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium dichloride,C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.[Cl-].[Cl-],"InChI=1S/C12H14N2.2ClH/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+2;;/p-2",FIKAKWIAUPDISJ-UHFFFAOYSA-L,C12H14Cl2N2,257.16,256.0534038,,7.8,145,0,0,2,1,16,,"Decomposes (NIOSH, 2024)",1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
ETHYL VIOLOGEN DIIODIDE,001983-61-5,14598831,1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium diiodide,CC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CC.[I-].[I-],"InChI=1S/C14H18N2.2HI/c1-3-15-9-5-13(6-10-15)14-7-11-16(4-2)12-8-14;;/h5-12H,3-4H2,1-2H3;2*1H/q+2;;/p-2",ZXBJDSANDCPCLD-UHFFFAOYSA-L,C14H18I2N2,468.11,467.95594,,7.8,167,0,0,2,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYL VIOLOGEN DIBROMIDE,053721-12-3,11474262,1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium dibromide,CC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CC.[Br-].[Br-],"InChI=1S/C14H18N2.2BrH/c1-3-15-9-5-13(6-10-15)14-7-11-16(4-2)12-8-14;;/h5-12H,3-4H2,1-2H3;2*1H/q+2;;/p-2",LCEBDKLPALDQPV-UHFFFAOYSA-L,C14H18Br2N2,374.11,373.98162,,7.8,167,0,0,2,3,18,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CARBOMETHOXYMETHYLENE TRIPHENYLPHOSPHORANE,002605-67-6,17453,methyl 2-(triphenyl-lambda5-phosphanylidene)acetate,COC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C21H19O2P/c1-23-21(22)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3",NTNUDYROPUKXNA-UHFFFAOYSA-N,C21H19O2P,334.3,334.1122668,4,26.3,400,0,0,2,5,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TERT-BUTYL (TRIPHENYLPHOSPHORANYLIDENE) ACETATE,035000-38-5,256127,tert-butyl 2-(triphenyl-lambda5-phosphanylidene)acetate,CC(C)(C)OC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C24H25O2P/c1-24(2,3)26-23(25)19-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,1-3H3",ZWZUFQPXYVYAFO-UHFFFAOYSA-N,C24H25O2P,376.4,376.159217,5,26.3,475,0,0,2,6,27,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,1,0
ETHYL 2-(TRIPHENYLPHOSPHORANYLIDENE)PROPIONATE,005717-37-3,79792,ethyl 2-(triphenyl-lambda5-phosphanylidene)propanoate,CCOC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C,"InChI=1S/C23H23O2P/c1-3-25-23(24)19(2)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,3H2,1-2H3",KZENFXVDPUMQOE-UHFFFAOYSA-N,C23H23O2P,362.4,362.143567,4.3,26.3,454,0,0,2,6,26,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propanone, triphenylphosphoranylidene-",1439-36-7,15038,1-(triphenyl-lambda5-phosphanylidene)propan-2-one,CC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C21H19OP/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3",KAANTNXREIRLCT-UHFFFAOYSA-N,C21H19OP,318.3,318.1173522,3.6,17.1,382,0,0,1,4,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MUSCIMOL,002763-96-4,4266,"5-(aminomethyl)-1,2-oxazol-3-one",C1=C(ONC1=O)CN,"InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)",ZJQHPWUVQPJPQT-UHFFFAOYSA-N,C4H6N2O2,114.1,114.0429274,-1.4,64.4,141,0,2,3,1,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-Isoxazoleacetic acid, alpha-amino-2,3-dihydro-3-oxo-",2552-55-8,1233,"2-amino-2-(3-oxo-1,2-oxazol-5-yl)acetic acid",C1=C(ONC1=O)C(C(=O)O)N,"InChI=1S/C5H6N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h1,4H,6H2,(H,7,8)(H,9,10)",IRJCBFDCFXCWGO-UHFFFAOYSA-N,C5H6N2O4,158.11,158.0327567,-3.9,102,235,0,3,5,2,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Isoxazole, 3-hydroxy-5-methyl-",10004-44-1,24781,"5-methyl-1,2-oxazol-3-one",CC1=CC(=O)NO1,"InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)",KGVPNLBXJKTABS-UHFFFAOYSA-N,C4H5NO2,99.09,99.0320284,0.1,38.3,128,0,1,2,0,7,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,1,0,0
"3(2H)-Isoxazolone, 5-(aminomethyl)-, monohydrobromide",18174-72-6,205536,"5-(aminomethyl)-1,2-oxazol-3-one;hydrobromide",C1=C(ONC1=O)CN.Br,"InChI=1S/C4H6N2O2.BrH/c5-2-3-1-4(7)6-8-3;/h1H,2,5H2,(H,6,7);1H",OPZOJWHOZRKYQX-UHFFFAOYSA-N,C4H7BrN2O2,195.01,193.96909,,64.4,141,0,3,3,1,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3(2H)-Isoxazolone, 4-chloro-2-(2-hydroxy-3-(4-morpholinyl)propyl)-5-phenyl-",117425-93-1,9964065,"1,2-oxazol-3-one",C1=CONC1=O,"InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h1-2H,(H,4,5)",FUOSTELFLYZQCW-UHFFFAOYSA-N,C3H3NO2,85.06,85.01637834,-0.3,38.3,97,0,1,2,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
L-ANABASINE,040774-73-0,2181,3-piperidin-2-ylpyridine,C1CCNC(C1)C2=CN=CC=C2,"InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2",MTXSIJUGVMTTMU-UHFFFAOYSA-N,C10H14N2,162.23,162.1156985,1,24.9,136,0,1,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Anabasine-,000494-52-0,205586,3-[(2S)-piperidin-2-yl]pyridine,C1CCN[C@@H](C1)C2=CN=CC=C2,"InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2/t10-/m0/s1",MTXSIJUGVMTTMU-JTQLQIEISA-N,C10H14N2,162.23,162.1156985,1,24.9,136,0,1,2,1,12,,270-272 °C,0,1,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,0
"Pyridine, 3-(2-piperidinyl)-, monohydrochloride, (S)-",053912-89-3,3041330,3-[(2S)-piperidin-2-yl]pyridine;hydrochloride,C1CCN[C@@H](C1)C2=CN=CC=C2.Cl,"InChI=1S/C10H14N2.ClH/c1-2-7-12-10(5-1)9-4-3-6-11-8-9;/h3-4,6,8,10,12H,1-2,5,7H2;1H/t10-;/m0./s1",VTMZQNZVYCJLGG-PPHPATTJSA-N,C10H15ClN2,198.69,198.0923762,,24.9,136,0,2,2,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Anabasine, 1-nitroso-",1133-64-8,7069270,3-[(2S)-1-nitrosopiperidin-2-yl]pyridine,C1CCN([C@@H](C1)C2=CN=CC=C2)N=O,"InChI=1S/C10H13N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h3-4,6,8,10H,1-2,5,7H2/t10-/m0/s1",BXYPVKMROLGXJI-JTQLQIEISA-N,C10H13N3O,191.23,191.105862,1.5,45.6,198,0,0,4,1,14,,,0,1,1,1,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"Pyridine, 3-(1-nitroso-2-piperidinyl)-, (+-)-",84237-39-8,14335,3-(1-nitrosopiperidin-2-yl)pyridine,C1CCN(C(C1)C2=CN=CC=C2)N=O,"InChI=1S/C10H13N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h3-4,6,8,10H,1-2,5,7H2",BXYPVKMROLGXJI-UHFFFAOYSA-N,C10H13N3O,191.23,191.105862,1.5,45.6,198,0,0,4,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"IMIDAZO[4,5-D]IMIDAZOLE-2,5(1H,3H)-DIONE, 1,3,4,6-TETRAACETYLTETRAHYDRO-",010543-60-9,82717,"1,3,4,6-tetraacetyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione",CC(=O)N1C2C(N(C1=O)C(=O)C)N(C(=O)N2C(=O)C)C(=O)C,"InChI=1S/C12H14N4O6/c1-5(17)13-9-10(15(7(3)19)11(13)21)16(8(4)20)12(22)14(9)6(2)18/h9-10H,1-4H3",KIHGYZTVBURVBA-UHFFFAOYSA-N,C12H14N4O6,310.26,310.0913342,-1.8,115,527,0,0,6,0,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"IMIDAZO[4,5-D]IMIDAZOLE-2,5(1H,3H)-DIONE, TETRAHYDRO-1,3,4,6-TETRAKIS[(2-HYDRO",067846-63-3,105813,"1,3,4,6-tetrakis(2-hydroxyethoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione",C(COCN1C2C(N(C1=O)COCCO)N(C(=O)N2COCCO)COCCO)O,"InChI=1S/C16H30N4O10/c21-1-5-27-9-17-13-14(19(15(17)25)11-29-7-3-23)20(12-30-8-4-24)16(26)18(13)10-28-6-2-22/h13-14,21-24H,1-12H2",NKPQXGFVCNENAF-UHFFFAOYSA-N,C16H30N4O10,438.43,438.1961932,-3.8,165,456,0,4,10,16,30,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"IMIDAZO[4,5-D]IMIDAZOLE-2,5(1H,3H)-DIONE, TETRAHYDRO-",000496-46-8,62347,"1,3,3a,4,6,6a-hexahydroimidazo[4,5-d]imidazole-2,5-dione",C12C(NC(=O)N1)NC(=O)N2,"InChI=1S/C4H6N4O2/c9-3-5-1-2(7-3)8-4(10)6-1/h1-2H,(H2,5,7,9)(H2,6,8,10)",VPVSTMAPERLKKM-UHFFFAOYSA-N,C4H6N4O2,142.12,142.0490755,-1.6,82.3,165,0,4,2,0,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
RHODAMINE 6G,000989-38-8,13806,"[9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium chloride",CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC.[Cl-],"InChI=1S/C28H30N2O3.ClH/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;/h9-16,29H,6-8H2,1-5H3;1H",VYXSBFYARXAAKO-UHFFFAOYSA-N,C28H31ClN2O3,479,478.2023205,,61.5,823,0,2,5,7,34,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
RHODAMINE 590 TETRAFLUOROBORATE,054854-14-7,65212,"[9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium tetrafluoroborate",[B-](F)(F)(F)F.CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC,"InChI=1S/C28H30N2O3.BF4/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;2-1(3,4)5/h9-16,29H,6-8H2,1-5H3;/q;-1/p+1",ZWOFOSITRJRBCK-UHFFFAOYSA-O,C28H31BF4N2O3,530.4,530.2363857,,61.5,842,0,2,9,7,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"XANTHYLIUM, 9-[2-(ETHOXYCARBONYL)PHENYL]-3,6-BIS(ETHYLAMINO)-2,7-DIMETHYL-, MO",012224-98-5,65211,"[9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium",CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC,"InChI=1S/C28H30N2O3/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25/h9-16,29H,6-8H2,1-5H3/p+1",IWWWBRIIGAXLCJ-UHFFFAOYSA-O,C28H31N2O3+,443.6,443.2334679,5.1,61.5,823,1,2,4,7,33,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"XANTHYLIUM, 3,6-BIS(ETHYLAMINO)-9-[2-(METHOXYCARBONYL)PHENYL]-2,7-DIMETHYL-, C",003068-39-1,65193,"ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethylxanthen-3-ylidene]azanium chloride",CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OC.[Cl-],"InChI=1S/C27H28N2O3.ClH/c1-6-28-22-14-24-20(12-16(22)3)26(18-10-8-9-11-19(18)27(30)31-5)21-13-17(4)23(29-7-2)15-25(21)32-24;/h8-15,28H,6-7H2,1-5H3;1H",GOVUVIWZMYRXMY-UHFFFAOYSA-N,C27H29ClN2O3,465,464.1866705,,61.5,807,0,2,5,6,33,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
RHODAMINE 6G PERCHLORATE,013161-28-9,65202,"[9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium perchlorate",CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC.[O-]Cl(=O)(=O)=O,"InChI=1S/C28H30N2O3.ClHO4/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;2-1(3,4)5/h9-16,29H,6-8H2,1-5H3;(H,2,3,4,5)",HDAFVOZRAUFNQH-UHFFFAOYSA-N,C28H31ClN2O7,543,542.181979,,136,918,0,2,8,7,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9-AMINO-1,2,3,4-TETRAHYDROACRIDINE HYDROCHLORIDE HYDRATE",007149-50-0,6420002,"1,2,3,4-tetrahydroacridin-9-amine;hydrate;hydrochloride",C1CCC2=NC3=CC=CC=C3C(=C2C1)N.O.Cl,"InChI=1S/C13H14N2.ClH.H2O/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;;/h1,3,5,7H,2,4,6,8H2,(H2,14,15);1H;1H2",PXGRMZYJAOQPNZ-UHFFFAOYSA-N,C13H17ClN2O,252.74,252.1029409,,39.9,229,0,3,3,0,17,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acridine, 1,2,3,4-tetrahydro-9-chloro-",5396-30-5,21495,"9-chloro-1,2,3,4-tetrahydroacridine",C1CCC2=NC3=CC=CC=C3C(=C2C1)Cl,"InChI=1S/C13H12ClN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2",IYPJWKLHPNECFJ-UHFFFAOYSA-N,C13H12ClN,217.69,217.0658271,4,12.9,231,0,0,1,0,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Acridine, 1,2,3,4-tetrahydro-9-amino-7-methoxy-",5778-80-3,119053,"7-methoxy-1,2,3,4-tetrahydroacridin-9-amine",COC1=CC2=C(C=C1)N=C3CCCCC3=C2N,"InChI=1S/C14H16N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16)",APQPVVOYBLOJDY-UHFFFAOYSA-N,C14H16N2O,228.29,228.1262631,2.7,48.1,271,0,1,3,1,17,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acridine, 1,2,3,4-tetrahydro-9-amino-",321-64-2,1935,"1,2,3,4-tetrahydroacridin-9-amine",C1CCC2=NC3=CC=CC=C3C(=C2C1)N,"InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)",YLJREFDVOIBQDA-UHFFFAOYSA-N,C13H14N2,198.26,198.1156985,2.7,38.9,229,0,1,2,0,15,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIPHENYLTIN HYDRIDE,000892-20-6,6460,triphenylstannane,C1=CC=C(C=C1)[SnH](C2=CC=CC=C2)C3=CC=CC=C3,InChI=1S/3C6H5.Sn.H/c3*1-2-4-6-5-3-1;;/h3*1-5H;;,NFHRNKANAAGQOH-UHFFFAOYSA-N,C18H16Sn,351,352.027403,,0,202,0,0,0,3,19,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIPHENYLTIN ACETATE,000900-95-8,16682804,triphenylstannyl acetate,CC(=O)O[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/3C6H5.C2H4O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1",WDQNIWFZKXZFAY-UHFFFAOYSA-M,C20H18O2Sn,409.1,410.032882,,26.3,332,0,0,2,5,23,,,1,1,1,1,0,1,1,1,0,0,0,0,0,1,0,0,1,0,1,1
ALLYLTRIPHENYLTIN,000076-63-1,6452,triphenyl(prop-2-enyl)stannane,C=CC[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/3C6H5.C3H5.Sn/c3*1-2-4-6-5-3-1;1-3-2;/h3*1-5H;3H,1-2H2;",NDUYAGLANMHJHF-UHFFFAOYSA-N,C21H20Sn,391.1,392.058703,,0,284,0,0,0,5,22,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CHLOROTRIPHENYLTIN,000639-58-7,12540,chloro(triphenyl)stannane,C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)Cl,InChI=1S/3C6H5.ClH.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H;/q;;;;+1/p-1,NJVOZLGKTAPUTQ-UHFFFAOYSA-M,C18H15ClSn,385.5,385.988431,,0,240,0,0,0,3,20,,"464 °F at 13.5 mmHg (EPA, 1998)",1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
PENTOBARBITAL SODIUM,000057-33-0,23676152,"sodium 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate",CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC.[Na+],"InChI=1S/C11H18N2O3.Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1",QGMRQYFBGABWDR-UHFFFAOYSA-M,C11H17N2NaO3,248.25,248.1136867,,81.6,344,0,1,3,4,17,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,1
THIOPENTAL SODIUM,000071-73-8,23665410,"sodium 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidine-2-thiolate",CCCC(C)C1(C(=O)NC(=NC1=O)[S-])CC.[Na+],"InChI=1S/C11H18N2O2S.Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1",AWLILQARPMWUHA-UHFFFAOYSA-M,C11H17N2NaO2S,264.32,264.0908432,,59.5,346,0,1,3,4,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
AMABARBITAL SODIUM,000064-43-7,23689390,"sodium 5-ethyl-5-(3-methylbutyl)-4,6-dioxo-1H-pyrimidin-2-olate",CCC1(C(=O)NC(=NC1=O)[O-])CCC(C)C.[Na+],"InChI=1S/C11H18N2O3.Na/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1",BNHGKKNINBGEQL-UHFFFAOYSA-M,C11H17N2NaO3,248.25,248.1136867,,81.6,342,0,1,3,4,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BARBITAL SODIUM,000144-02-5,23681217,"sodium 5,5-diethyl-4,6-dioxo-1H-pyrimidin-2-olate",CCC1(C(=O)NC(=NC1=O)[O-])CC.[Na+],"InChI=1S/C8H12N2O3.Na/c1-3-8(4-2)5(11)9-7(13)10-6(8)12;/h3-4H2,1-2H3,(H2,9,10,11,12,13);/q;+1/p-1",RGHFKWPGWBFQLN-UHFFFAOYSA-M,C8H11N2NaO3,206.17,206.0667365,,81.6,284,0,1,3,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BUTABARBITAL (BUTISOL, BUTIBEL)",000143-81-7,23690439,"sodium 5-butan-2-yl-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate",CCC(C)C1(C(=O)NC(=NC1=O)[O-])CC.[Na+],"InChI=1S/C10H16N2O3.Na/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14;/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15);/q;+1/p-1",QORQZMBCPRBCAB-UHFFFAOYSA-M,C10H15N2NaO3,234.23,234.0980366,,81.6,330,0,1,3,3,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenepropanamide, alpha-(benzoylamino)-4-(2-(diethylamino)ethoxy)-N,N-diprop",057227-16-4,134448,N-[3-[4-[2-(diethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]benzamide;hydrochloride,CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN(CC)CC)NC(=O)C2=CC=CC=C2.Cl,"InChI=1S/C28H41N3O3.ClH/c1-5-18-31(19-6-2)28(33)26(29-27(32)24-12-10-9-11-13-24)22-23-14-16-25(17-15-23)34-21-20-30(7-3)8-4;/h9-17,26H,5-8,18-22H2,1-4H3,(H,29,32);1H",SVCQSEFEZWMYSA-UHFFFAOYSA-N,C28H42ClN3O3,504.1,503.2914699,,61.9,561,0,2,4,15,35,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, p-chloro-N-(2-(p-hydroxyphenyl)ethyl)-",41859-57-8,198234,4-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzamide,C1=CC(=CC=C1CCNC(=O)C2=CC=C(C=C2)Cl)O,"InChI=1S/C15H14ClNO2/c16-13-5-3-12(4-6-13)15(19)17-10-9-11-1-7-14(18)8-2-11/h1-8,18H,9-10H2,(H,17,19)",ZTLWJYCDAXUIBK-UHFFFAOYSA-N,C15H14ClNO2,275.73,275.0713064,3.4,49.3,282,0,2,2,4,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Propionic acid, 2-(p-(2-(p-chlorobenzamido)ethyl)phenoxy)-2-methyl-, ethyl ester",,3031173,ethyl 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoate,CCOC(=O)C(C)(C)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl,"InChI=1S/C21H24ClNO4/c1-4-26-20(25)21(2,3)27-18-11-5-15(6-12-18)13-14-23-19(24)16-7-9-17(22)10-8-16/h5-12H,4,13-14H2,1-3H3,(H,23,24)",KSGYUJBREQWZHK-UHFFFAOYSA-N,C21H24ClNO4,389.9,389.1393859,4.6,64.6,481,0,1,4,9,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2-Imidazoline, 2-(2,6-dichloroanilino)-",004205-90-7,2803,"N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine",C1CN=C(N1)NC2=C(C=CC=C2Cl)Cl,"InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)",GJSURZIOUXUGAL-UHFFFAOYSA-N,C9H9Cl2N3,230.09,229.0173527,1.6,36.4,222,0,2,1,2,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Imidazoline, 2-(N-allyl-2,6-dichloroanilino)-",33178-86-8,36354,"N-(2,6-dichlorophenyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine",C=CCN(C1=C(C=CC=C1Cl)Cl)C2=NCCN2,"InChI=1S/C12H13Cl2N3/c1-2-8-17(12-15-6-7-16-12)11-9(13)4-3-5-10(11)14/h2-5H,1,6-8H2,(H,15,16)",OXTYVEUAQHPPMV-UHFFFAOYSA-N,C12H13Cl2N3,270.15,269.0486528,2.7,27.6,296,0,1,1,4,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-Benzenediamine, 2,6-dichloro-N(sup 1)-(4,5-dihydro-1H-imidazol-2-yl)-",66711-21-5,2216,"2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine",C1CN=C(N1)NC2=C(C=C(C=C2Cl)N)Cl,"InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15)",IEJXVRYNEISIKR-UHFFFAOYSA-N,C9H10Cl2N4,245.11,244.0282517,1.3,62.4,246,0,3,2,2,15,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
N-CYCLOHEXYL-N-METHYL-CYCLOHEXANAMINE,007560-83-0,24210,N-cyclohexyl-N-methylcyclohexanamine,CN(C1CCCCC1)C2CCCCC2,"InChI=1S/C13H25N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3",GSCCALZHGUWNJW-UHFFFAOYSA-N,C13H25N,195.34,195.1986998,3.7,3.2,137,0,0,1,2,14,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
DICYCLOHEXYLAMINE,000101-83-7,7582,N-cyclohexylcyclohexanamine,C1CCC(CC1)NC2CCCCC2,"InChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2",XBPCUCUWBYBCDP-UHFFFAOYSA-N,C12H23N,181.32,181.1830497,3.4,12,116,0,1,1,2,13,"greater than 210 °F (NTP, 1992)","492.4 °F at 760 mmHg (NTP, 1992)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANAMINE, N-CYCLOHEXYL-N-ETHYL-",007175-49-7,23563,N-cyclohexyl-N-ethylcyclohexanamine,CCN(C1CCCCC1)C2CCCCC2,"InChI=1S/C14H27N/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-14H,2-12H2,1H3",XRKQMIFKHDXFNQ-UHFFFAOYSA-N,C14H27N,209.37,209.2143499,4.1,3.2,148,0,0,1,3,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"N2,N8-BIS[(1,1-DIMETHYLETHOXY)CARBONYL]-D-LYSINE, COMPD. WITH N-CYCLOHEXYLCYCLOHEXANAMINE (1:1)",204190-67-0,56777034,"(2R)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;N-cyclohexylcyclohexanamine",CC(C)(C)OC(=O)NCCCC[C@H](C(=O)O)NC(=O)OC(C)(C)C.C1CCC(CC1)NC2CCCCC2,"InChI=1S/C16H30N2O6.C12H23N/c1-15(2,3)23-13(21)17-10-8-7-9-11(12(19)20)18-14(22)24-16(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11H,7-10H2,1-6H3,(H,17,21)(H,18,22)(H,19,20);11-13H,1-10H2/t11-;/m1./s1",HRLHJTYAMCGERD-RFVHGSKJSA-N,C28H53N3O6,527.7,527.3934364,,126,553,0,4,7,13,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-DIETHOXY-3-CYCLOBUTENE-1,2-DIONE",005231-87-8,123228,"3,4-diethoxycyclobut-3-ene-1,2-dione",CCOC1=C(C(=O)C1=O)OCC,"InChI=1S/C8H10O4/c1-3-11-7-5(9)6(10)8(7)12-4-2/h3-4H2,1-2H3",DFSFLZCLKYZYRD-UHFFFAOYSA-N,C8H10O4,170.16,170.0579088,0.7,52.6,226,0,0,4,4,12,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
SQUARIC ACID,002892-51-5,17913,"3,4-dihydroxycyclobut-3-ene-1,2-dione",C1(=C(C(=O)C1=O)O)O,InChI=1S/C4H2O4/c5-1-2(6)4(8)3(1)7/h5-6H,PWEBUXCTKOWPCW-UHFFFAOYSA-N,C4H2O4,114.06,113.9953085,-0.7,74.6,178,0,2,4,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
SQUARIC ACID DIBUTYL ESTER,002892-62-8,65108,"3,4-dibutoxycyclobut-3-ene-1,2-dione",CCCCOC1=C(C(=O)C1=O)OCCCC,"InChI=1S/C12H18O4/c1-3-5-7-15-11-9(13)10(14)12(11)16-8-6-4-2/h3-8H2,1-2H3",XBRWELTXMQSEIN-UHFFFAOYSA-N,C12H18O4,226.27,226.1205091,2.4,52.6,274,0,0,4,8,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
Moniliformin,31876-38-7,40452,"3-hydroxycyclobut-3-ene-1,2-dione",C1=C(C(=O)C1=O)O,"InChI=1S/C4H2O3/c5-2-1-3(6)4(2)7/h1,5H",KGPQKNJSZNXOPV-UHFFFAOYSA-N,C4H2O3,98.06,98.00039392,-0.6,54.4,166,0,1,3,0,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Cyclobutene-1,2-dione, 3-hydroxy-, sodium salt",71376-34-6,23691721,"sodium 3,4-dioxocyclobuten-1-olate",C1=C(C(=O)C1=O)[O-].[Na+],"InChI=1S/C4H2O3.Na/c5-2-1-3(6)4(2)7;/h1,5H;/q;+1/p-1",FERDNJVXTWPNSA-UHFFFAOYSA-M,C4HNaO3,120.04,119.9823382,,57.2,170,0,0,3,0,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,2-Oxazaphosphorine, 3-(2-chloroethyl)-2-((2-chloroethyl)amino)tetrahydro-,",003778-73-2,3690,"N,3-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine",C1CN(P(=O)(OC1)NCCCl)CCCl,"InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)",HOMGKSMUEGBAAB-UHFFFAOYSA-N,C7H15Cl2N2O2P,261.08,260.0248201,0.9,41.6,218,0,1,4,5,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
CYCLOPHOSPHAMIDE MONOHYDRATE,006055-19-2,22420,"N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine;hydrate",C1CNP(=O)(OC1)N(CCCl)CCCl.O,"InChI=1S/C7H15Cl2N2O2P.H2O/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14;/h1-7H2,(H,10,12);1H2",PWOQRKCAHTVFLB-UHFFFAOYSA-N,C7H17Cl2N2O3P,279.1,278.0353848,,42.6,212,0,2,5,5,15,"greater than 230 °F (NTP, 1992)",,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-1,3,2-Oxazaphosphorin-2-amine, tetrahydro-3-(2-chloroethyl)-, 2-oxide",53459-55-5,119105,"3-(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine",C1CN(P(=O)(OC1)N)CCCl,"InChI=1S/C5H12ClN2O2P/c6-2-4-8-3-1-5-10-11(8,7)9/h1-5H2,(H2,7,9)",ROGLJLJCDSTWBN-UHFFFAOYSA-N,C5H12ClN2O2P,198.59,198.0324923,-0.2,55.6,178,0,1,4,2,11,,,0,0,0,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0
METHYLPHENOBARBITAL,000115-38-8,8271,"5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione",CCC1(C(=O)NC(=O)N(C1=O)C)C2=CC=CC=C2,"InChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)",ALARQZQTBTVLJV-UHFFFAOYSA-N,C13H14N2O3,246.26,246.1004423,1.8,66.5,388,0,1,3,2,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-ETHYL-5,4'-TOLYLBARBITURIC ACID",052584-39-1,104245,"5-ethyl-5-(4-methylphenyl)-1,3-diazinane-2,4,6-trione",CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)C,"InChI=1S/C13H14N2O3/c1-3-13(9-6-4-8(2)5-7-9)10(16)14-12(18)15-11(13)17/h4-7H,3H2,1-2H3,(H2,14,15,16,17,18)",ZYJDWGKPBQDCBX-UHFFFAOYSA-N,C13H14N2O3,246.26,246.1004423,1.8,75.3,364,0,2,3,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Barbituric acid, 5-methyl-5-phenyl-",76-94-8,66160,"5-methyl-5-phenyl-1,3-diazinane-2,4,6-trione",CC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2,"InChI=1S/C11H10N2O3/c1-11(7-5-3-2-4-6-7)8(14)12-10(16)13-9(11)15/h2-6H,1H3,(H2,12,13,14,15,16)",LSAOZCAKUIANSQ-UHFFFAOYSA-N,C11H10N2O3,218.21,218.0691422,1.1,75.3,325,0,2,3,1,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Senecionan-11,16-dione, 12-hydroxy-",000130-01-8,5280906,"(1R,4Z,6R,7R,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione",C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C,"InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-/m1/s1",HKODIGSRFALUTA-JTLQZVBZSA-N,C18H25NO5,335.4,335.1732729,1.1,76.1,611,0,1,6,0,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Retrorsine,480-54-6,5281743,"(1R,4Z,6R,7S,17R)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione",C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(CO)O)C,"InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-/m1/s1",BCJMNZRQJAVDLD-CQRYIUNCSA-N,C18H25NO6,351.4,351.1681875,0.6,96.3,627,0,2,7,1,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Integerrimine,480-79-5,5281733,"(1R,4E,6R,7R,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione",C/C=C/1\C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C,"InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4+/t11-,14-,15-,18-/m1/s1",HKODIGSRFALUTA-IKZAEVNJSA-N,C18H25NO5,335.4,335.1732729,1.1,76.1,611,0,1,6,0,24,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Senecionan-11,16-dione, 12,18-dihydroxy-, (15E)-",15503-87-4,5281756,"(1R,4E,6R,7S,17R)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione",C/C=C/1\C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(CO)O)C,"InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3+/t11-,14-,15-,18-/m1/s1",BCJMNZRQJAVDLD-FXGRWVCYSA-N,C18H25NO6,351.4,351.1681875,0.6,96.3,627,0,2,7,1,25,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(1,6)Dioxacyclododecino(2,3,4-gh)pyrrolizine-2,7-dione, 3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-4,5,6-trimethyl-3-methylene-, (4R,5R,6R,14aR,14bR)-",72755-25-0,442764,"(1R,5R,6R,7R,17R)-7-hydroxy-5,6,7-trimethyl-4-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione",C[C@@H]1[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)C1=C)(C)O)C,"InChI=1S/C18H25NO5/c1-10-11(2)16(20)24-14-6-8-19-7-5-13(15(14)19)9-23-17(21)18(4,22)12(10)3/h5,10,12,14-15,22H,2,6-9H2,1,3-4H3/t10-,12+,14+,15+,18+/m0/s1",FLUOSFVUPTUYEX-QHOAOGIMSA-N,C18H25NO5,335.4,335.1732729,1.2,76.1,613,0,1,6,0,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phthalazine, 1-hydrazino-",000086-54-4,3637,phthalazin-1-ylhydrazine,C1=CC=C2C(=C1)C=NN=C2NN,"InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)",RPTUSVTUFVMDQK-UHFFFAOYSA-N,C8H8N4,160.18,160.0748963,0.7,63.8,150,0,2,4,1,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbazic acid, 3-(1-phthalazinyl)-, ethyl ester, monohydrochloride",003778-76-5,19604,ethyl N-(phthalazin-1-ylamino)carbamate;hydrochloride,CCOC(=O)NNC1=NN=CC2=CC=CC=C21.Cl,"InChI=1S/C11H12N4O2.ClH/c1-2-17-11(16)15-14-10-9-6-4-3-5-8(9)7-12-13-10;/h3-7H,2H2,1H3,(H,13,14)(H,15,16);1H",OMCOKCNIYWULQH-UHFFFAOYSA-N,C11H13ClN4O2,268.7,268.0727034,,76.1,262,0,3,5,4,18,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1(2H)-PHTHALAZINONE, HYDRAZONE, MONOHYDROCHLORIDE",000304-20-1,9351,phthalazin-1-ylhydrazine;hydrochloride,C1=CC=C2C(=C1)C=NN=C2NN.Cl,"InChI=1S/C8H8N4.ClH/c9-11-8-7-4-2-1-3-6(7)5-10-12-8;/h1-5H,9H2,(H,11,12);1H",ZUXNZUWOTSUBMN-UHFFFAOYSA-N,C8H9ClN4,196.64,196.051574,,63.8,150,0,3,4,1,13,,,0,0,0,1,0,0,0,1,0,0,1,0,0,0,1,0,1,0,0,1
PHTHALAZINE,000253-52-1,9207,phthalazine,C1=CC=C2C=NN=CC2=C1,InChI=1S/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H,LFSXCDWNBUNEEM-UHFFFAOYSA-N,C8H6N2,130.15,130.0530982,0.6,25.8,99,0,0,2,0,10,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Phthalazine, 1,4-dihydrazino-, sulfate (1:1)",7327-87-9,81764,(4-hydrazinylphthalazin-1-yl)hydrazine;sulfuric acid,C1=CC=C2C(=C1)C(=NN=C2NN)NN.OS(=O)(=O)O,"InChI=1S/C8H10N6.H2O4S/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7;1-5(2,3)4/h1-4H,9-10H2,(H,11,13)(H,12,14);(H2,1,2,3,4)",BWHAMWGGORIDBK-UHFFFAOYSA-N,C8H12N6O4S,288.29,288.0640741,,185,248,0,6,10,2,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PROPANAMINE, 3-(10,11-DIHYDRO-5H-DIBENZO[A,D]CYCLOHEPTEN-5-YLIDENE)-N,N-DIME",000549-18-8,11065,"N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;hydrochloride",CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.Cl,"InChI=1S/C20H23N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-12H,7,13-15H2,1-2H3;1H",KFYRPLNVJVHZGT-UHFFFAOYSA-N,C20H24ClN,313.9,313.1597275,,3.2,331,0,1,1,3,22,,,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,1
"5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-N,N-",000050-48-6,2160,"N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine",CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31,"InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3",KRMDCWKBEZIMAB-UHFFFAOYSA-N,C20H23N,277.4,277.1830497,5,3.2,331,0,0,1,3,21,,410.26°C (rough estimate),0,1,1,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
"5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-N,N-",004317-14-0,20313,"N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine oxide",C[N+](C)(CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31)[O-],"InChI=1S/C20H23NO/c1-21(2,22)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3",ZPMKQFOGINQDAM-UHFFFAOYSA-N,C20H23NO,293.4,293.1779644,4.5,18.1,375,0,0,1,3,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-N-methyl-",72-69-5,4543,"N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine",CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31,"InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3",PHVGLTMQBUFIQQ-UHFFFAOYSA-N,C19H21N,263.4,263.1673997,4.5,12,307,0,1,1,3,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10-11-dihydro-N-methyl-,hydrochloride",894-71-3,441358,"N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;hydrochloride",CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.Cl,"InChI=1S/C19H21N.ClH/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;/h2-5,7-11,20H,6,12-14H2,1H3;1H",SHAYBENGXDALFF-UHFFFAOYSA-N,C19H22ClN,299.8,299.1440774,,12,307,0,2,1,3,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1
"1,3-PROPANEDIONE, 1,3-BIS(4-FLUOROPHENYL)-",001493-51-2,73896,"1,3-bis(4-fluorophenyl)propane-1,3-dione",C1=CC(=CC=C1C(=O)CC(=O)C2=CC=C(C=C2)F)F,"InChI=1S/C15H10F2O2/c16-12-5-1-10(2-6-12)14(18)9-15(19)11-3-7-13(17)8-4-11/h1-8H,9H2",MMDLTXGEZNHAOV-UHFFFAOYSA-N,C15H10F2O2,260.23,260.0648859,3.3,34.1,295,0,0,4,4,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-PROPANEDIONE, 1-(2-HYDROXYPHENYL)-3-PHENYL-",001469-94-9,73849,"1-(2-hydroxyphenyl)-3-phenylpropane-1,3-dione",C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2O,"InChI=1S/C15H12O3/c16-13-9-5-4-8-12(13)15(18)10-14(17)11-6-2-1-3-7-11/h1-9,16H,10H2",OABFIJGAEVKMJP-UHFFFAOYSA-N,C15H12O3,240.25,240.0786442,3.4,54.4,305,0,1,3,4,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-[4-(1,1-DIMETHYLETHYL)PHENYL]-3-(4-METHOXYPHENYL)-1,3-PROPANEDIONE",070356-09-1,51040,"1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione",CC(C)(C)C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)OC,"InChI=1S/C20H22O3/c1-20(2,3)16-9-5-14(6-10-16)18(21)13-19(22)15-7-11-17(23-4)12-8-15/h5-12H,13H2,1-4H3",XNEFYCZVKIDDMS-UHFFFAOYSA-N,C20H22O3,310.4,310.1568946,4.8,43.4,405,0,0,3,6,23,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DIBENZOYLMETHANE,000120-46-7,8433,"1,3-diphenylpropane-1,3-dione",C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2,"InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2",NZZIMKJIVMHWJC-UHFFFAOYSA-N,C15H12O2,224.25,224.0837296,3.1,34.1,243,0,0,2,4,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Nicotinic acid, 2-(alpha,alpha,alpha-trifluoro-m-toluidino)-",004394-00-7,4488,2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid,C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)O)C(F)(F)F,"InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)",JZFPYUNJRRFVQU-UHFFFAOYSA-N,C13H9F3N2O2,282.22,282.061612,3.7,62.2,349,0,2,7,3,20,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Nicotinic acid, 2-(3-chloro-o-toluidino)-",017737-65-4,28718,2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid,CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)C(=O)O,"InChI=1S/C13H11ClN2O2/c1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12/h2-7H,1H3,(H,15,16)(H,17,18)",CLOMYZFHNHFSIQ-UHFFFAOYSA-N,C13H11ClN2O2,262.69,262.0509053,3.8,62.2,301,0,2,4,3,18,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Pyridinamine, 3-chloro-N-(3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl)- 5",079622-59-6,91731,"3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine",C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,"InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)",UZCGKGPEKUCDTF-UHFFFAOYSA-N,C13H4Cl2F6N4O4,465.09,463.951379,6,117,628,0,1,12,2,29,,,1,0,1,0,0,0,1,1,0,0,0,0,0,1,0,0,0,1,0,0
"D-Glucitol, 1-deoxy-1-(methylamino)-, 2-((2-methyl-3-(trifluoromethyl)phenyl)amino)-3-pyridinecarboxylate (salt)",42461-84-7,39212,"(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid",CC1=C(C=CC=C1NC2=C(C=CC=N2)C(=O)O)C(F)(F)F.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,"InChI=1S/C14H11F3N2O2.C7H17NO5/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12;1-8-2-4(10)6(12)7(13)5(11)3-9/h2-7H,1H3,(H,18,19)(H,20,21);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1",MGCCHNLNRBULBU-WZTVWXICSA-N,C21H28F3N3O7,491.5,491.1879347,,175,510,0,8,13,9,34,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
"3-Pyridinecarboxylic acid, 2-((3-chloro-2-methylphenyl)amino)-, compd. with L-lysine (1:1)",55837-30-4,3080836,"2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid;(2S)-2,6-diaminohexanoic acid",CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)C(=O)O.C(CCN)C[C@@H](C(=O)O)N,"InChI=1S/C13H11ClN2O2.C6H14N2O2/c1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12;7-4-2-1-3-5(8)6(9)10/h2-7H,1H3,(H,15,16)(H,17,18);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1",CVNFYQCHAWFYQI-ZSCHJXSPSA-N,C19H25ClN4O4,408.9,408.156433,,152,407,0,5,8,8,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-IMIDAZOLE, 2-METHYL-1-(PHENYLMETHYL)-",013750-62-4,83699,1-benzyl-2-methylimidazole,CC1=NC=CN1CC2=CC=CC=C2,"InChI=1S/C11H12N2/c1-10-12-7-8-13(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3",FBHPRUXJQNWTEW-UHFFFAOYSA-N,C11H12N2,172.23,172.1000484,2,17.8,152,0,0,1,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METOMIDATE HYDROCHLORIDE,036557-22-9,118264,methyl 3-(1-phenylethyl)imidazole-4-carboxylate;hydrochloride,CC(C1=CC=CC=C1)N2C=NC=C2C(=O)OC.Cl,"InChI=1S/C13H14N2O2.ClH/c1-10(11-6-4-3-5-7-11)15-9-14-8-12(15)13(16)17-2;/h3-10H,1-2H3;1H",NZEDTZKNEKPBGR-UHFFFAOYSA-N,C13H15ClN2O2,266.72,266.0822054,,44.1,264,0,1,3,4,18,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-HISTIDINE, N-[(1,1-DIMETHYLETHOXY)CARBONYL]-1-(PHENYLMETHYL)-",020898-44-6,6993429,(2S)-3-(1-benzylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid,CC(C)(C)OC(=O)N[C@@H](CC1=CN(C=N1)CC2=CC=CC=C2)C(=O)O,"InChI=1S/C18H23N3O4/c1-18(2,3)25-17(24)20-15(16(22)23)9-14-11-21(12-19-14)10-13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3,(H,20,24)(H,22,23)/t15-/m0/s1",OUHPNBGKEMHUCQ-HNNXBMFYSA-N,C18H23N3O4,345.4,345.1688562,2.2,93.5,458,0,2,5,8,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Imidazole-5-carboxylic acid, 1-(alpha-methylbenzyl)-, ethyl ester, (R)-(+)-",33125-97-2,667484,ethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate,CCOC(=O)C1=CN=CN1[C@H](C)C2=CC=CC=C2,"InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1",NPUKDXXFDDZOKR-LLVKDONJSA-N,C14H16N2O2,244.29,244.1211778,3,44.1,277,0,0,3,5,18,,,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOTHIAZOLIUM, 2-[[4-[ETHYL(2-HYDROXYETHYL)AMINO]PHENYL]AZO]-6-METHOXY-3-MET",026850-47-5,161540,"2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]ethanol chloride",CCN(CCO)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C.[Cl-],"InChI=1S/C19H23N4O2S.ClH/c1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-10-9-16(25-3)13-18(17)26-19;/h5-10,13,24H,4,11-12H2,1-3H3;1H/q+1;/p-1",XZLJSWJFZGBAQT-UHFFFAOYSA-M,C19H23ClN4O2S,406.9,406.1230249,,89.5,459,0,1,7,7,27,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOTHIAZOLIUM, 2-[[4-[ETHYL(2-HYDROXYETHYL)AMINO]PHENYL]AZO]-6-METHOXY-3-MET",012270-13-2,83008,"2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]ethanol;methyl sulfate",CCN(CCO)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C.COS(=O)(=O)[O-],"InChI=1S/C19H23N4O2S.CH4O4S/c1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-10-9-16(25-3)13-18(17)26-19;1-5-6(2,3)4/h5-10,13,24H,4,11-12H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",MHOFGBJTSNWTDT-UHFFFAOYSA-M,C20H26N4O6S2,482.6,482.1293769,,164,550,0,1,10,7,32,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
"BENZOTHIAZOLIUM, 2-[[4-(DIMETHYLAMINO)PHENYL]AZO]-6-METHOXY-3-METHYL-, METHYL",015000-59-6,161106,"4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N,N-dimethylaniline;methyl sulfate",C[N+]1=C(SC2=C1C=CC(=C2)OC)N=NC3=CC=C(C=C3)N(C)C.COS(=O)(=O)[O-],"InChI=1S/C17H19N4OS.CH4O4S/c1-20(2)13-7-5-12(6-8-13)18-19-17-21(3)15-10-9-14(22-4)11-16(15)23-17;1-5-6(2,3)4/h5-11H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",AQSURVRJJSLSOC-UHFFFAOYSA-M,C18H22N4O5S2,438.5,438.1031622,,144,502,0,0,9,4,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOTHIAZOLIUM, 2-[[4-[ETHYL(2-HYDROXYETHYL)AMINO]PHENYL]AZO]-5-METHOXY-3-MET",068929-07-7,111822,"2-[N-ethyl-4-[(5-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]ethanol;methyl sulfate",CCN(CCO)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=CC(=C3)OC)C.COS(=O)(=O)[O-],"InChI=1S/C19H23N4O2S.CH4O4S/c1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-13-16(25-3)9-10-18(17)26-19;1-5-6(2,3)4/h5-10,13,24H,4,11-12H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1",HOHKDVIHEVYZBM-UHFFFAOYSA-M,C20H26N4O6S2,482.6,482.1293769,,164,550,0,1,10,7,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOTHIAZOLIUM, 2-[[4-[ETHYL(2-HYDROXYETHYL)AMINO]PHENYL]AZO]-6-METHOXY-3-MET",074186-16-6,13765491,"2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]ethanol;hydrogen sulfate",CCN(CCO)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C.OS(=O)(=O)[O-],"InChI=1S/C19H23N4O2S.H2O4S/c1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-10-9-16(25-3)13-18(17)26-19;1-5(2,3)4/h5-10,13,24H,4,11-12H2,1-3H3;(H2,1,2,3,4)/q+1;/p-1",BFCKQDHEJXTQTK-UHFFFAOYSA-M,C19H24N4O6S2,468.6,468.1137269,,175,535,0,2,10,7,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-METHYL-4-PHENYL-1,2,3,6-TETRAHYDROPYRIDINE HYDROCHLORIDE",023007-85-4,161406,"1-methyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride",CN1CCC(=CC1)C2=CC=CC=C2.Cl,"InChI=1S/C12H15N.ClH/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;/h2-7H,8-10H2,1H3;1H",KOWJANGMTAZWDT-UHFFFAOYSA-N,C12H16ClN,209.71,209.0971272,,3.2,189,0,1,1,1,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIDINE, 1,2,3,6-TETRAHYDRO-4-PHENYL-",010338-69-9,82553,"4-phenyl-1,2,3,6-tetrahydropyridine",C1CNCC=C1C2=CC=CC=C2,"InChI=1S/C11H13N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-6,12H,7-9H2",OMPXTQYWYRWWPH-UHFFFAOYSA-N,C11H13N,159.23,159.1047994,2,12,166,0,1,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 1,2,3,6-tetrahydro-4-(p-fluorophenyl)-, hydrochloride",1978-61-6,197747,"4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride",C1CNCC=C1C2=CC=C(C=C2)F.Cl,"InChI=1S/C11H12FN.ClH/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;/h1-5,13H,6-8H2;1H",CTTBTYWBXXWBMU-UHFFFAOYSA-N,C11H13ClFN,213.68,213.0720553,,12,192,0,2,2,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 1,2,3,6-tetrahydro-1-methyl-4-(2-methylphenyl)-",,91767,"1-methyl-4-(2-methylphenyl)-3,6-dihydro-2H-pyridine",CC1=CC=CC=C1C2=CCN(CC2)C,"InChI=1S/C13H17N/c1-11-5-3-4-6-13(11)12-7-9-14(2)10-8-12/h3-7H,8-10H2,1-2H3",BORHNVHYIYTKKC-UHFFFAOYSA-N,C13H17N,187.28,187.1360995,3.1,3.2,219,0,0,1,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetron",104987-11-3,445643,"(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone",C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC,"InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1",QJJXYPPXXYFBGM-LFZNUXCKSA-N,C44H69NO12,804,803.4819766,2.7,178,1480,0,3,12,7,57,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
Ascomycin,11011-38-4,2241,"17-ethyl-1,14-dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone",CCC1C=C(CC(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC1=O)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC)C)C,"InChI=1S/C43H69NO12/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)44-16-12-11-13-31(44)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(22-29)52-7/h18,20,25,27-33,35-39,45-46,51H,10-17,19,21-23H2,1-9H3",ZDQSOHOQTUFQEM-UHFFFAOYSA-N,C43H69NO12,792,791.4819766,2.5,178,1430,0,3,12,6,56,,,0,0,0,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 3-((1E)-2-((1R,3R,4S)-4-chloro-3-methoxycyclohexyl)-1-methylethenyl)-8-ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-14,16-dimethoxy-4,10,12,18-tetramethyl-, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-",137071-32-0,6509979,"(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-12-[(E)-1-[(1R,3R,4S)-4-chloro-3-methoxycyclohexyl]prop-1-en-2-yl]-17-ethyl-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone",CC[C@@H]1/C=C(/C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@@H]([C@@H](C4)OC)Cl)/C)O)C)OC)OC)C)\C,"InChI=1S/C43H68ClNO11/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)45-16-12-11-13-32(45)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-31(44)35(22-29)52-7/h18,20,25,27-33,35-39,46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32-,33-,35+,36-,37-,38+,39+,43+/m0/s1",KASDHRXLYQOAKZ-XDSKOBMDSA-N,C43H68ClNO11,810.4,809.4480897,3.8,158,1440,0,2,11,6,56,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-8-ethyl-3-(2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethenyl)-14,16-dimethoxy-4,10,12,18-tetramethyl-,(3S-(3R*(E(1S*,3S*,4S*)),4S*,19S*,26aR*))-",104987-12-4,5282071,"(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-17-ethyl-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone",CC[C@@H]1/C=C(/C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC)C)\C,"InChI=1S/C43H69NO12/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)44-16-12-11-13-31(44)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(22-29)52-7/h18,20,25,27-33,35-39,45-46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32+,33-,35+,36-,37-,38+,39+,43+/m0/s1",ZDQSOHOQTUFQEM-NURRSENYSA-N,C43H69NO12,792,791.4819766,2.5,178,1430,0,3,12,6,56,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
19-Nor-17-alpha-pregn-4-en-20-yn-17-ol,000052-76-6,5857,"(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CCCC[C@H]34,"InChI=1S/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,6,15-18,21H,4-5,7-13H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1",YNVGQYHLRCDXFQ-XGXHKTLJSA-N,C20H28O,284.4,284.2140155,4.5,20.2,523,0,1,1,1,21,,,0,0,0,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"19-Nor-17-alpha-pregn-4-en-20-yne-3-beta,17-diol, diacetate",000297-76-7,9270,"[(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate",CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@]4(C#C)OC(=O)C)C,"InChI=1S/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1",ONKUMRGIYFNPJW-KIEAKMPYSA-N,C24H32O4,384.5,384.2300595,3.9,52.6,758,0,0,4,5,28,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
19-Nor-17-alpha-pregn-4-en-17-ol,000965-90-2,13765,"(8R,9S,10R,13S,14S,17S)-17-ethyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol",CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CCCC[C@H]34)C)O,"InChI=1S/C20H32O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h6,15-18,21H,3-5,7-13H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1",AOXRBFRFYPMWLR-XGXHKTLJSA-N,C20H32O,288.5,288.2453156,5.1,20.2,453,0,1,1,1,21,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Estr-4-en-17-beta-ol, 17-allyl-",000432-60-0,235905,"(8R,9S,10R,13S,14S,17R)-13-methyl-17-prop-2-enyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CC=C)O)CCC4=CCCC[C@H]34,"InChI=1S/C21H32O/c1-3-12-21(22)14-11-19-18-9-8-15-6-4-5-7-16(15)17(18)10-13-20(19,21)2/h3,6,16-19,22H,1,4-5,7-14H2,2H3/t16-,17+,18+,19-,20-,21-/m0/s1",ATXHVCQZZJYMCF-XUDSTZEESA-N,C21H32O,300.5,300.2453156,5.3,20.2,492,0,1,1,2,22,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
4-ANDROSTENEDIOL,001156-92-9,136297,"(3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C[C@H](CC[C@]34C)O,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-17,20-21H,3-10H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1",BTTWKVFKBPAFDK-LOVVWNRFSA-N,C19H30O2,290.4,290.2245802,3.4,40.5,470,0,2,2,0,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
DELTA 1-DIHYDROTESTOSTERONE,000065-06-5,236666,"(5S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(C=CC(=O)C4)C,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12,14-17,21H,3-6,8,10-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1",OKJCFMUGMSVJBG-ABEVXSGRSA-N,C19H28O2,288.4,288.2089301,4,37.3,496,0,1,2,0,21,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHENOLONE (FEMALE, MALE) STEROIDS",000153-00-4,3037705,"(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-1,10,13-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",CC1=CC(=O)C[C@H]2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4O)C)C,"InChI=1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h10,13,15-18,22H,4-9,11H2,1-3H3/t13-,15-,16-,17-,18-,19-,20-/m0/s1",ANJQEDFWRSLVBR-VHUDCFPWSA-N,C20H30O2,302.5,302.2245802,3.9,37.3,536,0,1,2,0,22,,,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
METHYL-1-TESTOSTERONE,000065-04-3,7092657,"(5S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthren-3-one",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(C=CC(=O)C4)C,"InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,13,15-17,22H,4-5,7-8,10-12H2,1-3H3/t13-,15+,16-,17-,18-,19-,20-/m0/s1",JRNSSSJKIGAFCT-YDSAWKJFSA-N,C20H30O2,302.5,302.2245802,4.1,37.3,538,0,1,2,0,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
ALPHA-PYRROLIDINOPENTIOPHENONE HYDROCHLORIDE,005485-65-4,11579868,1-phenyl-2-pyrrolidin-1-ylpentan-1-one;hydrochloride,CCCC(C(=O)C1=CC=CC=C1)N2CCCC2.Cl,"InChI=1S/C15H21NO.ClH/c1-2-8-14(16-11-6-7-12-16)15(17)13-9-4-3-5-10-13;/h3-5,9-10,14H,2,6-8,11-12H2,1H3;1H",ROMXVSMENBAYRM-UHFFFAOYSA-N,C15H22ClNO,267.79,267.138992,,20.3,239,0,1,2,5,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ALPHA-PBP HYDROCHLORIDE,013415-54-8,72710658,1-phenyl-2-pyrrolidin-1-ylbutan-1-one;hydrochloride,CCC(C(=O)C1=CC=CC=C1)N2CCCC2.Cl,"InChI=1S/C14H19NO.ClH/c1-2-13(15-10-6-7-11-15)14(16)12-8-4-3-5-9-12;/h3-5,8-9,13H,2,6-7,10-11H2,1H3;1H",AZVCJCIUXDFJMO-UHFFFAOYSA-N,C14H20ClNO,253.77,253.123342,,20.3,227,0,1,2,4,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PYROVALERONE HYDROCHLORIDE,001147-62-2,14372,1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one;hydrochloride,CCCC(C(=O)C1=CC=C(C=C1)C)N2CCCC2.Cl,"InChI=1S/C16H23NO.ClH/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14;/h7-10,15H,3-6,11-12H2,1-2H3;1H",MWRACNBZNVAJHE-UHFFFAOYSA-N,C16H24ClNO,281.82,281.1546421,,20.3,262,0,1,2,5,19,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
ALPHA-PIHP,2181620-71-1,59809191,4-methyl-1-phenyl-2-pyrrolidin-1-ylpentan-1-one,CC(C)CC(C(=O)C1=CC=CC=C1)N2CCCC2,"InChI=1S/C16H23NO/c1-13(2)12-15(17-10-6-7-11-17)16(18)14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3",UOZWZANRCOALQL-UHFFFAOYSA-N,C16H23NO,245.36,245.1779644,3.9,20.3,262,0,0,2,5,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"PYROVALERONE (CENTROTON,THYMERGIX)",003563-49-3,14373,1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-one,CCCC(C(=O)C1=CC=C(C=C1)C)N2CCCC2,"InChI=1S/C16H23NO/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3",SWUVZKWCOBGPTH-UHFFFAOYSA-N,C16H23NO,245.36,245.1779644,3.8,20.3,262,0,0,2,5,18,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
11-NOR-DELTA9-TETRAHYDROCANNABINOL-9-CARBOXYLIC ACID,056354-06-4,108207,"(6aR,10aR)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid",CCCCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C)C)C(=O)O)O,"InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15-,16-/m1/s1",YOVRGSHRZRJTLZ-HZPDHXFCSA-N,C21H28O4,344.4,344.1987594,6.3,66.8,524,0,2,4,5,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DELTA-9-TETRAHDROCANNABINOLIC ACID (TETRAHYDROCANNABINOLS),023978-85-0,98523,"(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylic acid",CCCCCC1=CC2=C([C@@H]3C=C(CC[C@H]3C(O2)(C)C)C)C(=C1C(=O)O)O,"InChI=1S/C22H30O4/c1-5-6-7-8-14-12-17-19(20(23)18(14)21(24)25)15-11-13(2)9-10-16(15)22(3,4)26-17/h11-12,15-16,23H,5-10H2,1-4H3,(H,24,25)/t15-,16-/m1/s1",UCONUSSAWGCZMV-HZPDHXFCSA-N,C22H30O4,358.5,358.2144094,7,66.8,552,0,2,4,5,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"6H-Dibenzo(b,d)pyran-9-methanol, 6a,7,8,10a-tetrahydro-6,6-dimethyl-1-hydroxy-3-pentyl-,(6aR-trans)-",36557-05-8,644022,"(6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol",CCCCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C)C)CO)O,"InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h10-12,16-17,22-23H,4-9,13H2,1-3H3/t16-,17-/m1/s1",YCBKSSAWEUDACY-IAGOWNOFSA-N,C21H30O3,330.5,330.2194948,5.7,49.7,456,0,2,3,5,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"4,6-DIMETHYLDIBENZOTHIOPHENE",001207-12-1,71012,"1,8-dimethyldibenzothiophene",CC1=CC2=C(C=C1)SC3=CC=CC(=C32)C,"InChI=1S/C14H12S/c1-9-6-7-12-11(8-9)14-10(2)4-3-5-13(14)15-12/h3-8H,1-2H3",KMPJENUWHPZRGZ-UHFFFAOYSA-N,C14H12S,212.31,212.0659716,5,28.2,237,0,0,1,0,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, N-2-dibenzothienyl-",54818-88-1,108627,N-dibenzothiophen-2-ylacetamide,CC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C32,"InChI=1S/C14H11NOS/c1-9(16)15-10-6-7-14-12(8-10)11-4-2-3-5-13(11)17-14/h2-8H,1H3,(H,15,16)",FBHBFAPHAYSMFP-UHFFFAOYSA-N,C14H11NOS,241.31,241.0561352,3.6,57.3,307,0,1,2,1,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Dibenzothiophenebutanoic acid, gamma-hydroxy-",,299248,4-dibenzothiophen-2-ylbutanoic acid,C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)CCCC(=O)O,"InChI=1S/C16H14O2S/c17-16(18)7-3-4-11-8-9-15-13(10-11)12-5-1-2-6-14(12)19-15/h1-2,5-6,8-10H,3-4,7H2,(H,17,18)",FMTLTRCPMNZQGB-UHFFFAOYSA-N,C16H14O2S,270.3,270.0714509,4.5,65.5,331,0,1,3,4,19,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Dibenzothiophene, 2-nitro-",6639-36-7,95072,2-nitrodibenzothiophene,C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)[N+](=O)[O-],InChI=1S/C12H7NO2S/c14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7H,GXLYVLHWXVRVKI-UHFFFAOYSA-N,C12H7NO2S,229.26,229.0197496,4.2,74.1,291,0,0,3,0,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4,5,6,7,7-HEXACHLORO-5-NORBORNENE-2,3-DICARBOXYLIC ANHYDRIDE",000115-27-5,8265,"1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione",C12C(C(=O)OC1=O)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,"InChI=1S/C9H2Cl6O3/c10-3-4(11)8(13)2-1(5(16)18-6(2)17)7(3,12)9(8,14)15/h1-2H",FLBJFXNAEMSXGL-UHFFFAOYSA-N,C9H2Cl6O3,370.8,369.81056,2.4,43.4,498,0,0,3,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CIS-5-NORBORNENE-EXO-2,3-DICARBOXYLIC ANHYDRIDE",002746-19-2,637794,"(1R,2R,6S,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione",C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)OC3=O,"InChI=1S/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2/t4-,5+,6+,7-",KNDQHSIWLOJIGP-RNGGSSJXSA-N,C9H8O3,164.16,164.0473441,0.7,43.4,277,0,0,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
"BICYCLO(2.2.1)5-HEPTENE-2,3-DICARBOXYLIC ANHYDRIDE",000826-62-0,13223,"4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione",C1C2C=CC1C3C2C(=O)OC3=O,"InChI=1S/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2",KNDQHSIWLOJIGP-UHFFFAOYSA-N,C9H8O3,164.16,164.0473441,0.7,43.4,277,0,0,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
"5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE",000126-81-8,31358,"5,5-dimethylcyclohexane-1,3-dione",CC1(CC(=O)CC(=O)C1)C,"InChI=1S/C8H12O2/c1-8(2)4-6(9)3-7(10)5-8/h3-5H2,1-2H3",BADXJIPKFRBFOT-UHFFFAOYSA-N,C8H12O2,140.18,140.0837296,0.8,34.1,162,0,0,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MONOCHLORODIMEDON,007298-89-7,122278,"2-chloro-5,5-dimethylcyclohexane-1,3-dione",CC1(CC(=O)C(C(=O)C1)Cl)C,"InChI=1S/C8H11ClO2/c1-8(2)3-5(10)7(9)6(11)4-8/h7H,3-4H2,1-2H3",VOBIHUAWDXUCPH-UHFFFAOYSA-N,C8H11ClO2,174.62,174.0447573,1.5,34.1,188,0,0,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-ACETYL-5,5-DIMETHYLCYCLOHEXANE-1,3-DIONE",001755-15-3,519448,"2-acetyl-5,5-dimethylcyclohexane-1,3-dione",CC(=O)C1C(=O)CC(CC1=O)(C)C,"InChI=1S/C10H14O3/c1-6(11)9-7(12)4-10(2,3)5-8(9)13/h9H,4-5H2,1-3H3",ITSKWKZDPHAQNK-UHFFFAOYSA-N,C10H14O3,182.22,182.0942943,0.8,51.2,256,0,0,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PROHEXADIONE CALCIUM,127277-53-6,184900,"3,5-dioxo-4-propanoylcyclohexane-1-carboxylic acid",CCC(=O)C1C(=O)CC(CC1=O)C(=O)O,"InChI=1S/C10H12O5/c1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13/h5,9H,2-4H2,1H3,(H,14,15)",BUCOQPHDYUOJSI-UHFFFAOYSA-N,C10H12O5,212.2,212.0684735,-0.4,88.5,313,0,1,5,3,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-CYCLOHEXANEDIONE",000504-02-9,10434,"cyclohexane-1,3-dione",C1CC(=O)CC(=O)C1,InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2,HJSLFCCWAKVHIW-UHFFFAOYSA-N,C6H8O2,112.13,112.0524295,0,34.1,112,0,0,2,0,8,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-DIMETHYL-1H-PYRAZOL-5-OL",005203-77-0,2766847,"2,5-dimethyl-1H-pyrazol-3-one",CC1=CC(=O)N(N1)C,"InChI=1S/C5H8N2O/c1-4-3-5(8)7(2)6-4/h3,6H,1-2H3",JXPVQFCUIAKFLT-UHFFFAOYSA-N,C5H8N2O,112.13,112.0636629,0.3,32.3,151,0,1,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-HYDROXY-1-METHYL-1H-PYRAZOLE,052867-35-3,11423563,2-methyl-1H-pyrazol-5-one,CN1C=CC(=O)N1,"InChI=1S/C4H6N2O/c1-6-3-2-4(7)5-6/h2-3H,1H3,(H,5,7)",WIISOYLZJJYTHT-UHFFFAOYSA-N,C4H6N2O,98.1,98.04801282,-0.1,32.3,119,0,1,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrazol-5-ol, 1-(6-methyl-2-benzothiazolyl)-4-butyl-3-methyl-",106690-14-6,351317,"1,2-dihydropyrazol-3-one",C1=CNNC1=O,"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)",XBYRMPXUBGMOJC-UHFFFAOYSA-N,C3H4N2O,84.08,84.03236276,-0.3,41.1,97,0,2,2,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-HYDROXY-1-METHYL-1H-PYRAZOLE,033641-15-5,10986160,2-methyl-1H-pyrazol-3-one,CN1C(=O)C=CN1,"InChI=1S/C4H6N2O/c1-6-4(7)2-3-5-6/h2-3,5H,1H3",JMARSTSWTFXHMC-UHFFFAOYSA-N,C4H6N2O,98.1,98.04801282,-0.1,32.3,119,0,1,2,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-METHYL-1H-PYRAZOL-5-OL,132712-71-1,319771,"5-methyl-1,2-dihydropyrazol-3-one",CC1=CC(=O)NN1,"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)",WGVHNCAJPFIFCR-UHFFFAOYSA-N,C4H6N2O,98.1,98.04801282,0.1,41.1,128,0,2,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phthalimide, N-(2,6-dioxo-3-piperidyl)-, L-(-)-",000841-67-8,92142,"2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione",C1CC(=O)NC(=O)[C@H]1N2C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m0/s1",UEJJHQNACJXSKW-VIFPVBQESA-N,C13H10N2O4,258.23,258.0640568,0.3,83.6,449,0,1,4,1,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Phthalimide, N-(2,6-dioxo-3-piperidyl)-, D-(+)-",002614-06-4,75792,"2-[(3R)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione",C1CC(=O)NC(=O)[C@@H]1N2C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m1/s1",UEJJHQNACJXSKW-SECBINFHSA-N,C13H10N2O4,258.23,258.0640568,0.3,83.6,449,0,1,4,1,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1H-Isoindole-1,3(2H)-dione, 4-amino-2-(2,6-dioxo-3-piperidinyl)-",19171-19-8,134780,"4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione",C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)N,"InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)",UVSMNLNDYGZFPF-UHFFFAOYSA-N,C13H11N3O4,273.24,273.0749558,0.2,110,504,0,2,5,1,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-4-fluoro-",,11859051,"2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione",C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)F,"InChI=1S/C13H9FN2O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5H2,(H,15,17,18)",CRAUTELYXAAAPW-UHFFFAOYSA-N,C13H9FN2O4,276.22,276.0546349,0.4,83.6,507,0,1,5,1,20,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE, 6-CHLORO-3-(DICHLOROMETHYL)-3,4-DIHYD",000133-67-5,5560,"6-chloro-3-(dichloromethyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide",C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)C(Cl)Cl,"InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)",LMJSLTNSBFUCMU-UHFFFAOYSA-N,C8H8Cl3N3O4S2,380.7,378.902181,0.6,135,571,0,3,7,2,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3,4-dihydro-6-(trifluoromethyl)-, 1,1-dioxide",135-09-1,3647,"1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide",C1NC2=C(C=C(C(=C2)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N1,"InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)",DMDGGSIALPNSEE-UHFFFAOYSA-N,C8H8F3N3O4S2,331.3,330.9908326,0.4,135,578,0,3,10,1,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-2-methyl-3-(((2,2,2-trifluoroethyl)thio)methyl)-, 1,1-dioxide",346-18-9,4870,"6-chloro-2-methyl-1,1-dioxo-3-(2,2,2-trifluoroethylsulfanylmethyl)-3,4-dihydro-1lambda6,2,4-benzothiadiazine-7-sulfonamide",CN1C(NC2=CC(=C(C=C2S1(=O)=O)S(=O)(=O)N)Cl)CSCC(F)(F)F,"InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20)",CYLWJCABXYDINA-UHFFFAOYSA-N,C11H13ClF3N3O4S3,439.9,438.9708816,2.6,152,692,0,2,11,4,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-4-nitroso-, 1,1-dioxide",63779-86-2,3047617,"6-chloro-4-nitroso-1,1-dioxo-2,3-dihydro-1lambda6,2,4-benzothiadiazine-7-sulfonamide",C1NS(=O)(=O)C2=CC(=C(C=C2N1N=O)Cl)S(=O)(=O)N,"InChI=1S/C7H7ClN4O5S2/c8-4-1-5-7(2-6(4)18(9,14)15)19(16,17)10-3-12(5)11-13/h1-2,10H,3H2,(H2,9,14,15)",QJNIRHJVSXLTEW-UHFFFAOYSA-N,C7H7ClN4O5S2,326.7,325.9546394,-0.2,156,567,0,2,9,1,19,,,0,0,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
METHIMAZOLE,000060-56-0,1349907,3-methyl-1H-imidazole-2-thione,CN1C=CNC1=S,"InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)",PMRYVIKBURPHAH-UHFFFAOYSA-N,C4H6N2S,114.17,114.0251694,-0.3,47.4,119,0,1,1,0,7,,280 °C WITH SOME DECOMP,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0
2-MERCAPTOIMIDAZOLE,000872-35-5,1201386,"1,3-dihydroimidazole-2-thione",C1=CNC(=S)N1,"InChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)",OXFSTTJBVAAALW-UHFFFAOYSA-N,C3H4N2S,100.14,100.0095193,-0.3,56.2,87,0,2,1,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-Imidazole-2-thione, 1,3-dihydro-4-methyl-",3247-70-9,2759857,"4-methyl-1,3-dihydroimidazole-2-thione",CC1=CNC(=S)N1,"InChI=1S/C4H6N2S/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)",SBQPDLGIWJRKBS-UHFFFAOYSA-N,C4H6N2S,114.17,114.0251694,0.1,56.2,128,0,2,1,0,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Imidazoline-1-carboxylic acid, 3-methyl-2-thioxo-, ethyl ester",22232-54-8,31072,ethyl 3-methyl-2-sulfanylideneimidazole-1-carboxylate,CCOC(=O)N1C=CN(C1=S)C,"InChI=1S/C7H10N2O2S/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2,1-2H3",CFOYWRHIYXMDOT-UHFFFAOYSA-N,C7H10N2O2S,186.23,186.0462987,0.7,64.9,240,0,0,3,2,12,,,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,1,1,0
"Imidazole-2-thiol, 5-ethoxycarbonyl-",64038-64-8,2736338,"ethyl 2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate",CCOC(=O)C1=CNC(=S)N1,"InChI=1S/C6H8N2O2S/c1-2-10-5(9)4-3-7-6(11)8-4/h3H,2H2,1H3,(H2,7,8,11)",PONOGPICUOALRU-UHFFFAOYSA-N,C6H8N2O2S,172.21,172.0306487,0.2,82.5,225,0,2,3,3,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-AMINOPHTHALHYDRAZIDE,000521-31-3,10638,"5-amino-2,3-dihydrophthalazine-1,4-dione",C1=CC2=C(C(=C1)N)C(=O)NNC2=O,"InChI=1S/C8H7N3O2/c9-5-3-1-2-4-6(5)8(13)11-10-7(4)12/h1-3H,9H2,(H,10,12)(H,11,13)",HWYHZTIRURJOHG-UHFFFAOYSA-N,C8H7N3O2,177.16,177.0538265,0.3,84.2,254,0,3,3,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-Phthalazinedione, 2,3-dihydro-",001445-69-8,219401,"2,3-dihydrophthalazine-1,4-dione",C1=CC=C2C(=C1)C(=O)NNC2=O,"InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)8(12)10-9-7/h1-4H,(H,9,11)(H,10,12)",KGLPWQKSKUVKMJ-UHFFFAOYSA-N,C8H6N2O2,162.15,162.0429274,0.9,58.2,203,0,2,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-PHTHALAZINEDIONE, 2,3-DIHYDRO-5-NITRO-",003682-15-3,3525223,"5-nitro-2,3-dihydrophthalazine-1,4-dione",C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)NNC2=O,"InChI=1S/C8H5N3O4/c12-7-4-2-1-3-5(11(14)15)6(4)8(13)10-9-7/h1-3H,(H,9,12)(H,10,13)",YVOBBFQJMOGQOU-UHFFFAOYSA-N,C8H5N3O4,207.14,207.0280057,0.3,104,324,0,2,4,0,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(4-AMINOBUTYL)-N-ETHYLISOLUMINOL,066612-29-1,196441,"6-[4-aminobutyl(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione",CCN(CCCCN)C1=CC2=C(C=C1)C(=O)NNC2=O,"InChI=1S/C14H20N4O2/c1-2-18(8-4-3-7-15)10-5-6-11-12(9-10)14(20)17-16-13(11)19/h5-6,9H,2-4,7-8,15H2,1H3,(H,16,19)(H,17,20)",LEOJISUPFSWNMA-UHFFFAOYSA-N,C14H20N4O2,276.33,276.1586259,0.7,87.5,361,0,3,4,6,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-AMINOPHTHALHYDRAZIDE HYDRATE,003682-14-2,95014,"6-amino-2,3-dihydrophthalazine-1,4-dione",C1=CC2=C(C=C1N)C(=O)NNC2=O,"InChI=1S/C8H7N3O2/c9-4-1-2-5-6(3-4)8(13)11-10-7(5)12/h1-3H,9H2,(H,10,12)(H,11,13)",HUDPLKWXRLNSPC-UHFFFAOYSA-N,C8H7N3O2,177.16,177.0538265,-0.2,84.2,254,0,3,3,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DL-THIOCTIC ACID,001077-28-7,864,5-(dithiolan-3-yl)pentanoic acid,C1CSSC1CCCCC(=O)O,"InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)",AGBQKNBQESQNJD-UHFFFAOYSA-N,C8H14O2S2,206.3,206.043522,1.7,87.9,150,0,1,4,5,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"DL-6,8-THIOCTIC ACID AMIDE",003206-73-3,863,5-(dithiolan-3-yl)pentanamide,C1CSSC1CCCCC(=O)N,"InChI=1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10)",FCCDDURTIIUXBY-UHFFFAOYSA-N,C8H15NOS2,205.3,205.0595065,1,93.7,152,0,1,3,5,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(R)-1,2-DITHIOLANE-3-PENTANOIC ACID",001200-22-2,1549144,5-[(3R)-dithiolan-3-yl]pentanoate,C1CSS[C@@H]1CCCCC(=O)[O-],"InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/p-1/t7-/m1/s1",AGBQKNBQESQNJD-SSDOTTSWSA-M,C8H13O2S2-,205.3,205.035697,2.3,90.7,144,-1,0,4,4,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LIPOAMIDE-PEG-COOH,1334172-71-2,77078206,3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid,C1CSSC1CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O,"InChI=1S/C35H67NO15S2/c37-34(4-2-1-3-33-6-32-52-53-33)36-7-9-41-11-13-43-15-17-45-19-21-47-23-25-49-27-29-51-31-30-50-28-26-48-24-22-46-20-18-44-16-14-42-12-10-40-8-5-35(38)39/h33H,1-32H2,(H,36,37)(H,38,39)",KTDABPXYRAJNFQ-UHFFFAOYSA-N,C35H67NO15S2,806,805.3952128,-0.8,228,794,0,2,17,44,53,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
(+/-)-TETRAHYDROPAPAVEROLINE HYDROBROMIDE,016659-88-4,2724278,"1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide",C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC(=C(C=C3)O)O.Br,"InChI=1S/C16H17NO4.BrH/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12;/h1-2,6-8,12,17-21H,3-5H2;1H",WAADYLVPNMRUKN-UHFFFAOYSA-N,C16H18BrNO4,368.22,367.04192,,93,353,0,6,5,2,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-veratryl-, (+-)-",1699-51-0,15548,"1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline",CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC,"InChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3",KGPAYJZAMGEDIQ-UHFFFAOYSA-N,C21H27NO4,357.4,357.1940083,3.7,40.2,434,0,0,5,6,26,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"6,7-Isoquinolinediol, 1-((3,4-dihydroxyphenyl)methyl)-1,2,3,4-tetrahydro-",4747-99-3,18519,"1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol",C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC(=C(C=C3)O)O,"InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2",ABXZOXDTHTTZJW-UHFFFAOYSA-N,C16H17NO4,287.31,287.115758,1.9,93,353,0,5,5,2,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-veratryl-, hydrochloride",4/5/29,16667431,"1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride",COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)OC)OC.Cl,"InChI=1S/C20H25NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-6,10-12,16,21H,7-9H2,1-4H3;1H",VMPLLPIDRGXFTQ-UHFFFAOYSA-N,C20H26ClNO4,379.9,379.155036,,49,407,0,2,5,6,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-(6-HYDROXY-2,4,5,7-TETRAIODO-3-OXO-3H-XANTHEN-9-YL)BENZOIC ACID,DISODIUM SAL",000568-63-8,27872,"disodium;2-(2,4,5,7-tetraiodo-3-oxido-6-oxoxanthen-9-yl)benzoate",C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)I)[O-])I)I)I)C(=O)[O-].[Na+].[Na+],"InChI=1S/C20H8I4O5.2Na/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;;/h1-6,25H,(H,27,28);;/q;2*+1/p-2",IINNWAYUJNWZRM-UHFFFAOYSA-L,C20H6I4Na2O5,879.9,879.619,,89.5,796,0,0,5,1,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"FLUORESCEIN, DISODIUM SALT",000518-47-8,10608,disodium;2-(3-oxido-6-oxoxanthen-9-yl)benzoate,C1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)[O-])C(=O)[O-].[Na+].[Na+],"InChI=1S/C20H12O5.2Na/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24;;/h1-10,21H,(H,23,24);;/q;2*+1/p-2",NJDNXYGOVLYJHP-UHFFFAOYSA-L,C20H10Na2O5,376.3,376.032362,,89.5,644,0,0,5,1,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"9-PHENYL-2,3,7-THIHYDROXY-6-FLUORONE",000975-17-7,70420,"2,6,7-trihydroxy-9-phenylxanthen-3-one",C1=CC=C(C=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O,"InChI=1S/C19H12O5/c20-13-6-11-17(8-15(13)22)24-18-9-16(23)14(21)7-12(18)19(11)10-4-2-1-3-5-10/h1-9,20-22H",YDCFOUBAMGLLKA-UHFFFAOYSA-N,C19H12O5,320.3,320.0684735,2.4,87,638,0,3,5,1,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
EOSINE DISODIUM SALT,017372-87-1,11048,"disodium;2-(2,4,5,7-tetrabromo-3-oxido-6-oxoxanthen-9-yl)benzoate",C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)Br)C(=O)[O-].[Na+].[Na+],"InChI=1S/C20H8Br4O5.2Na/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;;/h1-6,25H,(H,27,28);;/q;2*+1/p-2",SEACYXSIPDVVMV-UHFFFAOYSA-L,C20H6Br4Na2O5,691.9,691.67031,,89.5,796,0,0,5,1,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ROSE BENGAL SODIUM,000632-69-9,32343,"disodium;2,3,4,5-tetrachloro-6-(2,4,5,7-tetraiodo-3-oxido-6-oxoxanthen-9-yl)benzoate",C1=C2C(=C3C=C(C(=O)C(=C3OC2=C(C(=C1I)[O-])I)I)I)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)[O-].[Na+].[Na+],"InChI=1S/C20H4Cl4I4O5.2Na/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28;;/h1-2,29H,(H,31,32);;/q;2*+1/p-2",UWBXIFCTIZXXLS-UHFFFAOYSA-L,C20H2Cl4I4Na2O5,1017.6,1017.4601,,89.5,936,0,0,5,1,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
CINCHOPHEN,000132-60-5,8593,2-phenylquinoline-4-carboxylic acid,C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O,"InChI=1S/C16H11NO2/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,(H,18,19)",YTRMTPPVNRALON-UHFFFAOYSA-N,C16H11NO2,249.26,249.0789786,3.4,50.2,325,0,1,3,2,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cinchoninic acid, 3-hydroxy-2-phenyl-",485-89-2,10239,3-hydroxy-2-phenylquinoline-4-carboxylic acid,C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2O)C(=O)O,"InChI=1S/C16H11NO3/c18-15-13(16(19)20)11-8-4-5-9-12(11)17-14(15)10-6-2-1-3-7-10/h1-9,18H,(H,19,20)",XAPRFLSJBSXESP-UHFFFAOYSA-N,C16H11NO3,265.26,265.0738932,3.6,70.4,354,0,2,4,2,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Quinolinecarboxylic acid, 6-methyl-2-phenyl-, ethyl ester",485-34-7,68089,ethyl 6-methyl-2-phenylquinoline-4-carboxylate,CCOC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=CC=CC=C3,"InChI=1S/C19H17NO2/c1-3-22-19(21)16-12-18(14-7-5-4-6-8-14)20-17-10-9-13(2)11-15(16)17/h4-12H,3H2,1-2H3",BUDBHJPMAKXMLD-UHFFFAOYSA-N,C19H17NO2,291.3,291.1259288,4.4,39.2,378,0,0,3,4,22,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
9-HYDROXYXANTHENE,000090-46-0,72861,9H-xanthen-9-ol,C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)O,"InChI=1S/C13H10O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8,13-14H",JFRMYMMIJXLMBB-UHFFFAOYSA-N,C13H10O2,198.22,198.0680796,1.9,29.5,207,0,1,2,0,15,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, xanthene-9-carboxylate",53-46-3,5883,diethyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium bromide,CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13.[Br-],"InChI=1S/C21H26NO3.BrH/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20;/h6-13,20H,4-5,14-15H2,1-3H3;1H/q+1;/p-1",PQMWYJDJHJQZDE-UHFFFAOYSA-M,C21H26BrNO3,420.3,419.10961,,35.5,426,0,0,4,7,26,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-PROPANAMINIUM, N-METHYL-N-(1-METHYLETHYL)-N-[2-[(9H-XANTHEN-9-YLCARBONYL)OXY",000050-34-0,9279,methyl-di(propan-2-yl)-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium bromide,CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C(C)C.[Br-],"InChI=1S/C23H30NO3.BrH/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22;/h6-13,16-17,22H,14-15H2,1-5H3;1H/q+1;/p-1",XLBIBBZXLMYSFF-UHFFFAOYSA-M,C23H30BrNO3,448.4,447.14091,,35.5,474,0,0,4,7,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(3S)-CIS-3,6-DIMETHYL-1,4-DIOXANE-2,5-DIONE",004511-42-6,107983,"(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione",C[C@H]1C(=O)O[C@H](C(=O)O1)C,"InChI=1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3/t3-,4-/m0/s1",JJTUDXZGHPGLLC-IMJSIDKUSA-N,C6H8O4,144.12,144.0422587,0.6,52.6,155,0,0,4,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"(3R-CIS)-3,6-DIMETHYL-1,4-DIOXANE-2,5-DIONE",013076-17-0,5325924,"(3R,6R)-3,6-dimethyl-1,4-dioxane-2,5-dione",C[C@@H]1C(=O)O[C@@H](C(=O)O1)C,"InChI=1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3/t3-,4-/m1/s1",JJTUDXZGHPGLLC-QWWZWVQMSA-N,C6H8O4,144.12,144.0422587,0.6,52.6,155,0,0,4,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,4-DIOXANE-2,5-DIONE, 3,6-DIMETHYL-, TRANS-",013076-19-2,6950374,"(3R,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione",C[C@@H]1C(=O)O[C@H](C(=O)O1)C,"InChI=1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3/t3-,4+",JJTUDXZGHPGLLC-ZXZARUISSA-N,C6H8O4,144.12,144.0422587,0.6,52.6,155,0,0,4,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
GLYCOLIDE,000502-97-6,65432,"1,4-dioxane-2,5-dione",C1C(=O)OCC(=O)O1,InChI=1S/C4H4O4/c5-3-1-7-4(6)2-8-3/h1-2H2,RKDVKSZUMVYZHH-UHFFFAOYSA-N,C4H4O4,116.07,116.0109586,-0.2,52.6,112,0,0,4,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
N-PHENYL-1-NAPHTHYLAMINE,000090-30-2,7013,N-phenylnaphthalen-1-amine,C1=CC=C(C=C1)NC2=CC=CC3=CC=CC=C32,"InChI=1S/C16H13N/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17H",XQVWYOYUZDUNRW-UHFFFAOYSA-N,C16H13N,219.28,219.1047994,4.4,12,232,0,1,1,2,17,Flash point > 200 °C,"635 °F at 528 mmHg (NTP, 1992)",1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
8-ANILINO-1-NAPHTHALENESULFONIC ACID,000082-76-8,1369,8-anilinonaphthalene-1-sulfonic acid,C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)O,"InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)",FWEOQOXTVHGIFQ-UHFFFAOYSA-N,C16H13NO3S,299.3,299.0616145,3.5,74.8,439,0,2,4,3,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-NAPHTHALENESULFONIC ACID, 8-[(4-METHYLPHENYL)AMINO]-",000129-90-8,67216,8-(4-methylanilino)naphthalene-1-sulfonic acid,CC1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)O,"InChI=1S/C17H15NO3S/c1-12-8-10-14(11-9-12)18-15-6-2-4-13-5-3-7-16(17(13)15)22(19,20)21/h2-11,18H,1H3,(H,19,20,21)",FDXOYIGOUGEQBC-UHFFFAOYSA-N,C17H15NO3S,313.4,313.0772645,3.8,74.8,465,0,2,4,3,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-NAPHTHALENAMINE, N-(DODECYLPHENYL)-",064654-05-3,116650,N-(2-dodecylphenyl)naphthalen-1-amine,CCCCCCCCCCCCC1=CC=CC=C1NC2=CC=CC3=CC=CC=C32,"InChI=1S/C28H37N/c1-2-3-4-5-6-7-8-9-10-11-18-25-19-13-15-22-27(25)29-28-23-16-20-24-17-12-14-21-26(24)28/h12-17,19-23,29H,2-11,18H2,1H3",JSIRUVGNQVWPSE-UHFFFAOYSA-N,C28H37N,387.6,387.2926002,10.9,12,405,0,1,1,13,29,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
TRANS-NONACHLOR,039765-80-5,12313421,"(1S,2R,3S,5R,6S,7R)-1,3,4,5,7,8,9,10,10-nonachlorotricyclo[5.2.1.02,6]dec-8-ene",[C@@H]12[C@@H]([C@H](C([C@H]1Cl)Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl,"InChI=1S/C10H5Cl9/c11-3-1-2(4(12)5(3)13)9(17)7(15)6(14)8(1,16)10(9,18)19/h1-5H/t1-,2+,3+,4-,5?,8+,9-",OCHOKXCPKDPNQU-FLVMBEMLSA-N,C10H5Cl9,444.2,443.752899,5.2,0,447,0,0,0,0,19,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"CHLORDANE, TECHNICAL GRADE",012789-03-6,5993,"1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene",C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,"InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2",BIWJNBZANLAXMG-UHFFFAOYSA-N,C10H6Cl8,409.8,409.791872,4.9,0,459,0,0,0,0,18,,,1,1,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CHLORDANE,000057-74-9,11954021,"(1R,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene",C1C2C(C(C1Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl,"InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2?,3?,4?,5?,8-,9+/m0/s1",BIWJNBZANLAXMG-YQELWRJZSA-N,C10H6Cl8,409.8,409.791872,4.9,0,459,0,0,0,0,18,"Solution: 225 °F (open cup), 132 °F (closed cup)","347 °F at 2 mmHg (EPA, 1998)",1,1,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Benzimidazolinone, 5,6-dichloro-1-methyl-",,24834851,"5,6-dichloro-3-methyl-1H-benzimidazol-2-one",CN1C2=CC(=C(C=C2NC1=O)Cl)Cl,"InChI=1S/C8H6Cl2N2O/c1-12-7-3-5(10)4(9)2-6(7)11-8(12)13/h2-3H,1H3,(H,11,13)",DSAGNUWLILOLPG-UHFFFAOYSA-N,C8H6Cl2N2O,217.05,215.9857182,2,32.3,236,0,1,1,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-PHENYLIMIDAZOLE,000670-96-2,69591,2-phenyl-1H-imidazole,C1=CC=C(C=C1)C2=NC=CN2,"InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H,(H,10,11)",ZCUJYXPAKHMBAZ-UHFFFAOYSA-N,C9H8N2,144.17,144.0687483,1.9,28.7,119,0,1,1,1,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-IMIDAZOLE-1-PROPANENITRILE, 2-PHENYL-",023996-12-5,90325,3-(2-phenylimidazol-1-yl)propanenitrile,C1=CC=C(C=C1)C2=NC=CN2CCC#N,"InChI=1S/C12H11N3/c13-7-4-9-15-10-8-14-12(15)11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,9H2",BVYPJEBKDLFIDL-UHFFFAOYSA-N,C12H11N3,197.24,197.0952974,1.3,41.6,236,0,0,2,3,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-IMIDAZOLE-4,5-DIMETHANOL, 2-PHENYL-",061698-32-6,109115,[4-(hydroxymethyl)-2-phenyl-1H-imidazol-5-yl]methanol,C1=CC=C(C=C1)C2=NC(=C(N2)CO)CO,"InChI=1S/C11H12N2O2/c14-6-9-10(7-15)13-11(12-9)8-4-2-1-3-5-8/h1-5,14-15H,6-7H2,(H,12,13)",UUQQGGWZVKUCBD-UHFFFAOYSA-N,C11H12N2O2,204.22,204.0898776,0,69.1,195,0,3,3,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H-IMIDAZOLE-1-PROPANENITRILE, 4,5-BIS[(2-CYANOETHOXY)METHYL]-2-PHENYL-",065652-67-7,103430,"3-[4,5-bis(2-cyanoethoxymethyl)-2-phenylimidazol-1-yl]propanenitrile",C1=CC=C(C=C1)C2=NC(=C(N2CCC#N)COCCC#N)COCCC#N,"InChI=1S/C20H21N5O2/c21-9-4-12-25-19(16-27-14-6-11-23)18(15-26-13-5-10-22)24-20(25)17-7-2-1-3-8-17/h1-3,7-8H,4-6,12-16H2",XGQUSGCBVBFRGX-UHFFFAOYSA-N,C20H21N5O2,363.4,363.1695249,0.1,108,577,0,0,6,11,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-IMIDAZOLE, 4-METHYL-2-PHENYL-",000827-43-0,70012,5-methyl-2-phenyl-1H-imidazole,CC1=CN=C(N1)C2=CC=CC=C2,"InChI=1S/C10H10N2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)",TYOXIFXYEIILLY-UHFFFAOYSA-N,C10H10N2,158.2,158.0843983,2.1,28.7,141,0,1,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ALPHA-AMYRIN,000638-95-9,73170,"(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol",C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C,"InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1",FSLPMRQHCOLESF-SFMCKYFRSA-N,C30H50O,426.7,426.3861662,9,20.2,779,0,1,1,0,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BETA-AMYRIN,000559-70-6,73145,"(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol",C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]1CC(CC2)(C)C)C,"InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1",JFSHUTJDVKUMTJ-QHPUVITPSA-N,C30H50O,426.7,426.3861662,9.2,20.2,790,0,1,1,0,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(3-BETA,4-ALPHA)-3,23-DIHYDROXYOLEAN-12-EN-28-OIC ACID",000465-99-6,73299,"(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid",C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)O,"InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1",PGOYMURMZNDHNS-MYPRUECHSA-N,C30H48O4,472.7,472.35526,6.8,77.8,907,0,3,4,2,34,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Olean-12-ene-28,29-dioic acid, 2,3,23-trihydroxy-, 29-methyl ester, (2-beta,3-beta,4-alpha,20-beta)-",1802-12-6,21594228,"(2S,4aR,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid",C[C@@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2C1)C)C(=O)O)C(=O)OC,"InChI=1S/C31H48O7/c1-26(25(37)38-6)11-13-31(24(35)36)14-12-29(4)18(19(31)15-26)7-8-22-27(2)16-20(33)23(34)28(3,17-32)21(27)9-10-30(22,29)5/h7,19-23,32-34H,8-17H2,1-6H3,(H,35,36)/t19-,20-,21+,22+,23-,26-,27-,28-,29+,30+,31-/m0/s1",CYJWWQALTIKOAG-FLORRLIPSA-N,C31H48O7,532.7,532.3400039,4.5,124,1050,0,4,7,4,38,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Olean-12-en-28-oic acid, 3-(acetyloxy)-, (3-beta)-",4339-72-4,151202,"(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid",CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)C,"InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1",RIXNFYQZWDGQAE-DFHVBEEKSA-N,C32H50O4,498.7,498.3709101,8.1,63.6,992,0,1,4,3,36,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-DIHYDRO-1H-INDEN-1-ONE",000083-33-0,6735,"2,3-dihydroinden-1-one",C1CC(=O)C2=CC=CC=C21,"InChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2",QNXSIUBBGPHDDE-UHFFFAOYSA-N,C9H8O,132.16,132.0575149,1.7,17.1,151,0,0,1,0,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-INDEN-1-ONE, 2,3-DIHYDRO-5,6-DIMETHOXY-",002107-69-9,75018,"5,6-dimethoxy-2,3-dihydroinden-1-one",COC1=C(C=C2C(=C1)CCC2=O)OC,"InChI=1S/C11H12O3/c1-13-10-5-7-3-4-9(12)8(7)6-11(10)14-2/h5-6H,3-4H2,1-2H3",IHMQOBPGHZFGLC-UHFFFAOYSA-N,C11H12O3,192.21,192.0786442,1.6,35.5,227,0,0,3,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Indanone, 4-bromo-",15115-60-3,98713,"4-bromo-2,3-dihydroinden-1-one",C1CC(=O)C2=C1C(=CC=C2)Br,"InChI=1S/C9H7BrO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5H2",UVVYFYLSZIMKMC-UHFFFAOYSA-N,C9H7BrO,211.05,209.96803,2.4,17.1,178,0,0,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-Indene-1-acetic acid, 2,3-dihydro-3-oxo-",25173-12-0,212851,"2-(3-oxo-1,2-dihydroinden-1-yl)acetic acid",C1C(C2=CC=CC=C2C1=O)CC(=O)O,"InChI=1S/C11H10O3/c12-10-5-7(6-11(13)14)8-3-1-2-4-9(8)10/h1-4,7H,5-6H2,(H,13,14)",SOHVBHRLBOMHIS-UHFFFAOYSA-N,C11H10O3,190.19,190.0629942,1,54.4,259,0,1,3,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indene-1-carboxylic acid, 2,3-dihydro-3-oxo-",29427-69-8,99815,"3-oxo-1,2-dihydroindene-1-carboxylic acid",C1C(C2=CC=CC=C2C1=O)C(=O)O,"InChI=1S/C10H8O3/c11-9-5-8(10(12)13)6-3-1-2-4-7(6)9/h1-4,8H,5H2,(H,12,13)",HXLJFMRZKCSTQD-UHFFFAOYSA-N,C10H8O3,176.17,176.0473441,0.9,54.4,247,0,1,3,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LABETALOL HYDROCHLORIDE,032780-64-6,71412,2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochloride,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O.Cl,"InChI=1S/C19H24N2O3.ClH/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24;/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24);1H",WQVZLXWQESQGIF-UHFFFAOYSA-N,C19H25ClN2O3,364.9,364.1553704,,95.6,385,0,5,4,8,25,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
"1,2-Benzenediol, 4-(2-((3-(4-hydroxyphenyl)-1-methylpropyl)amino)ethyl)-, hydr",052663-81-7,65324,"4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol;hydrochloride",CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O.Cl,"InChI=1S/C18H23NO3.ClH/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;/h4-9,12-13,19-22H,2-3,10-11H2,1H3;1H",BQKADKWNRWCIJL-UHFFFAOYSA-N,C18H24ClNO3,337.8,337.1444713,,72.7,305,0,5,4,7,23,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Benzyl alcohol, p-hydroxy-alpha-(1-((1-methyl-3-phenylpropyl)amino)ethyl)-, hydrochloride",849-55-8,5702098,4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenol;hydrochloride,CC(CCC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O.Cl,"InChI=1S/C19H25NO2.ClH/c1-14(8-9-16-6-4-3-5-7-16)20-15(2)19(22)17-10-12-18(21)13-11-17;/h3-7,10-15,19-22H,8-9H2,1-2H3;1H",CLJHABUMMDMAFA-UHFFFAOYSA-N,C19H26ClNO2,335.9,335.1652068,,52.5,296,0,4,3,7,23,,,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-Benzenediol, 4-(2-((3-(4-hydroxyphenyl)-1-methylpropyl)amino)ethyl)-",34368-04-2,36811,"4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol",CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O,"InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3",JRWZLRBJNMZMFE-UHFFFAOYSA-N,C18H23NO3,301.4,301.1677936,3.4,72.7,305,0,4,4,7,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Benzamide, 2-hydroxy-5-(1-hydroxy-2-((1-methyl-3-phenylpropyl)amino)ethyl)-",36894-69-6,3869,2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide,CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O,"InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)",SGUAFYQXFOLMHL-UHFFFAOYSA-N,C19H24N2O3,328.4,328.1786926,3.1,95.6,385,0,4,4,8,24,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
"Malononitrile, (2,3,6,7-tetrahydro-1H,5H-benzo(ij)quinolizin-9-ylmethylene)-",58293-56-4,2963,"2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)propanedinitrile",C1CC2=CC(=CC3=C2N(C1)CCC3)C=C(C#N)C#N,"InChI=1S/C16H15N3/c17-10-13(11-18)7-12-8-14-3-1-5-19-6-2-4-15(9-12)16(14)19/h7-9H,1-6H2",LROAUBRDKLVBCP-UHFFFAOYSA-N,C16H15N3,249.31,249.1265975,2.9,50.8,437,0,0,3,1,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3,6,7-TETRAHYDRO-1H,5H-BENZO[IJ]QUINOLIZINE-9-CARBOXALDEHYDE",033985-71-6,98700,"1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carbaldehyde",C1CC2=CC(=CC3=C2N(C1)CCC3)C=O,"InChI=1S/C13H15NO/c15-9-10-7-11-3-1-5-14-6-2-4-12(8-10)13(11)14/h7-9H,1-6H2",XIIVBURSIWWDEO-UHFFFAOYSA-N,C13H15NO,201.26,201.1153641,2.3,20.3,233,0,0,2,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H,5H-BENZO[IJ]QUINOLIZIN-8-OL, 2,3,6,7-TETRAHYDRO-",041175-50-2,170474,"1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol",C1CC2=C3C(=C(C=C2)O)CCCN3C1,"InChI=1S/C12H15NO/c14-11-6-5-9-3-1-7-13-8-2-4-10(11)12(9)13/h5-6,14H,1-4,7-8H2",FOFUWJNBAQJABO-UHFFFAOYSA-N,C12H15NO,189.25,189.1153641,2.5,23.5,218,0,1,2,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H,5H-BENZO[IJ]QUINOLIZINE-9-CARBOXALDEHYDE, 2,3,6,7-TETRAHYDRO-8-HYDROXY-",063149-33-7,113099,"6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbaldehyde",C1CC2=CC(=C(C3=C2N(C1)CCC3)O)C=O,"InChI=1S/C13H15NO2/c15-8-10-7-9-3-1-5-14-6-2-4-11(12(9)14)13(10)16/h7-8,16H,1-6H2",NRZXBDYODHLZBF-UHFFFAOYSA-N,C13H15NO2,217.26,217.1102787,2.5,40.5,281,0,1,3,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SERTRALINE HYDROCHLORIDE,079559-97-0,63009,"(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride",CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl,"InChI=1S/C17H17Cl2N.ClH/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11;/h2-6,8,10,12,17,20H,7,9H2,1H3;1H/t12-,17-;/m0./s1",BLFQGGGGFNSJKA-XHXSRVRCSA-N,C17H18Cl3N,342.7,341.050483,,12,322,0,2,1,2,21,,,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1-Naphthylamine, 1,2,3,4-tetrahydro-N-methyl-4-phenyl-, hydrochloride, (Z)-",52371-38-7,3034724,"(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride",CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC=CC=C3.Cl,"InChI=1S/C17H19N.ClH/c1-18-17-12-11-14(13-7-3-2-4-8-13)15-9-5-6-10-16(15)17;/h2-10,14,17-18H,11-12H2,1H3;1H/t14-,17-;/m0./s1",XTSOELQVDLSJFM-RVXRQPKJSA-N,C17H20ClN,273.8,273.1284273,,12,256,0,2,1,2,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SRE,64772-24-3,68617,"(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine",CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl,"InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1",VGKDLMBJGBXTGI-SJCJKPOMSA-N,C17H17Cl2N,306.2,305.0738049,4.8,12,322,0,1,1,2,20,,416.3±45.0 °C,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-, (1S-cis)-",87857-41-8,114743,"(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine",C1C[C@@H](C2=CC=CC=C2[C@@H]1C3=CC(=C(C=C3)Cl)Cl)N,"InChI=1S/C16H15Cl2N/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11,16H,6,8,19H2/t11-,16-/m0/s1",SRPXSILJHWNFMK-ZBEGNZNMSA-N,C16H15Cl2N,292.2,291.0581549,4.3,26,309,0,1,1,1,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propanamide, N-(1,2,3,4-tetrahydro-4-phenyl-2-naphthalenyl)-",134865-74-0,3976006,"N-(4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide",CCC(=O)NC1CC(C2=CC=CC=C2C1)C3=CC=CC=C3,"InChI=1S/C19H21NO/c1-2-19(21)20-16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,2,12-13H2,1H3,(H,20,21)",RCYLUNPFECYGDW-UHFFFAOYSA-N,C19H21NO,279.4,279.1623143,3.9,29.1,347,0,1,1,3,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
(-) -Gallocatechin Gallate,004233-96-9,199472,"[(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate",C1[C@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1",WMBWREPUVVBILR-NQIIRXRSSA-N,C22H18O11,458.4,458.0849114,1.2,197,667,0,8,11,4,33,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Camellia sinensis (green tea), leaf, polyphenols",84650-60-2,1287,"[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate",C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2",WMBWREPUVVBILR-UHFFFAOYSA-N,C22H18O11,458.4,458.0849114,1.2,197,667,0,8,11,4,33,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
(-)-Epigallocatechin Gallate,000989-51-5,65064,"[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate",C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O,"InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1",WMBWREPUVVBILR-WIYYLYMNSA-N,C22H18O11,458.4,458.0849114,1.2,197,667,0,8,11,4,33,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
(-)-Catechin Gallate,130405-40-2,6419835,"[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate",C1[C@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O,"InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1",LSHVYAFMTMFKBA-CTNGQTDRSA-N,C22H18O10,442.4,442.0899968,1.5,177,649,0,7,10,4,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(-)-Epicatechin Gallate,001257-08-5,107905,"[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate",C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O,"InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1",LSHVYAFMTMFKBA-TZIWHRDSSA-N,C22H18O10,442.4,442.0899968,1.5,177,649,0,7,10,4,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMODIAQUINE HYDROCHLORIDE,006398-98-7,16218886,4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;hydrate;hydrochloride,CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.O.Cl,"InChI=1S/C20H22ClN3O.ClH.H2O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19;;/h5-12,25H,3-4,13H2,1-2H3,(H,22,23);1H;1H2",AOFIMJMWPZOPAJ-UHFFFAOYSA-N,C20H25Cl2N3O2,410.3,409.1323824,,49.4,406,0,4,5,6,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 2-(8'-trifluoromethyl-4'-quinolylamino)-, 2,3-dihydroxypropyl ester",23779-99-9,3360,"2,3-dihydroxypropyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate",C1=CC=C(C(=C1)C(=O)OCC(CO)O)NC2=C3C=CC=C(C3=NC=C2)C(F)(F)F,"InChI=1S/C20H17F3N2O4/c21-20(22,23)15-6-3-5-13-17(8-9-24-18(13)15)25-16-7-2-1-4-14(16)19(28)29-11-12(27)10-26/h1-9,12,26-27H,10-11H2,(H,24,25)",APQPGQGAWABJLN-UHFFFAOYSA-N,C20H17F3N2O4,406.4,406.1140415,3.7,91.7,548,0,3,9,7,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-, (2E)-",257933-82-7,6445562,(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide,CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C,"InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+",WVUNYSQLFKLYNI-AATRIKPKSA-N,C24H23ClFN5O2,467.9,467.1524308,4.5,90.3,729,0,2,7,8,33,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"o-Cresol, 4-((7-chloro-4-quinolyl)amino)-alpha-(diethylamino)-",86-42-0,2165,4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol,CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O,"InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)",OVCDSSHSILBFBN-UHFFFAOYSA-N,C20H22ClN3O,355.9,355.14514,2.6,48.4,406,0,2,4,6,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,3-DIAMINOPHENAZINE",000655-86-7,410099,"phenazine-2,3-diamine",C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N,"InChI=1S/C12H10N4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H,13-14H2",VZPGINJWPPHRLS-UHFFFAOYSA-N,C12H10N4,210.23,210.0905463,1.3,77.8,231,0,2,4,0,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Phenazinol, 8-amino-7-methyl-",92-25-1,135441779,8-amino-7-methylphenazin-2-ol,CC1=CC2=NC3=C(C=C(C=C3)O)N=C2C=C1N,"InChI=1S/C13H11N3O/c1-7-4-11-13(6-9(7)14)16-12-5-8(17)2-3-10(12)15-11/h2-6,17H,14H2,1H3",KWBJTBKOXIZLGY-UHFFFAOYSA-N,C13H11N3O,225.25,225.090212,2,72,286,0,2,4,0,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-PHENAZINECARBOXYLIC ACID,002538-68-3,95069,phenazine-1-carboxylic acid,C1=CC=C2C(=C1)N=C3C=CC=C(C3=N2)C(=O)O,"InChI=1S/C13H8N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7H,(H,16,17)",JGCSKOVQDXEQHI-UHFFFAOYSA-N,C13H8N2O2,224.21,224.0585775,2.2,63.1,308,0,1,4,1,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAKIS(4-AMINOPHENYL)METHANE,060532-63-0,11825069,4-[tris(4-aminophenyl)methyl]aniline,C1=CC(=CC=C1C(C2=CC=C(C=C2)N)(C3=CC=C(C=C3)N)C4=CC=C(C=C4)N)N,"InChI=1S/C25H24N4/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20/h1-16H,26-29H2",LNHGLSRCOBIHNV-UHFFFAOYSA-N,C25H24N4,380.5,380.2000968,4.2,104,397,0,4,4,4,29,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
TETRAKIS(4-BROMOPHENYL)METHANE,105309-59-9,11250692,1-bromo-4-[tris(4-bromophenyl)methyl]benzene,C1=CC(=CC=C1C(C2=CC=C(C=C2)Br)(C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Br,"InChI=1S/C25H16Br4/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20/h1-16H",YBGIIZGNEOJSRF-UHFFFAOYSA-N,C25H16Br4,636,635.79445,9.7,0,397,0,0,0,4,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENAMINE, 4-(TRIPHENYLMETHYL)-",022948-06-7,89914,4-tritylaniline,C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)N,"InChI=1S/C25H21N/c26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19H,26H2",XYHDHXBLSLSXSR-UHFFFAOYSA-N,C25H21N,335.4,335.1673997,6.3,26,358,0,1,1,4,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAPHENYLMETHANE,000630-76-2,12424,tritylbenzene,C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C25H20/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H",PEQHIRFAKIASBK-UHFFFAOYSA-N,C25H20,320.4,320.1565006,7,0,295,0,0,0,4,25,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
9(10H)-ACRIDONE,000578-95-0,2015,10H-acridin-9-one,C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2,"InChI=1S/C13H9NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1-8H,(H,14,15)",FZEYVTFCMJSGMP-UHFFFAOYSA-N,C13H9NO,195.22,195.0684139,3,29.1,239,0,1,2,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-AMINOACRIDONE,027918-14-5,121965,2-amino-10H-acridin-9-one,C1=CC=C2C(=C1)C(=O)C3=C(N2)C=CC(=C3)N,"InChI=1S/C13H10N2O/c14-8-5-6-12-10(7-8)13(16)9-3-1-2-4-11(9)15-12/h1-7H,14H2,(H,15,16)",PIGCSKVALLVWKU-UHFFFAOYSA-N,C13H10N2O,210.23,210.0793129,2.3,55.1,292,0,2,3,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4',6-DIAMIDINO-2-PHENYLINDOLE DIHYDROCHLORIDE HYDRATE",028718-90-3,160166,2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide;dihydrochloride,C1=CC(=CC=C1C2=CC3=C(N2)C=C(C=C3)C(=N)N)C(=N)N.Cl.Cl,"InChI=1S/C16H15N5.2ClH/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13;;/h1-8,21H,(H3,17,18)(H3,19,20);2*1H",FPNZBYLXNYPRLR-UHFFFAOYSA-N,C16H17Cl2N5,350.2,349.086101,,116,413,0,7,2,3,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,1
"1H-INDOLE, 1-METHYL-2-PHENYL-",003558-24-5,77095,1-methyl-2-phenylindole,CN1C2=CC=CC=C2C=C1C3=CC=CC=C3,"InChI=1S/C15H13N/c1-16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12/h2-11H,1H3",SFWZZSXCWQTORH-UHFFFAOYSA-N,C15H13N,207.27,207.1047994,4.1,4.9,232,0,0,0,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indole, 5-methyl-2-phenyl-",13228-36-9,83247,5-methyl-2-phenyl-1H-indole,CC1=CC2=C(C=C1)NC(=C2)C3=CC=CC=C3,"InChI=1S/C15H13N/c1-11-7-8-14-13(9-11)10-15(16-14)12-5-3-2-4-6-12/h2-10,16H,1H3",JPFTUUXPCFNLIX-UHFFFAOYSA-N,C15H13N,207.27,207.1047994,4.1,15.8,232,0,1,0,1,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-INDOLE-3-CARBOXALDEHYDE, 1-METHYL-2-PHENYL-",001757-72-8,74468,1-methyl-2-phenylindole-3-carbaldehyde,CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C=O,"InChI=1S/C16H13NO/c1-17-15-10-6-5-9-13(15)14(11-18)16(17)12-7-3-2-4-8-12/h2-11H,1H3",YJOWMBICANYBLV-UHFFFAOYSA-N,C16H13NO,235.28,235.099714,3.1,22,297,0,0,1,2,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-INDOLE, 2-PHENYL-",000948-65-2,13698,2-phenyl-1H-indole,C1=CC=C(C=C1)C2=CC3=CC=CC=C3N2,"InChI=1S/C14H11N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-10,15H",KLLLJCACIRKBDT-UHFFFAOYSA-N,C14H11N,193.24,193.0891494,3.8,15.8,207,0,1,0,1,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-threo-alpha-D-galacto-Octapyranoside, methyl 7-chloro-6,7,8-trideoxy-6-(((1-",024729-96-2,443385,"[(2R,3R,4S,5R,6R)-6-[(1S,2S)-2-chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] dihydrogen phosphate",CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)OP(=O)(O)O)O)O)[C@H](C)Cl,"InChI=1S/C18H34ClN2O8PS/c1-5-6-10-7-11(21(3)8-10)17(24)20-12(9(2)19)15-13(22)14(23)16(18(28-15)31-4)29-30(25,26)27/h9-16,18,22-23H,5-8H2,1-4H3,(H,20,24)(H2,25,26,27)/t9-,10+,11-,12+,13+,14-,15+,16+,18+/m0/s1",UFUVLHLTWXBHGZ-MGZQPHGTSA-N,C18H34ClN2O8PS,505,504.1462019,-1.2,174,658,0,5,10,9,31,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
LINCOMYCIN HYDROCHLORIDE,000859-18-7,64710,"(2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide;hydrochloride",CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O.Cl,"InChI=1S/C18H34N2O6S.ClH/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25);1H/t9-,10-,11+,12-,13+,14-,15-,16-,18-;/m1./s1",POUMFISTNHIPTI-BOMBIWCESA-N,C18H35ClN2O6S,443,442.1904357,,148,498,0,6,8,7,28,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
CLINDAMYCIN PALMITATE HYDROCHLORIDE,025507-04-4,16052038,"[(2R,3R,4S,5R,6R)-6-[(1S,2S)-2-chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] hexadecanoate;hydrochloride",CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1SC)[C@@H]([C@H](C)Cl)NC(=O)[C@@H]2C[C@H](CN2C)CCC)O)O.Cl,"InChI=1S/C34H63ClN2O6S.ClH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-27(38)42-32-30(40)29(39)31(43-34(32)44-5)28(24(3)35)36-33(41)26-22-25(20-7-2)23-37(26)4;/h24-26,28-32,34,39-40H,6-23H2,1-5H3,(H,36,41);1H/t24-,25+,26-,28+,29+,30-,31+,32+,34+;/m0./s1",GTNDZRUWKHDICY-DJHAJVGHSA-N,C34H64Cl2N2O6S,699.9,698.3862143,,134,810,0,4,8,23,45,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-threo-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-(1-methyl-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-, trans-alpha-",18323-44-9,446598,"(2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide",CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl,"InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9-,10+,11-,12+,13-,14+,15+,16+,18+/m0/s1",KDLRVYVGXIQJDK-AWPVFWJPSA-N,C18H33ClN2O5S,425,424.179871,2.2,128,502,0,4,7,7,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"2H-1,4-BENZOXAZINE, 3,4-DIHYDRO-3-METHYL-",032329-20-7,2763760,"3-methyl-3,4-dihydro-2H-1,4-benzoxazine",CC1COC2=CC=CC=C2N1,"InChI=1S/C9H11NO/c1-7-6-11-9-5-3-2-4-8(9)10-7/h2-5,7,10H,6H2,1H3",BSDVKBWLRCKPFB-UHFFFAOYSA-N,C9H11NO,149.19,149.084064,2.1,21.3,138,0,1,2,0,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-1,4-Benzoxazine-2-carboxamide, 3,4-dihydro-",13582-93-9,26120,"3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide",C1C(OC2=CC=CC=C2N1)C(=O)N,"InChI=1S/C9H10N2O2/c10-9(12)8-5-11-6-3-1-2-4-7(6)13-8/h1-4,8,11H,5H2,(H2,10,12)",HFMCIPVAQHTOPB-UHFFFAOYSA-N,C9H10N2O2,178.19,178.0742276,0.6,64.4,208,0,2,3,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1,4-Benzoxazin-6-ol, 3,4-dihydro-",26021-57-8,117709,"3,4-dihydro-2H-1,4-benzoxazin-6-ol",C1COC2=C(N1)C=C(C=C2)O,"InChI=1S/C8H9NO2/c10-6-1-2-8-7(5-6)9-3-4-11-8/h1-2,5,9-10H,3-4H2",HWWIVWKTKZAORO-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,1.3,41.5,140,0,2,3,0,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2H-1,4-Benzoxazine, 4-(dichloroacetyl)-3,4-dihydro-3-methyl-, (+-)-",98730-04-2,62306,"2,2-dichloro-1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone",CC1COC2=CC=CC=C2N1C(=O)C(Cl)Cl,"InChI=1S/C11H11Cl2NO2/c1-7-6-16-9-5-3-2-4-8(9)14(7)11(15)10(12)13/h2-5,7,10H,6H2,1H3",PFJJMJDEVDLPNE-UHFFFAOYSA-N,C11H11Cl2NO2,260.11,259.016684,2.8,29.5,273,0,0,2,1,16,,,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
TRIMETHOPRIM NAPHTHOATE,000738-70-5,5578,"5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine",COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N,"InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)",IEDVJHCEMCRBQM-UHFFFAOYSA-N,C14H18N4O3,290.32,290.1378905,0.9,106,307,0,2,7,5,21,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"2,4-Pyrimidinediamine, 5-((3,4-dimethoxyphenyl)methyl)-",5355-16-8,21453,"5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine",COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OC,"InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)",LDBTVAXGKYIFHO-UHFFFAOYSA-N,C13H16N4O2,260.29,260.1273258,1,96.3,279,0,2,6,4,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-Pyrimidinediamine, 5-((4,5-dimethoxy-2-methylphenyl)methyl)-",6981-18-6,23418,"5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine",CC1=CC(=C(C=C1CC2=CN=C(N=C2N)N)OC)OC,"InChI=1S/C14H18N4O2/c1-8-4-11(19-2)12(20-3)6-9(8)5-10-7-17-14(16)18-13(10)15/h4,6-7H,5H2,1-3H3,(H4,15,16,17,18)",KEEYRKYKLYARHO-UHFFFAOYSA-N,C14H18N4O2,274.32,274.1429758,1.2,96.3,305,0,2,6,4,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ALPHA-(1-METHYLETHYL)-ALPHA-(4-(TRIFLUOROMETHOXY)PHENYL)-5-PYRIMIDINEMETHANOL,056425-91-3,73668,2-methyl-1-pyrimidin-5-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol,CC(C)C(C1=CC=C(C=C1)OC(F)(F)F)(C2=CN=CN=C2)O,"InChI=1S/C15H15F3N2O2/c1-10(2)14(21,12-7-19-9-20-8-12)11-3-5-13(6-4-11)22-15(16,17)18/h3-10,21H,1-2H3",VEVZCONIUDBCDC-UHFFFAOYSA-N,C15H15F3N2O2,312.29,312.1085622,3.3,55.2,351,0,1,7,4,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,4-Pyrimidinediamine, 5-((3-methoxyphenyl)methyl)-",59481-28-6,101067,"5-[(3-methoxyphenyl)methyl]pyrimidine-2,4-diamine",COC1=CC=CC(=C1)CC2=CN=C(N=C2N)N,"InChI=1S/C12H14N4O/c1-17-10-4-2-3-8(6-10)5-9-7-15-12(14)16-11(9)13/h2-4,6-7H,5H2,1H3,(H4,13,14,15,16)",VJSZGADWCZOKOK-UHFFFAOYSA-N,C12H14N4O,230.27,230.1167611,1.5,87.1,239,0,2,5,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SPECTINOMYCIN,064058-48-6,64770,"sulfuric acid;(1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one;tetrahydrate",C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O.O.O.O.O.OS(=O)(=O)O,"InChI=1S/C14H24N2O7.H2O4S.4H2O/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;1-5(2,3)4;;;;/h5,7-13,15-16,18-20H,4H2,1-3H3;(H2,1,2,3,4);4*1H2/t5-,7-,8+,9+,10+,11-,12-,13+,14+;;;;;/m1...../s1",OBZDRKHRQYPQDZ-SACNDDTHSA-N,C14H34N2O15S,502.5,502.1679896,,216,559,0,11,17,2,32,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
SPECTINOMYCIN SULFATE,023312-56-3,64771,"sulfuric acid;(1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one",C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O.OS(=O)(=O)O,"InChI=1S/C14H24N2O7.H2O4S/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;1-5(2,3)4/h5,7-13,15-16,18-20H,4H2,1-3H3;(H2,1,2,3,4)/t5-,7-,8+,9+,10+,11-,12-,13+,14+;/m1./s1",XGBFWQUQYQIFLB-MTTMTQIXSA-N,C14H26N2O11S,430.43,430.1257308,,212,559,0,7,13,2,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
SPECTINOMYCIN DIHYDROCHLORIDE PENTAHYDRATE,022189-32-8,30971,"(1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one;pentahydrate;dihydrochloride",C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O.O.O.O.O.O.Cl.Cl,"InChI=1S/C14H24N2O7.2ClH.5H2O/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;;;;;;;/h5,7-13,15-16,18-20H,4H2,1-3H3;2*1H;5*1H2/t5-,7-,8+,9+,10+,11-,12-,13+,14+;;;;;;;/m1......./s1",DCHJOVNPPSBWHK-UXXUFHFZSA-N,C14H36Cl2N2O12,495.3,494.16453,,135,478,0,12,14,2,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SPECTINOMYCIN DIHYDROCHLORIDE,021736-83-4,64740,"(1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one;dihydrochloride",C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O.Cl.Cl,"InChI=1S/C14H24N2O7.2ClH/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;;/h5,7-13,15-16,18-20H,4H2,1-3H3;2*1H/t5-,7-,8+,9+,10+,11-,12-,13+,14+;;/m1../s1",FOGDPGQSHLLYIK-XYQGXRRISA-N,C14H26Cl2N2O7,405.3,404.1117066,,130,478,0,7,9,2,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-",1695-77-8,15541,"(1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one",C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O,"InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1",UNFWWIHTNXNPBV-WXKVUWSESA-N,C14H24N2O7,332.35,332.1583511,-3.1,130,478,0,5,9,2,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TRANS,TRANS,TRANS-1,5,9-CYCLODODECATRIENE",000676-22-2,638081,"(1E,5E,9E)-cyclododeca-1,5,9-triene",C1/C=C/CC/C=C/CC/C=C/C1,"InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1+,9-7+,10-8+",ZOLLIQAKMYWTBR-FFWAUJBHSA-N,C12H18,162.27,162.1408506,4.5,0,121,0,0,0,0,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,5,9-CYCLODODECATRIENE, 1,5,9-TRIMETHYL-",021064-19-7,5365777,"(1Z,5Z,9Z)-1,5,9-trimethylcyclododeca-1,5,9-triene",C/C/1=C/CC/C(=C\CC/C(=C\CC1)/C)/C,"InChI=1S/C15H24/c1-13-7-4-9-14(2)11-6-12-15(3)10-5-8-13/h7,10-11H,4-6,8-9,12H2,1-3H3/b13-7-,14-11-,15-10-",XOTMHDVYZZBKEJ-PEFAHGPYSA-N,C15H24,204.35,204.1878008,3.9,0,229,0,0,0,0,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,5,9-CYCLODODECATRIENE, (E,E,Z)-",000706-31-0,6262774,"(1Z,5E,9E)-cyclododeca-1,5,9-triene",C1/C=C/CC/C=C\CC/C=C/C1,"InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1-,9-7+,10-8+",ZOLLIQAKMYWTBR-RYMQXAEESA-N,C12H18,162.27,162.1408506,4.5,0,121,0,0,0,0,12,,,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,5,9-CYCLODODECATRIENE",004904-61-4,12668,"cyclododeca-1,5,9-triene",C1CC=CCCC=CCCC=C1,"InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2",ZOLLIQAKMYWTBR-UHFFFAOYSA-N,C12H18,162.27,162.1408506,4.5,0,121,0,0,0,0,12,"160 °F (USCG, 1999)","447.8 °F at 760 mmHg (USCG, 1999)",1,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
5-CHLORODIBENZOSUBERANE,001210-33-9,14587,"2-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene",C1CC2=CC=CC=C2C(C3=CC=CC=C31)Cl,"InChI=1S/C15H13Cl/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15H,9-10H2",QPERNSDCEUTOTE-UHFFFAOYSA-N,C15H13Cl,228.71,228.0705781,4.3,0,214,0,0,0,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"5H-Dibenzo(a,d)cyclohepten-5-ol, 10,11-dihydro-5-(3-dimethylaminopropyl)-",1159-03-1,14390,"2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol",CN(C)CCCC1(C2=CC=CC=C2CCC3=CC=CC=C31)O,"InChI=1S/C20H25NO/c1-21(2)15-7-14-20(22)18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20/h3-6,8-11,22H,7,12-15H2,1-2H3",ONSQUXZPOPTSQF-UHFFFAOYSA-N,C20H25NO,295.4,295.1936144,3.6,23.5,330,0,1,2,4,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"5H-Dibenzo(a,d)cyclohepten-5-ol, 10,11-dihydro-",1210-34-0,14588,"tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol",C1CC2=CC=CC=C2C(C3=CC=CC=C31)O,"InChI=1S/C15H14O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2",POAVRNPUPPJLKZ-UHFFFAOYSA-N,C15H14O,210.27,210.1044651,3,20.2,214,0,1,1,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"5H-Dibenzo(a,d)cycloheptene-5-carboxamide, 10,11-dihydro-",7199-29-3,23603,"tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide",C1CC2=CC=CC=C2C(C3=CC=CC=C31)C(=O)N,"InChI=1S/C16H15NO/c17-16(18)15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H2,17,18)",APBVLLORZMAWKI-UHFFFAOYSA-N,C16H15NO,237.3,237.1153641,2.4,43.1,290,0,1,1,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5H-Dibenzo(a,d)cycloheptene-5-methylamine, 10,11-dihydro-",7351-49-7,202041,"2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethanamine",C1CC2=CC=CC=C2C(C3=CC=CC=C31)CN,"InChI=1S/C16H17N/c17-11-16-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)16/h1-8,16H,9-11,17H2",YJCNPACNIAQKNY-UHFFFAOYSA-N,C16H17N,223.31,223.1360995,3,26,226,0,1,1,1,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NDSB-221,160788-56-7,10130697,3-(1-methylpiperidin-1-ium-1-yl)propane-1-sulfonate,C[N+]1(CCCCC1)CCCS(=O)(=O)[O-],"InChI=1S/C9H19NO3S/c1-10(6-3-2-4-7-10)8-5-9-14(11,12)13/h2-9H2,1H3",DQNQWAVIDNVATL-UHFFFAOYSA-N,C9H19NO3S,221.32,221.1085646,0.3,65.6,249,0,0,3,3,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Piperidinium, 1,1-dimethyl-, iodide",8/2/33,18742,"1,1-dimethylpiperidin-1-ium iodide",C[N+]1(CCCCC1)C.[I-],"InChI=1S/C7H16N.HI/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1",HSQOPVUSHBNOOL-UHFFFAOYSA-M,C7H16IN,241.11,241.03275,,0,68,0,0,1,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Piperidinium, 1-ethyl-1-methyl-, iodide",4186-71-4,20153,1-ethyl-1-methylpiperidin-1-ium iodide,CC[N+]1(CCCCC1)C.[I-],"InChI=1S/C8H18N.HI/c1-3-9(2)7-5-4-6-8-9;/h3-8H2,1-2H3;1H/q+1;/p-1",RWPRNPXSHGRVPR-UHFFFAOYSA-M,C8H18IN,255.14,255.0484,,0,82,0,0,1,1,10,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperidinium, 1,1-dimethyl-, chloride",24307-26-4,62781,"1,1-dimethylpiperidin-1-ium chloride",C[N+]1(CCCCC1)C.[Cl-],"InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1",VHOVSQVSAAQANU-UHFFFAOYSA-M,C7H16ClN,149.66,149.0971272,,0,68,0,0,1,0,9,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperidinium, 4-((hydroxy(octadecyloxy)phosphinyl)oxy)-1,1-dimethyl-, inner salt",157716-52-4,148177,"(1,1-dimethylpiperidin-1-ium-4-yl) octadecyl phosphate",CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](CC1)(C)C,"InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3",SZFPYBIJACMNJV-UHFFFAOYSA-N,C25H52NO4P,461.7,461.3633961,8.3,58.6,454,0,0,4,20,31,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,1,0
"3,3'-DIHEPTYLOXACARBOCYANINE",053213-83-5,57369735,"3-heptyl-2-[3-(3-heptyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole iodide",CCCCCCCN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4O3)CCCCCCC.[I-],"InChI=1S/C31H41N2O2.HI/c1-3-5-7-9-15-24-32-26-18-11-13-20-28(26)34-30(32)22-17-23-31-33(25-16-10-8-6-4-2)27-19-12-14-21-29(27)35-31;/h11-14,17-23H,3-10,15-16,24-25H2,1-2H3;1H/q+1;/p-1",ANJZLSIIEGUCQL-UHFFFAOYSA-M,C31H41IN2O2,600.6,600.22128,,29.5,608,0,0,4,14,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"3,3'-DIOCTADECYLOXACARBOCYANINE PERCHLORATE",034215-57-1,5706734,"(2Z)-3-octadecyl-2-[(E)-3-(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole perchlorate",CCCCCCCCCCCCCCCCCCN\1C2=CC=CC=C2O/C1=C\C=C\C3=[N+](C4=CC=CC=C4O3)CCCCCCCCCCCCCCCCCC.[O-]Cl(=O)(=O)=O,"InChI=1S/C53H85N2O2.ClHO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-46-54-48-40-33-35-42-50(48)56-52(54)44-39-45-53-55(49-41-34-36-43-51(49)57-53)47-38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2-1(3,4)5/h33-36,39-45H,3-32,37-38,46-47H2,1-2H3;(H,2,3,4,5)/q+1;/p-1",GFZPJHFJZGRWMQ-UHFFFAOYSA-M,C53H85ClN2O6,881.7,880.6096161,,104,1020,0,0,7,36,62,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3'-DIETHYLOXACARBOCYANINE IODIDE",000905-96-4,6538326,"(2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole iodide",CCN\1C2=CC=CC=C2O/C1=C\C=C\C3=[N+](C4=CC=CC=C4O3)CC.[I-],"InChI=1S/C21H21N2O2.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1",FIZZUEJIOKEFFZ-UHFFFAOYSA-M,C21H21IN2O2,460.3,460.06478,,29.5,474,0,0,4,4,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3'-DIHEXYLOXACARBOCYANINE IODIDE",053213-82-4,5702702,"(2Z)-3-hexyl-2-[(E)-3-(3-hexyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole iodide",CCCCCCN\1C2=CC=CC=C2O/C1=C\C=C\C3=[N+](C4=CC=CC=C4O3)CCCCCC.[I-],"InChI=1S/C29H37N2O2.HI/c1-3-5-7-13-22-30-24-16-9-11-18-26(24)32-28(30)20-15-21-29-31(23-14-8-6-4-2)25-17-10-12-19-27(25)33-29;/h9-12,15-21H,3-8,13-14,22-23H2,1-2H3;1H/q+1;/p-1",XVLXYDXJEKLXHN-UHFFFAOYSA-M,C29H37IN2O2,572.5,572.18998,,29.5,581,0,0,4,12,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
QUINAZOLINE,000253-82-7,9210,quinazoline,C1=CC=C2C(=C1)C=NC=N2,InChI=1S/C8H6N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6H,JWVCLYRUEFBMGU-UHFFFAOYSA-N,C8H6N2,130.15,130.0530982,1,25.8,114,0,0,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinazoline, 4-amino-",15018-66-3,84759,quinazolin-4-amine,C1=CC=C2C(=C1)C(=NC=N2)N,"InChI=1S/C8H7N3/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H,(H2,9,10,11)",DRYRBWIFRVMRPV-UHFFFAOYSA-N,C8H7N3,145.16,145.0639972,1.3,51.8,137,0,1,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-Quinazolinediamine, 5-chloro-",17511-21-6,205130,"5-chloroquinazoline-2,4-diamine",C1=CC2=C(C(=C1)Cl)C(=NC(=N2)N)N,"InChI=1S/C8H7ClN4/c9-4-2-1-3-5-6(4)7(10)13-8(11)12-5/h1-3H,(H4,10,11,12,13)",VEVDQDKAMWPQSF-UHFFFAOYSA-N,C8H7ClN4,194.62,194.0359239,1.5,77.8,189,0,2,4,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6-Quinazolinecarboxylic acid, 3,4-dihydro-3-(2-methylphenyl)-4-oxo-2,5,7-trimethyl-,ethyl ester",75913-02-9,23130441,quinazoline-6-carboxylic acid,C1=CC2=NC=NC=C2C=C1C(=O)O,"InChI=1S/C9H6N2O2/c12-9(13)6-1-2-8-7(3-6)4-10-5-11-8/h1-5H,(H,12,13)",WWABBFPTGJZEDN-UHFFFAOYSA-N,C9H6N2O2,174.16,174.0429274,0.5,63.1,208,0,1,4,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-Quinazolinediamine, 5-fluoro-",119584-70-2,456246,"5-fluoroquinazoline-2,4-diamine",C1=CC2=C(C(=C1)F)C(=NC(=N2)N)N,"InChI=1S/C8H7FN4/c9-4-2-1-3-5-6(4)7(10)13-8(11)12-5/h1-3H,(H4,10,11,12,13)",ZFIDHZVBIBPRBQ-UHFFFAOYSA-N,C8H7FN4,178.17,178.0654744,0.9,77.8,189,0,2,5,0,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,5-TRIPHENYLBENZENE",000612-71-5,11930,"1,3,5-triphenylbenzene",C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC=CC=C3)C4=CC=CC=C4,InChI=1S/C24H18/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-18H,SXWIAEOZZQADEY-UHFFFAOYSA-N,C24H18,306.4,306.1408506,6.8,0,285,0,0,0,3,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,5-TRIS(4-AMINOPHENYL)BENZENE",118727-34-7,12058813,"4-[3,5-bis(4-aminophenyl)phenyl]aniline",C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)N)C4=CC=C(C=C4)N)N,"InChI=1S/C24H21N3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18/h1-15H,25-27H2",QHQSCKLPDVSEBJ-UHFFFAOYSA-N,C24H21N3,351.4,351.1735477,3.9,78.1,364,0,3,3,3,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,5-TRIS(P-FORMYLPHENYL)BENZENE",118688-53-2,24756333,"4-[3,5-bis(4-formylphenyl)phenyl]benzaldehyde",C1=CC(=CC=C1C=O)C2=CC(=CC(=C2)C3=CC=C(C=C3)C=O)C4=CC=C(C=C4)C=O,InChI=1S/C27H18O3/c28-16-19-1-7-22(8-2-19)25-13-26(23-9-3-20(17-29)4-10-23)15-27(14-25)24-11-5-21(18-30)6-12-24/h1-18H,ZCJZVMNBJKPQEV-UHFFFAOYSA-N,C27H18O3,390.4,390.1255944,5.2,51.2,470,0,0,3,6,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,5-TRIS(4-BROMOPHENYL)BENZENE",007511-49-1,232761,"1,3,5-tris(4-bromophenyl)benzene",C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Br,InChI=1S/C24H15Br3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18/h1-15H,HJQRITCAXSBOPC-UHFFFAOYSA-N,C24H15Br3,543.1,541.87034,9.7,0,364,0,0,0,3,27,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,5-TRI(4-CARBOXYPHENYL)BENZENE",050446-44-1,10694305,"4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid",C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O)C(=O)O,"InChI=1S/C27H18O6/c28-25(29)19-7-1-16(2-8-19)22-13-23(17-3-9-20(10-4-17)26(30)31)15-24(14-22)18-5-11-21(12-6-18)27(32)33/h1-15H,(H,28,29)(H,30,31)(H,32,33)",SATWKVZGMWCXOJ-UHFFFAOYSA-N,C27H18O6,438.4,438.1103383,5.4,112,588,0,3,6,6,33,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DIHYDROURACIL,000504-07-4,649,"1,3-diazinane-2,4-dione",C1CNC(=O)NC1=O,"InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)",OIVLITBTBDPEFK-UHFFFAOYSA-N,C4H6N2O2,114.1,114.0429274,-1.1,58.2,132,0,2,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5,6-Dihydrothymine",000696-04-8,93556,"5-methyl-1,3-diazinane-2,4-dione",CC1CNC(=O)NC1=O,"InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)",NBAKTGXDIBVZOO-UHFFFAOYSA-N,C5H8N2O2,128.13,128.0585775,-0.6,58.2,155,0,2,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
D-HYDROOROTIC ACID,005988-53-4,1149667,"(4R)-2,6-dioxo-1,3-diazinane-4-carboxylic acid",C1[C@@H](NC(=O)NC1=O)C(=O)O,"InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m1/s1",UFIVEPVSAGBUSI-UWTATZPHSA-N,C5H6N2O4,158.11,158.0327567,-1.5,95.5,225,0,3,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thymine, 5,6-dihydro-1-nitroso-",62641-67-2,124937,"5-methyl-1-nitroso-1,3-diazinane-2,4-dione",CC1CN(C(=O)NC1=O)N=O,"InChI=1S/C5H7N3O3/c1-3-2-8(7-11)5(10)6-4(3)9/h3H,2H2,1H3,(H,6,9,10)",VHNPZOQVSSWOJZ-UHFFFAOYSA-N,C5H7N3O3,157.13,157.0487411,-0.7,78.8,215,0,1,4,0,11,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,1,0
"2,4,6-TRIPHENYL-1,3,5-TRIAZINE",000493-77-6,10305,"2,4,6-triphenyl-1,3,5-triazine",C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4,InChI=1S/C21H15N3/c1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h1-15H,HBQUOLGAXBYZGR-UHFFFAOYSA-N,C21H15N3,309.4,309.1265975,5,38.7,298,0,0,3,3,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,6-TRIS(4-BROMOPHENYL)-1,3,5-TRIAZINE",030363-03-2,35224,"2,4,6-tris(4-bromophenyl)-1,3,5-triazine",C1=CC(=CC=C1C2=NC(=NC(=N2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Br,InChI=1S/C21H12Br3N3/c22-16-7-1-13(2-8-16)19-25-20(14-3-9-17(23)10-4-14)27-21(26-19)15-5-11-18(24)12-6-15/h1-12H,WZYVDGDZBNQVCF-UHFFFAOYSA-N,C21H12Br3N3,546.1,544.85609,7,38.7,377,0,0,3,3,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BENZENEDIOL, 4-[4,6-BIS(2,4-DIMETHYLPHENYL)-1,3,5-TRIAZIN-2-YL]-",001668-53-7,74276,"4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol",CC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=C(C=C(C=C3)O)O)C4=C(C=C(C=C4)C)C)C,"InChI=1S/C25H23N3O2/c1-14-5-8-19(16(3)11-14)23-26-24(20-9-6-15(2)12-17(20)4)28-25(27-23)21-10-7-18(29)13-22(21)30/h5-13,29-30H,1-4H3",FROCQMFXPIROOK-UHFFFAOYSA-N,C25H23N3O2,397.5,397.179027,5.7,79.1,527,0,2,5,3,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4,4',4''-(1,3,5-TRIAZINE-2,4,6-TRIYL)TRIANILINE",014544-47-9,1515256,"4-[4,6-bis(4-aminophenyl)-1,3,5-triazin-2-yl]aniline",C1=CC(=CC=C1C2=NC(=NC(=N2)C3=CC=C(C=C3)N)C4=CC=C(C=C4)N)N,"InChI=1S/C21H18N6/c22-16-7-1-13(2-8-16)19-25-20(14-3-9-17(23)10-4-14)27-21(26-19)15-5-11-18(24)12-6-15/h1-12H,22-24H2",WHSQATVVMVBGNS-UHFFFAOYSA-N,C21H18N6,354.4,354.1592946,2.9,117,371,0,3,6,3,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2-[4,6-BIS(2,4-DIMETHYLPHENYL)-1,3,5-TRIAZIN-2-YL]-5-(OCTYLOXY)-",002725-22-6,135414248,"2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol",CCCCCCCCOC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=C(C=C(C=C3)C)C)C4=C(C=C(C=C4)C)C)O,"InChI=1S/C33H39N3O2/c1-6-7-8-9-10-11-18-38-26-14-17-29(30(37)21-26)33-35-31(27-15-12-22(2)19-24(27)4)34-32(36-33)28-16-13-23(3)20-25(28)5/h12-17,19-21,37H,6-11,18H2,1-5H3",ZSSVCEUEVMALRD-UHFFFAOYSA-N,C33H39N3O2,509.7,509.3042275,9.5,68.1,643,0,1,5,11,38,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,3,4-TETRAHYDRO-9H-PYRIDO(3,4-B)INDOLE",016502-01-5,107838,"2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole",C1CNCC2=C1C3=CC=CC=C3N2,"InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2",CFTOTSJVQRFXOF-UHFFFAOYSA-N,C11H12N2,172.23,172.1000484,1.5,27.8,193,0,2,1,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-1-methyl-",10/7/06,91522,"1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole",CC1C2=C(CCN1)C3=CC=CC=C3N2,"InChI=1S/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,8,13-14H,6-7H2,1H3",LPIJOZBIVDCQTE-UHFFFAOYSA-N,C12H14N2,186.25,186.1156985,1.9,27.8,216,0,2,1,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-6-methoxy-",20315-68-8,1868,"6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole",COC1=CC2=C(C=C1)NC3=C2CCNC3,"InChI=1S/C12H14N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3",QYMDEOQLJUUNOF-UHFFFAOYSA-N,C12H14N2O,202.25,202.1106131,1.5,37.1,234,0,2,2,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-, hydrochloride",58911-02-7,162870,"2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride",C1CNCC2=C1C3=CC=CC=C3N2.Cl,"InChI=1S/C11H12N2.ClH/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;/h1-4,12-13H,5-7H2;1H",PHLJRXUBLWEPCM-UHFFFAOYSA-N,C11H13ClN2,208.69,208.0767261,,27.8,193,0,3,1,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-(3,4-DIMETHOXYPHENYL)-2-(2-METHOXYPHENOXY)-1,3-PROPANEDIOL",010535-17-8,193461,"1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol",COC1=C(C=C(C=C1)C(C(CO)OC2=CC=CC=C2OC)O)OC,"InChI=1S/C18H22O6/c1-21-13-6-4-5-7-15(13)24-17(11-19)18(20)12-8-9-14(22-2)16(10-12)23-3/h4-10,17-20H,11H2,1-3H3",IEWUCQVFAWBYOC-UHFFFAOYSA-N,C18H22O6,334.4,334.1416384,2,77.4,352,0,2,6,8,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-(4-HYDROXY-3-METHOXYPHENYL)-2-(2-METHYOXYPHENOXY)-1,3-PROPANEDIOL",007382-59-4,6424189,"1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol",COC1=CC=CC=C1OC(CO)C(C2=CC(=C(C=C2)O)OC)O,"InChI=1S/C17H20O6/c1-21-13-5-3-4-6-14(13)23-16(10-18)17(20)11-7-8-12(19)15(9-11)22-2/h3-9,16-20H,10H2,1-2H3",PPZSOILKWHVNNS-UHFFFAOYSA-N,C17H20O6,320.3,320.1259884,1.7,88.4,339,0,3,6,7,23,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CALCIUM LIGNOSULFONATE,008061-52-7,24711,calcium 3-(2-hydroxy-3-methoxyphenyl)-2-[2-methoxy-4-(3-sulfonatopropyl)phenoxy]propane-1-sulfonate,COC1=CC=CC(=C1O)CC(CS(=O)(=O)[O-])OC2=C(C=C(C=C2)CCCS(=O)(=O)[O-])OC.[Ca+2],"InChI=1S/C20H26O10S2.Ca/c1-28-18-7-3-6-15(20(18)21)12-16(13-32(25,26)27)30-17-9-8-14(11-19(17)29-2)5-4-10-31(22,23)24;/h3,6-9,11,16,21H,4-5,10,12-13H2,1-2H3,(H,22,23,24)(H,25,26,27);/q;+2/p-2",RYAGRZNBULDMBW-UHFFFAOYSA-L,C20H24CaO10S2,528.6,528.0436802,,179,732,0,1,10,10,33,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenepropanoic acid, alpha-ethoxy-4-(2-(4-((methylsulfonyl)oxy)phenyl)ethoxy)-, (alpha-S)-",251565-85-2,208901,(2S)-2-ethoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]propanoic acid,CCO[C@@H](CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O,"InChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1",CXGTZJYQWSUFET-IBGZPJMESA-N,C20H24O7S,408.5,408.1242743,3.5,108,556,0,1,7,11,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phthalimide, N-(p-chlorophenyl)-",7386-21-2,81867,"2-(4-chlorophenyl)isoindole-1,3-dione",C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)Cl,InChI=1S/C14H8ClNO2/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8H,QKHKQJWODBAIMN-UHFFFAOYSA-N,C14H8ClNO2,257.67,257.0243562,3,37.4,339,0,0,2,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phthalimide, N-(p-bromophenyl)-",40101-31-3,101305,"2-(4-bromophenyl)isoindole-1,3-dione",C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)Br,InChI=1S/C14H8BrNO2/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8H,DNQCPYWSXMATIN-UHFFFAOYSA-N,C14H8BrNO2,302.12,300.97384,3.1,37.4,339,0,0,2,1,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Isoindole-1,3(2H)-dione, 2-(2,6-bis(1-methylethyl)phenyl)-5-hydroxy-",105624-86-0,11723708,"2-[2,6-di(propan-2-yl)phenyl]-5-hydroxyisoindole-1,3-dione",CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=O)C3=C(C2=O)C=C(C=C3)O,"InChI=1S/C20H21NO3/c1-11(2)14-6-5-7-15(12(3)4)18(14)21-19(23)16-9-8-13(22)10-17(16)20(21)24/h5-12,22H,1-4H3",LAKWINYVWJPHQW-UHFFFAOYSA-N,C20H21NO3,323.4,323.1521435,4.4,57.6,485,0,1,3,3,24,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Isoindole-1,3(2H)-dione, 2-(3-chlorophenyl)-",16082-71-6,504333,"2-(3-chlorophenyl)isoindole-1,3-dione",C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=CC=C3)Cl,InChI=1S/C14H8ClNO2/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)14(16)18/h1-8H,MIWPRIGNFUWKDN-UHFFFAOYSA-N,C14H8ClNO2,257.67,257.0243562,3,37.4,347,0,0,2,1,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"CHROMATE(2-), HYDROXY[3-HYDROXY-4-[(1-HYDROXY-8-SULFO-2-NAPHTHALENYL)AZO]-1-NA",006370-08-7,136496729,disodium;3-hydroxy-4-[(1-hydroxy-8-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-1-sulfonate,C1=CC=C2C(=C1)C(=CC(=C2N=NC3=C(C4=C(C=CC=C4S(=O)(=O)[O-])C=C3)O)O)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C20H14N2O8S2.2Na/c23-15-10-17(32(28,29)30)12-5-1-2-6-13(12)19(15)22-21-14-9-8-11-4-3-7-16(31(25,26)27)18(11)20(14)24;;/h1-10,23-24H,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",RHRVBRDPYXKXCY-UHFFFAOYSA-L,C20H12N2Na2O8S2,518.4,517.9830463,,196,886,0,2,10,2,34,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 4,5-DIHYDROXY-3-[(8-HYDROXY-3,6-DISULFO-1-NAPH",051550-25-5,103899,"tetrasodium;4,5-dihydroxy-3-[(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate",C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)[O-])N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])O)O)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C20H14N2O15S4.4Na/c23-14-6-11(39(29,30)31)2-8-1-10(38(26,27)28)5-13(17(8)14)21-22-19-16(41(35,36)37)4-9-3-12(40(32,33)34)7-15(24)18(9)20(19)25;;;;/h1-7,23-25H,(H,26,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37);;;;/q;4*+1/p-4",BYOASQSUNKYWNG-UHFFFAOYSA-J,C20H10N2Na4O15S4,738.5,737.8554794,,348,1390,0,3,17,2,45,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CHROMATE(1-), [3-HYDROXY-4-[(1-HYDROXY-8-SULFO-2-NAPHTHALENYL)AZO]-1-NAPHTHALE",070942-15-3,156053,sodium;chromium(3+);3-oxido-4-[(1-oxido-8-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-1-sulfonate,C1=CC=C2C(=C1)C(=CC(=C2N=NC3=C(C4=C(C=CC=C4S(=O)(=O)[O-])C=C3)[O-])[O-])S(=O)(=O)[O-].[Na+].[Cr+3],"InChI=1S/C20H14N2O8S2.Cr.Na/c23-15-10-17(32(28,29)30)12-5-1-2-6-13(12)19(15)22-21-14-9-8-11-4-3-7-16(31(25,26)27)18(11)20(14)24;;/h1-10,23-24H,(H,25,26,27)(H,28,29,30);;/q;+3;+1/p-4",FZEAZTGOZSYASU-UHFFFAOYSA-J,C20H10CrN2NaO8S2,545.4,544.918132,,202,886,0,0,10,2,34,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-HYDROXY-4-[(1-HYDROXY-2-NAPHTHALENYL)AZO]-1-NAPHTHALENESULFONIC ACID, MONOSODIUM SALT",003564-14-5,135465071,sodium 3-hydroxy-4-[(1-hydroxynaphthalen-2-yl)diazenyl]naphthalene-1-sulfonate,C1=CC=C2C(=C1)C=CC(=C2O)N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)[O-])O.[Na+],"InChI=1S/C20H14N2O5S.Na/c23-17-11-18(28(25,26)27)14-7-3-4-8-15(14)19(17)22-21-16-10-9-12-5-1-2-6-13(12)20(16)24;/h1-11,23-24H,(H,25,26,27);/q;+1/p-1",HOWITLLZNKSJOJ-UHFFFAOYSA-M,C20H13N2NaO5S,416.4,416.044287,,131,685,0,2,7,3,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-NAPHTHALENESULFONIC ACID, 3-HYDROXY-4-[(1-HYDROXY-2-NAPHTHALENYL)AZO]-7-NITR",025747-08-4,3246023,3-hydroxy-4-[(1-hydroxynaphthalen-2-yl)diazenyl]-7-nitronaphthalene-1-sulfonic acid,C1=CC=C2C(=C1)C=CC(=C2O)N=NC3=C4C=CC(=CC4=C(C=C3O)S(=O)(=O)O)[N+](=O)[O-],"InChI=1S/C20H13N3O7S/c24-17-10-18(31(28,29)30)15-9-12(23(26)27)6-7-14(15)19(17)22-21-16-8-5-11-3-1-2-4-13(11)20(16)25/h1-10,24-25H,(H,28,29,30)",GDHWAXDSTKHEAZ-UHFFFAOYSA-N,C20H13N3O7S,439.4,439.0474209,4.1,174,796,0,3,9,3,31,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHOROUS ACID, 2-ETHYLHEXYL DIPHENYL ESTER",015647-08-2,85888,2-ethylhexyl diphenyl phosphite,CCCCC(CC)COP(OC1=CC=CC=C1)OC2=CC=CC=C2,"InChI=1S/C20H27O3P/c1-3-5-12-18(4-2)17-21-24(22-19-13-8-6-9-14-19)23-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3",XKZGIJICHCVXFV-UHFFFAOYSA-N,C20H27O3P,346.4,346.1697817,6.8,27.7,281,0,0,3,11,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHOROUS ACID, DIPHENYL TRIDECYL ESTER",060628-17-3,108980,diphenyl tridecyl phosphite,CCCCCCCCCCCCCOP(OC1=CC=CC=C1)OC2=CC=CC=C2,"InChI=1S/C25H37O3P/c1-2-3-4-5-6-7-8-9-10-11-18-23-26-29(27-24-19-14-12-15-20-24)28-25-21-16-13-17-22-25/h12-17,19-22H,2-11,18,23H2,1H3",OGVJEUDMQQIAPV-UHFFFAOYSA-N,C25H37O3P,416.5,416.248032,9.8,27.7,334,0,0,3,17,29,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHOROUS ACID, ISODECYL DIPHENYL ESTER",026544-23-0,9951488,8-methylnonyl diphenyl phosphite,CC(C)CCCCCCCOP(OC1=CC=CC=C1)OC2=CC=CC=C2,"InChI=1S/C22H31O3P/c1-20(2)14-8-4-3-5-13-19-23-26(24-21-15-9-6-10-16-21)25-22-17-11-7-12-18-22/h6-7,9-12,15-18,20H,3-5,8,13-14,19H2,1-2H3",ADRNSOYXKABLGT-UHFFFAOYSA-N,C22H31O3P,374.5,374.2010818,7.9,27.7,305,0,0,3,13,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
"PHOSPHOROUS ACID, BIS[2,4-BIS(1,1-DIMETHYLETHYL)-6-METHYLPHENYL] ETHYL ESTER",145650-60-8,6850817,"bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite",CCOP(OC1=C(C=C(C=C1C)C(C)(C)C)C(C)(C)C)OC2=C(C=C(C=C2C)C(C)(C)C)C(C)(C)C,"InChI=1S/C32H51O3P/c1-16-33-36(34-27-21(2)17-23(29(4,5)6)19-25(27)31(10,11)12)35-28-22(3)18-24(30(7,8)9)20-26(28)32(13,14)15/h17-20H,16H2,1-15H3",ZEFSGHVBJCEKAZ-UHFFFAOYSA-N,C32H51O3P,514.7,514.3575825,11.5,27.7,621,0,0,3,10,36,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 2-AMINO-, PHENYL ESTER",068227-69-0,109844,phenyl 2-aminobenzenesulfonate,C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2N,"InChI=1S/C12H11NO3S/c13-11-8-4-5-9-12(11)17(14,15)16-10-6-2-1-3-7-10/h1-9H,13H2",DELFPZLNAZAZRE-UHFFFAOYSA-N,C12H11NO3S,249.29,249.0459644,2.9,77.8,330,0,1,4,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenesulfonic acid, p-chlorophenyl ester",80-38-6,6636,(4-chlorophenyl) benzenesulfonate,C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)Cl,"InChI=1S/C12H9ClO3S/c13-10-6-8-11(9-7-10)16-17(14,15)12-4-2-1-3-5-12/h1-9H",SPJOZZSIXXJYBT-UHFFFAOYSA-N,C12H9ClO3S,268.72,267.996093,3.7,51.8,322,0,0,3,3,17,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 2,4-dichloro-, benzenesulfonate",97-16-5,7327,"(2,4-dichlorophenyl) benzenesulfonate",C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)Cl,"InChI=1S/C12H8Cl2O3S/c13-9-6-7-12(11(14)8-9)17-18(15,16)10-4-2-1-3-5-10/h1-8H",OZFAFGSSMRRTDW-UHFFFAOYSA-N,C12H8Cl2O3S,303.2,301.9571207,4.3,51.8,360,0,0,3,3,18,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"p-Toluenesulfonic acid, m-nitrophenyl ester",3899-90-9,94890,(3-nitrophenyl) 4-methylbenzenesulfonate,CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)[N+](=O)[O-],"InChI=1S/C13H11NO5S/c1-10-5-7-13(8-6-10)20(17,18)19-12-4-2-3-11(9-12)14(15)16/h2-9H,1H3",QRMMIQVSVATYQP-UHFFFAOYSA-N,C13H11NO5S,293.3,293.0357936,3.3,97.6,431,0,0,5,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
GANCICLOVIR SODIUM (MALE),082410-32-0,135398740,"2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-1H-purin-6-one",C1=NC2=C(N1COC(CO)CO)N=C(NC2=O)N,"InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)",IRSCQMHQWWYFCW-UHFFFAOYSA-N,C9H13N5O4,255.23,255.0967539,-2.5,135,346,0,4,6,5,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"6H-Purin-6-one, 2-amino-1,9-dihydro-9-(4-hydroxy-3-(hydroxymethyl)butyl)-",39809-25-1,135398748,2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-1H-purin-6-one,C1=NC2=C(N1CCC(CO)CO)N=C(NC2=O)N,"InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18)",JNTOCHDNEULJHD-UHFFFAOYSA-N,C10H15N5O3,253.26,253.1174894,-1.9,126,344,0,4,5,5,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphonic acid, ((2-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)ethoxy)methyl)-",114088-58-3,135409438,2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid,C1=NC2=C(N1CCOCP(=O)(O)O)N=C(NC2=O)N,"InChI=1S/C8H12N5O5P/c9-8-11-6-5(7(14)12-8)10-3-13(6)1-2-18-4-19(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14)",NZVORGQIEFTOQZ-UHFFFAOYSA-N,C8H12N5O5P,289.19,289.0576055,-3.1,152,437,0,4,7,5,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"L-Valine, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl ester",124832-26-4,135398742,2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate,CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N,"InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1",HDOVUKNUBWVHOX-QMMMGPOBSA-N,C13H20N6O4,324.34,324.1546031,-0.9,147,483,0,3,7,8,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"6H-Purin-6-one, 1,9-dihydro-2-amino-9-((2-hydroxyethoxy)methyl)-",059277-89-3,135398513,2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one,C1=NC2=C(N1COCCO)N=C(NC2=O)N,"InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)",MKUXAQIIEYXACX-UHFFFAOYSA-N,C8H11N5O3,225.2,225.0861892,-1.9,115,308,0,3,5,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE",000085-42-7,85689,"3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione",C1CCC2C(C1)C(=O)OC2=O,"InChI=1S/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2",MUTGBJKUEZFXGO-UHFFFAOYSA-N,C8H10O3,154.16,154.0629942,1.2,43.4,187,0,0,3,0,11,149 °C (open cup),BP: 145 °C at 18 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
"CIS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDIDE",013149-00-3,641660,"(3aS,7aR)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione",C1CC[C@H]2[C@@H](C1)C(=O)OC2=O,"InChI=1S/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2/t5-,6+",MUTGBJKUEZFXGO-OLQVQODUSA-N,C8H10O3,154.16,154.0629942,1.2,43.4,187,0,0,3,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
"HEXAHYDROMETHYL-1,3-ISOBENZOFURANDIONE",025550-51-0,3016472,"7a-methyl-4,5,6,7-tetrahydro-3aH-2-benzofuran-1,3-dione",CC12CCCCC1C(=O)OC2=O,"InChI=1S/C9H12O3/c1-9-5-3-2-4-6(9)7(10)12-8(9)11/h6H,2-5H2,1H3",VYKXQOYUCMREIS-UHFFFAOYSA-N,C9H12O3,168.19,168.0786442,1.5,43.4,246,0,0,3,0,12,145 °C,290 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
"1,3-ISOBENZOFURANDIONE, HEXAHYDRO-4-METHYL-",057110-29-9,118984417,"(3aR,7aS)-4-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione",CC1CCC[C@H]2[C@@H]1C(=O)OC2=O,"InChI=1S/C9H12O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h5-7H,2-4H2,1H3/t5?,6-,7+/m0/s1",QXBYUPMEYVDXIQ-BOJSHJERSA-N,C9H12O3,168.19,168.0786442,1.6,43.4,234,0,0,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
HEXAHYDRO-4-METHYLPHTHALIC ANHYDRIDE,019438-60-9,86876,"5-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione",CC1CCC2C(C1)C(=O)OC2=O,"InChI=1S/C9H12O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h5-7H,2-4H2,1H3",FKBMTBAXDISZGN-UHFFFAOYSA-N,C9H12O3,168.19,168.0786442,1.4,43.4,234,0,0,3,0,12,160 °C c.c.,296 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
NORFLURAZON,027314-13-2,33775,4-chloro-5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one,CNC1=C(C(=O)N(N=C1)C2=CC=CC(=C2)C(F)(F)F)Cl,"InChI=1S/C12H9ClF3N3O/c1-17-9-6-18-19(11(20)10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6,17H,1H3",NVGOPFQZYCNLDU-UHFFFAOYSA-N,C12H9ClF3N3O,303.67,303.0386241,2.3,44.7,461,0,1,6,2,20,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphorothioic acid, O,O-diethyl ester, O-ester with 6-hydroxy-2-phenyl-3(2H)pyridazinone",119-12-0,8381,6-diethoxyphosphinothioyloxy-2-phenylpyridazin-3-one,CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)C2=CC=CC=C2,"InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3",CXJSOEPQXUCJSA-UHFFFAOYSA-N,C14H17N2O4PS,340.34,340.0646652,3.3,92.5,493,0,0,6,7,22,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3(2H)-Pyridazinone, 4,5-dichloro-2-phenyl-",1698-53-9,72813,"4,5-dichloro-2-phenylpyridazin-3-one",C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)Cl,InChI=1S/C10H6Cl2N2O/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7/h1-6H,VKWCOHVAHQOJGU-UHFFFAOYSA-N,C10H6Cl2N2O,241.07,239.9857182,2.1,32.7,332,0,0,2,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3(2H)-Pyridazinone, 4,5-dibromo-2-phenyl-",14305-08-9,203396,"4,5-dibromo-2-phenylpyridazin-3-one",C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Br)Br,InChI=1S/C10H6Br2N2O/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7/h1-6H,NQJXEMRMTOSSBQ-UHFFFAOYSA-N,C10H6Br2N2O,329.97,329.88264,2.8,32.7,332,0,0,2,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SULFOMETURON METHYL,074222-97-2,52997,"methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate",CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)C,"InChI=1S/C15H16N4O5S/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3/h4-8H,1-3H3,(H2,16,17,18,19,21)",ZDXMLEQEMNLCQG-UHFFFAOYSA-N,C15H16N4O5S,364.4,364.0841408,1.9,136,581,0,2,7,5,25,,,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
FORAMSULFURON,173159-57-4,11419598,"2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-formamido-N,N-dimethylbenzamide",CN(C)C(=O)C1=C(C=C(C=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC,"InChI=1S/C17H20N6O7S/c1-23(2)15(25)11-6-5-10(18-9-24)7-12(11)31(27,28)22-17(26)21-16-19-13(29-3)8-14(20-16)30-4/h5-9H,1-4H3,(H,18,24)(H2,19,20,21,22,26)",PXDNXJSDGQBLKS-UHFFFAOYSA-N,C17H20N6O7S,452.4,452.1114182,0.5,177,732,0,3,9,7,31,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PRIMISULFURON [METHYL 2-[[[[[4,6-BIS(DIFLUOROMETHOXY)-2-PYRIMIDINYL]-AMINO]CAR",086209-51-0,101525,"methyl 2-[[4,6-bis(difluoromethoxy)pyrimidin-2-yl]carbamoylsulfamoyl]benzoate",COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC(F)F)OC(F)F,"InChI=1S/C15H12F4N4O7S/c1-28-11(24)7-4-2-3-5-8(7)31(26,27)23-15(25)22-14-20-9(29-12(16)17)6-10(21-14)30-13(18)19/h2-6,12-13H,1H3,(H2,20,21,22,23,25)",ZTYVMAQSHCZXLF-UHFFFAOYSA-N,C15H12F4N4O7S,468.3,468.0362826,3.6,154,707,0,2,13,9,31,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-4-(((methylsulfonyl)amino)methyl)-, methyl ester",208465-21-8,11409499,"methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(methanesulfonamidomethyl)benzoate",COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)CNS(=O)(=O)C)C(=O)OC)OC,"InChI=1S/C17H21N5O9S2/c1-29-13-8-14(30-2)20-16(19-13)21-17(24)22-33(27,28)12-7-10(9-18-32(4,25)26)5-6-11(12)15(23)31-3/h5-8,18H,9H2,1-4H3,(H2,19,20,21,22,24)",NIFKBBMCXCMCAO-UHFFFAOYSA-N,C17H21N5O9S2,503.5,503.0780696,0.6,209,876,0,3,12,10,33,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-Benzodioxan-2-methanol",3663-82-9,19314,"2,3-dihydro-1,4-benzodioxin-3-ylmethanol",C1C(OC2=CC=CC=C2O1)CO,"InChI=1S/C9H10O3/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7,10H,5-6H2",GWQOQQVKVOOHTI-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1,38.7,149,0,1,3,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-Benzodioxan-2-methylamine",4442-59-5,15053,"2,3-dihydro-1,4-benzodioxin-3-ylmethanamine",C1C(OC2=CC=CC=C2O1)CN,"InChI=1S/C9H11NO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,5-6,10H2",JHNURUNMNRSGRO-UHFFFAOYSA-N,C9H11NO2,165.19,165.0789786,0.8,44.5,151,0,1,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-Benzodioxan, 2-(1-methylaminoethyl)-",67011-31-8,48838,"1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylethanamine",CC(C1COC2=CC=CC=C2O1)NC,"InChI=1S/C11H15NO2/c1-8(12-2)11-7-13-9-5-3-4-6-10(9)14-11/h3-6,8,11-12H,7H2,1-2H3",VUAHSCOJFWABEC-UHFFFAOYSA-N,C11H15NO2,193.24,193.1102787,1.7,30.5,186,0,1,3,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-Benzodioxin, 2,3-dihydro-",493-09-4,10301,"2,3-dihydro-1,4-benzodioxine",C1COC2=CC=CC=C2O1,"InChI=1S/C8H8O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4H,5-6H2",BNBQRQQYDMDJAH-UHFFFAOYSA-N,C8H8O2,136.15,136.0524295,2,18.5,99,0,0,2,0,10,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, p-fluoro-, benzoylhydrazide",732-95-6,12903,N'-benzoyl-4-fluorobenzohydrazide,C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)F,"InChI=1S/C14H11FN2O2/c15-12-8-6-11(7-9-12)14(19)17-16-13(18)10-4-2-1-3-5-10/h1-9H,(H,16,18)(H,17,19)",KHQUUZWSHWTLKE-UHFFFAOYSA-N,C14H11FN2O2,258.25,258.0804558,1.8,58.2,321,0,2,3,2,19,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 3,5-dimethyl-, 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide",112410-23-8,91773,"N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide",CCC1=CC=C(C=C1)C(=O)NN(C(=O)C2=CC(=CC(=C2)C)C)C(C)(C)C,"InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)",QYPNKSZPJQQLRK-UHFFFAOYSA-N,C22H28N2O2,352.5,352.2150781,3.9,49.4,479,0,1,2,4,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2-benzoyl-1-(1,1-dimethylethyl)hydrazide",112225-87-3,86307,N'-benzoyl-N'-tert-butylbenzohydrazide,CC(C)(C)N(C(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2,"InChI=1S/C18H20N2O2/c1-18(2,3)20(17(22)15-12-8-5-9-13-15)19-16(21)14-10-6-4-7-11-14/h4-13H,1-3H3,(H,19,21)",NISLLQUWIJASOV-UHFFFAOYSA-N,C18H20N2O2,296.4,296.1524779,2.3,49.4,388,0,1,2,3,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 3-methoxy-2-methyl-, 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide",161050-58-4,105010,"N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide",CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C(=CC=C2)OC)C)C,"InChI=1S/C22H28N2O3/c1-14-11-15(2)13-17(12-14)21(26)24(22(4,5)6)23-20(25)18-9-8-10-19(27-7)16(18)3/h8-13H,1-7H3,(H,23,25)",QCAWEPFNJXQPAN-UHFFFAOYSA-N,C22H28N2O3,368.5,368.2099928,4.6,58.6,518,0,1,3,4,27,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
Cyclo((2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-valyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-valyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-valyl),917-13-5,164754,"(3S,6R,9S,12R,15S,18R)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone",CC(C)[C@H]1C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C,"InChI=1S/C33H57N3O9/c1-16(2)22-31(40)43-26(20(9)10)29(38)35(14)24(18(5)6)33(42)45-27(21(11)12)30(39)36(15)23(17(3)4)32(41)44-25(19(7)8)28(37)34(22)13/h16-27H,1-15H3/t22-,23-,24-,25+,26+,27+/m0/s1",MIZMDSVSLSIMSC-VYLWARHZSA-N,C33H57N3O9,639.8,639.4094804,6.5,140,952,0,0,9,6,45,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Fusafungine,1393-87-9,3084092,"(3S,9S,15S)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone",CC(C)[C@H]1C(=O)OC(C(=O)N([C@H](C(=O)OC(C(=O)N([C@H](C(=O)OC(C(=O)N1C)C(C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C,"InChI=1S/C33H57N3O9/c1-16(2)22-31(40)43-26(20(9)10)29(38)35(14)24(18(5)6)33(42)45-27(21(11)12)30(39)36(15)23(17(3)4)32(41)44-25(19(7)8)28(37)34(22)13/h16-27H,1-15H3/t22-,23-,24-,25?,26?,27?/m0/s1",MIZMDSVSLSIMSC-OGLSAIDSSA-N,C33H57N3O9,639.8,639.4094804,6.5,140,952,0,0,9,6,45,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
Cyclo((2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-isoleucyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-valyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-valyl),19914-20-6,11262300,"(3S,6R,9S,12R,15S,18R)-3-[(2S)-butan-2-yl]-4,10,16-trimethyl-6,9,12,15,18-penta(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone",CC[C@H](C)[C@H]1C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C,"InChI=1S/C34H59N3O9/c1-16-22(12)25-34(43)46-27(20(8)9)30(39)36(14)23(17(2)3)32(41)44-26(19(6)7)29(38)35(13)24(18(4)5)33(42)45-28(21(10)11)31(40)37(25)15/h17-28H,16H2,1-15H3/t22-,23-,24-,25-,26+,27+,28+/m0/s1",UQCSETXJXJTMKO-UMURLBKASA-N,C34H59N3O9,653.8,653.4251305,6.9,140,1100,0,0,9,7,46,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Cyclo((2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-isoleucyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-isoleucyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-valyl),4530-21-6,57339253,"(3S,6R,9S,12R,15S,18R)-3,9-bis[(2S)-butan-2-yl]-4,10,16-trimethyl-6,12,15,18-tetra(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone",CC[C@H](C)[C@H]1C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)[C@@H](C)CC)C)C(C)C)C(C)C)C)C(C)C,"InChI=1S/C35H61N3O9/c1-16-22(11)25-34(43)46-27(19(5)6)30(39)36(13)24(18(3)4)33(42)45-28(20(7)8)31(40)37(14)26(23(12)17-2)35(44)47-29(21(9)10)32(41)38(25)15/h18-29H,16-17H2,1-15H3/t22-,23-,24-,25-,26-,27+,28+,29+/m0/s1",OWUREPXBPJFMOK-CIRFPNLUSA-N,C35H61N3O9,667.9,667.4407805,7.3,140,1120,0,0,9,8,47,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Pyrrolidinol, 3-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride",1744-48-5,21120016,3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol;hydrochloride,C1CNCC1(C2=CC(=CC=C2)C(F)(F)F)O.Cl,"InChI=1S/C11H12F3NO.ClH/c12-11(13,14)9-3-1-2-8(6-9)10(16)4-5-15-7-10;/h1-3,6,15-16H,4-5,7H2;1H",QHXJNTDWIMIRGE-UHFFFAOYSA-N,C11H13ClF3NO,267.67,267.0637762,,32.3,256,0,3,5,1,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyrrolidinol, 3-(p-tolyl)-, hydrochloride",67465-16-1,3051402,3-(4-methylphenyl)pyrrolidin-3-ol;hydrochloride,CC1=CC=C(C=C1)C2(CCNC2)O.Cl,"InChI=1S/C11H15NO.ClH/c1-9-2-4-10(5-3-9)11(13)6-7-12-8-11;/h2-5,12-13H,6-8H2,1H3;1H",CKVXGJQRCKARJU-UHFFFAOYSA-N,C11H16ClNO,213.7,213.0920418,,32.3,175,0,3,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyrrolidinol, 3-(p-bromophenyl)-, hydrochloride",67466-31-3,3051527,3-(4-bromophenyl)pyrrolidin-3-ol;hydrochloride,C1CNCC1(C2=CC=C(C=C2)Br)O.Cl,"InChI=1S/C10H12BrNO.ClH/c11-9-3-1-8(2-4-9)10(13)5-6-12-7-10;/h1-4,12-13H,5-7H2;1H",GGFHRJDVISAHEL-UHFFFAOYSA-N,C10H13BrClNO,278.57,276.9869,,32.3,180,0,3,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyrrolidinol, 3-(p-fluorophenyl)-, hydrochloride",2248-30-8,200556,3-(4-fluorophenyl)pyrrolidin-3-ol;hydrochloride,C1CNCC1(C2=CC=C(C=C2)F)O.Cl,"InChI=1S/C10H12FNO.ClH/c11-9-3-1-8(2-4-9)10(13)5-6-12-7-10;/h1-4,12-13H,5-7H2;1H",DDZRRPMJKMSBRN-UHFFFAOYSA-N,C10H13ClFNO,217.67,217.0669699,,32.3,180,0,3,3,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzo(b)thiophene-3-carbonitrile, 2-amino-4,5,6,7-tetrahydro-",4651-91-6,78382,"2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile",C1CCC2=C(C1)C(=C(S2)N)C#N,"InChI=1S/C9H10N2S/c10-5-7-6-3-1-2-4-8(6)12-9(7)11/h1-4,11H2",ADHVMGAFAKSNOM-UHFFFAOYSA-N,C9H10N2S,178.26,178.0564695,2.8,78.1,220,0,1,3,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzothiophene, 4,5,6,7-tetrahydro-",6435-76-3,22946,"4,5,6,7-tetrahydro-1-benzothiophene",C1CCC2=C(C1)C=CS2,"InChI=1S/C8H10S/c1-2-4-8-7(3-1)5-6-9-8/h5-6H,1-4H2",CBKDCOKSXCTDAA-UHFFFAOYSA-N,C8H10S,138.23,138.0503215,2.8,28.2,101,0,0,1,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-",19156-54-8,767738,"4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid",C1CCC2=C(C1)C(=CS2)C(=O)O,"InChI=1S/C9H10O2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h5H,1-4H2,(H,10,11)",TUZZQEHPGHKGRJ-UHFFFAOYSA-N,C9H10O2S,182.24,182.0401507,2.4,65.5,193,0,1,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-",40133-07-1,2063443,"4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid",C1CCC2=C(C1)C=C(S2)C(=O)O,"InChI=1S/C9H10O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h5H,1-4H2,(H,10,11)",ROLXOQXKNDKXTA-UHFFFAOYSA-N,C9H10O2S,182.24,182.0401507,2.7,65.5,193,0,1,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-amino-6-methyl-, ethyl ester",76981-71-0,2788860,"ethyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate",CCOC(=O)C1=C(SC2=C1CCC(C2)C)N,"InChI=1S/C12H17NO2S/c1-3-15-12(14)10-8-5-4-7(2)6-9(8)16-11(10)13/h7H,3-6,13H2,1-2H3",WSOISFMHBFFWRQ-UHFFFAOYSA-N,C12H17NO2S,239.34,239.098,3.7,80.6,272,0,1,4,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1)Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-methyl-",19819-15-9,209395,"2-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one",CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1,"InChI=1S/C11H12N2OS/c1-6-12-10(14)9-7-4-2-3-5-8(7)15-11(9)13-6/h2-5H2,1H3,(H,12,13,14)",ULEHMWWQIZHLHN-UHFFFAOYSA-N,C11H12N2OS,220.29,220.0670342,1.9,69.7,329,0,1,3,0,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1)Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-(chloromethyl)-",89567-03-3,146058,"2-(chloromethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one",C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CCl,"InChI=1S/C11H11ClN2OS/c12-5-8-13-10(15)9-6-3-1-2-4-7(6)16-11(9)14-8/h1-5H2,(H,13,14,15)",GDHMBNWVLWMONW-UHFFFAOYSA-N,C11H11ClN2OS,254.74,254.0280618,2.6,69.7,347,0,1,3,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1)Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-",14346-24-8,98614,"5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one",C1CCC2=C(C1)C3=C(S2)N=CNC3=O,"InChI=1S/C10H10N2OS/c13-9-8-6-3-1-2-4-7(6)14-10(8)12-5-11-9/h5H,1-4H2,(H,11,12,13)",NMMOEJUJKIXUQZ-UHFFFAOYSA-N,C10H10N2OS,206.27,206.0513841,1.9,69.7,292,0,1,3,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1)Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-7-methyl-",95211-71-5,2790041,"7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one",CC1CCC2=C(C1)SC3=C2C(=O)NC=N3,"InChI=1S/C11H12N2OS/c1-6-2-3-7-8(4-6)15-11-9(7)10(14)12-5-13-11/h5-6H,2-4H2,1H3,(H,12,13,14)",YSMXTYUERRJGMR-UHFFFAOYSA-N,C11H12N2OS,220.29,220.0670342,2.4,69.7,318,0,1,3,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Imidazole, 4-(1-(2,3-dimethylphenyl)ethyl)-",86347-14-0,68602,"5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole",CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C,"InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)",CUHVIMMYOGQXCV-UHFFFAOYSA-N,C13H16N2,200.28,200.1313485,3.1,28.7,205,0,1,1,2,15,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1
"1H-Imidazole, 4-((2,3-dimethylphenyl)methyl)-, monohydrochloride",90038-01-0,56031,"5-[(2,3-dimethylphenyl)methyl]-1H-imidazole;hydrochloride",CC1=C(C(=CC=C1)CC2=CN=CN2)C.Cl,"InChI=1S/C12H14N2.ClH/c1-9-4-3-5-11(10(9)2)6-12-7-13-8-14-12;/h3-5,7-8H,6H2,1-2H3,(H,13,14);1H",OIWRDXKNDCJZSM-UHFFFAOYSA-N,C12H15ClN2,222.71,222.0923762,,28.7,181,0,2,1,2,15,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"1H-Imidazole, 4-((1S)-1-(2,3-dimethylphenyl)ethyl)-",113775-47-6,5311068,"5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole",CC1=C(C(=CC=C1)[C@H](C)C2=CN=CN2)C,"InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1",CUHVIMMYOGQXCV-NSHDSACASA-N,C13H16N2,200.28,200.1313485,3.1,28.7,205,0,1,1,2,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,1,1
"Oxiranemethanol, 4-nitrobenzoate, (R)-",106268-95-5,10867905,[(2R)-oxiran-2-yl]methyl 4-nitrobenzoate,C1[C@@H](O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C10H9NO5/c12-10(16-6-9-5-15-9)7-1-3-8(4-2-7)11(13)14/h1-4,9H,5-6H2/t9-/m1/s1",MUWIANZPEBMVHH-SECBINFHSA-N,C10H9NO5,223.18,223.0480724,1.7,84.7,279,0,0,5,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Oxiranemethanol, 3-methyl-, 4-nitrobenzoate, (R)-",106268-96-6,13779866,[(2R)-2-methyloxiran-2-yl]methyl 4-nitrobenzoate,C[C@@]1(CO1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C11H11NO5/c1-11(7-17-11)6-16-10(13)8-2-4-9(5-3-8)12(14)15/h2-5H,6-7H2,1H3/t11-/m0/s1",PUBTVFBOTFDPTA-NSHDSACASA-N,C11H11NO5,237.21,237.0637225,1.5,84.7,318,0,0,5,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Oxiranemethanol, 3-methyl-, 4-nitrobenzoate, (2S-trans)-",106268-97-7,150175,"[(2S,3S)-3-methyloxiran-2-yl]methyl 4-nitrobenzoate",C[C@H]1[C@@H](O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C11H11NO5/c1-7-10(17-7)6-16-11(13)8-2-4-9(5-3-8)12(14)15/h2-5,7,10H,6H2,1H3/t7-,10-/m0/s1",BPOPJHHLTDEVBN-XVKPBYJWSA-N,C11H11NO5,237.21,237.0637225,1.7,84.7,305,0,0,5,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Oxiranemethanol, 4-nitrobenzoate, (S)-",115459-65-9,146568,[(2S)-oxiran-2-yl]methyl 4-nitrobenzoate,C1[C@H](O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C10H9NO5/c12-10(16-6-9-5-15-9)7-1-3-8(4-2-7)11(13)14/h1-4,9H,5-6H2/t9-/m0/s1",MUWIANZPEBMVHH-VIFPVBQESA-N,C10H9NO5,223.18,223.0480724,1.7,84.7,279,0,0,5,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Oxiranemethanol, 2-methyl-, 4-nitrobenzoate, (2S)-",118200-96-7,147239,[(2S)-2-methyloxiran-2-yl]methyl 4-nitrobenzoate,C[C@]1(CO1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C11H11NO5/c1-11(7-17-11)6-16-10(13)8-2-4-9(5-3-8)12(14)15/h2-5H,6-7H2,1H3/t11-/m1/s1",PUBTVFBOTFDPTA-LLVKDONJSA-N,C11H11NO5,237.21,237.0637225,1.5,84.7,318,0,0,5,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DISODIUM 3,6-BIS((O-ARSONOPHENYL)AZO)-4,5-DIHYDROXYNAPHTHALENE-2,7-DISULPHONATE",062337-00-2,135472947,"disodium;3,6-bis[(2-arsonophenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonate",C1=CC=C(C(=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC4=CC=CC=C4[As](=O)(O)O)O)O)[As](=O)(O)O.[Na+].[Na+],"InChI=1S/C22H18As2N4O14S2.2Na/c29-21-18-11(9-16(43(37,38)39)19(21)27-25-14-7-3-1-5-12(14)23(31,32)33)10-17(44(40,41)42)20(22(18)30)28-26-15-8-4-2-6-13(15)24(34,35)36;;/h1-10,29-30H,(H2,31,32,33)(H2,34,35,36)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",KSSZSGSRTIMTBY-UHFFFAOYSA-L,C22H16As2N4Na2O14S2,820.3,819.83317,,336,1280,0,6,18,6,46,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
ARSENAZO III SODIUM,138608-19-2,137147605,,C1=CC=C(C(=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N=NC4=CC=CC=C4[As](=O)(O)O)O)O)[As](=O)(O)O.[Na],"InChI=1S/C22H18As2N4O14S2.Na/c29-21-18-11(9-16(43(37,38)39)19(21)27-25-14-7-3-1-5-12(14)23(31,32)33)10-17(44(40,41)42)20(22(18)30)28-26-15-8-4-2-6-13(15)24(34,35)36;/h1-10,29-30H,(H2,31,32,33)(H2,34,35,36)(H,37,38,39)(H,40,41,42);",VNQJUAYGHTVGRJ-UHFFFAOYSA-N,C22H18As2N4NaO14S2,799.4,798.85905,,330,1300,0,8,18,8,45,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 4-AMINO-6-[[2,5-DIMETHOXY-4-[[2-(SULFOOXY)ETHY",124822-87-3,135755670,"tetrasodium;5-amino-3-[[2,5-dimethoxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-4-hydroxy-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate",COC1=CC(=C(C=C1N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)[O-])N)O)OC)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C28H29N5O21S6.4Na/c1-51-19-14-21(56(37,38)10-8-54-60(48,49)50)20(52-2)13-18(19)31-33-27-23(58(42,43)44)12-15-11-22(57(39,40)41)26(25(29)24(15)28(27)34)32-30-16-3-5-17(6-4-16)55(35,36)9-7-53-59(45,46)47;;;;/h3-6,11-14,34H,7-10,29H2,1-2H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;/q;4*+1/p-4",HFPRJSOAOWITGC-UHFFFAOYSA-J,C28H25N5Na4O21S6,1051.9,1050.895707,,480,2150,0,2,26,14,64,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,1
"2,7-NAPHTHALENEDISULFONIC ACID, 3,6-BIS[(4-CHLORO-2-PHOSPHONOPHENYL)AZO]-4,5-D",001914-99-4,135456181,"3,6-bis[(4-chloro-2-phosphonophenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid",C1=CC(=C(C=C1Cl)P(=O)(O)O)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N=NC4=C(C=C(C=C4)Cl)P(=O)(O)O)O)O,"InChI=1S/C22H16Cl2N4O14P2S2/c23-10-1-3-12(14(7-10)43(31,32)33)25-27-19-16(45(37,38)39)5-9-6-17(46(40,41)42)20(22(30)18(9)21(19)29)28-26-13-4-2-11(24)8-15(13)44(34,35)36/h1-8,29-30H,(H2,31,32,33)(H2,34,35,36)(H,37,38,39)(H,40,41,42)",LMBABJNSZGKTBA-UHFFFAOYSA-N,C22H16Cl2N4O14P2S2,757.4,755.8956729,1.4,330,1380,0,8,18,8,46,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
METHYLENE BLUE,000061-73-4,6099,[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium chloride,CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-],"InChI=1S/C16H18N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10H,1-4H3;1H/q+1;/p-1",CXKWCBBOMKCUKX-UHFFFAOYSA-M,C16H18ClN3S,319.9,319.0909965,,43.9,483,0,0,4,1,21,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
METHYLENE BLUE TRIHYDRATE,007220-79-3,104827,[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;chloride;trihydrate,CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.O.O.O.[Cl-],"InChI=1S/C16H18N3S.ClH.3H2O/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;;;;/h5-10H,1-4H3;1H;3*1H2/q+1;;;;/p-1",XQAXGZLFSSPBMK-UHFFFAOYSA-M,C16H24ClN3O3S,373.9,373.1226905,,46.9,483,0,3,7,1,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
EPN,002104-64-5,16421,ethoxy-(4-nitrophenoxy)-phenyl-sulfanylidene-lambda5-phosphane,CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3",AIGRXSNSLVJMEA-UHFFFAOYSA-N,C14H14NO4PS,323.31,323.0381161,4.4,96.4,387,0,0,5,5,21,,215 °C @ 5 mm Hg,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
LEPTOPHOS,021609-90-5,30709,"(4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane",COP(=S)(C1=CC=CC=C1)OC2=CC(=C(C=C2Cl)Br)Cl,"InChI=1S/C13H10BrCl2O2PS/c1-17-19(20,9-5-3-2-4-6-9)18-13-8-11(15)10(14)7-12(13)16/h2-8H,1H3",CVRALZAYCYJELZ-UHFFFAOYSA-N,C13H10BrCl2O2PS,412.1,409.86996,6.3,50.6,368,0,0,3,4,20,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1
"Phosphonothioic acid, phenyl-, O-ethyl ester, O-ester with p-hydroxybenzonitrile",13067-93-1,25669,4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile,CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)C#N,"InChI=1S/C15H14NO2PS/c1-2-17-19(20,15-6-4-3-5-7-15)18-14-10-8-13(12-16)9-11-14/h3-11H,2H2,1H3",LRNJHZNPJSPMGK-UHFFFAOYSA-N,C15H14NO2PS,303.3,303.0482869,4.3,74.3,392,0,0,4,5,20,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
"Phosphonothioic acid, phenyl-, O-(2,4-dichlorophenyl) O-ethyl ester",3792-59-4,77416,"(2,4-dichlorophenoxy)-ethoxy-phenyl-sulfanylidene-lambda5-phosphane",CCOP(=S)(C1=CC=CC=C1)OC2=C(C=C(C=C2)Cl)Cl,"InChI=1S/C14H13Cl2O2PS/c1-2-17-19(20,12-6-4-3-5-7-12)18-14-9-8-11(15)10-13(14)16/h3-10H,2H2,1H3",PNAAEIYEUKNTMO-UHFFFAOYSA-N,C14H13Cl2O2PS,347.2,345.9750932,6.3,50.6,350,0,0,3,5,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 3-[[4-(PHENYLAMINO)PHENYL]AZO]-",004005-68-9,11490,3-[(4-anilinophenyl)diazenyl]benzenesulfonic acid,C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)O,"InChI=1S/C18H15N3O3S/c22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14/h1-13,19H,(H,22,23,24)",HLISYGBBLOOIQF-UHFFFAOYSA-N,C18H15N3O3S,353.4,353.0834125,4,99.5,532,0,2,6,5,25,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINE, N-PHENYL-4-(PHENYLAZO)-",000101-75-7,7575,N-phenyl-4-phenyldiazenylaniline,C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC=CC=C3,"InChI=1S/C18H15N3/c1-3-7-15(8-4-1)19-16-11-13-18(14-12-16)21-20-17-9-5-2-6-10-17/h1-14,19H",VXLFYNFOITWQPM-UHFFFAOYSA-N,C18H15N3,273.3,273.1265975,5.4,36.8,308,0,1,3,4,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METANIL YELLOW,000587-98-4,3935589,sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate,C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-].[Na+],"InChI=1S/C18H15N3O3S.Na/c22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14;/h1-13,19H,(H,22,23,24);/q;+1/p-1",NYGZLYXAPMMJTE-UHFFFAOYSA-M,C18H14N3NaO3S,375.4,375.0653568,,102,538,0,1,6,5,26,,,0,1,1,1,0,0,1,1,0,0,0,0,0,1,0,0,0,1,0,0
ORANGE IV,000554-73-4,23668839,sodium 4-[(4-anilinophenyl)diazenyl]benzenesulfonate,C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+],"InChI=1S/C18H15N3O3S.Na/c22-25(23,24)18-12-10-17(11-13-18)21-20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14;/h1-13,19H,(H,22,23,24);/q;+1/p-1",MLVYOYVMOZFHIU-UHFFFAOYSA-M,C18H14N3NaO3S,375.4,375.0653568,,102,530,0,1,6,5,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANEDIOIC ACID, 2,3-BIS[(4-METHYLBENZOYL)OXY]-, [R-(R*,R*)]-",032634-66-5,3037000,"(2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid",CC1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O,"InChI=1S/C20H18O8/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t15-,16-/m1/s1",CMIBUZBMZCBCAT-HZPDHXFCSA-N,C20H18O8,386.4,386.1001675,3.3,127,533,0,2,8,9,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(+)-2,3-DI-P-TOLUOYL-D-TARTARIC ACID",032634-68-7,263211,"(2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid",CC1=CC=C(C=C1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O,"InChI=1S/C20H18O8/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t15-,16-/m0/s1",CMIBUZBMZCBCAT-HOTGVXAUSA-N,C20H18O8,386.4,386.1001675,3.3,127,533,0,2,8,9,28,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
DIBENZOYL-D-TARTARIC ACID,017026-42-5,1550213,"(2S,3S)-2,3-dibenzoyloxybutanedioic acid",C1=CC=C(C=C1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O,"InChI=1S/C18H14O8/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h1-10,13-14H,(H,19,20)(H,21,22)/t13-,14-/m0/s1",YONLFQNRGZXBBF-KBPBESRZSA-N,C18H14O8,358.3,358.0688674,2.6,127,483,0,2,8,9,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
PROPYLENE GLYCOL DIBENZOATE,019224-26-1,517637,2-benzoyloxypropyl benzoate,CC(COC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2,"InChI=1S/C17H16O4/c1-13(21-17(19)15-10-6-3-7-11-15)12-20-16(18)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3",UMVMVEZHMZTUHD-UHFFFAOYSA-N,C17H16O4,284.31,284.104859,3.8,52.6,341,0,0,4,7,21,,232.00 °C. @ 12.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ETHYLENE SULFIDE,000420-12-2,9865,thiirane,C1CS1,InChI=1S/C2H4S/c1-2-3-1/h1-2H2,VOVUARRWDCVURC-UHFFFAOYSA-N,C2H4S,60.12,60.0033713,0.6,25.3,10,0,0,1,0,3,,decomposes at 57 °C,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"THIIRANE, METHYL-",001072-43-1,14072,2-methylthiirane,CC1CS1,"InChI=1S/C3H6S/c1-3-2-4-3/h3H,2H2,1H3",MBNVSWHUJDDZRH-UHFFFAOYSA-N,C3H6S,74.15,74.01902136,1.1,25.3,26,0,0,1,0,4,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"Propane, 1-chloro-2,3-epithio-",3221-15-6,18588,2-(chloromethyl)thiirane,C1C(S1)CCl,"InChI=1S/C3H5ClS/c4-1-3-2-5-3/h3H,1-2H2",XRWMHJJHPQTTLQ-UHFFFAOYSA-N,C3H5ClS,108.59,107.980049,1.3,25.3,37,0,0,1,1,5,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"7-TERT-BUTOXYBICYCLO(2.2.1)HEPTA-2,5-DIENE",000877-06-5,70138,"7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene",CC(C)(C)OC1C2C=CC1C=C2,"InChI=1S/C11H16O/c1-11(2,3)12-10-8-4-5-9(10)7-6-8/h4-10H,1-3H3",PTTSCAGWOHYHDN-UHFFFAOYSA-N,C11H16O,164.24,164.1201151,2.4,9.2,202,0,0,1,2,12,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Molybdenum, (2,5-norbornadienyl)tetracarbonyl-",12146-37-1,11370028,"bicyclo[2.2.1]hepta-2,5-diene;carbon monoxide;molybdenum",[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1C2C=CC1C=C2.[Mo],"InChI=1S/C7H8.4CO.Mo/c1-2-7-4-3-6(1)5-7;4*1-2;/h1-4,6-7H,5H2;;;;;",UZHYHBPCAGKHGZ-UHFFFAOYSA-N,C11H8MoO4,300.13,301.947662,,4,113,0,0,4,0,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LEPTOMYCIN B,087081-35-4,6917907,"(2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-[(2S,3S)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]-8-oxononadeca-2,10,12,16,18-pentaenoic acid",CC/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C/[C@H]1[C@H](C=CC(=O)O1)C,"InChI=1S/C33H48O6/c1-9-28(14-15-29-24(5)13-16-31(36)39-29)19-22(3)12-10-11-21(2)17-25(6)32(37)27(8)33(38)26(7)18-23(4)20-30(34)35/h10-11,13-17,19-20,22,24-27,29,33,38H,9,12,18H2,1-8H3,(H,34,35)/b11-10+,15-14+,21-17+,23-20+,28-19-/t22-,24+,25-,26+,27-,29+,33-/m1/s1",YACHGFWEQXFSBS-XYERBDPFSA-N,C33H48O6,540.7,540.3450893,7.9,101,1020,0,2,6,15,39,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1
"5,6-DIHYDRO-4-METHYL-2H-PYRAN-2-ONE",002381-87-5,557445,"4-methyl-2,3-dihydropyran-6-one",CC1=CC(=O)OCC1,"InChI=1S/C6H8O2/c1-5-2-3-8-6(7)4-5/h4H,2-3H2,1H3",RPEASMBMVIKUTH-UHFFFAOYSA-N,C6H8O2,112.13,112.0524295,0.6,26.3,135,0,0,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-PYRAN-2-ONE, 5,6-DIHYDRO-6-PENTYL-, (R)-",051154-96-2,642793,"(2R)-2-pentyl-2,3-dihydropyran-6-one",CCCCC[C@@H]1CC=CC(=O)O1,"InChI=1S/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,8-9H,2-4,6-7H2,1H3/t9-/m1/s1",NEDIAPMWNCQWNW-SECBINFHSA-N,C10H16O2,168.23,168.1150297,3.1,26.3,173,0,0,2,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"5,6-DIHYDRO-6-METHYL-2H-PYRAN-2-ONE",000108-54-3,24869,"2-methyl-2,3-dihydropyran-6-one",CC1CC=CC(=O)O1,"InChI=1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h2,4-5H,3H2,1H3",DYNKRGCMLGUEMN-UHFFFAOYSA-N,C6H8O2,112.13,112.0524295,1.1,26.3,126,0,0,2,0,8,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OXAZOLIDINE HEMIFORMALS SOLUTION,056709-13-8,62120,"1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-ylmethoxymethanol",C1C2(COCN2CO1)COCO,"InChI=1S/C7H13NO4/c9-6-12-3-7-1-10-4-8(7)5-11-2-7/h9H,1-6H2",LOOVHMYLQJKYRI-UHFFFAOYSA-N,C7H13NO4,175.18,175.0844579,-1.1,51.2,153,0,1,5,3,12,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"1H,3H,5H-OXAZOLO[3,4-C]OXAZOLE-7A(7H)-METHANOL",006542-37-6,62612,"1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-ylmethanol",C1C2(COCN2CO1)CO,"InChI=1S/C6H11NO3/c8-1-6-2-9-4-7(6)5-10-3-6/h8H,1-5H2",BFHKYHMIVDBCPC-UHFFFAOYSA-N,C6H11NO3,145.16,145.0738932,-1.1,41.9,129,0,1,4,1,10,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1H,3H,5H-OXAZOLO[3,4-C]OXAZOLE, 7A-ETHYLDIHYDRO-3,5-BIS(1-METHYLETHYL)-",079185-77-6,3664989,"7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole",CCC12COC(N1C(OC2)C(C)C)C(C)C,"InChI=1S/C13H25NO2/c1-6-13-7-15-11(9(2)3)14(13)12(10(4)5)16-8-13/h9-12H,6-8H2,1-5H3",ZFNYRUONSKXJOW-UHFFFAOYSA-N,C13H25NO2,227.34,227.188529,3.3,21.7,232,0,0,3,3,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"1H,3H,5H-OXAZOLO[3,4-C]OXAZOLE, 7A-ETHYLDIHYDRO-",007747-35-5,82190,"7a-ethyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole",CCC12COCN1COC2,"InChI=1S/C7H13NO2/c1-2-7-3-9-5-8(7)6-10-4-7/h2-6H2,1H3",ZRCMGIXRGFOXNT-UHFFFAOYSA-N,C7H13NO2,143.18,143.0946287,0.5,21.7,128,0,0,3,1,10,,,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"THIAZOLE, 4,5-DIHYDRO-2-METHYL-",002346-00-1,16867,"2-methyl-4,5-dihydro-1,3-thiazole",CC1=NCCS1,"InChI=1S/C4H7NS/c1-4-5-2-3-6-4/h2-3H2,1H3",JUIQOABNSLTJSW-UHFFFAOYSA-N,C4H7NS,101.17,101.0299204,0.3,37.7,77,0,0,2,0,6,,144.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"THIAZOLE, 4-ETHYL-4,5-DIHYDRO-2-METHYL-",004293-61-2,107254,"4-ethyl-2-methyl-4,5-dihydro-1,3-thiazole",CCC1CSC(=N1)C,"InChI=1S/C6H11NS/c1-3-6-4-8-5(2)7-6/h6H,3-4H2,1-2H3",LENVRVUQOXYSDH-UHFFFAOYSA-N,C6H11NS,129.23,129.0612205,1.3,37.7,109,0,0,2,1,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-THIAZOLAMINE, 4,5-DIHYDRO-",001779-81-3,15689,"4,5-dihydro-1,3-thiazol-2-amine",C1CSC(=N1)N,"InChI=1S/C3H6N2S/c4-3-5-1-2-6-3/h1-2H2,(H2,4,5)",REGFWZVTTFGQOJ-UHFFFAOYSA-N,C3H6N2S,102.16,102.0251694,-0.2,63.7,78,0,1,2,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHYLMORPHOLINE N-OXIDE,007529-22-8,82029,4-methyl-4-oxidomorpholin-4-ium,C[N+]1(CCOCC1)[O-],"InChI=1S/C5H11NO2/c1-6(7)2-4-8-5-3-6/h2-5H2,1H3",LFTLOKWAGJYHHR-UHFFFAOYSA-N,C5H11NO2,117.15,117.0789786,-0.7,27.3,78,0,0,2,0,8,,,0,0,0,0,0,0,0,1,0,1,0,0,0,1,0,0,1,0,0,1
"MORPHOLINIUM, 4-ETHYL-4-HEXADECYL-, ETHYL SULFATE",000078-21-7,60971,4-ethyl-4-hexadecylmorpholin-4-ium;ethyl sulfate,CCCCCCCCCCCCCCCC[N+]1(CCOCC1)CC.CCOS(=O)(=O)[O-],"InChI=1S/C22H46NO.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(4-2)19-21-24-22-20-23;1-2-6-7(3,4)5/h3-22H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",QDQHWKZZJJDBND-UHFFFAOYSA-M,C24H51NO5S,465.7,465.3487949,,84,364,0,0,5,17,31,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
4-METHYLMORPHOLINE N-OXIDE MONOHYDRATE,070187-32-5,2724197,4-methyl-4-oxidomorpholin-4-ium;hydrate,C[N+]1(CCOCC1)[O-].O,"InChI=1S/C5H11NO2.H2O/c1-6(7)2-4-8-5-3-6;/h2-5H2,1H3;1H2",WAZPLXZGZWWXDQ-UHFFFAOYSA-N,C5H13NO3,135.16,135.0895433,,28.3,78,0,1,3,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HYDRIDOTETRAKIS(TRIPHENYLPHOSPHINE)RHODIUM(I),018284-36-1,11981874,rhodium;tetrakis(triphenylphosphane),C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Rh],InChI=1S/4C18H15P.Rh/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h4*1-15H;,IGTVAJJAPJKARK-UHFFFAOYSA-N,C72H60P4Rh,1152,1151.27004,,0,202,0,0,0,12,77,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
VINYLFERROCENE,001271-51-8,16211828,,C=CC1=CC=C[CH]1.C1=C[CH]C=C1.[Fe],"InChI=1S/C7H7.C5H5.Fe/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;/h2-6H,1H2;1-5H;",LCPVTGDQYVLJHU-UHFFFAOYSA-N,C12H12Fe,212.07,212.028836,,0,153,0,0,0,1,13,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"1,1-DIMETHYLFERROCENE",001291-47-0,16211189,,CC1=CC=C[CH]1.CC1=CC=C[CH]1.[Fe],"InChI=1S/2C6H7.Fe/c2*1-6-4-2-3-5-6;/h2*2-5H,1H3;",GJFIEPAJMYPAGC-UHFFFAOYSA-N,C12H14Fe,214.08,214.044486,,0,84,0,0,0,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
RUTHENOCENE,001287-13-4,11020720,,C1=C[CH]C=C1.C1=C[CH]C=C1.[Ru],InChI=1S/2C5H5.Ru/c2*1-2-4-5-3-1;/h2*1-5H;,BKEJVRMLCVMJLG-UHFFFAOYSA-N,C10H10Ru,231.3,231.982591,,0,38,0,0,0,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FERROCENE,000102-54-5,10219726,,C1=C[CH]C=C1.C1=C[CH]C=C1.[Fe],InChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;,DFRHTHSZMBROSH-UHFFFAOYSA-N,C10H10Fe,186.03,186.013186,,0,38,0,0,0,0,11,,"480 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,1,0,0,1,0,0,0,1,0,0,0,0,1,0
HEXAMETHYLCYCLOTRISILOXANE,000541-05-9,10914,"2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane",C[Si]1(O[Si](O[Si](O1)(C)C)(C)C)C,"InChI=1S/C6H18O3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h1-6H3",HTDJPCNNEPUOOQ-UHFFFAOYSA-N,C6H18O3Si3,222.46,222.056374,,27.7,139,0,0,3,0,12,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"CYCLOTRISILOXANE, HEXAETHYL-",002031-79-0,74849,"2,2,4,4,6,6-hexaethyl-1,3,5,2,4,6-trioxatrisilinane",CC[Si]1(O[Si](O[Si](O1)(CC)CC)(CC)CC)CC,"InChI=1S/C12H30O3Si3/c1-7-16(8-2)13-17(9-3,10-4)15-18(11-5,12-6)14-16/h7-12H2,1-6H3",KMPBCFZCRNKXSA-UHFFFAOYSA-N,C12H30O3Si3,306.62,306.1502744,,27.7,200,0,0,3,6,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,6-TRIMETHYL-2,4,6-TRIS(3,3,3-TRIFLUOROPROPYL)CYCLOTRISILOXANE",002374-14-3,75410,"2,4,6-trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,2,4,6-trioxatrisilinane",C[Si]1(O[Si](O[Si](O1)(C)CCC(F)(F)F)(C)CCC(F)(F)F)CCC(F)(F)F,"InChI=1S/C12H21F9O3Si3/c1-25(7-4-10(13,14)15)22-26(2,8-5-11(16,17)18)24-27(3,23-25)9-6-12(19,20)21/h4-9H2,1-3H3",URZHQOCYXDNFGN-UHFFFAOYSA-N,C12H21F9O3Si3,468.53,468.0654776,,27.7,424,0,0,12,6,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"2,4,6-TRIETHENYL-2,4,6-TRIMETHYL-CYCLOTRISILOXANE",003901-77-7,77507,"2,4,6-tris(ethenyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane",C[Si]1(O[Si](O[Si](O1)(C)C=C)(C)C=C)C=C,"InChI=1S/C9H18O3Si3/c1-7-13(4)10-14(5,8-2)12-15(6,9-3)11-13/h7-9H,1-3H2,4-6H3",BVTLTBONLZSBJC-UHFFFAOYSA-N,C9H18O3Si3,258.49,258.056374,,27.7,243,0,0,3,3,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"9H-THIOXANTHEN-9-ONE, 2-CHLORO-",000086-39-5,618848,2-chlorothioxanthen-9-one,C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)Cl,InChI=1S/C13H7ClOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H,ZCDADJXRUCOCJE-UHFFFAOYSA-N,C13H7ClOS,246.71,245.9906137,4.6,42.4,294,0,0,2,0,16,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
HYCANTHONE,003105-97-3,3634,1-[2-(diethylamino)ethylamino]-4-(hydroxymethyl)thioxanthen-9-one,CCN(CC)CCNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O,"InChI=1S/C20H24N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,21,23H,3-4,11-13H2,1-2H3",MFZWMTSUNYWVBU-UHFFFAOYSA-N,C20H24N2O2S,356.5,356.1558492,2.7,77.9,443,0,2,5,7,25,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9H-THIOXANTHEN-9-ONE, 2-(1-METHYLETHYL)-",005495-84-1,79633,2-propan-2-ylthioxanthen-9-one,CC(C)C1=CC2=C(C=C1)SC3=CC=CC=C3C2=O,"InChI=1S/C16H14OS/c1-10(2)11-7-8-15-13(9-11)16(17)12-5-3-4-6-14(12)18-15/h3-10H,1-2H3",KTALPKYXQZGAEG-UHFFFAOYSA-N,C16H14OS,254.3,254.0765362,5.1,42.4,325,0,0,2,1,18,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"9H-THIOXANTHEN-9-ONE, 4-(1-METHYLETHYL)-",083846-86-0,158403,4-propan-2-ylthioxanthen-9-one,CC(C)C1=CC=CC2=C1SC3=CC=CC=C3C2=O,"InChI=1S/C16H14OS/c1-10(2)11-7-5-8-13-15(17)12-6-3-4-9-14(12)18-16(11)13/h3-10H,1-2H3",IKVYHNPVKUNCJM-UHFFFAOYSA-N,C16H14OS,254.3,254.0765362,4.6,42.4,325,0,0,2,1,18,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"5H-TETRAZOLE-5-THIONE, 1,2-DIHYDRO-1-PHENYL-",000086-93-1,690730,1-phenyl-2H-tetrazole-5-thione,C1=CC=C(C=C1)N2C(=S)N=NN2,"InChI=1S/C7H6N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h1-5H,(H,8,10,12)",GGZHVNZHFYCSEV-UHFFFAOYSA-N,C7H6N4S,178.22,178.0313174,2.8,72.1,209,0,1,3,1,12,,,0,0,0,1,0,0,1,1,0,1,0,0,0,0,0,0,0,1,0,0
"ACETAMIDE, N-[3-(2,5-DIHYDRO-5-THIOXO-1H-TETRAZOL-1-YL)PHENYL]-",014070-48-5,712430,N-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]acetamide,CC(=O)NC1=CC(=CC=C1)N2C(=S)N=NN2,"InChI=1S/C9H9N5OS/c1-6(15)10-7-3-2-4-8(5-7)14-9(16)11-12-13-14/h2-5H,1H3,(H,10,15)(H,11,13,16)",SCWKACOBHZIKDI-UHFFFAOYSA-N,C9H9N5OS,235.27,235.0527811,2,101,332,0,2,4,2,16,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"5H-TETRAZOLE-5-THIONE, 1-(3,4-DICHLOROPHENYL)-1,2-DIHYDRO-",063684-99-1,3034971,"1-(3,4-dichlorophenyl)-2H-tetrazole-5-thione",C1=CC(=C(C=C1N2C(=S)N=NN2)Cl)Cl,"InChI=1S/C7H4Cl2N4S/c8-5-2-1-4(3-6(5)9)13-7(14)10-11-12-13/h1-3H,(H,10,12,14)",CAFFRONNGPFZKV-UHFFFAOYSA-N,C7H4Cl2N4S,247.1,245.9533727,4.1,72.1,272,0,1,3,1,14,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"2,6-DICHLOROQUINONE-4-CHLOROIMIDE",000101-38-2,7556,"2,6-dichloro-4-chloroiminocyclohexa-2,5-dien-1-one",C1=C(C(=O)C(=CC1=NCl)Cl)Cl,InChI=1S/C6H2Cl3NO/c7-4-1-3(10-9)2-5(8)6(4)11/h1-2H,YHUMTHWQGWPJOQ-UHFFFAOYSA-N,C6H2Cl3NO,210.4,208.920197,2.9,29.4,266,0,0,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,1,1,0,0,1
"2,5-CYCLOHEXADIEN-1-ONE, 4-(CHLOROIMINO)-",000637-61-6,12505,"4-chloroiminocyclohexa-2,5-dien-1-one",C1=CC(=O)C=CC1=NCl,InChI=1S/C6H4ClNO/c7-8-5-1-3-6(9)4-2-5/h1-4H,ITUYMTWJWYTELW-UHFFFAOYSA-N,C6H4ClNO,141.55,140.9981414,1.3,29.4,197,0,0,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,2,4-Oxadiazole, 5-(2-(diethylamino)ethyl)-3-phenyl-, phosphate",1949-19-5,6431771,"N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;phosphoric acid",CCN(CC)CCC1=NC(=NO1)C2=CC=CC=C2.OP(=O)(O)O,"InChI=1S/C14H19N3O.H3O4P/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12;1-5(2,3)4/h5-9H,3-4,10-11H2,1-2H3;(H3,1,2,3,4)",PSCWWFOVTFSDGZ-UHFFFAOYSA-N,C14H22N3O5P,343.32,343.1297078,,120,277,0,3,8,6,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,4-Oxadiazol-5-amine, 3-phenyl-",3663-37-4,77230,"3-phenyl-1,2,4-oxadiazol-5-amine",C1=CC=C(C=C1)C2=NOC(=N2)N,"InChI=1S/C8H7N3O/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)",DZHVJUCGKWKRTO-UHFFFAOYSA-N,C8H7N3O,161.16,161.0589119,2.3,64.9,147,0,1,4,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM PERCHLORATE HYDRATE,207683-20-3,270750,"5-methyl-3-(4-methylphenyl)-1,2,4-oxadiazole",CC1=CC=C(C=C1)C2=NOC(=N2)C,"InChI=1S/C10H10N2O/c1-7-3-5-9(6-4-7)10-11-8(2)13-12-10/h3-6H,1-2H3",OYGSEQYNSZOSCE-UHFFFAOYSA-N,C10H10N2O,174.2,174.0793129,2.7,38.9,166,0,0,3,1,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,4-Oxadiazole, 3-phenyl-5-ureido-",5421-95-4,21536,"(3-phenyl-1,2,4-oxadiazol-5-yl)urea",C1=CC=C(C=C1)C2=NOC(=N2)NC(=O)N,"InChI=1S/C9H8N4O2/c10-8(14)12-9-11-7(13-15-9)6-4-2-1-3-5-6/h1-5H,(H3,10,11,12,13,14)",LMIXYJYVSQYMNF-UHFFFAOYSA-N,C9H8N4O2,204.19,204.0647255,1.8,94,230,0,2,4,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ACTINOMYCIN D,000050-76-0,457193,"2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide",C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C,"InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1",RJURFGZVJUQBHK-IIXSONLDSA-N,C62H86N12O16,1255.4,1254.628475,3.8,356,3030,0,5,18,8,90,,,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
7-AMINOACTINOMYCIN D,007240-37-1,14924508,"2,7-diamino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide",C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=CC(=C(C4=C3N=C5C(=C(C(=O)C(=C5O4)C)N)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)C)N,"InChI=1S/C62H87N13O16/c1-26(2)42-59(85)74-21-17-19-36(74)57(83)70(13)24-38(76)72(15)48(28(5)6)61(87)89-32(11)44(55(81)66-42)68-53(79)34-23-35(63)30(9)51-46(34)65-47-40(41(64)50(78)31(10)52(47)91-51)54(80)69-45-33(12)90-62(88)49(29(7)8)73(16)39(77)25-71(14)58(84)37-20-18-22-75(37)60(86)43(27(3)4)67-56(45)82/h23,26-29,32-33,36-37,42-45,48-49H,17-22,24-25,63-64H2,1-16H3,(H,66,81)(H,67,82)(H,68,79)(H,69,80)/t32-,33-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1",YXHLJMWYDTXDHS-IRFLANFNSA-N,C62H87N13O16,1270.4,1269.639374,3.1,382,3070,0,6,19,8,91,,,0,1,1,1,0,1,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"Actinomycin D, 3(sup A)-(4-hydroxy-L-proline)-",18865-46-8,197972,"2-amino-1-N-[18-hydroxy-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-9-N-[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide",CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CC(CN7C(=O)C(NC6=O)C(C)C)O)C)C)C(C)C)C)N)C,"InChI=1S/C62H86N12O17/c1-26(2)42-59(85)73-21-17-18-36(73)57(83)69(13)24-38(76)71(15)48(28(5)6)61(87)89-32(11)44(55(81)65-42)67-53(79)35-20-19-30(9)51-46(35)64-47-40(41(63)50(78)31(10)52(47)91-51)54(80)68-45-33(12)90-62(88)49(29(7)8)72(16)39(77)25-70(14)58(84)37-22-34(75)23-74(37)60(86)43(27(3)4)66-56(45)82/h19-20,26-29,32-34,36-37,42-45,48-49,75H,17-18,21-25,63H2,1-16H3,(H,65,81)(H,66,82)(H,67,79)(H,68,80)",NHBSPDCGDJCFKE-UHFFFAOYSA-N,C62H86N12O17,1271.4,1270.623389,2.8,376,3070,0,6,19,8,91,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
AZINPHOS-ETHYL,002642-71-9,17531,"3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one",CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1,"InChI=1S/C12H16N3O3PS2/c1-3-17-19(20,18-4-2)21-9-15-12(16)10-7-5-6-8-11(10)13-14-15/h5-8H,3-4,9H2,1-2H3",RQVGAIADHNPSME-UHFFFAOYSA-N,C12H16N3O3PS2,345.4,345.0370707,3.4,121,439,0,0,7,7,21,,"232 °F at 0.001 mmHg (EPA, 1998)",1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,3-Benzotriazin-4(1H)-one",000090-16-4,135408793,"3H-1,2,3-benzotriazin-4-one",C1=CC=C2C(=C1)C(=O)NN=N2,"InChI=1S/C7H5N3O/c11-7-5-3-1-2-4-6(5)8-10-9-7/h1-4H,(H,8,9,11)",DMSSTTLDFWKBSX-UHFFFAOYSA-N,C7H5N3O,147.13,147.0432618,1.4,53.8,202,0,1,3,0,11,,,0,0,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
AZINPHOS-METHYL,000086-50-0,2268,"3-(dimethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one",COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1,"InChI=1S/C10H12N3O3PS2/c1-15-17(18,16-2)19-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,7H2,1-2H3",CJJOSEISRRTUQB-UHFFFAOYSA-N,C10H12N3O3PS2,317.3,317.0057706,2.8,121,413,0,0,7,5,19,,"Decomposes (NTP, 1992)",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-(DIETHOXYPHOSPHORYLOXY)-1,2,3-BENZOTRIAZIN-4(3H)-ONE",165534-43-0,4293995,"diethyl (4-oxo-1,2,3-benzotriazin-3-yl) phosphate",CCOP(=O)(OCC)ON1C(=O)C2=CC=CC=C2N=N1,"InChI=1S/C11H14N3O5P/c1-3-17-20(16,18-4-2)19-14-11(15)9-7-5-6-8-10(9)12-13-14/h5-8H,3-4H2,1-2H3",AJDPNPAGZMZOMN-UHFFFAOYSA-N,C11H14N3O5P,299.22,299.0671076,1.1,89.8,420,0,0,7,6,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
VINCRISTINE SULFATE,002068-78-2,249332,"methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate;sulfuric acid",CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O,"InChI=1S/C46H56N4O10.H2O4S/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;1-5(2,3)4/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1",AQTQHPDCURKLKT-JKDPCDLQSA-N,C46H58N4O14S,923,922.3670237,,254,1830,0,5,16,10,65,,,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0
VINBLASTINE SULFATE CRYST,000143-67-9,5388983,"methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15R,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate;sulfuric acid",CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O,"InChI=1S/C46H58N4O9.H2O4S/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t28-,37-,38+,39+,42-,43+,44+,45-,46-;/m0./s1",KDQAABAKXDWYSZ-PNYVAJAMSA-N,C46H60N4O13S,909.1,908.3877592,,237,1780,0,5,16,10,64,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Vincaleukoblastine, deacetyl-",3352-69-0,197026,"methyl (9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate",CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)O)CC)OC)C(=O)OC)O,"InChI=1S/C44H56N4O8/c1-7-40(52)22-26-23-43(38(50)55-5,34-28(14-18-47(24-26)25-40)27-12-9-10-13-31(27)45-34)30-20-29-32(21-33(30)54-4)46(3)36-42(29)16-19-48-17-11-15-41(8-2,35(42)48)37(49)44(36,53)39(51)56-6/h9-13,15,20-21,26,35-37,45,49,52-53H,7-8,14,16-19,22-25H2,1-6H3/t26-,35+,36-,37-,40+,41-,42?,43+,44+/m1/s1",NDMPLJNOPCLANR-SAYSVMKTSA-N,C44H56N4O8,768.9,768.4098148,3.7,148,1580,0,4,11,8,56,,,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0
"YOHIMBAN-16-CARBOXYLIC ACID, 17-HYDROXY-, METHYL ESTER, MONOHYDROCHLORIDE, (16",000065-19-0,6169,"methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride",COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O.Cl,"InChI=1S/C21H26N2O3.ClH/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24;/h2-5,12,15,17-19,22,24H,6-11H2,1H3;1H/t12-,15-,17-,18-,19+;/m0./s1",PIPZGJSEDRMUAW-VJDCAHTMSA-N,C21H27ClN2O3,390.9,390.1710204,,65.6,555,0,3,4,2,27,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"20-alpha-Yohimban-16-beta-carboxylic acid, 17-alpha-hydroxy-, methyl ester, hydrochloride",6211-32-1,197067,"methyl (1S,15S,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride",COC(=O)[C@@H]1[C@H](CC[C@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O.Cl,"InChI=1S/C21H26N2O3.ClH/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24;/h2-5,12,15,17-19,22,24H,6-11H2,1H3;1H/t12-,15+,17+,18+,19+;/m1./s1",PIPZGJSEDRMUAW-ZKKXXTDSSA-N,C21H27ClN2O3,390.9,390.1710204,,65.6,555,0,3,4,2,27,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-PYRAZOLIDINONE, 4,4-DIMETHYL-1-PHENYL-",002654-58-2,75861,"4,4-dimethyl-1-phenylpyrazolidin-3-one",CC1(CN(NC1=O)C2=CC=CC=C2)C,"InChI=1S/C11H14N2O/c1-11(2)8-13(12-10(11)14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,14)",SJSJAWHHGDPBOC-UHFFFAOYSA-N,C11H14N2O,190.24,190.1106131,2.2,32.3,231,0,1,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
PHENIDONE,000092-43-3,7090,1-phenylpyrazolidin-3-one,C1CN(NC1=O)C2=CC=CC=C2,"InChI=1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)",CMCWWLVWPDLCRM-UHFFFAOYSA-N,C9H10N2O,162.19,162.0793129,0.9,32.3,175,0,1,2,1,12,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
4-(HYDROXYMETHYL)-4-METHYL-1-PHENYL-3-PYRAZOLIDINONE,013047-13-7,92238,4-(hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one,CC1(CN(NC1=O)C2=CC=CC=C2)CO,"InChI=1S/C11H14N2O2/c1-11(8-14)7-13(12-10(11)15)9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3,(H,12,15)",DSVIHYOAKPVFEH-UHFFFAOYSA-N,C11H14N2O2,206.24,206.1055277,1.5,52.6,251,0,2,3,2,15,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
MICROCYSTIN LR,101043-37-2,445434,"(5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid",C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C,"InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1",ZYZCGGRZINLQBL-GWRQVWKTSA-N,C49H74N10O12,995.2,994.5487678,2.3,343,2000,0,10,13,15,71,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
Cyanoginosin-LA,96180-79-9,6437382,"(5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid",C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C,"InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1",DIAQQISRBBDJIM-DRSCAGMXSA-N,C46H67N7O12,910.1,909.4847706,3.5,279,1810,0,8,12,11,65,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Cyanoginosin LA, 3-L-arginine-5-L-arginine-",111755-37-4,6438357,"(5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid",C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CCCN=C(N)N)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C,"InChI=1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29-,30+,33-,34-,35-,36+,37-,39+/m0/s1",JIGDOBKZMULDHS-UUHBQKJESA-N,C49H75N13O12,1038.2,1037.565815,-0.2,408,2120,0,12,14,17,74,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Cyanoginosin LA, 1-(2,3-didehydroalanine)-5-L-arginine-",134842-07-2,6441244,"(5R,8R,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid",C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C(=C)NC(=O)CC[C@@H](NC1=O)C(=O)O)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C,"InChI=1S/C48H72N10O12/c1-25(2)22-36-45(65)58-39(47(68)69)29(6)41(61)55-34(16-13-21-51-48(49)50)44(64)54-33(18-17-26(3)23-27(4)37(70-9)24-32-14-11-10-12-15-32)28(5)40(60)56-35(46(66)67)19-20-38(59)52-30(7)42(62)53-31(8)43(63)57-36/h10-12,14-15,17-18,23,25,27-29,31,33-37,39H,7,13,16,19-22,24H2,1-6,8-9H3,(H,52,59)(H,53,62)(H,54,64)(H,55,61)(H,56,60)(H,57,63)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,26-23+/t27-,28-,29-,31+,33-,34-,35+,36+,37-,39+/m0/s1",WLWITBHAANNFHV-YNYQYFAYSA-N,C48H72N10O12,981.1,980.5331178,2.1,352,1960,0,11,13,15,70,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
AFLATOXIN B1,001162-65-8,186907,"(3S,7R)-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione",COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1,"InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3/t8-,17+/m0/s1",OQIQSTLJSLGHID-WNWIJWBNSA-N,C17H12O6,312.27,312.0633881,1.6,71.1,649,0,0,6,1,23,,,0,1,1,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)-benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-hydroxy-, (6aR-cis)-",32215-02-4,5484726,"(3S,7R)-11-hydroxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1(12),2(9),4,10,13(17)-pentaene-16,18-dione",C1CC(=O)C2=C1C3=C(C4=C(C=C3O)O[C@@H]5[C@H]4C=CO5)OC2=O,"InChI=1S/C16H10O6/c17-8-2-1-6-11-9(18)5-10-13(7-3-4-20-16(7)21-10)14(11)22-15(19)12(6)8/h3-5,7,16,18H,1-2H2/t7-,16+/m0/s1",NRCXNPKDOMYPPJ-HYORBCNSSA-N,C16H10O6,298.25,298.047738,1.3,82.1,635,0,1,6,0,22,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ABAMECTON B1,065195-56-4,6858005,"(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethyl-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one",C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)OC)\C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C(C)C)C)O,"InChI=1S/C47H70O14/c1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h11-14,16-18,24-25,27,29-30,32-44,48-49,51H,15,19-23H2,1-10H3/b12-11+,26-14+,31-13+/t25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m0/s1",ZFUKERYTFURFGA-PVVXTEPVSA-N,C47H70O14,859,858.4765569,3.5,170,1710,0,3,14,7,61,,,1,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
ABAMECTIN B1 II,065195-55-3,6434889,"(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one",CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C,"InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1",RRZXIRBKKLTSOM-XPNPUAGNSA-N,C48H72O14,873.1,872.492207,3.8,170,1730,0,3,14,8,62,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Eprinomectin, B1a and B1b mixture",123997-26-2,6450531,"N-[(2S,3R,4R,6S)-6-[(2S,3R,4S,6R)-6-[(1'R,2R,3S,4'S,6S,8'R,10'Z,12'S,13'S,14'Z,16'Z,20'R,21'R,24'S)-21',24'-dihydroxy-3,11',13',22'-tetramethyl-2'-oxo-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-12'-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]acetamide",C[C@H]1/C=C\C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(\[C@H]1O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@H]([C@@H]([C@@H](O6)C)NC(=O)C)OC)OC)/C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C(C)C)C)O,"InChI=1S/C49H73NO14/c1-25(2)43-28(5)17-18-48(64-43)23-35-20-34(63-48)16-15-27(4)44(26(3)13-12-14-33-24-57-46-42(52)29(6)19-36(47(53)60-35)49(33,46)54)61-40-22-38(56-11)45(31(8)59-40)62-39-21-37(55-10)41(30(7)58-39)50-32(9)51/h12-15,17-19,25-26,28,30-31,34-46,52,54H,16,20-24H2,1-11H3,(H,50,51)/b13-12-,27-15-,33-14-/t26-,28-,30-,31-,34+,35-,36-,37+,38-,39-,40-,41+,42+,43+,44-,45+,46+,48+,49+/m0/s1",WPNHOHPRXXCPRA-TVXIRPTOSA-N,C49H73NO14,900.1,899.503106,3.5,179,1830,0,3,14,8,64,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
TEFLUTHRIN,079538-32-2,11534837,"trans-(2,3,5,6-tetrafluoro-4-methylphenyl)methyl (1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate",CC1=C(C(=C(C(=C1F)F)COC(=O)[C@H]2[C@H](C2(C)C)/C=C(/C(F)(F)F)\Cl)F)F,"InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-/t8-,10-/m1/s1",ZFHGXWPMULPQSE-SZGBIDFHSA-N,C17H14ClF7O2,418.7,418.0570545,5.4,26.3,591,0,0,9,5,27,,156 °C at 1 mm Hg,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
Methothyrin,11114-02-6,36819,"[4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate",CC(=CC1C(C1(C)C)C(=O)OCC2=CC=C(C=C2)COC)C,"InChI=1S/C19H26O3/c1-13(2)10-16-17(19(16,3)4)18(20)22-12-15-8-6-14(7-9-15)11-21-5/h6-10,16-17H,11-12H2,1-5H3",GQNBIMLHUAWKHJ-UHFFFAOYSA-N,C19H26O3,302.4,302.1881947,5.1,35.5,412,0,0,3,7,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (2,3,5,6-tetrafluorophenyl)methyl ester, (1R,3S)-",118712-89-3,656612,"cis-(2,3,5,6-tetrafluorophenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate",CC1([C@@H]([C@H]1C(=O)OCC2=C(C(=CC(=C2F)F)F)F)C=C(Cl)Cl)C,"InChI=1S/C15H12Cl2F4O2/c1-15(2)7(3-10(16)17)11(15)14(22)23-5-6-12(20)8(18)4-9(19)13(6)21/h3-4,7,11H,5H2,1-2H3/t7-,11+/m1/s1",DDVNRFNDOPPVQJ-HQJQHLMTSA-N,C15H12Cl2F4O2,371.2,370.0150477,5,26.3,482,0,0,6,5,23,,,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1
TRIPHENYLANTIMONY,000603-36-1,11777,triphenylstibane,C1=CC=C(C=C1)[Sb](C2=CC=CC=C2)C3=CC=CC=C3,InChI=1S/3C6H5.Sb/c3*1-2-4-6-5-3-1;/h3*1-5H;,HVYVMSPIJIWUNA-UHFFFAOYSA-N,C18H15Sb,353.1,352.02119,,0,202,0,0,0,3,19,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Antimony, dibromotriphenyl-",1538-59-6,299739,dibromo(triphenyl)-lambda5-stibane,C1=CC=C(C=C1)[Sb](C2=CC=CC=C2)(C3=CC=CC=C3)(Br)Br,InChI=1S/3C6H5.2BrH.Sb/c3*1-2-4-6-5-3-1;;;/h3*1-5H;2*1H;/q;;;;;+2/p-2,QHXPZUYAVMUVJN-UHFFFAOYSA-L,C18H15Br2Sb,512.9,511.85581,,0,285,0,0,0,3,21,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Antimony, bis(acetyloxy)triphenyl-",1538-62-1,16683106,[acetyloxy(triphenyl)-lambda5-stibanyl] acetate,CC(=O)O[Sb](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)OC(=O)C,"InChI=1S/3C6H5.2C2H4O2.Sb/c3*1-2-4-6-5-3-1;2*1-2(3)4;/h3*1-5H;2*1H3,(H,3,4);/q;;;;;+2/p-2",MPOFCRCFZPKTCF-UHFFFAOYSA-L,C22H21O4Sb,471.2,470.0478,,52.6,460,0,0,4,7,27,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
N-ACETYL-DL-HOMOCYSTEINE THIOLACTONE,017896-21-8,14520,N-(2-oxothiolan-3-yl)acetamide,CC(=O)NC1CCSC1=O,"InChI=1S/C6H9NO2S/c1-4(8)7-5-2-3-10-6(5)9/h5H,2-3H2,1H3,(H,7,8)",NRFJZTXWLKPZAV-UHFFFAOYSA-N,C6H9NO2S,159.21,159.0353997,-0.3,71.5,169,0,1,3,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIHYDRO-2(3H)-THIOPHENONE,001003-10-7,13852,thiolan-2-one,C1CC(=O)SC1,InChI=1S/C4H6OS/c5-4-2-1-3-6-4/h1-3H2,KMSNYNIWEORQDJ-UHFFFAOYSA-N,C4H6OS,102.16,102.013936,0.7,42.4,69,0,0,2,0,6,,195.00 to 197.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, ((2-oxo-2-((tetrahydro-2-oxo-3-thienyl)amino)ethyl)thio)-",84611-23-4,65632,2-[2-oxo-2-[(2-oxothiolan-3-yl)amino]ethyl]sulfanylacetic acid,C1CSC(=O)C1NC(=O)CSCC(=O)O,"InChI=1S/C8H11NO4S2/c10-6(3-14-4-7(11)12)9-5-1-2-15-8(5)13/h5H,1-4H2,(H,9,10)(H,11,12)",QGFORSXNKQLDNO-UHFFFAOYSA-N,C8H11NO4S2,249.3,249.0129502,-0.1,134,282,0,2,6,5,15,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,3,5,6-TETRAFLUORO-7,7,8,8-TETRA-CYANOQUINODIMETHANE",029261-33-4,2733307,"2-[4-(dicyanomethylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile",C(#N)C(=C1C(=C(C(=C(C#N)C#N)C(=C1F)F)F)F)C#N,InChI=1S/C12F4N4/c13-9-7(5(1-17)2-18)10(14)12(16)8(11(9)15)6(3-19)4-20,IXHWGNYCZPISET-UHFFFAOYSA-N,C12F4N4,276.15,276.0059087,0.2,95.2,697,0,0,8,0,20,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"7,7,8,8-TETRACYANOQUINODIMETHANE",001518-16-7,73697,"2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile",C1=CC(=C(C#N)C#N)C=CC1=C(C#N)C#N,InChI=1S/C12H4N4/c13-5-11(6-14)9-1-2-10(4-3-9)12(7-15)8-16/h1-4H,PCCVSPMFGIFTHU-UHFFFAOYSA-N,C12H4N4,204.19,204.0435961,1,95.2,535,0,0,4,0,16,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-FLUORO-7,7,8,8-TETRACYANOQUINODIMETHANE",069857-37-0,19748576,"2-[4-(dicyanomethylidene)-3-fluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile",C1=CC(=C(C#N)C#N)C(=CC1=C(C#N)C#N)F,InChI=1S/C12H3FN4/c13-12-3-8(9(4-14)5-15)1-2-11(12)10(6-16)7-17/h1-3H,BXPLEMMFZOKIHP-UHFFFAOYSA-N,C12H3FN4,222.18,222.0341743,0.8,95.2,659,0,0,5,0,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3,5-Pyrazolidinedione, 1,2-diphenyl-4-(3-oxobutyl)-",853-34-9,3824,"4-(3-oxobutyl)-1,2-diphenylpyrazolidine-3,5-dione",CC(=O)CCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C19H18N2O3/c1-14(22)12-13-17-18(23)20(15-8-4-2-5-9-15)21(19(17)24)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3",LGYTZKPVOAIUKX-UHFFFAOYSA-N,C19H18N2O3,322.4,322.1317424,1.2,57.7,457,0,0,3,5,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CARBONYLHYDROTRIS(TRIPHENYLPHOSPHINE)RHODIUM,017185-29-4,6101629,carbon monoxide;hydride;rhodium;tris(triphenylphosphane),[H-].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Rh],InChI=1S/3C18H15P.CO.Rh.H/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h3*1-15H;;;/q;;;;;-1,LNIBUINQDXTYPF-UHFFFAOYSA-N,C55H46OP3Rh-,918.8,918.18165,,1,212,-1,0,2,9,60,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"IRIDIUM, CARBONYLHYDROTRIS(TRIPHENYLPHOSPHINE)-",017250-25-8,87018,carbon monoxide;hydride;iridium;tris(triphenylphosphane),[H-].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ir],InChI=1S/3C18H15P.CO.Ir.H/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h3*1-15H;;;/q;;;;;-1,OUSUBFLJNQPWDZ-UHFFFAOYSA-N,C55H46IrOP3-,1008.1,1008.23908,,1,214,-1,0,2,9,60,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIS(TRIPHENYLPHOSPHINE)RUTHENIUM(II) CHLORIDE,015529-49-4,11007548,dichlororuthenium;tris(triphenylphosphane),C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ru]Cl,InChI=1S/3C18H15P.2ClH.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h3*1-15H;2*1H;/q;;;;;+2/p-2,WIWBLJMBLGWSIN-UHFFFAOYSA-L,C54H45Cl2P3Ru,958.8,958.115458,,0,204,0,0,0,9,60,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"N,N'-DIBENZYLETHYLENEDIAMINE",000140-28-3,8793,"N,N'-dibenzylethane-1,2-diamine",C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2,"InChI=1S/C16H20N2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2",JUHORIMYRDESRB-UHFFFAOYSA-N,C16H20N2,240.34,240.1626486,2.4,24.1,171,0,2,2,7,18,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYLENEDIAMINE-DI(ORTHO-HYDROXYPHENYLACETIC ACID),001170-02-1,14432,2-[2-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid,C1=CC=C(C(=C1)C(C(=O)O)NCCNC(C2=CC=CC=C2O)C(=O)O)O,"InChI=1S/C18H20N2O6/c21-13-7-3-1-5-11(13)15(17(23)24)19-9-10-20-16(18(25)26)12-6-2-4-8-14(12)22/h1-8,15-16,19-22H,9-10H2,(H,23,24)(H,25,26)",PZZHMLOHNYWKIK-UHFFFAOYSA-N,C18H20N2O6,360.4,360.1321364,-2.2,139,433,0,6,8,9,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethylenediamine, N,N'-dibenzyl-, dihydrochloride",3412-76-8,2728761,"N,N'-dibenzylethane-1,2-diamine;dihydrochloride",C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2.Cl.Cl,"InChI=1S/C16H20N2.2ClH/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;;/h1-10,17-18H,11-14H2;2*1H",NZBGFGGNLREHFL-UHFFFAOYSA-N,C16H22Cl2N2,313.3,312.1160041,,24.1,171,0,4,2,7,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BICYCLO[3.1.0]HEXAN-3-ONE, 4-METHYL-1-(1-METHYLETHYL)-, [1S-(1.ALPHA.,4.ALPHA.",000546-80-5,261491,"(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one",C[C@@H]1[C@H]2C[C@]2(CC1=O)C(C)C,"InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1",USMNOWBWPHYOEA-MRTMQBJTSA-N,C10H16O,152.23,152.1201151,2.3,17.1,207,0,0,1,1,11,,200.00 to 201.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Bicyclo(3.1.0)hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S,5R)-",76231-76-0,10931629,"(1S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one",CC1[C@H]2C[C@]2(CC1=O)C(C)C,"InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7?,8-,10+/m1/s1",USMNOWBWPHYOEA-VWHDNNRLSA-N,C10H16O,152.23,152.1201151,2.3,17.1,207,0,0,1,1,11,,203 °C,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
(-)-THUJONE,001125-12-8,11027,4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one,CC1C2CC2(CC1=O)C(C)C,"InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3",USMNOWBWPHYOEA-UHFFFAOYSA-N,C10H16O,152.23,152.1201151,2.3,17.1,207,0,0,1,1,11,,200.00 to 201.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzimidazole, 2-benzyl-",000621-72-7,12132,2-benzyl-1H-benzimidazole,C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2,"InChI=1S/C14H12N2/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16)",YTLQFZVCLXFFRK-UHFFFAOYSA-N,C14H12N2,208.26,208.1000484,3.2,28.7,223,0,1,1,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzimidazole, 1-(2-diethylaminoethyl)-2-(p-ethoxybenzyl)-5-nitro-, hydrochlor",002053-25-0,16334,2-[2-[(4-ethoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]ethyl-diethylazanium chloride,CC[NH+](CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC3=CC=C(C=C3)OCC.[Cl-],"InChI=1S/C22H28N4O3.ClH/c1-4-24(5-2)13-14-25-21-12-9-18(26(27)28)16-20(21)23-22(25)15-17-7-10-19(11-8-17)29-6-3;/h7-12,16H,4-6,13-15H2,1-3H3;1H",JTBRYBUIGVMMQL-UHFFFAOYSA-N,C22H29ClN4O3,432.9,432.1928185,,77.3,503,0,1,5,9,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
METODESNITAZENE HYDROCHLORIDE,1071546-40-1,121230195,"N,N-diethyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanamine;hydrochloride",CCN(CC)CCN1C2=CC=CC=C2N=C1CC3=CC=C(C=C3)OC.Cl,"InChI=1S/C21H27N3O.ClH/c1-4-23(5-2)14-15-24-20-9-7-6-8-19(20)22-21(24)16-17-10-12-18(25-3)13-11-17;/h6-13H,4-5,14-16H2,1-3H3;1H",IOQZPMOVWNEIKR-UHFFFAOYSA-N,C21H28ClN3O,373.9,373.1920902,,30.3,379,0,1,3,8,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"2-PYRIDINECARBONITRILE, 4-PHENYL-",018714-16-4,87758,4-phenylpyridine-2-carbonitrile,C1=CC=C(C=C1)C2=CC(=NC=C2)C#N,InChI=1S/C12H8N2/c13-9-12-8-11(6-7-14-12)10-4-2-1-3-5-10/h1-8H,TXLINXBIWJYFNR-UHFFFAOYSA-N,C12H8N2,180.2,180.0687483,2.5,36.7,222,0,0,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PYRIDINAMINE, 4-PHENYL-",060781-83-1,109014,4-phenylpyridin-2-amine,C1=CC=C(C=C1)C2=CC(=NC=C2)N,"InChI=1S/C11H10N2/c12-11-8-10(6-7-13-11)9-4-2-1-3-5-9/h1-8H,(H2,12,13)",BAOIJCGWLQNKOE-UHFFFAOYSA-N,C11H10N2,170.21,170.0843983,1.8,38.9,152,0,1,2,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-PHENYLPYRIDINE,000939-23-1,13651,4-phenylpyridine,C1=CC=C(C=C1)C2=CC=NC=C2,InChI=1S/C11H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9H,JVZRCNQLWOELDU-UHFFFAOYSA-N,C11H9N,155.2,155.0734993,2.6,12.9,121,0,0,1,1,12,,281.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Glu-P-1,067730-11-4,49971,"10-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-4-amine",CC1=CC=CN2C1=NC3=C2N=C(C=C3)N,"InChI=1S/C11H10N4/c1-7-3-2-6-15-10(7)13-8-4-5-9(12)14-11(8)15/h2-6H,1H3,(H2,12,14)",AYLURHVFAYRSHT-UHFFFAOYSA-N,C11H10N4,198.22,198.0905463,1.7,56.2,245,0,1,3,0,15,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Glu-P-2,067730-10-3,49970,"1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-4-amine",C1=CC2=NC3=C(N2C=C1)N=C(C=C3)N,"InChI=1S/C10H8N4/c11-8-5-4-7-10(13-8)14-6-2-1-3-9(14)12-7/h1-6H,(H2,11,13)",BUXVIXBGMQXWGT-UHFFFAOYSA-N,C10H8N4,184.2,184.0748963,1.4,56.2,220,0,1,3,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Dipyrido(1,2-a:3',2'-d)imidazol-2-amine, monohydrochloride",,24837713,"1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-4-amine;hydrochloride",C1=CC2=NC3=C(N2C=C1)N=C(C=C3)N.Cl,"InChI=1S/C10H8N4.ClH/c11-8-5-4-7-10(13-8)14-6-2-1-3-9(14)12-7;/h1-6H,(H2,11,13);1H",DSPLNNJIMIPTPE-UHFFFAOYSA-N,C10H9ClN4,220.66,220.051574,,56.2,220,0,2,3,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ASANA,066230-04-4,10342051,[(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate,CC(C)[C@@H](C1=CC=C(C=C1)Cl)C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3,"InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1",NYPJDWWKZLNGGM-RPWUZVMVSA-N,C25H22ClNO3,419.9,419.1288213,6.2,59.3,586,0,0,4,8,30,256 °C,151-167 °C,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,1
"Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester,(R-(R*,S*))-",66267-77-4,47876,[(R)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate,CC(C)[C@@H](C1=CC=C(C=C1)Cl)C(=O)O[C@@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3,"InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24-/m0/s1",NYPJDWWKZLNGGM-ZEQRLZLVSA-N,C25H22ClNO3,419.9,419.1288213,6.2,59.3,586,0,0,4,8,30,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzeneacetic acid, 4-(difluoromethoxy)-alpha-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester",70124-77-5,50980,[cyano-(3-phenoxyphenyl)methyl] 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate,CC(C)C(C1=CC=C(C=C1)OC(F)F)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3,"InChI=1S/C26H23F2NO4/c1-17(2)24(18-11-13-21(14-12-18)32-26(27)28)25(30)33-23(16-29)19-7-6-10-22(15-19)31-20-8-4-3-5-9-20/h3-15,17,23-24,26H,1-2H3",GBIHOLCMZGAKNG-UHFFFAOYSA-N,C26H23F2NO4,451.5,451.1595145,6.2,68.6,650,0,0,7,10,33,,108 °C at 0.35 mm Hg,1,1,1,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,1,0
CHLORHEXIDINE DIACETATE,000056-95-1,9562059,acetic acid;(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine,CC(=O)O.CC(=O)O.C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl,"InChI=1S/C22H30Cl2N10.2C2H4O2/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;2*1-2(3)4/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*1H3,(H,3,4)",WDRFFJWBUDTUCA-UHFFFAOYSA-N,C26H38Cl2N10O4,625.5,624.2454551,,252,679,0,8,6,13,42,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
CHLORHEXIDINE DIGLUCONATE,018472-51-0,9552081,"(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)",C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl.C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O.C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O,"InChI=1S/C22H30Cl2N10.2C6H12O7/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;2*7-1-2(8)3(9)4(10)5(11)6(12)13/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*2-5,7-11H,1H2,(H,12,13)/t;2*2-,3-,4+,5-/m.11/s1",YZIYKJHYYHPJIB-UUPCJSQJSA-N,C34H54Cl2N10O14,897.8,896.3198018,,454,819,0,18,16,23,60,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
CHLORHEXIDINE,000055-56-1,9552079,(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine,C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl,"InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)",GHXZTYHSJHQHIJ-UHFFFAOYSA-N,C22H30Cl2N10,505.4,504.2031964,0.1,178,648,0,6,2,13,34,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,1,0,1,0,1,1
"2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-,dihydrochloride",3697-42-5,9571016,(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;dihydrochloride,C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl.Cl.Cl,"InChI=1S/C22H30Cl2N10.2ClH/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;;/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*1H",WJLVQTJZDCGNJN-UHFFFAOYSA-N,C22H32Cl4N10,578.4,578.153602,,178,648,0,8,2,13,36,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
SULFADIAZINE,000068-35-9,5215,4-amino-N-pyrimidin-2-ylbenzenesulfonamide,C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N,"InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)",SEEPANYCNGTZFQ-UHFFFAOYSA-N,C10H10N4O2S,250.28,250.0524468,-0.1,106,327,0,2,6,3,17,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,1,0,1,1,0,1
"N(SUP 1)-(4,6-DIMETHYL-2-PYRIMIDINYL) SULFANILAMIDE",000057-68-1,5327,"4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide",CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C,"InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)",ASWVTGNCAZCNNR-UHFFFAOYSA-N,C12H14N4O2S,278.33,278.0837469,0.3,106,377,0,2,6,3,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONAMIDE, 4-AMINO-N-(4-METHYL-2-PYRIMIDINYL)-",000127-79-7,5325,4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide,CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N,"InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)",QPPBRPIAZZHUNT-UHFFFAOYSA-N,C11H12N4O2S,264.31,264.0680968,0.1,106,360,0,2,6,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Sulfanilamide, N(sup 1)-(5-methoxy-2-pyrimidinyl)-",651-06-9,5326,4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide,COC1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N,"InChI=1S/C11H12N4O3S/c1-18-9-6-13-11(14-7-9)15-19(16,17)10-4-2-8(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)",GPTONYMQFTZPKC-UHFFFAOYSA-N,C11H12N4O3S,280.31,280.0630114,0.4,116,368,0,2,7,4,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CARBAMAZEPINE,000298-46-4,2554,benzo[b][1]benzazepine-11-carboxamide,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N,"InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)",FFGPTBGBLSHEPO-UHFFFAOYSA-N,C15H12N2O,236.27,236.094963,2.5,46.3,326,0,1,1,0,18,,399.6±45.0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"5H-Dibenz(b,f)azepine",256-96-2,9212,11H-benzo[b][1]benzazepine,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2,"InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H",LCGTWRLJTMHIQZ-UHFFFAOYSA-N,C14H11N,193.24,193.0891494,4,12,222,0,1,1,0,15,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"5H-Dibenz(b,f)azepine, 5-(3-(dimethylamino)propyl)-",303-54-8,67534,"3-benzo[b][1]benzazepin-11-yl-N,N-dimethylpropan-1-amine",CN(C)CCCN1C2=CC=CC=C2C=CC3=CC=CC=C31,"InChI=1S/C19H22N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-13H,7,14-15H2,1-2H3",AFBYHZACPPSJKD-UHFFFAOYSA-N,C19H22N2,278.4,278.1782987,5,6.5,323,0,0,2,4,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5H-Dibenz(b,f)azepine-5-propanamine, N,N,beta-trimethyl-, monohydrochloride",1159-80-4,121381,"3-benzo[b][1]benzazepin-11-yl-N,N,2-trimethylpropan-1-amine;hydrochloride",CC(CN1C2=CC=CC=C2C=CC3=CC=CC=C31)CN(C)C.Cl,"InChI=1S/C20H24N2.ClH/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22;/h4-13,16H,14-15H2,1-3H3;1H",XDWNTULJQAJLQV-UHFFFAOYSA-N,C20H25ClN2,328.9,328.1706265,,6.5,350,0,1,2,4,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIQUAT DIBROMIDE MONOHYDRATE,006385-62-2,115268,"7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide;hydrate",C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.O.[Br-].[Br-],"InChI=1S/C12H12N2.2BrH.H2O/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;;/h1-8H,9-10H2;2*1H;1H2/q+2;;;/p-2",KLJOSQAQZMLLMB-UHFFFAOYSA-L,C12H14Br2N2O,362.06,361.94524,,8.8,182,0,1,3,0,17,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,1
DIQUAT [CAS N0. 002764-72-9],002764-72-9,6795,"7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene",C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31,"InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2",SYJFEGQWDCRVNX-UHFFFAOYSA-N,C12H12N2+2,184.24,184.1000484,1.4,7.8,182,2,0,0,0,14,,"Decomposes (NIOSH, 2024)",1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,1
"Dipyrido(1,2-a;2',1'-c)pyrazinediium, 6,7-dihydro-, dichloride",4032-26-2,19943,"7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene dichloride",C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Cl-].[Cl-],"InChI=1S/C12H12N2.2ClH/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;/h1-8H,9-10H2;2*1H/q+2;;/p-2",SKYNPRKUXHXZFJ-UHFFFAOYSA-L,C12H12Cl2N2,255.14,254.0377538,,7.8,182,0,0,2,0,16,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,1
DIQUAT DIBROMIDE,000085-00-7,6794,"7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene dibromide",C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-].[Br-],"InChI=1S/C12H12N2.2BrH/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;/h1-8H,9-10H2;2*1H/q+2;;/p-2",ODPOAESBSUKMHD-UHFFFAOYSA-L,C12H12Br2N2,344.04,343.93467,,7.8,182,0,0,2,0,16,,Decomposes,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,1
"Sulfanilamide, N(sup 1)-2-pyrimidinyl-, monosodium salt",000547-32-0,15899898,sodium (4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide,C1=CN=C(N=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)N.[Na+],"InChI=1S/C10H9N4O2S.Na/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;/h1-7H,11H2;/q-1;+1",JLDCNMJPBBKAHH-UHFFFAOYSA-N,C10H9N4NaO2S,272.26,272.034391,,95.3,332,0,1,6,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"BENZENESULFONAMIDE, 4-AMINO-N-(4,6-DIMETHYL-2-PYRIMIDINYL)-, MONOSODIUM SALT",001981-58-4,13456556,"sodium (4-aminophenyl)sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide",CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(C=C2)N)C.[Na+],"InChI=1S/C12H13N4O2S.Na/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11;/h3-7H,13H2,1-2H3;/q-1;+1",NGIVTUVVBWOTNT-UHFFFAOYSA-N,C12H13N4NaO2S,300.31,300.0656911,,95.3,383,0,1,6,3,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"SULFADIAZINE, SILVER SALT",022199-08-2,441244,silver (4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide,C1=CN=C(N=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)N.[Ag+],"InChI=1S/C10H9N4O2S.Ag/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;/h1-7H,11H2;/q-1;+1",UEJSSZHHYBHCEL-UHFFFAOYSA-N,C10H9AgN4O2S,357.14,355.94971,,95.3,327,0,1,6,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-BENZOTRIAZOLE, SODIUM SALT",015217-42-2,3517935,sodium benzotriazol-1-ide,C1=CC=C2C(=C1)[N-]N=N2.[Na+],InChI=1S/C6H4N3.Na/c1-2-4-6-5(3-1)7-9-8-6;/h1-4H;/q-1;+1,POCQWBKETUXWSC-UHFFFAOYSA-N,C6H4N3Na,141.11,141.0302914,,26.8,109,0,0,3,0,10,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"METHYL-1H-BENZOTRIAZOLE, SODIUM SALT",064665-57-2,23687327,sodium 4-methylbenzotriazol-1-ide,CC1=C2C(=CC=C1)[N-]N=N2.[Na+],"InChI=1S/C7H6N3.Na/c1-5-3-2-4-6-7(5)9-10-8-6;/h2-4H,1H3;/q-1;+1",REERYFLJRPUSHT-UHFFFAOYSA-N,C7H6N3Na,155.13,155.0459415,,26.8,131,0,0,3,0,11,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTYL BENZOTRIAZOLE, SODIUM SALT",118685-34-0,44144773,sodium 5-butylbenzotriazol-1-ide,CCCCC1=CC2=C(C=C1)[N-]N=N2.[Na+],"InChI=1S/C10H12N3.Na/c1-2-3-4-8-5-6-9-10(7-8)12-13-11-9;/h5-7H,2-4H2,1H3;/q-1;+1",GNLXYXCOPZDOPO-UHFFFAOYSA-N,C10H12N3Na,197.21,197.0928917,,26.8,165,0,0,3,3,14,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"1H-BENZOTRIAZOLE, POTASSIUM SALT",051126-65-9,11105616,potassium benzotriazol-1-ide,C1=CC=C2C(=C1)[N-]N=N2.[K+],InChI=1S/C6H4N3.K/c1-2-4-6-5(3-1)7-9-8-6;/h1-4H;/q-1;+1,YAFMHFATKDXBKQ-UHFFFAOYSA-N,C6H4KN3,157.21,157.0042286,,26.8,109,0,0,3,0,10,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
TRIPHENYLCARBENIUM TETRAFLUOROBORATE,000341-02-6,2723955,diphenylmethylbenzene tetrafluoroborate,[B-](F)(F)(F)F.C1=CC=C(C=C1)[C+](C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C19H15.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h1-15H;/q+1;-1",VQXBOEYKSVVPSP-UHFFFAOYSA-N,C19H15BF4,330.1,330.1202933,,0,215,0,0,5,3,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRIPHENYLMETHYLIUM HEXAFLUOROPHOSPHATE(1-),000437-17-2,2723954,diphenylmethylbenzene hexafluorophosphate,C1=CC=C(C=C1)[C+](C2=CC=CC=C2)C3=CC=CC=C3.F[P-](F)(F)(F)(F)F,"InChI=1S/C19H15.F6P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7(2,3,4,5)6/h1-15H;/q+1;-1",IBTFOFOFRZKIJU-UHFFFAOYSA-N,C19H15F6P,388.3,388.0815565,,0,259,0,0,7,3,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRIPHENYLCARBENIUM HEXACHLOROANTIMONATE,001586-91-0,16688166,diphenylmethylbenzene;hexachloroantimony(1-),C1=CC=C(C=C1)[C+](C2=CC=CC=C2)C3=CC=CC=C3.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl,InChI=1S/C19H15.6ClH.Sb/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;;/h1-15H;6*1H;/q+1;;;;;;;+5/p-6,GASWLBDVMZXHOP-UHFFFAOYSA-H,C19H15Cl6Sb,577.8,575.83135,,0,259,0,0,1,3,26,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,3-QUINOXALINEDIONE, 6-CHLORO-1,4-DIHYDRO-",006639-79-8,81143,"6-chloro-1,4-dihydroquinoxaline-2,3-dione",C1=CC2=C(C=C1Cl)NC(=O)C(=O)N2,"InChI=1S/C8H5ClN2O2/c9-4-1-2-5-6(3-4)11-8(13)7(12)10-5/h1-3H,(H,10,12)(H,11,13)",RNOLFZACEWWIHP-UHFFFAOYSA-N,C8H5ClN2O2,196.59,196.0039551,0.8,58.2,257,0,2,2,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6-Quinoxalinecarbonitrile, 1,2,3,4-tetrahydro-7-nitro-2,3-dioxo-",115066-14-3,3721046,"7-nitro-2,3-dioxo-1,4-dihydroquinoxaline-6-carbonitrile",C1=C(C(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-])C#N,"InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15)",RPXVIAFEQBNEAX-UHFFFAOYSA-N,C9H4N4O4,232.15,232.0232546,0,128,434,0,2,5,0,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-IMIDAZOLIUM, 1-ETHYL-2-HEPTADECYL-4,5-DIHYDRO-1-(2-HYDROXYETHYL)-, ETHYL SU",025141-05-3,91291,"2-(1-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol;ethyl sulfate",CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CC)CCO.CCOS(=O)(=O)[O-],"InChI=1S/C24H49N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25-20-21-26(24,4-2)22-23-27;1-2-6-7(3,4)5/h27H,3-23H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",KPDCZDUZLORUDD-UHFFFAOYSA-M,C26H54N2O5S,506.8,506.375344,,107,473,0,1,6,20,34,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-IMIDAZOLIUM, 1-ETHYL-4,5-DIHYDRO-1-(2-HYDROXYETHYL)-2-ISOHEPTADECYL-, ETHYL",067633-57-2,105486,"2-[1-ethyl-2-(15-methylhexadecyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol;ethyl sulfate",CC[N+]1(CCN=C1CCCCCCCCCCCCCCC(C)C)CCO.CCOS(=O)(=O)[O-],"InChI=1S/C24H49N2O.C2H6O4S/c1-4-26(21-22-27)20-19-25-24(26)18-16-14-12-10-8-6-5-7-9-11-13-15-17-23(2)3;1-2-6-7(3,4)5/h23,27H,4-22H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",ZLIUGCVPPWCSGV-UHFFFAOYSA-M,C26H54N2O5S,506.8,506.375344,,107,484,0,1,6,19,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-IMIDAZOLIUM, 1-ETHYL-2-(8-HEPTADECENYL)-4,5-DIHYDRO-1-[2-[(1-OXO-9-OCTADECE",067846-14-4,20838817,"(Z)-N-[2-[1-ethyl-2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethyl]octadec-9-enamide;ethyl sulfate",CCCCCCCC/C=C\CCCCCCCC1=NCC[N+]1(CC)CCNC(=O)CCCCCCC/C=C\CCCCCCCC.CCOS(=O)(=O)[O-],"InChI=1S/C42H79N3O.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-43-37-39-45(41,6-3)40-38-44-42(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h19-22H,4-18,23-40H2,1-3H3;2H2,1H3,(H,3,4,5)/b21-19-,22-20-;",RUYPFPITFAOONF-JDVCJPALSA-N,C44H85N3O5S,768.2,767.620994,,116,877,0,1,6,35,53,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-IMIDAZOLIUM, 1-(CARBOXYMETHYL)-4,5-DIHYDRO-1-(2-HYDROXYETHYL)-2-UNDECYL-, H",026837-33-2,117870,"sodium;2-[1-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]acetate;hydroxide",CCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)[O-].[OH-].[Na+],"InChI=1S/C18H34N2O3.Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-17-19-12-13-20(17,14-15-21)16-18(22)23;;/h21H,2-16H2,1H3;;1H2/q;+1;/p-1",GOJYXPWOUJYXJC-UHFFFAOYSA-M,C18H35N2NaO4,366.5,366.2494519,,73.7,366,0,2,5,13,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"o-Anisamide, N-((1-ethyl-2-pyrrolidinyl)methyl)-5-(ethylsulfonyl)-",053583-79-2,5357,N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide,CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)CC)OC,"InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)",UNRHXEPDKXPRTM-UHFFFAOYSA-N,C17H26N2O4S,354.5,354.1613285,1.6,84.1,517,0,1,5,7,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"o-Anisamide, N-((1-ethyl-2-pyrrolidinyl)methyl)-5-sulfamoyl-",015676-16-1,5355,N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide,CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC,"InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)",BGRJTUBHPOOWDU-UHFFFAOYSA-N,C15H23N3O4S,341.4,341.1409274,0.6,110,505,0,2,6,6,23,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Benzamide, N-((1-ethyl-2-pyrrolidinyl)methyl)-5-(ethylsulfonyl)-2-methoxy-, hy",055619-22-2,3082221,N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide;hydrochloride,CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)CC)OC.Cl,"InChI=1S/C17H26N2O4S.ClH/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3;/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20);1H",IGOWMQPOGQYFFM-UHFFFAOYSA-N,C17H27ClN2O4S,390.9,390.1380062,,84.1,517,0,2,5,7,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, 4-amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-5-(ethylsulfonyl)-2-methoxy-",71675-85-9,2159,4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide,CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC,"InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)",NTJOBXMMWNYJFB-UHFFFAOYSA-N,C17H27N3O4S,369.5,369.1722275,1.5,110,549,0,2,6,7,25,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"PYRIDINIUM, 1-[2-[[4-[(2-CHLORO-4-NITROPHENYL)AZO]PHENYL]ETHYLAMINO]ETHYL]-, A",059709-10-3,162887,4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline acetate,CCN(CC[N+]1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl.CC(=O)[O-],"InChI=1S/C21H21ClN5O2.C2H4O2/c1-2-26(15-14-25-12-4-3-5-13-25)18-8-6-17(7-9-18)23-24-21-11-10-19(27(28)29)16-20(21)22;1-2(3)4/h3-13,16H,2,14-15H2,1H3;1H3,(H,3,4)/q+1;/p-1",WQIDMVKHMHGZPN-UHFFFAOYSA-M,C23H24ClN5O4,469.9,469.151682,,118,555,0,0,7,7,33,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"PYRIDINIUM, 1-[2-[[4-[(2,6-DICHLORO-4-NITROPHENYL)AZO]PHENYL]ETHYLAMINO]ETHYL]",014408-20-9,84416,"4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline chloride",CCN(CC[N+]1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3Cl)[N+](=O)[O-])Cl.[Cl-],"InChI=1S/C21H20Cl2N5O2.ClH/c1-2-27(13-12-26-10-4-3-5-11-26)17-8-6-16(7-9-17)24-25-21-19(22)14-18(28(29)30)15-20(21)23;/h3-11,14-15H,2,12-13H2,1H3;1H/q+1;/p-1",LPOFSFJHFNJPBD-UHFFFAOYSA-M,C21H20Cl3N5O2,480.8,479.068258,,77.7,550,0,0,6,7,31,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"PYRIDINIUM, 1-[2-[[4-[(2,6-DICHLORO-4-NITROPHENYL)AZO]PHENYL]ETHYLAMINO]ETHYL]",059709-07-8,173693,"4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline acetate",CCN(CC[N+]1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3Cl)[N+](=O)[O-])Cl.CC(=O)[O-],"InChI=1S/C21H20Cl2N5O2.C2H4O2/c1-2-27(13-12-26-10-4-3-5-11-26)17-8-6-16(7-9-17)24-25-21-19(22)14-18(28(29)30)15-20(21)23;1-2(3)4/h3-11,14-15H,2,12-13H2,1H3;1H3,(H,3,4)/q+1;/p-1",RDYVMOQUBHURJY-UHFFFAOYSA-M,C23H23Cl2N5O4,504.4,503.1127096,,118,576,0,0,7,7,34,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"PYRIDINIUM, 1-[2-[[4-[(2-CHLORO-4-NITROPHENYL)AZO]PHENYL]ETHYLAMINO]ETHYL]-, C",036986-04-6,162236,4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline chloride,CCN(CC[N+]1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl.[Cl-],"InChI=1S/C21H21ClN5O2.ClH/c1-2-26(15-14-25-12-4-3-5-13-25)18-8-6-17(7-9-18)23-24-21-11-10-19(27(28)29)16-20(21)22;/h3-13,16H,2,14-15H2,1H3;1H/q+1;/p-1",WJRAWLJYIVLGHB-UHFFFAOYSA-M,C21H21Cl2N5O2,446.3,445.1072303,,77.7,530,0,0,6,7,30,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Methanesulfonamide, N-(4-(2-(methyl(2-(4-((methylsulfonyl)amino)phenoxy)ethyl)",115256-11-6,71329,N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide,CN(CCC1=CC=C(C=C1)NS(=O)(=O)C)CCOC2=CC=C(C=C2)NS(=O)(=O)C,"InChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3",IXTMWRCNAAVVAI-UHFFFAOYSA-N,C19H27N3O5S2,441.6,441.1392133,1.8,122,672,0,2,8,11,29,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Benzeneacetic acid, 4-(2-((2-hydroxy-2-phenylethyl)amino)ethoxy)-, hydrochloride, (R)-",178600-17-4,158793,2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethoxy]phenyl]acetic acid;hydrochloride,C1=CC=C(C=C1)[C@H](CNCCOC2=CC=C(C=C2)CC(=O)O)O.Cl,"InChI=1S/C18H21NO4.ClH/c20-17(15-4-2-1-3-5-15)13-19-10-11-23-16-8-6-14(7-9-16)12-18(21)22;/h1-9,17,19-20H,10-13H2,(H,21,22);1H/t17-;/m0./s1",KCEFVYIWOQSJCH-LMOVPXPDSA-N,C18H22ClNO4,351.8,351.1237359,,78.8,336,0,4,5,9,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1
"BENZOXAZOLIUM, 3-ETHYL-2-METHYL-, IODIDE",005260-37-7,21331,"3-ethyl-2-methyl-1,3-benzoxazol-3-ium iodide",CC[N+]1=C(OC2=CC=CC=C21)C.[I-],"InChI=1S/C10H12NO.HI/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;/h4-7H,3H2,1-2H3;1H/q+1;/p-1",UZWYLWSUBQEUMC-UHFFFAOYSA-M,C10H12INO,289.11,288.99636,,17,160,0,0,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOXAZOLIUM, 3-HEXYL-2-METHYL-, IODIDE",054443-90-2,108593,"3-hexyl-2-methyl-1,3-benzoxazol-3-ium iodide",CCCCCC[N+]1=C(OC2=CC=CC=C21)C.[I-],"InChI=1S/C14H20NO.HI/c1-3-4-5-8-11-15-12(2)16-14-10-7-6-9-13(14)15;/h6-7,9-10H,3-5,8,11H2,1-2H3;1H/q+1;/p-1",JODPCJBSBVRLEF-UHFFFAOYSA-M,C14H20INO,345.22,345.05896,,17,207,0,0,2,5,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOXAZOLIUM, 2-METHYL-3-(3-SULFOPROPYL)-, INNER SALT",054443-97-9,108595,"3-(2-methyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonate",CC1=[N+](C2=CC=CC=C2O1)CCCS(=O)(=O)[O-],"InChI=1S/C11H13NO4S/c1-9-12(7-4-8-17(13,14)15)10-5-2-3-6-11(10)16-9/h2-3,5-6H,4,7-8H2,1H3",VGMUYGXTYXTNNL-UHFFFAOYSA-N,C11H13NO4S,255.29,255.0565291,1.4,82.6,338,0,0,4,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DIAZENE, BIS(2-CHLOROPHENYL)-, 1-OXIDE",013556-84-8,83576,(2-chlorophenyl)-(2-chlorophenyl)imino-oxidoazanium,C1=CC=C(C(=C1)N=[N+](C2=CC=CC=C2Cl)[O-])Cl,InChI=1S/C12H8Cl2N2O/c13-9-5-1-3-7-11(9)15-16(17)12-8-4-2-6-10(12)14/h1-8H,NKUNBLUACJUHOA-UHFFFAOYSA-N,C12H8Cl2N2O,267.11,266.0013683,4.4,41.1,286,0,0,2,2,17,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Azoxybenzene, 4,4'-dichloro-",614-26-6,11960,(4-chlorophenyl)-(4-chlorophenyl)imino-oxidoazanium,C1=CC(=CC=C1N=[N+](C2=CC=C(C=C2)Cl)[O-])Cl,InChI=1S/C12H8Cl2N2O/c13-9-1-5-11(6-2-9)15-16(17)12-7-3-10(14)4-8-12/h1-8H,NMAZIJPSESMWSA-UHFFFAOYSA-N,C12H8Cl2N2O,267.11,266.0013683,4.4,41.1,270,0,0,2,2,17,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
AZOXYBENZENE,000495-48-7,10316,oxido-phenyl-phenyliminoazanium,C1=CC=C(C=C1)N=[N+](C2=CC=CC=C2)[O-],InChI=1S/C12H10N2O/c15-14(12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10H,GAUZCKBSTZFWCT-UHFFFAOYSA-N,C12H10N2O,198.22,198.0793129,3.1,41.1,216,0,0,2,2,15,,"Decomposes (NTP, 1992)",0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
18-CROWN-6,017455-13-9,28557,"1,4,7,10,13,16-hexaoxacyclooctadecane",C1COCCOCCOCCOCCOCCO1,InChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2,XEZNGIUYQVAUSS-UHFFFAOYSA-N,C12H24O6,264.31,264.1572885,-0.7,55.4,108,0,0,6,0,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 2-[(2-PROPENYLOXY) METHYL]",084812-04-4,13070592,"2-(prop-2-enoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane",C=CCOCC1COCCOCCOCCOCCOCCO1,"InChI=1S/C16H30O7/c1-2-3-21-14-16-15-22-11-10-19-7-6-17-4-5-18-8-9-20-12-13-23-16/h2,16H,1,3-15H2",PVEMXXSASUDFKJ-UHFFFAOYSA-N,C16H30O7,334.4,334.1991533,-0.3,64.6,263,0,0,7,4,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
2-HYDROXYMETHYL-18-CROWN-6,070069-04-4,3611393,"1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanol",C1COCCOCCOC(COCCOCCO1)CO,"InChI=1S/C13H26O7/c14-11-13-12-19-8-7-17-4-3-15-1-2-16-5-6-18-9-10-20-13/h13-14H,1-12H2",HFRGASADQCZXHH-UHFFFAOYSA-N,C13H26O7,294.34,294.1678532,-1.5,75.6,203,0,1,7,1,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
UROFOLLITROPIN,097048-13-0,73759969,"(2R)-1-[(4S,7S,10S,16R,19S)-19-amino-7-(2-amino-2-oxoethyl)-13-[(2R)-butan-2-yl]-10-[(1S)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide",CC[C@@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CSSC[C@H](C(=O)N[C@@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@@H]3C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)[C@H](C)O,"InChI=1S/C42H65N11O12S2/c1-6-21(4)33-40(63)52-34(22(5)54)41(64)49-28(16-31(44)56)37(60)50-29(19-67-66-18-25(43)35(58)47-27(38(61)51-33)15-23-9-11-24(55)12-10-23)42(65)53-13-7-8-30(53)39(62)48-26(14-20(2)3)36(59)46-17-32(45)57/h9-12,20-22,25-30,33-34,54-55H,6-8,13-19,43H2,1-5H3,(H2,44,56)(H2,45,57)(H,46,59)(H,47,58)(H,48,62)(H,49,64)(H,50,60)(H,51,61)(H,52,63)/t21-,22+,25-,26-,27-,28+,29-,30-,33?,34+/m1/s1",ZDRRIRUAESZNIH-JLSAMJFVSA-N,C42H65N11O12S2,980.2,979.4255589,-1.5,427,1790,0,12,15,15,67,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Oxytocin, 1-(3-mercaptopropanoic acid)-2-(O-ethyl-D-tyrosine)-4-L-threonine-8-",090779-69-4,5311010,"(2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16R)-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide",CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSCCC(=O)N[C@@H](C(=O)N1)CC2=CC=C(C=C2)OCC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N)CC(=O)N)[C@@H](C)O,"InChI=1S/C43H67N11O12S2/c1-5-23(3)35-41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21-33(46)57)22-68-67-18-15-34(58)48-28(39(61)52-35)19-25-11-13-26(14-12-25)66-6-2/h11-14,23-24,27-31,35-36,55H,5-10,15-22,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,59)(H,48,58)(H,49,62)(H,50,64)(H,51,60)(H,52,61)(H,53,63)/t23-,24+,27-,28+,29-,30-,31-,35-,36-/m0/s1",VWXRQYYUEIYXCZ-OBIMUBPZSA-N,C43H67N11O12S2,994.2,993.441209,-1.9,416,1770,0,11,15,18,68,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Oxytocin, 8-L-arginine-",000113-80-4,10034060,"(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide",CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N,"InChI=1S/C43H67N15O12S2/c1-3-21(2)34-41(69)53-26(12-13-31(45)60)37(65)55-28(17-32(46)61)38(66)56-29(20-72-71-19-24(44)35(63)54-27(39(67)57-34)16-22-8-10-23(59)11-9-22)42(70)58-15-5-7-30(58)40(68)52-25(6-4-14-50-43(48)49)36(64)51-18-33(47)62/h8-11,21,24-30,34,59H,3-7,12-20,44H2,1-2H3,(H2,45,60)(H2,46,61)(H2,47,62)(H,51,64)(H,52,68)(H,53,69)(H,54,63)(H,55,65)(H,56,66)(H,57,67)(H4,48,49,50)/t21-,24-,25-,26-,27-,28-,29-,30-,34-/m0/s1",OXDZADMCOWPSOC-BQGUCLBMSA-N,C43H67N15O12S2,1050.2,1049.453505,-5.1,515,1990,0,14,16,19,72,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
EPIANDROSTERONE,000481-29-8,441302,"(3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one",C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-/m0/s1",QGXBDMJGAMFCBF-LUJOEAJASA-N,C19H30O2,290.4,290.2245802,3.7,37.3,458,0,1,2,0,21,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Androsten-17-one, 3-beta-hydroxy-, acetate",001239-31-2,908740,"[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate",CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)C,"InChI=1S/C21H32O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h14-18H,4-12H2,1-3H3/t14-,15-,16-,17-,18-,20-,21-/m0/s1",FDCINQSOYQUNKB-HGDYXINXSA-N,C21H32O3,332.5,332.2351449,4.3,43.4,555,0,0,3,2,24,,,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ANDROSTERONE,000053-41-8,5879,"(3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one",C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1",QGXBDMJGAMFCBF-HLUDHZFRSA-N,C19H30O2,290.4,290.2245802,3.7,37.3,458,0,1,2,0,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"Estran-17-one, 3-hydroxy-, (3-alpha,5-alpha)-",1225-01-0,9548753,"(3R,5S,8R,9R,10S,13S,14S)-3-hydroxy-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-one",C[C@]12CC[C@@H]3[C@H]4CC[C@H](C[C@@H]4CC[C@H]3[C@@H]1CCC2=O)O,"InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-16,19H,2-10H2,1H3/t11-,12+,13-,14+,15+,16-,18-/m0/s1",UOUIARGWRPHDBX-CQZDKXCPSA-N,C18H28O2,276.4,276.2089301,3.3,37.3,418,0,1,2,0,20,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
(+)-BOLDINE,000476-70-0,10154,"(6aS)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol",CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)OC)O,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",LZJRNLRASBVRRX-ZDUSSCGKSA-N,C19H21NO4,327.4,327.1470582,2.7,62.2,461,0,2,5,2,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"6a-beta-Aporphine, 1,2-dimethoxy-",475-83-2,10146,"(6aR)-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline",CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=CC=C43)OC)OC,"InChI=1S/C19H21NO2/c1-20-9-8-13-11-16(21-2)19(22-3)18-14-7-5-4-6-12(14)10-15(20)17(13)18/h4-7,11,15H,8-10H2,1-3H3/t15-/m1/s1",ORJVQPIHKOARKV-OAHLLOKOSA-N,C19H21NO2,295.4,295.1572289,3.4,21.7,401,0,0,3,2,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-Dibenzo(de,g)quinoline-1,9-diol, 5,6,6a,7-tetrahydro-2,10-dimethoxy-, (6aS)-",23599-69-1,14539911,"(6aS)-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,9-diol",COC1=C(C2=C3[C@H](CC4=CC(=C(C=C42)OC)O)NCCC3=C1)O,"InChI=1S/C18H19NO4/c1-22-14-8-11-10(6-13(14)20)5-12-16-9(3-4-19-12)7-15(23-2)18(21)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1",HORZNQYQXBFWNZ-LBPRGKRZSA-N,C18H19NO4,313.3,313.1314081,2.3,71,433,0,3,5,2,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 3,9-dihydroxy-2-(3-methyl-2-butenyl)-",18642-23-4,5281806,"3,9-dihydroxy-2-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one",CC(=CCC1=CC2=C(C=C1O)OC(=O)C3=C2OC4=C3C=CC(=C4)O)C,"InChI=1S/C20H16O5/c1-10(2)3-4-11-7-14-17(9-15(11)22)25-20(23)18-13-6-5-12(21)8-16(13)24-19(14)18/h3,5-9,21-22H,4H2,1-2H3",YABIJLLNNFURIJ-UHFFFAOYSA-N,C20H16O5,336.3,336.0997736,4.7,79.9,554,0,2,5,2,25,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 3,9-bis(acetyloxy)-",35826-57-4,250817,"(3-acetyloxy-6-oxo-[1]benzofuro[3,2-c]chromen-9-yl) acetate",CC(=O)OC1=CC2=C(C=C1)C3=C(O2)C4=C(C=C(C=C4)OC(=O)C)OC3=O,"InChI=1S/C19H12O7/c1-9(20)23-11-3-5-13-15(7-11)25-18-14-6-4-12(24-10(2)21)8-16(14)26-19(22)17(13)18/h3-8H,1-2H3",AHOLUZZXIVWXQQ-UHFFFAOYSA-N,C19H12O7,352.3,352.0583027,3,92,603,0,0,7,4,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 1,8,9-trihydroxy-3-methoxy-",524-12-9,5281813,"1,8,9-trihydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one",COC1=CC(=C2C(=C1)OC(=O)C3=C2OC4=CC(=C(C=C43)O)O)O,"InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3",XQDCKJKKMFWXGB-UHFFFAOYSA-N,C16H10O7,314.25,314.0426527,2.4,109,483,0,3,7,1,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"(1R,9S)-B-HYDRASTINE FREE BASE",000118-08-1,197835,"(3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one",CN1CCC2=CC3=C(C=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3,"InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m1/s1",JZUTXVTYJDCMDU-MOPGFXCFSA-N,C21H21NO6,383.4,383.1368874,2.7,66.5,601,0,0,7,3,28,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1(3H)Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, hydrochloride, (S-(R*,S*))-",912-60-7,9933439,"(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one;hydrochloride",CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3.Cl,"InChI=1S/C22H23NO7.ClH/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18;/h5-6,9,17-18H,7-8,10H2,1-4H3;1H/t17-,18+;/m1./s1",MFLVZFXCSKVCSH-URBRKQAFSA-N,C22H24ClNO7,449.9,449.1241298,,75.7,647,0,1,8,4,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (R-(R*,R*))-",3860-46-6,31411,"(3R)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one",CN1CCC2=CC3=C(C(=C2[C@@H]1[C@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3,"InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18-/m1/s1",AKNNEGZIBPJZJG-QZTJIDSGSA-N,C22H23NO7,413.4,413.1474521,2.7,75.7,647,0,0,8,4,30,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIOXOLANE, 4-METHYL-2-PHENYL-",002568-25-4,595928,"4-methyl-2-phenyl-1,3-dioxolane",CC1COC(O1)C2=CC=CC=C2,"InChI=1S/C10H12O2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3",CDIKGISJRLTLRA-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,1.8,18.5,141,0,0,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Dioxolane-4-methanol, 2-methyl-2-phenyl-",4361-60-8,20371,"(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methanol",CC1(OCC(O1)CO)C2=CC=CC=C2,"InChI=1S/C11H14O3/c1-11(9-5-3-2-4-6-9)13-8-10(7-12)14-11/h2-6,10,12H,7-8H2,1H3",LYQZNMYSUIDIML-UHFFFAOYSA-N,C11H14O3,194.23,194.0942943,0.9,38.7,189,0,1,3,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-BROMOBENZALDEHYDE ETHYLENE ACETAL,034824-58-3,553534,"2-(2-bromophenyl)-1,3-dioxolane",C1COC(O1)C2=CC=CC=C2Br,"InChI=1S/C9H9BrO2/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4,9H,5-6H2",IWSGKSUCFVOWQU-UHFFFAOYSA-N,C9H9BrO2,229.07,227.97859,2,18.5,145,0,0,2,1,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(1S,4AR,5S,7AS)-1,4A,5,7A-TETRAHYDRO-5-HYDROXY-7-(HYDROXYMETHYL)CYCLOPENTA[C]PYRAN-1-YL BETA-D-GLUCOPYRANOSIDE",000479-98-1,91458,"(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol",C1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,"InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1",RJWJHRPNHPHBRN-FKVJWERZSA-N,C15H22O9,346.33,346.1263823,-3,149,507,0,6,9,4,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)-, (1S,4aS,5S,7aS)-",14259-55-3,12315350,"(1S,4aS,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid",C1=C([C@@H]2[C@H]([C@H]1O)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)CO,"InChI=1S/C16H22O11/c17-2-5-1-7(19)10-6(14(23)24)4-25-15(9(5)10)27-16-13(22)12(21)11(20)8(3-18)26-16/h1,4,7-13,15-22H,2-3H2,(H,23,24)/t7-,8+,9+,10-,11+,12-,13+,15-,16-/m0/s1",ZVXWFPTVHBWJOU-YYFGDFGFSA-N,C16H22O11,390.34,390.1162115,-3.8,186,632,0,7,11,5,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, methyl ester, (1S,4aS,7aS)-",24512-63-8,107848,"methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate",COC(=O)C1=CO[C@H]([C@H]2[C@@H]1CC=C2CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,"InChI=1S/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h2,6,8,10-14,16-22H,3-5H2,1H3/t8-,10-,11-,12-,13+,14-,16+,17+/m1/s1",IBFYXTRXDNAPMM-BVTMAQQCSA-N,C17H24O10,388.4,388.136947,-2.3,155,617,0,5,10,6,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pregna-1,4-diene-3,11,20-trione, 21-chloro-9-fluoro-17-hydroxy-16-beta-methyl-",025122-57-0,71386,"[(8S,9R,10S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-10,13,16-trimethyl-3,11-dioxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl] butanoate",CCCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(CC(=O)[C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)C)C)C(=O)CCl,"InChI=1S/C26H32ClFO5/c1-5-6-22(32)33-26(21(31)14-27)15(2)11-19-18-8-7-16-12-17(29)9-10-23(16,3)25(18,28)20(30)13-24(19,26)4/h9-10,12,15,18-19H,5-8,11,13-14H2,1-4H3/t15-,18-,19-,23-,24-,25-,26-/m0/s1",FBRAWBYQGRLCEK-AVVSTMBFSA-N,C26H32ClFO5,479,478.19223,3.8,77.5,987,0,0,6,6,33,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PREDNISONE,000053-03-2,5865,"(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione",C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C,"InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1",XOFYZVNMUHMLCC-ZPOLXVRWSA-N,C21H26O5,358.4,358.1780239,1.5,91.7,764,0,2,5,2,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-16-beta-methyl-",001247-42-3,5284587,"(8S,9S,10R,13S,14S,16S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@H]3C(=O)C[C@@]2([C@]1(C(=O)CO)O)C)C,"InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-16,19,23,27H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,19+,20-,21-,22-/m0/s1",PIDANAQULIKBQS-RNUIGHNZSA-N,C22H28O5,372.5,372.193674,1.9,91.7,795,0,2,5,2,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-, 21-acetate",000125-10-0,91438,"[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate",CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)O,"InChI=1S/C23H28O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-17,20,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1",MOVRKLZUVNCBIP-RFZYENFJSA-N,C23H28O6,400.5,400.1885886,1.5,97.7,869,0,1,6,4,29,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,1,1
"Morpholine, 4-(3,4,5-trimethoxybenzoyl)-",000635-41-6,12478,"morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanone",COC1=CC(=CC(=C1OC)OC)C(=O)N2CCOCC2,"InChI=1S/C14H19NO5/c1-17-11-8-10(9-12(18-2)13(11)19-3)14(16)15-4-6-20-7-5-15/h8-9H,4-7H2,1-3H3",XWVOEFLBOSSYGM-UHFFFAOYSA-N,C14H19NO5,281.3,281.1263227,0.9,57.2,305,0,0,5,4,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
WAX,,6485064,(3-aminophenyl)-morpholin-4-ylmethanone,C1COCCN1C(=O)C2=CC(=CC=C2)N,"InChI=1S/C11H14N2O2/c12-10-3-1-2-9(8-10)11(14)13-4-6-15-7-5-13/h1-3,8H,4-7,12H2",RFFVEVKGZGRRCP-UHFFFAOYSA-N,C11H14N2O2,206.24,206.1055277,0.3,55.6,227,0,1,3,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Morpholine, N-benzoyl-",1468-28-6,15114,morpholin-4-yl(phenyl)methanone,C1COCCN1C(=O)C2=CC=CC=C2,"InChI=1S/C11H13NO2/c13-11(10-4-2-1-3-5-10)12-6-8-14-9-7-12/h1-5H,6-9H2",FLCWYEUDIOQXEB-UHFFFAOYSA-N,C11H13NO2,191.23,191.0946287,0.2,29.5,193,0,0,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzoic acid, o-(morpholinocarbonyl)-",73728-40-2,52295,2-(morpholine-4-carbonyl)benzoic acid,C1COCCN1C(=O)C2=CC=CC=C2C(=O)O,"InChI=1S/C12H13NO4/c14-11(13-5-7-17-8-6-13)9-3-1-2-4-10(9)12(15)16/h1-4H,5-8H2,(H,15,16)",QXNQMHHGQWNYFY-UHFFFAOYSA-N,C12H13NO4,235.24,235.0844579,0.5,66.8,299,0,1,4,2,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5,5-TRIMETHYL-2,4-OXAZOLIDINEDIONE",000127-48-0,5576,"3,5,5-trimethyl-1,3-oxazolidine-2,4-dione",CC1(C(=O)N(C(=O)O1)C)C,InChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3,IRYJRGCIQBGHIV-UHFFFAOYSA-N,C6H9NO3,143.14,143.0582431,0.3,46.6,197,0,0,3,0,10,,,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2,4-Oxazolidinedione, 3-ethyl-5,5-dimethyl-",520-77-4,10630,"3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione",CCN1C(=O)C(OC1=O)(C)C,"InChI=1S/C7H11NO3/c1-4-8-5(9)7(2,3)11-6(8)10/h4H2,1-3H3",SIGSNYAYBSJATD-UHFFFAOYSA-N,C7H11NO3,157.17,157.0738932,0.7,46.6,210,0,0,3,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,4-Oxazolidinedione, 5-ethyl-3,5-dimethyl-",000115-67-3,8280,"5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione",CCC1(C(=O)N(C(=O)O1)C)C,"InChI=1S/C7H11NO3/c1-4-7(2)5(9)8(3)6(10)11-7/h4H2,1-3H3",VQASKUSHBVDKGU-UHFFFAOYSA-N,C7H11NO3,157.17,157.0738932,0.8,46.6,214,0,0,3,1,11,,101 to 102 °C at 11.3 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"1,3-Diazaspiro(4.5)decane-2,4-dione, 8-methyl-",707-17-5,12817,"8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione",CC1CCC2(CC1)C(=O)NC(=O)N2,"InChI=1S/C9H14N2O2/c1-6-2-4-9(5-3-6)7(12)10-8(13)11-9/h6H,2-5H2,1H3,(H2,10,11,12,13)",YDHFGMUUNFASMP-UHFFFAOYSA-N,C9H14N2O2,182.22,182.1055277,0.8,58.2,254,0,2,2,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Diazaspiro(4.5)decane-2,4-dione, 6-methyl-",,227660,"6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione",CC1CCCCC12C(=O)NC(=O)N2,"InChI=1S/C9H14N2O2/c1-6-4-2-3-5-9(6)7(12)10-8(13)11-9/h6H,2-5H2,1H3,(H2,10,11,12,13)",ZWONRJVAXSOJSB-UHFFFAOYSA-N,C9H14N2O2,182.22,182.1055277,1,58.2,264,0,2,2,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Diazaspiro(4.5)decane-2,4-dione, 1-methyl-",878-46-6,13423,"1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione",CN1C(=O)NC(=O)C12CCCCC2,"InChI=1S/C9H14N2O2/c1-11-8(13)10-7(12)9(11)5-3-2-4-6-9/h2-6H2,1H3,(H,10,12,13)",BVGOFWCNHZHTHW-UHFFFAOYSA-N,C9H14N2O2,182.22,182.1055277,0.7,49.4,256,0,1,2,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIOXANE, 4-PHENYL-",000772-00-9,92840,"4-phenyl-1,3-dioxane",C1COCOC1C2=CC=CC=C2,"InChI=1S/C10H12O2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-5,10H,6-8H2",RCJRILMVFLGCJY-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,1.7,18.5,130,0,0,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIOXANE, 2,4,6-TRIMETHYL-4-PHENYL-",005182-36-5,107381,"2,4,6-trimethyl-4-phenyl-1,3-dioxane",CC1CC(OC(O1)C)(C)C2=CC=CC=C2,"InChI=1S/C13H18O2/c1-10-9-13(3,15-11(2)14-10)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3",IEZPIUQRQRWIFE-UHFFFAOYSA-N,C13H18O2,206.28,206.1306798,2.7,18.5,211,0,0,2,1,15,,278.00 to 279.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-DIOXANE, 2,4,5-TRIMETHYL-4-PHENYL-",037922-18-2,162278,"2,4,5-trimethyl-4-phenyl-1,3-dioxane",CC1COC(OC1(C)C2=CC=CC=C2)C,"InChI=1S/C13H18O2/c1-10-9-14-11(2)15-13(10,3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3",HIPJVLQQRRZAQN-UHFFFAOYSA-N,C13H18O2,206.28,206.1306798,2.7,18.5,211,0,0,2,1,15,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Dioxane, 4-methyl-4-phenyl-",1200-73-3,92875,"4-methyl-4-phenyl-1,3-dioxane",CC1(CCOCO1)C2=CC=CC=C2,"InChI=1S/C11H14O2/c1-11(7-8-12-9-13-11)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3",UWMUVCPSXOGVND-UHFFFAOYSA-N,C11H14O2,178.23,178.0993797,1.9,18.5,163,0,0,2,1,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3(2H)-THIOPHENONE, DIHYDRO-",001003-04-9,61252,thiolan-3-one,C1CSCC1=O,InChI=1S/C4H6OS/c5-4-1-2-6-3-4/h1-3H2,DSXFPRKPFJRPIB-UHFFFAOYSA-N,C4H6OS,102.16,102.013936,0.4,42.4,69,0,0,2,0,6,,175.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-THIOPHENECARBOXYLIC ACID, TETRAHYDRO-3-OXO-, METHYL ESTER",002689-69-2,102870,methyl 3-oxothiolane-2-carboxylate,COC(=O)C1C(=O)CCS1,"InChI=1S/C6H8O3S/c1-9-6(8)5-4(7)2-3-10-5/h5H,2-3H2,1H3",TUSSXVYKOOVOID-UHFFFAOYSA-N,C6H8O3S,160.19,160.0194153,0.5,68.7,166,0,0,4,2,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-THIOPHENECARBOXYLIC ACID, TETRAHYDRO-4-OXO-, METHYL ESTER",002689-68-1,98424,methyl 4-oxothiolane-3-carboxylate,COC(=O)C1CSCC1=O,"InChI=1S/C6H8O3S/c1-9-6(8)4-2-10-3-5(4)7/h4H,2-3H2,1H3",LEAKUJFYXNILRB-UHFFFAOYSA-N,C6H8O3S,160.19,160.0194153,0.5,68.7,166,0,0,4,2,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FERROZINE MONOHYDRATE,063451-29-6,71311205,"sodium;4-[3-pyridin-2-yl-6-(4-sulfophenyl)-1,2,4-triazin-5-yl]benzenesulfonate;hydrate",C1=CC=NC(=C1)C2=NC(=C(N=N2)C3=CC=C(C=C3)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)[O-].O.[Na+],"InChI=1S/C20H14N4O6S2.Na.H2O/c25-31(26,27)15-8-4-13(5-9-15)18-19(14-6-10-16(11-7-14)32(28,29)30)23-24-20(22-18)17-3-1-2-12-21-17;;/h1-12H,(H,25,26,27)(H,28,29,30);;1H2/q;+1;/p-1",MBOKSYFCYXIJRZ-UHFFFAOYSA-M,C20H15N4NaO7S2,510.5,510.0279855,,181,834,0,2,11,5,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FERROZINE,069898-45-9,23662871,"sodium 4-[3-pyridin-2-yl-6-(4-sulfophenyl)-1,2,4-triazin-5-yl]benzenesulfonate",C1=CC=NC(=C1)C2=NC(=C(N=N2)C3=CC=C(C=C3)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)[O-].[Na+],"InChI=1S/C20H14N4O6S2.Na/c25-31(26,27)15-8-4-13(5-9-15)18-19(14-6-10-16(11-7-14)32(28,29)30)23-24-20(22-18)17-3-1-2-12-21-17;/h1-12H,(H,25,26,27)(H,28,29,30);/q;+1/p-1",ZGVNYCXXBQPDPQ-UHFFFAOYSA-M,C20H13N4NaO6S2,492.5,492.0174208,,180,834,0,1,10,5,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-(3-(2-PYRIDYL)-TRIAZINE-5,6-DIYL)DIBENZENESULFONIC ACID, DISODIUM SALT",028048-33-1,34127,"disodium;4-[3-pyridin-2-yl-6-(4-sulfonatophenyl)-1,2,4-triazin-5-yl]benzenesulfonate",C1=CC=NC(=C1)C2=NC(=C(N=N2)C3=CC=C(C=C3)S(=O)(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C20H14N4O6S2.2Na/c25-31(26,27)15-8-4-13(5-9-15)18-19(14-6-10-16(11-7-14)32(28,29)30)23-24-20(22-18)17-3-1-2-12-21-17;;/h1-12H,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",DDIHLFCSEHAOJZ-UHFFFAOYSA-L,C20H12N4Na2O6S2,514.4,513.999365,,183,800,0,0,10,3,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZONITRILE, 4-(5-PROPYL-1,3-DIOXAN-2-YL)-, TRANS-",074240-64-5,173265,"4-(5-propyl-1,3-dioxan-2-yl)benzonitrile",CCCC1COC(OC1)C2=CC=C(C=C2)C#N,"InChI=1S/C14H17NO2/c1-2-3-12-9-16-14(17-10-12)13-6-4-11(8-15)5-7-13/h4-7,12,14H,2-3,9-10H2,1H3",GQPFCPRCGONDNN-UHFFFAOYSA-N,C14H17NO2,231.29,231.1259288,2.7,42.3,267,0,0,3,3,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-DIOXANE, 2,5,5-TRIMETHYL-2-PHENYL-",005406-58-6,79409,"2,5,5-trimethyl-2-phenyl-1,3-dioxane",CC1(COC(OC1)(C)C2=CC=CC=C2)C,"InChI=1S/C13H18O2/c1-12(2)9-14-13(3,15-10-12)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3",AALXTPRRKXUUOM-UHFFFAOYSA-N,C13H18O2,206.28,206.1306798,2.7,18.5,207,0,0,2,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"m-Dioxane-5,5-dimethanol, 2-phenyl-",2425-41-4,17042,"[5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methanol",C1C(COC(O1)C2=CC=CC=C2)(CO)CO,"InChI=1S/C12H16O4/c13-6-12(7-14)8-15-11(16-9-12)10-4-2-1-3-5-10/h1-5,11,13-14H,6-9H2",DHWCGYXHBIWIPM-UHFFFAOYSA-N,C12H16O4,224.25,224.104859,0.1,58.9,199,0,2,4,3,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-DIOXAN-5-OL, 2-PHENYL-",001708-40-3,74362,"2-phenyl-1,3-dioxan-5-ol",C1C(COC(O1)C2=CC=CC=C2)O,"InChI=1S/C10H12O3/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2",BWKDAAFSXYPQOS-UHFFFAOYSA-N,C10H12O3,180.2,180.0786442,0.7,38.7,146,0,1,3,1,13,,185.00 °C. @ 20.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEETHANAMINE, N-PHENYL-",001739-00-0,74443,N-(2-phenylethyl)aniline,C1=CC=C(C=C1)CCNC2=CC=CC=C2,"InChI=1S/C14H15N/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h1-10,15H,11-12H2",REUFZACIJMPYOK-UHFFFAOYSA-N,C14H15N,197.27,197.1204495,3.9,12,155,0,1,1,4,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHENETRICARBONITRILE, [4-[BUTYL(2-PHENYLETHYL)AMINO]PHENYL]-",097460-76-9,19881026,"2-[4-[butyl(2-phenylethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile",CCCCN(CCC1=CC=CC=C1)C2=CC=C(C=C2)C(=C(C#N)C#N)C#N,"InChI=1S/C23H22N4/c1-2-3-14-27(15-13-19-7-5-4-6-8-19)22-11-9-20(10-12-22)23(18-26)21(16-24)17-25/h4-12H,2-3,13-15H2,1H3",TVMZZRBABRWPFV-UHFFFAOYSA-N,C23H22N4,354.4,354.1844467,4.8,74.6,618,0,0,4,8,27,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Alanine, N-(2,4-dinitrophenyl)-3-phenyl-, DL-",,98119,"2-(2,4-dinitroanilino)-3-phenylpropanoic acid",C1=CC=C(C=C1)CC(C(=O)O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C15H13N3O6/c19-15(20)13(8-10-4-2-1-3-5-10)16-12-7-6-11(17(21)22)9-14(12)18(23)24/h1-7,9,13,16H,8H2,(H,19,20)",HJQHTLAEPSKXQJ-UHFFFAOYSA-N,C15H13N3O6,331.28,331.0804351,3.7,141,469,0,2,7,5,24,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2-(phenethylamino)-",23049-93-6,31635,2-(2-phenylethylamino)benzoic acid,C1=CC=C(C=C1)CCNC2=CC=CC=C2C(=O)O,"InChI=1S/C15H15NO2/c17-15(18)13-8-4-5-9-14(13)16-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2,(H,17,18)",HLNLBEFKHHCAMV-UHFFFAOYSA-N,C15H15NO2,241.28,241.1102787,4,49.3,261,0,2,3,5,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PHENANTHRENEMETHANAMINE, 1,2,3,4,4A,9,10,10A-OCTAHYDRO-1,4A-DIMETHYL-7-(1-ME",002026-24-6,62418,"[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine;acetic acid",CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CN)C.CC(=O)O,"InChI=1S/C20H31N.C2H4O2/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4;1-2(3)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3;1H3,(H,3,4)/t18-,19-,20+;/m0./s1",BFAQRUGPWJVQDA-WFBUOHSLSA-N,C22H35NO2,345.5,345.2667794,,63.3,407,0,2,3,2,25,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PHENANTHRENEMETHANAMINE, 1,2,3,4,4A,9,10,10A-OCTAHYDRO-1,4A-DIMETHYL-7-(1-ME",001446-61-3,62034,"[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine",CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CN)C,"InChI=1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3/t18-,19-,20+/m0/s1",JVVXZOOGOGPDRZ-SLFFLAALSA-N,C20H31N,285.5,285.24565,5.4,26,376,0,1,1,2,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, (1R,4aS,10aR)-",54113-95-0,14487943,"(1R,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid",C[C@]12CCC[C@@]([C@@H]1CCC3=C2C=CC(=C3)C(C)(C)O)(C)C(=O)O,"InChI=1S/C20H28O3/c1-18(2,23)14-7-8-15-13(12-14)6-9-16-19(15,3)10-5-11-20(16,4)17(21)22/h7-8,12,16,23H,5-6,9-11H2,1-4H3,(H,21,22)/t16-,19-,20-/m1/s1",ILQLITDRYFHAGM-NSISKUIASA-N,C20H28O3,316.4,316.2038448,4.2,57.5,485,0,2,3,2,23,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-PHENANTHRENECARBOXYLIC ACID, 1,2,3,4,4A,9,10,10A-OCTAHYDRO-1,4A-DIMETHYL-7-(",001740-19-8,94391,"(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid",CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)C(=O)O)C,"InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1",NFWKVWVWBFBAOV-MISYRCLQSA-N,C20H28O2,300.4,300.2089301,5.6,37.3,443,0,1,2,2,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,4-THIADIAZOLE-2(3H)-THIONE, 5-(METHYLAMINO)-",027386-01-2,1811587,"5-(methylamino)-3H-1,3,4-thiadiazole-2-thione",CNC1=NNC(=S)S1,"InChI=1S/C3H5N3S2/c1-4-2-5-6-3(7)8-2/h1H3,(H,4,5)(H,6,7)",JMRAYTPNXKJWAX-UHFFFAOYSA-N,C3H5N3S2,147.2,146.9924895,0.7,93.8,141,0,2,3,1,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,4-THIADIAZOLE-2(3H)-THIONE, 5-(METHYLTHIO)-",006264-40-0,1241233,"5-methylsulfanyl-3H-1,3,4-thiadiazole-2-thione",CSC1=NNC(=S)S1,"InChI=1S/C3H4N2S3/c1-7-3-5-4-2(6)8-3/h1H3,(H,4,6)",CFWGYKRJMYXYND-UHFFFAOYSA-N,C3H4N2S3,164.3,163.9536617,1.9,107,141,0,1,4,1,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,4-THIADIAZOLE-2(3H)-THIONE, 5-AMINO-",002349-67-9,2723847,"5-amino-3H-1,3,4-thiadiazole-2-thione",C1(=NNC(=S)S1)N,"InChI=1S/C2H3N3S2/c3-1-4-5-2(6)7-1/h(H2,3,4)(H,5,6)",GDGIVSREGUOIJZ-UHFFFAOYSA-N,C2H3N3S2,133.2,132.9768395,0.3,108,129,0,2,3,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-AZABICYCLO[2.2.2]OCTAN-3-ONE,003731-38-2,19507,1-azabicyclo[2.2.2]octan-3-one,C1CN2CCC1C(=O)C2,"InChI=1S/C7H11NO/c9-7-5-8-3-1-6(7)2-4-8/h6H,1-5H2",ZKMZPXWMMSBLNO-UHFFFAOYSA-N,C7H11NO,125.17,125.084064,0.3,20.3,136,0,0,2,0,9,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-AZABICYCLO[2.2.2]OCTAN-3-ONE, HYDROCHLORIDE",001193-65-3,102019,1-azabicyclo[2.2.2]octan-3-one;hydrochloride,C1CN2CCC1C(=O)C2.Cl,"InChI=1S/C7H11NO.ClH/c9-7-5-8-3-1-6(7)2-4-8;/h6H,1-5H2;1H",RFDPHKHXPMDJJD-UHFFFAOYSA-N,C7H12ClNO,161.63,161.0607417,,20.3,136,0,1,2,0,10,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Azabicyclo(2.2.2)octan-3-one, 2-(hydroxymethyl)-2-(methoxymethyl)-",5291-32-7,52918385,2-(hydroxymethyl)-2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one,COCC1(C(=O)C2CCN1CC2)CO,"InChI=1S/C10H17NO3/c1-14-7-10(6-12)9(13)8-2-4-11(10)5-3-8/h8,12H,2-7H2,1H3",BGBNULCRKBVAKL-UHFFFAOYSA-N,C10H17NO3,199.25,199.1208434,-0.1,49.8,236,0,1,4,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-Azabicyclo(2.2.2)octan-3-one, 2,2-bis(hydroxymethyl)-",,322968,"2,2-bis(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-one",C1CN2CCC1C(=O)C2(CO)CO,"InChI=1S/C9H15NO3/c11-5-9(6-12)8(13)7-1-3-10(9)4-2-7/h7,11-12H,1-6H2",RFBVBRVVOPAAFS-UHFFFAOYSA-N,C9H15NO3,185.22,185.1051933,-0.6,60.8,217,0,2,4,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"CHROMIUM, [3-[(4,5-DIHYDRO-3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4-YL)AZO]-2-HYDROXY-5-NITROBENZENESULPHONATO(3-))-",067352-35-6,163139,chromium(3+);3-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-5-nitro-2-oxidobenzenesulfonate,CC1=NN(C(=C1N=NC2=C(C(=CC(=C2)[N+](=O)[O-])S(=O)(=O)[O-])[O-])[O-])C3=CC=CC=C3.[Cr+3],"InChI=1S/C16H13N5O7S.Cr/c1-9-14(16(23)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(21(24)25)8-13(15(12)22)29(26,27)28;/h2-8,22-23H,1H3,(H,26,27,28);/q;+3/p-3",KNFUQLNKFQGWHN-UHFFFAOYSA-K,C16H10CrN5O7S,468.3,467.970599,,200,705,0,0,10,3,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"CHROMATE(1-), [3-[(4,5-DIHYDRO-3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4-YL)AZO]-2-",085443-67-0,163466,chromium(3+);3-(2-ethylhexoxy)propan-1-amine;hydron;3-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-5-nitro-2-oxidobenzenesulfonate;hydroxide,[H+].CCCCC(CC)COCCCN.CC1=NN(C(=C1N=NC2=C(C(=CC(=C2)[N+](=O)[O-])S(=O)(=O)[O-])[O-])[O-])C3=CC=CC=C3.[OH-].[Cr+3],"InChI=1S/C16H13N5O7S.C11H25NO.Cr.H2O/c1-9-14(16(23)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(21(24)25)8-13(15(12)22)29(26,27)28;1-3-5-7-11(4-2)10-13-9-6-8-12;;/h2-8,22-23H,1H3,(H,26,27,28);11H,3-10,12H2,1-2H3;;1H2/q;;+3;/p-3",KPGQEEWPMQJNDS-UHFFFAOYSA-K,C27H37CrN6O9S,673.7,673.174778,,236,801,0,3,13,12,44,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"CHROMATE(1-), [5-CHLORO-3-[[4,5-DIHYDRO-3-METHYL-5-OXO-1-(3-SULFOPHENYL)-1H-PY",082933-90-2,163350,sodium;5-chloro-3-[[3-methyl-5-oxido-1-(3-sulfonatophenyl)pyrazol-4-yl]diazenyl]-2-oxidobenzenesulfonate;chromium(3+),CC1=NN(C(=C1N=NC2=C(C(=CC(=C2)Cl)S(=O)(=O)[O-])[O-])[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].[Na+].[Cr+3],"InChI=1S/C16H13ClN4O8S2.Cr.Na/c1-8-14(19-18-12-5-9(17)6-13(15(12)22)31(27,28)29)16(23)21(20-8)10-3-2-4-11(7-10)30(24,25)26;;/h2-7,22-23H,1H3,(H,24,25,26)(H,27,28,29);;/q;+3;+1/p-4",HQBKGOCRCWUTTD-UHFFFAOYSA-J,C16H9ClCrN4NaO8S2,559.8,558.885307,,220,850,0,0,11,3,33,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 3-(4-methyl-2-thiazolyl)-",35195-86-9,215202,"3-(4-methyl-1,3-thiazol-2-yl)benzoic acid",CC1=CSC(=N1)C2=CC(=CC=C2)C(=O)O,"InChI=1S/C11H9NO2S/c1-7-6-15-10(12-7)8-3-2-4-9(5-8)11(13)14/h2-6H,1H3,(H,13,14)",WXENPEKCGWEERP-UHFFFAOYSA-N,C11H9NO2S,219.26,219.0353997,2.5,78.4,247,0,1,4,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Thiazolecarboxylic acid, 2-(3-cyano-4-(2-methylpropoxy)phenyl)-4-methyl-",144060-53-7,134018,"2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid",CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O,"InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)",BQSJTQLCZDPROO-UHFFFAOYSA-N,C16H16N2O3S,316.4,316.0881636,3.9,111,448,0,1,6,5,22,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
TILIDINE  [(+/-)-TRANS-TILIDINE],020380-58-9,30131,"ethyl (1S,2R)-2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate",CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)C2=CC=CC=C2,"InChI=1S/C17H23NO2/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3/h5-8,10-12,15H,4,9,13H2,1-3H3/t15-,17+/m1/s1",WDEFBBTXULIOBB-WBVHZDCISA-N,C17H23NO2,273.37,273.172879,3.1,29.5,358,0,0,3,5,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Cyclohexene-1-carboxylic acid, 2-(dimethylamino)-1-phenyl-, ethyl ester, hyd",027107-79-5,71393,"ethyl (1S,2R)-2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate;hydrochloride",CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)C2=CC=CC=C2.Cl,"InChI=1S/C17H23NO2.ClH/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3;/h5-8,10-12,15H,4,9,13H2,1-3H3;1H/t15-,17+;/m1./s1",MUWDJVKYGSDUSH-KALLACGZSA-N,C17H24ClNO2,309.8,309.1495567,,29.5,358,0,1,3,5,21,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzene, 3-cyclohexen-1-yl-",4994-16-5,21096,cyclohex-3-en-1-ylbenzene,C1CC(CC=C1)C2=CC=CC=C2,"InChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-5,7-8,12H,6,9-10H2",XWCWNUSFQVJNDI-UHFFFAOYSA-N,C12H14,158.24,158.1095504,3.7,0,151,0,0,0,1,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Cyclohexene-1-carboxylic acid, 2-(methylamino)-1-phenyl-, ethyl ester, monohydrochloride,trans-(+)-",37815-45-5,216867,"ethyl (1S,2R)-2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate;hydrochloride",CCOC(=O)[C@@]1(CCC=C[C@H]1NC)C2=CC=CC=C2.Cl,"InChI=1S/C16H21NO2.ClH/c1-3-19-15(18)16(13-9-5-4-6-10-13)12-8-7-11-14(16)17-2;/h4-7,9-11,14,17H,3,8,12H2,1-2H3;1H/t14-,16+;/m1./s1",REPHWVDUMWCCKC-XMZRARIVSA-N,C16H22ClNO2,295.8,295.1339066,,38.3,334,0,2,3,5,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1
Ergocryptine-,000511-09-1,134551,"(6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide",CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O,"InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24-,25+,26+,31-,32+/m1/s1",YDOTUXAWKBPQJW-NSLWYYNWSA-N,C32H41N5O5,575.7,575.3107694,2.7,118,1190,0,3,6,5,42,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
Ergosine,561-94-4,105137,"(6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide",CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O,"InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22-,23+,24+,29-,30+/m1/s1",NESVMZOPWPCFAU-ZPRCMDFASA-N,C30H37N5O5,547.6,547.2794693,1.8,118,1140,0,3,6,4,40,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,3,3-TRIMETHYLINDOLENINE",001640-39-7,15427,"2,3,3-trimethylindole",CC1=NC2=CC=CC=C2C1(C)C,"InChI=1S/C11H13N/c1-8-11(2,3)9-6-4-5-7-10(9)12-8/h4-7H,1-3H3",FLHJIAFUWHPJRT-UHFFFAOYSA-N,C11H13N,159.23,159.1047994,2.3,12.4,215,0,0,1,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-INDOLE, 5-CHLORO-2,3,3-TRIMETHYL-",025981-83-3,117694,"5-chloro-2,3,3-trimethylindole",CC1=NC2=C(C1(C)C)C=C(C=C2)Cl,"InChI=1S/C11H12ClN/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,1-3H3",GSKATGIMEUGNJN-UHFFFAOYSA-N,C11H12ClN,193.67,193.0658271,2.9,12.4,244,0,0,1,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-INDOLE, 2,3,3-TRIMETHYL-5-NITRO-",003484-22-8,97551,"2,3,3-trimethyl-5-nitroindole",CC1=NC2=C(C1(C)C)C=C(C=C2)[N+](=O)[O-],"InChI=1S/C11H12N2O2/c1-7-11(2,3)9-6-8(13(14)15)4-5-10(9)12-7/h4-6H,1-3H3",DDORSJSRAREODY-UHFFFAOYSA-N,C11H12N2O2,204.22,204.0898776,2.1,58.2,317,0,0,3,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzoic acid, 3,4,5-trimethoxy-, beta-(dimethylamino)-beta-ethylphenethyl este",034140-59-5,5388977,"(Z)-but-2-enedioic acid;[2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate",CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C22H29NO5.C4H4O4/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5;5-3(6)1-2-4(7)8/h8-14H,7,15H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1-",FSRLGULMGJGKGI-BTJKTKAUSA-N,C26H33NO9,503.5,503.2155316,,132,585,0,2,10,12,36,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"BENZOIC ACID, 2-AMINO-, 2-PHENYLETHYL ESTER",000133-18-6,8615,2-phenylethyl 2-aminobenzoate,C1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2N,"InChI=1S/C15H15NO2/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9H,10-11,16H2",PXWNBAGCFUDYBE-UHFFFAOYSA-N,C15H15NO2,241.28,241.1102787,4.2,52.3,261,0,1,3,5,18,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHENETHYL SALICYLATE,000087-22-9,62332,2-phenylethyl 2-hydroxybenzoate,C1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2O,"InChI=1S/C15H14O3/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2",YNMSDIQQNIRGDP-UHFFFAOYSA-N,C15H14O3,242.27,242.0942943,4.5,46.5,258,0,1,3,5,18,,370.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 2-PHENYLETHYL ESTER",000094-47-3,7194,2-phenylethyl benzoate,C1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2,"InChI=1S/C15H14O2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2",OSORMYZMWHVFOZ-UHFFFAOYSA-N,C15H14O2,226.27,226.0993797,4,26.3,225,0,0,2,5,17,,189.00 °C. @ 12.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2(3H)-THIAZOLETHIONE, 4-METHYL-",005685-06-3,1201418,"4-methyl-3H-1,3-thiazole-2-thione",CC1=CSC(=S)N1,"InChI=1S/C4H5NS2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)",NLHAIPFBNQZTMY-UHFFFAOYSA-N,C4H5NS2,131.2,130.9863415,1.2,69.4,128,0,1,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Thiazolecarboxamide, 2,3-dihydro-4-amino-3-ethyl-2-thioxo-, hydrate",64686-81-3,651943,"4-amino-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide",CCN1C(=C(SC1=S)C(=O)N)N,"InChI=1S/C6H9N3OS2/c1-2-9-4(7)3(5(8)10)12-6(9)11/h2,7H2,1H3,(H2,8,10)",RXDZEBJWHTXTRV-UHFFFAOYSA-N,C6H9N3OS2,203.3,203.0187043,0.6,130,274,0,2,4,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 2-((3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)amino)-",053902-12-8,5282230,"2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid",COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)OC,"InChI=1S/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)/b10-8+",NZHGWWWHIYHZNX-CSKARUKUSA-N,C18H17NO5,327.3,327.1106726,3.2,84.9,464,0,2,5,6,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cinnamanilide, 2'-((3-(dimethylamino)propyl)thio)-, monohydrochloride",54-84-2,6433141,(E)-N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide;hydrochloride,CN(C)CCCSC1=CC=CC=C1NC(=O)/C=C/C2=CC=CC=C2.Cl,"InChI=1S/C20H24N2OS.ClH/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17;/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23);1H/b14-13+;",LXGJPDKYMJJWRB-IERUDJENSA-N,C20H25ClN2OS,376.9,376.1376123,,57.6,391,0,2,3,8,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propenamide, N-(2-((3-(dimethylamino)propyl)thio)phenyl)-3-phenyl-",1166-34-3,5475158,(E)-N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide,CN(C)CCCSC1=CC=CC=C1NC(=O)/C=C/C2=CC=CC=C2,"InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+",RSUVYMGADVXGOU-BUHFOSPRSA-N,C20H24N2OS,340.5,340.1609346,4.1,57.6,391,0,1,3,8,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propenamide, 2-cyano-3-(3,4-dihydroxyphenyl)-N-phenyl-",133550-35-3,5328771,"(E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-phenylprop-2-enamide",C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N,"InChI=1S/C16H12N2O3/c17-10-12(8-11-6-7-14(19)15(20)9-11)16(21)18-13-4-2-1-3-5-13/h1-9,19-20H,(H,18,21)/b12-8+",HKHOVJYOELRGMV-XYOKQWHBSA-N,C16H12N2O3,280.28,280.0847923,2.7,93.4,446,0,3,4,3,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"CARBAMIC ACID, (4-CYANOPHENYL)-, PHENYL ESTER",071130-54-6,117019,phenyl N-(4-cyanophenyl)carbamate,C1=CC=C(C=C1)OC(=O)NC2=CC=C(C=C2)C#N,"InChI=1S/C14H10N2O2/c15-10-11-6-8-12(9-7-11)16-14(17)18-13-4-2-1-3-5-13/h1-9H,(H,16,17)",BXXVRXJSDVTMJN-UHFFFAOYSA-N,C14H10N2O2,238.24,238.0742276,3,62.1,320,0,1,3,3,18,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbanilic acid, m-hydroxy-, methyl ester, m-methylcarbanilate",013684-63-4,24744,[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate,CC1=CC(=CC=C1)NC(=O)OC2=CC=CC(=C2)NC(=O)OC,"InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)",IDOWTHOLJBTAFI-UHFFFAOYSA-N,C16H16N2O4,300.31,300.111007,3.6,76.7,388,0,2,4,5,22,74 °C CC,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DESMEDIPHAM,013684-56-5,24743,[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate,CCOC(=O)NC1=CC(=CC=C1)OC(=O)NC2=CC=CC=C2,"InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19)",WZJZMXBKUWKXTQ-UHFFFAOYSA-N,C16H16N2O4,300.31,300.111007,3.4,76.7,369,0,2,4,6,22,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Phenol, 2,4,5-trichloro-, carbanilate",22001-41-8,95761,"(2,4,5-trichlorophenyl) N-phenylcarbamate",C1=CC=C(C=C1)NC(=O)OC2=CC(=C(C=C2Cl)Cl)Cl,"InChI=1S/C13H8Cl3NO2/c14-9-6-11(16)12(7-10(9)15)19-13(18)17-8-4-2-1-3-5-8/h1-7H,(H,17,18)",IRZTYZDHWKOEBC-UHFFFAOYSA-N,C13H8Cl3NO2,316.6,314.962062,4.9,38.3,310,0,1,2,3,19,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, 2-hydroxy-N-(3-(m-(piperidinomethyl)phenoxy)propyl)-, acetate (este",093793-83-0,56704,[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] acetate;hydrochloride,CC(=O)OCC(=O)NCCCOC1=CC=CC(=C1)CN2CCCCC2.Cl,"InChI=1S/C19H28N2O4.ClH/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21;/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23);1H",FEWCTJHCXOHWNL-UHFFFAOYSA-N,C19H29ClN2O4,384.9,384.1815851,,67.9,410,0,2,5,10,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-PIPERIDINOL, 2,2,6,6-TETRAMETHYL-1-(PHENYLMETHYL)-",052185-71-4,103602,"1-benzyl-2,2,6,6-tetramethylpiperidin-4-ol",CC1(CC(CC(N1CC2=CC=CC=C2)(C)C)O)C,"InChI=1S/C16H25NO/c1-15(2)10-14(18)11-16(3,4)17(15)12-13-8-6-5-7-9-13/h5-9,14,18H,10-12H2,1-4H3",VLTHAKKFNPUWSB-UHFFFAOYSA-N,C16H25NO,247.38,247.1936144,2.9,23.5,261,0,1,2,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetonitrile, 2-phenyl-2-piperidino-",5766-79-0,21989,2-phenyl-2-piperidin-1-ylacetonitrile,C1CCN(CC1)C(C#N)C2=CC=CC=C2,"InChI=1S/C13H16N2/c14-11-13(12-7-3-1-4-8-12)15-9-5-2-6-10-15/h1,3-4,7-8,13H,2,5-6,9-10H2",IXQJQHORYHYKBD-UHFFFAOYSA-N,C13H16N2,200.28,200.1313485,2.6,27,228,0,0,2,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
PRINDOPRIL,107133-36-8,441313,"(2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid;2-methylpropan-2-amine",CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O.CC(C)(C)N,"InChI=1S/C19H32N2O5.C4H11N/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24;1-4(2,3)5/h12-16,20H,4-11H2,1-3H3,(H,23,24);5H2,1-3H3/t12-,13-,14-,15-,16-;/m0./s1",IYNMDWMQHSMDDE-MHXJNQAMSA-N,C23H43N3O5,441.6,441.3202715,,122,549,0,3,7,9,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1H-Indole-2-carboxylic acid, octahydro-1-(2-((1-carboxybutyl)amino)-1-oxopropyl)-,(2S-(1(R*(R*)),2-alpha,3a-beta,7a-beta))-",95153-31-4,72022,"(2S,3aS,7aS)-1-[(2S)-2-[[(1S)-1-carboxybutyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid",CCC[C@@H](C(=O)O)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O,"InChI=1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1",ODAIHABQVKJNIY-PEDHHIEDSA-N,C17H28N2O5,340.4,340.199822,0.2,107,495,0,3,6,7,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
3-HYDROXY-2-QUINOXALINECARBOXYLIC ACID,001204-75-7,71001,3-oxo-4H-quinoxaline-2-carboxylic acid,C1=CC=C2C(=C1)NC(=O)C(=N2)C(=O)O,"InChI=1S/C9H6N2O3/c12-8-7(9(13)14)10-5-3-1-2-4-6(5)11-8/h1-4H,(H,11,12)(H,13,14)",NMOWGWOAPRKWIR-UHFFFAOYSA-N,C9H6N2O3,190.16,190.0378421,1.2,78.8,311,0,2,4,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2(1H)-QUINOXALINONE,001196-57-2,14526,1H-quinoxalin-2-one,C1=CC=C2C(=C1)NC(=O)C=N2,"InChI=1S/C8H6N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,10,11)",FFRYUAVNPBUEIC-UHFFFAOYSA-N,C8H6N2O,146.15,146.0480128,0.8,41.5,200,0,1,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzo(c)phenanthrene, 2-methyl-",2606-85-1,17454,2-methylbenzo[c]phenanthrene,CC1=CC2=C(C=C1)C=CC3=C2C4=CC=CC=C4C=C3,"InChI=1S/C19H14/c1-13-6-7-15-9-11-16-10-8-14-4-2-3-5-17(14)19(16)18(15)12-13/h2-12H,1H3",BJUXRTTZOOHUQP-UHFFFAOYSA-N,C19H14,242.3,242.1095504,6.4,0,320,0,0,0,0,19,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzo(c)phenanthrene, 4-methyl-",4076-40-8,20008,4-methylbenzo[c]phenanthrene,CC1=C2C=CC3=C(C2=CC=C1)C4=CC=CC=C4C=C3,"InChI=1S/C19H14/c1-13-5-4-8-18-16(13)12-11-15-10-9-14-6-2-3-7-17(14)19(15)18/h2-12H,1H3",SBDIEAITSKXPKN-UHFFFAOYSA-N,C19H14,242.3,242.1095504,6.4,0,320,0,0,0,0,19,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZO[C]PHENANTHRENE,000195-19-7,9136,benzo[c]phenanthrene,C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C=C3,InChI=1S/C18H12/c1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16/h1-12H,TUAHORSUHVUKBD-UHFFFAOYSA-N,C18H12,228.3,228.0939004,5.7,0,266,0,0,0,0,18,,,0,1,1,1,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"3-PYRIDINECARBONITRILE, 1-BUTYL-5-[(4-CHLOROPHENYL)AZO]-1,2-DIHYDRO-6-HYDROXY-",069808-32-8,112297,1-butyl-5-[(4-chlorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile,CCCCN1C(=C(C(=C(C1=O)N=NC2=CC=C(C=C2)Cl)C)C#N)O,"InChI=1S/C17H17ClN4O2/c1-3-4-9-22-16(23)14(10-19)11(2)15(17(22)24)21-20-13-7-5-12(18)6-8-13/h5-8,23H,3-4,9H2,1-2H3",MWAWPZSULSWTAA-UHFFFAOYSA-N,C17H17ClN4O2,344.8,344.1040035,4,89.1,636,0,1,5,5,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,1
"3-PYRIDINECARBONITRILE, 5-[(3,4-DICHLOROPHENYL)AZO]-1,2-DIHYDRO-6-HYDROXY-1,4-",083249-52-9,163361,"5-[(3,4-dichlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile",CC1=C(C(=O)N(C(=C1C#N)O)C)N=NC2=CC(=C(C=C2)Cl)Cl,"InChI=1S/C14H10Cl2N4O2/c1-7-9(6-17)13(21)20(2)14(22)12(7)19-18-8-3-4-10(15)11(16)5-8/h3-5,21H,1-2H3",JPVPLXKLBHAQLE-UHFFFAOYSA-N,C14H10Cl2N4O2,337.2,336.018081,3.4,89.1,632,0,1,5,2,22,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-PYRIDINECARBONITRILE, 5-[(4-CHLORO-2-NITROPHENYL)AZO]-1-ETHYL-1,2-DIHYDRO-6-",070528-90-4,51086,5-[(4-chloro-2-nitrophenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile,CCN1C(=C(C(=C(C1=O)N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C)C#N)O,"InChI=1S/C15H12ClN5O4/c1-3-20-14(22)10(7-17)8(2)13(15(20)23)19-18-11-5-4-9(16)6-12(11)21(24)25/h4-6,22H,3H2,1-2H3",FHERFUXQYBSNRD-UHFFFAOYSA-N,C15H12ClN5O4,361.74,361.0577816,3,135,730,0,1,7,3,25,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"NAPHTHALENE, 1,2,3,5,6,7,8,8A-OCTAHYDRO-1,8A-DIMETHYL-7-(1-METHYLETHENYL)-, [1",004630-07-3,9855795,"(3R,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene",C[C@@H]1CCC=C2[C@]1(C[C@@H](CC2)C(=C)C)C,"InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13-,15+/m1/s1",QEBNYNLSCGVZOH-NFAWXSAZSA-N,C15H24,204.35,204.1878008,5.2,0,297,0,0,0,1,15,,,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENOL, 1,2,3,4,4A,5,6,7-OCTAHYDRO-2,5,5-TRIMETHYL-",041199-19-3,162452,"2,5,5-trimethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol",CC1(CCC=C2C1CCC(C2)(C)O)C,"InChI=1S/C13H22O/c1-12(2)7-4-5-10-9-13(3,14)8-6-11(10)12/h5,11,14H,4,6-9H2,1-3H3",GPVOTKFXWGURGP-UHFFFAOYSA-N,C13H22O,194.31,194.1670653,2.8,20.2,264,0,1,1,0,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"ETHANONE, 1-(1,2,3,5,6,7,8,8A-OCTAHYDRO-2,3,8,8-TETRAMETHYL-2-NAPHTHALENYL)-",068155-66-8,109193,"1-(2,3,8,8-tetramethyl-1,3,5,6,7,8a-hexahydronaphthalen-2-yl)ethanone",CC1C=C2CCCC(C2CC1(C)C(=O)C)(C)C,"InChI=1S/C16H26O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h9,11,14H,6-8,10H2,1-5H3",NOMWSTMYQKABST-UHFFFAOYSA-N,C16H26O,234.38,234.1983654,3.8,17.1,364,0,0,1,1,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
Dihydroergotamine,511-12-6,10531,"(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide",C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C,"InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23-,25-,26+,27+,32-,33+/m1/s1",LUZRJRNZXALNLM-JGRZULCMSA-N,C33H37N5O5,583.7,583.2794693,2.4,118,1160,0,3,6,4,43,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ergotamane-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-,(5'-alpha,10-alpha)-, monomethanesulfonate (salt)",24730-10-7,444034,"(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid",CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O,"InChI=1S/C35H41N5O5.CH4O3S/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34;1-5(2,3)4/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);1H3,(H,2,3,4)/t23-,25-,27-,28+,29+,34-,35+;/m1./s1",SPXACGZWWVIDGR-SPZWACKZSA-N,C36H45N5O8S,707.8,707.2988846,,181,1300,0,4,9,5,50,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIHYDROERGOTAMINE MESYLATE,006190-39-2,71171,"(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid",C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O,"InChI=1S/C33H37N5O5.CH4O3S/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;1-5(2,3)4/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);1H3,(H,2,3,4)/t21-,23-,25-,26+,27+,32-,33+;/m1./s1",ADYPXRFPBQGGAH-UMYZUSPBSA-N,C34H41N5O8S,679.8,679.2675845,,181,1260,0,4,9,4,48,,,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BIZMARK BROWN Y,010114-58-6,82360,"4-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diamine;dihydrochloride",C1=CC(=CC(=C1)N=NC2=C(C=C(C=C2)N)N)N=NC3=C(C=C(C=C3)N)N.Cl.Cl,"InChI=1S/C18H18N8.2ClH/c19-11-4-6-17(15(21)8-11)25-23-13-2-1-3-14(10-13)24-26-18-7-5-12(20)9-16(18)22;;/h1-10H,19-22H2;2*1H",MCZVRBLCRZWFJH-UHFFFAOYSA-N,C18H20Cl2N8,419.3,418.1187981,,154,454,0,6,8,4,28,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-Benzenediamine, 4,4'-(1,3-phenylenebis(azo))bis-",1052-38-6,13981,"4-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diamine",C1=CC(=CC(=C1)N=NC2=C(C=C(C=C2)N)N)N=NC3=C(C=C(C=C3)N)N,"InChI=1S/C18H18N8/c19-11-4-6-17(15(21)8-11)25-23-13-2-1-3-14(10-13)24-26-18-7-5-12(20)9-16(18)22/h1-10H,19-22H2",BDFZFGDTHFGWRQ-UHFFFAOYSA-N,C18H18N8,346.4,346.1654426,2.8,154,454,0,4,8,4,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cuprate(1-), (3-((3-((3-amino-4-nitrophenyl)azo)-2,4-dihydroxyphenyl)azo)-4-hydroxybenzenesulfonato(3-))-, sodium",13011-68-2,135666536,copper;sodium;3-[[3-[(3-amino-4-nitrophenyl)diazenyl]-4-hydroxy-2-oxidophenyl]diazenyl]-4-oxidobenzenesulfonate,C1=CC(=C(C=C1N=NC2=C(C=CC(=C2[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)[O-])[O-])O)N)[N+](=O)[O-].[Na+].[Cu+2],"InChI=1S/C18H14N6O8S.Cu.Na/c19-11-7-9(1-4-14(11)24(28)29)20-23-17-16(26)6-3-12(18(17)27)21-22-13-8-10(33(30,31)32)2-5-15(13)25;;/h1-8,25-27H,19H2,(H,30,31,32);;/q;+2;+1/p-3",GBLJDBLIDIXEQL-UHFFFAOYSA-K,C18H11CuN6NaO8S,557.9,556.955274,,253,833,0,2,13,4,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
1-(2-PYRIDYL)PIPERAZINE,034803-66-2,94459,1-pyridin-2-ylpiperazine,C1CN(CCN1)C2=CC=CC=N2,"InChI=1S/C9H13N3/c1-2-4-11-9(3-1)12-7-5-10-6-8-12/h1-4,10H,5-8H2",GZRKXKUVVPSREJ-UHFFFAOYSA-N,C9H13N3,163.22,163.1109474,0.7,28.2,132,0,1,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyridinecarbonitrile, 6-(4-methyl-1-piperazinyl)-",54864-89-0,3042935,6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile,CN1CCN(CC1)C2=NC=C(C=C2)C#N,"InChI=1S/C11H14N4/c1-14-4-6-15(7-5-14)11-3-2-10(8-12)9-13-11/h2-3,9H,4-7H2,1H3",IXWJXGCUFGKQTJ-UHFFFAOYSA-N,C11H14N4,202.26,202.1218465,0.8,43.2,249,0,0,4,1,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperazine, 1-(6-chloro-2-pyridinyl)-, monohydrochloride",95884-49-4,3024498,1-(6-chloro-2-pyridinyl)piperazine;hydrochloride,C1CN(CCN1)C2=NC(=CC=C2)Cl.Cl,"InChI=1S/C9H12ClN3.ClH/c10-8-2-1-3-9(12-8)13-6-4-11-5-7-13;/h1-3,11H,4-7H2;1H",RUGNATCZWBPRAU-UHFFFAOYSA-N,C9H13Cl2N3,234.12,233.0486528,,28.2,159,0,2,3,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperazine, 1-(2-pyridinyl)-, dihydrochloride",52266-53-2,3040476,1-pyridin-2-ylpiperazine;dihydrochloride,C1CN(CCN1)C2=CC=CC=N2.Cl.Cl,"InChI=1S/C9H13N3.2ClH/c1-2-4-11-9(3-1)12-7-5-10-6-8-12;;/h1-4,10H,5-8H2;2*1H",SLVHMMBZOHKYBM-UHFFFAOYSA-N,C9H15Cl2N3,236.14,235.0643029,,28.2,132,0,3,3,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-(1,2,3,4,5,6,7,8-OCTAHYDRO-2,3,8,8-TETRAMETHYL-2-NAPHTHALENYL)-ETHANONE",054464-57-2,108242,"1-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanone",CC1CC2=C(CC1(C)C(=O)C)C(CCC2)(C)C,"InChI=1S/C16H26O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h11H,6-10H2,1-5H3",FVUGZKDGWGKCFE-UHFFFAOYSA-N,C16H26O,234.38,234.1983654,3.6,17.1,375,0,0,1,1,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"2-NAPHTHALENECARBOXALDEHYDE, 1,2,3,4,5,6,7,8-OCTAHYDRO-8,8-DIMETHYL-",068991-97-9,112226,"8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbaldehyde",CC1(CCCC2=C1CC(CC2)C=O)C,"InChI=1S/C13H20O/c1-13(2)7-3-4-11-6-5-10(9-14)8-12(11)13/h9-10H,3-8H2,1-2H3",AQJANVUPNABWRU-UHFFFAOYSA-N,C13H20O,192.3,192.1514153,2.6,17.1,273,0,0,1,1,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,3,4,5,6,7,8-OCTAHYDRONAPHTHALENE",000493-03-8,79026,"1,2,3,4,5,6,7,8-octahydronaphthalene",C1CCC2=C(C1)CCCC2,InChI=1S/C10H16/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H2,ZKZCHOVDCNLSKG-UHFFFAOYSA-N,C10H16,136.23,136.1252005,2.9,0,119,0,0,0,0,10,,,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"FORMIC ACID, COMPD. WITH 2-[[4-[3-(4-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL",133514-97-3,164343,"2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine;formic acid",CN(C)CCS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl.C(=O)O,"InChI=1S/C19H22ClN3O2S.CH2O2/c1-22(2)13-14-26(24,25)18-9-7-17(8-10-18)23-12-11-19(21-23)15-3-5-16(20)6-4-15;2-1-3/h3-10H,11-14H2,1-2H3;1H,(H,2,3)",GVXDVYLLHYOCBM-UHFFFAOYSA-N,C20H24ClN3O4S,437.9,437.1176051,,98.7,597,0,1,7,6,29,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,0
"ETHANAMINE, 2-[[4-[3-(4-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]PHENYL]SULFO",010357-99-0,82580,"2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylethanamine",CN(C)CCS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl,"InChI=1S/C19H22ClN3O2S/c1-22(2)13-14-26(24,25)18-9-7-17(8-10-18)23-12-11-19(21-23)15-3-5-16(20)6-4-15/h3-10H,11-14H2,1-2H3",UOOLKMBHYQVDNO-UHFFFAOYSA-N,C19H22ClN3O2S,391.9,391.1121258,3.4,61.4,586,0,0,5,6,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
"2-PROPANESULFONIC ACID, 1-[[4-[3-(4-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]",058370-37-9,23673602,"sodium 1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-2-methylpropane-2-sulfonate",CC(C)(CS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl)S(=O)(=O)[O-].[Na+],"InChI=1S/C19H21ClN2O5S2.Na/c1-19(2,29(25,26)27)13-28(23,24)17-9-7-16(8-10-17)22-12-11-18(21-22)14-3-5-15(20)6-4-14;/h3-10H,11-13H2,1-2H3,(H,25,26,27);/q;+1/p-1",ABPKZRFIDANJLM-UHFFFAOYSA-M,C19H20ClN2NaO5S2,478.9,478.0399861,,124,820,0,0,7,6,30,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANESULFONIC ACID, 2-[[4-[3-(4-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]PHE",027441-70-9,23686663,"sodium 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethanesulfonate",C1CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)CCS(=O)(=O)[O-].[Na+],"InChI=1S/C17H17ClN2O5S2.Na/c18-14-3-1-13(2-4-14)17-9-10-20(19-17)15-5-7-16(8-6-15)26(21,22)11-12-27(23,24)25;/h1-8H,9-12H2,(H,23,24,25);/q;+1/p-1",CUKVLWAEAKAWHX-UHFFFAOYSA-M,C17H16ClN2NaO5S2,450.9,450.0086859,,124,747,0,0,7,6,28,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-METHYL-6-NITROBENZOIC ANHYDRIDE,434935-69-0,10472648,(2-methyl-6-nitrobenzoyl) 2-methyl-6-nitrobenzoate,CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC(=O)C2=C(C=CC=C2[N+](=O)[O-])C,"InChI=1S/C16H12N2O7/c1-9-5-3-7-11(17(21)22)13(9)15(19)25-16(20)14-10(2)6-4-8-12(14)18(23)24/h3-8H,1-2H3",YEKPNMQQSPHKBP-UHFFFAOYSA-N,C16H12N2O7,344.27,344.0644507,3.6,135,506,0,0,7,4,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
p-Anisic anhydride,794-94-5,69928,(4-methoxybenzoyl) 4-methoxybenzoate,COC1=CC=C(C=C1)C(=O)OC(=O)C2=CC=C(C=C2)OC,"InChI=1S/C16H14O5/c1-19-13-7-3-11(4-8-13)15(17)21-16(18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3",YGMHIBLUWGDWKP-UHFFFAOYSA-N,C16H14O5,286.28,286.0841235,3.2,61.8,318,0,0,5,6,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Salicylic acid, acetate, anhydride",1466-82-6,15110,(2-acetyloxybenzoyl) 2-acetyloxybenzoate,CC(=O)OC1=CC=CC=C1C(=O)OC(=O)C2=CC=CC=C2OC(=O)C,"InChI=1S/C18H14O7/c1-11(19)23-15-9-5-3-7-13(15)17(21)25-18(22)14-8-4-6-10-16(14)24-12(2)20/h3-10H,1-2H3",OAWXYINGQXLWOE-UHFFFAOYSA-N,C18H14O7,342.3,342.0739528,2.5,96,482,0,0,7,8,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZOIC ANHYDRIDE,000093-97-0,7167,benzoyl benzoate,C1=CC=C(C=C1)C(=O)OC(=O)C2=CC=CC=C2,InChI=1S/C14H10O3/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h1-10H,CHIHQLCVLOXUJW-UHFFFAOYSA-N,C14H10O3,226.23,226.0629942,3.2,43.4,245,0,0,3,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenepropanoic acid, alpha-hydroxy-beta-(((2E)-2-methyl-1-oxo-2-butenyl)amino)-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (alpha-R,beta-S)-",76429-85-1,6440548,"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[[(E)-2-methylbut-2-enoyl]amino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",C/C=C(\C)/C(=O)N[C@@H](C1=CC=CC=C1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)O)C)OC(=O)C6=CC=CC=C6)O)O,"InChI=1S/C43H51NO13/c1-8-22(2)37(50)44-31(25-15-11-9-12-16-25)33(48)39(52)55-27-20-43(53)36(56-38(51)26-17-13-10-14-18-26)34-41(7,35(49)32(47)30(23(27)3)40(43,5)6)28(46)19-29-42(34,21-54-29)57-24(4)45/h8-18,27-29,31-34,36,46-48,53H,19-21H2,1-7H3,(H,44,50)/b22-8+/t27-,28-,29+,31-,32+,33+,34-,36-,41+,42-,43+/m0/s1",ADDGUHVEJPNWQZ-GJKIWTKTSA-N,C43H51NO13,789.9,789.3360407,1.5,215,1680,0,5,13,12,57,,,0,0,0,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"Benzenepropanoic acid, beta-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6, 11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (alphaR,betaS)-, hydrate (1:3)",148408-66-6,148123,"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;trihydrate",CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O.O.O.O,"InChI=1S/C43H53NO14.3H2O/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45;;;/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52);3*1H2/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+;;;/m0.../s1",XCDIRYDKECHIPE-QHEQPUDQSA-N,C43H59NO17,861.9,861.3782994,,227,1660,0,8,17,13,61,,,1,0,0,0,0,0,1,1,0,0,1,0,0,1,0,0,0,0,1,0
"Benzenepropanoic acid, beta-(((1,1-dimethylethoxy)carbonyl)amino)-alpha-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (alpha-R,beta-S)-",183133-96-2,9854073,"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1-hydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)OC)C)OC,"InChI=1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1",BMQGVNUXMIRLCK-OAGWZNDDSA-N,C45H57NO14,835.9,835.3779055,2.7,202,1690,0,3,14,15,60,,,1,1,0,1,0,0,1,1,0,0,1,0,0,1,0,0,1,1,1,1
CEPHALOTHIN SODIUM SALT,000058-71-9,23675321,"sodium (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)[O-].[Na+],"InChI=1S/C16H16N2O6S2.Na/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10;/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23);/q;+1/p-1/t12-,15-;/m1./s1",VUFGUVLLDPOSBC-XRZFDKQNSA-M,C16H15N2NaO6S2,418.4,418.0269228,,169,686,0,1,8,7,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo",000153-61-7,6024,"(6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O,"InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1",XIURVHNZVLADCM-IUODEOHRSA-N,C16H16N2O6S2,396.4,396.0449786,-0.4,167,680,0,2,8,7,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((aminocarbonyl)oxy)methyl)-7-methoxy-8-oxo-7-((2-thienylacetyl)amino)-, (6R-cis)-",35607-66-0,441199,"(6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CC3=CC=CS3,"InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1",WZOZEZRFJCJXNZ-ZBFHGGJFSA-N,C16H17N3O7S2,427.5,427.0507922,0,202,744,0,3,9,8,28,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
CEFOXITIN SODIUM SALT,033564-30-6,23667300,"sodium (6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)[O-])NC(=O)CC3=CC=CS3.[Na+],"InChI=1S/C16H17N3O7S2.Na/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19;/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22);/q;+1/p-1/t14-,16+;/m1./s1",GNWUOVJNSFPWDD-XMZRARIVSA-M,C16H16N3NaO7S2,449.4,449.0327365,,205,750,0,2,9,8,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(2-cyanoacetamido)-3-",023239-41-0,23668837,"sodium (6R,7R)-3-(acetyloxymethyl)-7-[(2-cyanoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC#N)SC1)C(=O)[O-].[Na+],"InChI=1S/C13H13N3O6S.Na/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21;/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21);/q;+1/p-1/t9-,12-;/m1./s1",GXCRUTWHNMMJEK-WYUVZMMLSA-M,C13H12N3NaO6S,361.31,361.0344506,,165,670,0,1,8,6,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
(6R-TRANS)-7-AMINO-3-METHYL-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID,022252-43-3,33498,"(6R,7R)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",CC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O,"InChI=1S/C8H10N2O3S/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13/h4,7H,2,9H2,1H3,(H,12,13)/t4-,7-/m1/s1",NVIAYEIXYQCDAN-CLZZGJSISA-N,C8H10N2O3S,214.24,214.0412134,-3.1,109,352,0,2,5,1,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-amino-8-oxo-, (6R,7R)-",957-68-6,441328,"(6R,7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O,"InChI=1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9-/m1/s1",HSHGZXNAXBPPDL-HZGVNTEJSA-N,C10H12N2O5S,272.28,272.0466927,-4,135,461,0,2,7,4,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,1
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(5-amino-5-carboxyvaleramido)-3-(hydroxymethyl)-8-oxo-, acetate (ester)",61-24-5,65536,"(6R,7R)-3-(acetyloxymethyl)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)O)N)SC1)C(=O)O,"InChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/t9-,11-,14-/m1/s1",HOKIDJSKDBPKTQ-GLXFQSAKSA-N,C16H21N3O8S,415.4,415.1049358,-4.4,202,737,0,4,10,10,28,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((5-((dimethylamino)carbony",096036-03-2,441130,"(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid",C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)[C@@H](C)O,"InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1",DMJNNHOOLUXYBV-PQTSNVLCSA-N,C17H25N3O5S,383.5,383.1514921,-2.4,135,679,0,3,7,5,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"(4R-(3(3S*,5S*),4ALPHA,5BETA,6BETA(R*)))-3-((5-((DIMETHYLAMINO)CARBONYL)-3-PYRROLIDINYL)THIO)-6-(1-HYDROXYETHYL)-4-METHYL-7-OXO-1-AZABICYCLO(3.2.0)HEPT-2-ENE-2-CARBOXYLIC ACID, TRIHYDRATE",119478-56-7,441129,"(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;trihydrate",C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)[C@@H](C)O.O.O.O,"InChI=1S/C17H25N3O5S.3H2O/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4;;;/h7-12,18,21H,5-6H2,1-4H3,(H,24,25);3*1H2/t7-,8-,9+,10+,11-,12-;;;/m1.../s1",CTUAQTBUVLKNDJ-OBZXMJSBSA-N,C17H31N3O8S,437.5,437.1831861,,138,679,0,6,10,5,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DORIPENEM HYDRATE,364622-82-2,636377,"(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrate",C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CNS(=O)(=O)N)C(=O)O)[C@@H](C)O.O,"InChI=1S/C15H24N4O6S2.H2O/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25;/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25);1H2/t6-,7-,8+,9+,10-,11-;/m1./s1",NTUBEBXBDGKBTJ-WGLOMNHJSA-N,C15H26N4O7S2,438.5,438.1242915,,197,780,0,6,11,7,28,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-3-((1-(1-iminoethyl)-3-pyrrolidinyl)thio)-7-oxo-, (5R-(3(S*),5-alpha,6-alpha(R*)))-",87726-17-8,72015,"(5R,6S)-3-[(3S)-1-ethanimidoylpyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid",C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)S[C@H]3CCN(C3)C(=N)C)O,"InChI=1S/C15H21N3O4S/c1-7(19)12-10-5-11(13(15(21)22)18(10)14(12)20)23-9-3-4-17(6-9)8(2)16/h7,9-10,12,16,19H,3-6H2,1-2H3,(H,21,22)/t7-,9+,10-,12-/m1/s1",TYMABNNERDVXID-DLYFRVTGSA-N,C15H21N3O4S,339.4,339.1252773,0,130,606,0,3,6,5,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GUANINE,000073-40-5,135398634,"2-amino-1,7-dihydropurin-6-one",C1=NC2=C(N1)C(=O)NC(=N2)N,"InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",UYTPUPDQBNUYGX-UHFFFAOYSA-N,C5H5N5O,151.13,151.0494098,-1.1,96.2,225,0,3,3,0,11,,BOILING POINT: SUBLIMES,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HYPOXANTHINE,000068-94-0,135398638,"1,7-dihydropurin-6-one",C1=NC2=C(N1)C(=O)NC=N2,"InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)",FDGQSTZJBFJUBT-UHFFFAOYSA-N,C5H4N4O,136.11,136.0385108,-0.5,70.1,190,0,2,3,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GUANINE HYDROCHLORIDE,000635-39-2,135436483,"2-amino-1,7-dihydropurin-6-one;hydrochloride",C1=NC2=C(N1)C(=O)NC(=N2)N.Cl,"InChI=1S/C5H5N5O.ClH/c6-5-9-3-2(4(11)10-5)7-1-8-3;/h1H,(H4,6,7,8,9,10,11);1H",IBAOFQIOOBQLHE-UHFFFAOYSA-N,C5H6ClN5O,187.59,187.0260875,,96.2,225,0,4,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ARALDITE PY 306,039817-09-9,91511,2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane,C1C(O1)COC2=CC=C(C=C2)CC3=CC=C(C=C3)OCC4CO4,"InChI=1S/C19H20O4/c1-5-16(20-10-18-12-22-18)6-2-14(1)9-15-3-7-17(8-4-15)21-11-19-13-23-19/h1-8,18-19H,9-13H2",XUCHXOAWJMEFLF-UHFFFAOYSA-N,C19H20O4,312.4,312.1361591,3.2,43.5,324,0,0,4,8,23,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"BENZENEMETHANOL, 5-[1-METHYL-1-[4-(OXIRANYLMETHOXY)PHENYL]ETHYL]-2-(OXIRANYLME",003188-83-8,62489,[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methanol,CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC(=C(C=C3)OCC4CO4)CO,"InChI=1S/C22H26O5/c1-22(2,16-3-6-18(7-4-16)24-11-19-12-25-19)17-5-8-21(15(9-17)10-23)27-14-20-13-26-20/h3-9,19-20,23H,10-14H2,1-2H3",KKMOOTHADALRAT-UHFFFAOYSA-N,C22H26O5,370.4,370.1780239,3.2,63.8,473,0,1,5,9,27,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Propane, 2,2-bis(3,5-dibromo-4-(2,3-epoxypropoxy)phenyl)-",3072-84-2,62250,"2-[[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane",CC(C)(C1=CC(=C(C(=C1)Br)OCC2CO2)Br)C3=CC(=C(C(=C3)Br)OCC4CO4)Br,"InChI=1S/C21H20Br4O4/c1-21(2,11-3-15(22)19(16(23)4-11)28-9-13-7-26-13)12-5-17(24)20(18(25)6-12)29-10-14-8-27-14/h3-6,13-14H,7-10H2,1-2H3",ZJRAAAWYHORFHN-UHFFFAOYSA-N,C21H20Br4O4,656,655.80541,6.8,43.5,495,0,0,4,8,29,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
4'-AMINOBENZO-18-CROWN-6,068941-06-0,2724802,"2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-amine",C1COCCOCCOC2=C(C=CC(=C2)N)OCCOCCO1,"InChI=1S/C16H25NO6/c17-14-1-2-15-16(13-14)23-12-10-21-8-6-19-4-3-18-5-7-20-9-11-22-15/h1-2,13H,3-12,17H2",PZXYILUXRGTFGD-UHFFFAOYSA-N,C16H25NO6,327.37,327.1681875,-0.4,81.4,294,0,1,7,0,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4`-BROMOBENZO-18-CROWN-6,075460-28-5,2734267,"20-bromo-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene",C1COCCOCCOC2=C(C=CC(=C2)Br)OCCOCCO1,"InChI=1S/C16H23BrO6/c17-14-1-2-15-16(13-14)23-12-10-21-8-6-19-4-3-18-5-7-20-9-11-22-15/h1-2,13H,3-12H2",XHHZIFBFFGIFNI-UHFFFAOYSA-N,C16H23BrO6,391.25,390.0678,1,55.4,294,0,0,6,0,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,3,5,6,8,9,11,12,14,15-DECAHYDRO-1,4,7,10,13,16-BENZOHEXAOXACYCLOOCTADECINE-18-CARBOXYLIC ACID",060835-75-8,2724805,"2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carboxylic acid",C1COCCOCCOC2=C(C=CC(=C2)C(=O)O)OCCOCCO1,"InChI=1S/C17H24O8/c18-17(19)14-1-2-15-16(13-14)25-12-10-23-8-6-21-4-3-20-5-7-22-9-11-24-15/h1-2,13H,3-12H2,(H,18,19)",GFQYJVLOPVAPGJ-UHFFFAOYSA-N,C17H24O8,356.4,356.1471177,-0.3,92.7,365,0,1,8,1,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
BENZO-18-CROWN-6,014098-24-9,585779,"2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene",C1COCCOCCOC2=CC=CC=C2OCCOCCO1,"InChI=1S/C16H24O6/c1-2-4-16-15(3-1)21-13-11-19-9-7-17-5-6-18-8-10-20-12-14-22-16/h1-4H,5-14H2",DSFHXKRFDFROER-UHFFFAOYSA-N,C16H24O6,312.36,312.1572885,0.6,55.4,237,0,0,6,0,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-AMINO-5-HYDROXYPYRAZOLE,006126-22-3,73538,"3-amino-1,4-dihydropyrazol-5-one",C1C(=NNC1=O)N,"InChI=1S/C3H5N3O/c4-2-1-3(7)6-5-2/h1H2,(H2,4,5)(H,6,7)",UELIBMUMKLRTKJ-UHFFFAOYSA-N,C3H5N3O,99.09,99.04326179,-1.4,67.5,128,0,2,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-PYRAZOLE-3-CARBOXYLIC ACID, 4,5-DIHYDRO-5-OXO-",071173-77-8,117046,"5-oxo-1,4-dihydropyrazole-3-carboxylic acid",C1C(=NNC1=O)C(=O)O,"InChI=1S/C4H4N2O3/c7-3-1-2(4(8)9)5-6-3/h1H2,(H,6,7)(H,8,9)",YKJJEZSCAQDLOD-UHFFFAOYSA-N,C4H4N2O3,128.09,128.022192,-0.8,78.8,196,0,2,4,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-PYRAZOL-3-ONE, 2,4-DIHYDRO-5-METHYL-",000108-26-9,7920,"3-methyl-1,4-dihydropyrazol-5-one",CC1=NNC(=O)C1,"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H2,1H3,(H,6,7)",NHLAPJMCARJFOG-UHFFFAOYSA-N,C4H6N2O,98.1,98.04801282,-0.5,41.5,128,0,1,2,0,7,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrazol-5(4H)-one, 4-(2-(4-methoxy-2-nitrophenyl)hydrazinylidene)-3-methyl-",109321-61-1,316289,"1,4-dihydropyrazol-5-one",C1C=NNC1=O,"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h2H,1H2,(H,5,6)",ZRHUHDUEXWHZMA-UHFFFAOYSA-N,C3H4N2O,84.08,84.03236276,-0.8,41.5,97,0,1,2,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4-TRIAZOLO(1,5-A)PYRIMIDINE",000275-02-5,636456,"[1,2,4]triazolo[1,5-a]pyrimidine",C1=CN2C(=NC=N2)N=C1,InChI=1S/C5H4N4/c1-2-6-5-7-4-8-9(5)3-1/h1-4H,SRNKZYRMFBGSGE-UHFFFAOYSA-N,C5H4N4,120.11,120.0435961,0.1,43.1,105,0,0,3,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"s-Triazolo(1,5-a)pyrimidin-7-amine, N,N-diethyl-5-methyl-",015421-84-8,5531,"N,N-diethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine",CCN(CC)C1=CC(=NC2=NC=NN12)C,"InChI=1S/C10H15N5/c1-4-14(5-2)9-6-8(3)13-10-11-7-12-15(9)10/h6-7H,4-5H2,1-3H3",GSNOZLZNQMLSKJ-UHFFFAOYSA-N,C10H15N5,205.26,205.1327455,1.7,46.3,206,0,0,4,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1,2,4)Triazolo(1,5-a)pyrimidin-7-amine, 5-methyl-",33376-96-4,169505,"5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine",CC1=NC2=NC=NN2C(=C1)N,"InChI=1S/C6H7N5/c1-4-2-5(7)11-6(10-4)8-3-9-11/h2-3H,7H2,1H3",WCHZTJMYPRSTPF-UHFFFAOYSA-N,C6H7N5,149.15,149.0701452,0.1,69.1,150,0,1,4,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ACENAPHTHENE-D10,015067-26-2,177559,"1,1,2,2,3,4,5,6,7,8-decadeuterioacenaphthylene",[2H]C1=C(C2=C3C(=C1[2H])C(C(C3=C(C(=C2[2H])[2H])[2H])([2H])[2H])([2H])[2H])[2H],"InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/i1D,2D,3D,4D,5D,6D,7D2,8D2",CWRYPZZKDGJXCA-WHUVPORUSA-N,C12H10,164.27,164.1410178,3.9,0,155,0,0,0,0,12,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
5-BROMOACENAPHTHENE,002051-98-1,74923,"5-bromo-1,2-dihydroacenaphthylene",C1CC2=CC=C(C3=CC=CC1=C23)Br,"InChI=1S/C12H9Br/c13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2",QALKJGMGKYKMKE-UHFFFAOYSA-N,C12H9Br,233.1,231.98876,4.7,0,201,0,0,0,0,13,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
5-NITROACENAPHTHENE,000602-87-9,11769,"5-nitro-1,2-dihydroacenaphthylene",C1CC2=CC=C(C3=CC=CC1=C23)[N+](=O)[O-],"InChI=1S/C12H9NO2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2",CUARLQDWYSRQDF-UHFFFAOYSA-N,C12H9NO2,199.2,199.0633285,3.9,45.8,273,0,0,2,0,15,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DISPERSE ORANGE 13,006253-10-7,22625,4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]phenol,C1=CC=C(C=C1)N=NC2=CC=C(C3=CC=CC=C32)N=NC4=CC=C(C=C4)O,"InChI=1S/C22H16N4O/c27-18-12-10-17(11-13-18)24-26-22-15-14-21(19-8-4-5-9-20(19)22)25-23-16-6-2-1-3-7-16/h1-15,27H",FWTBRYBHCBCJEQ-UHFFFAOYSA-N,C22H16N4O,352.4,352.1324112,6.4,69.7,508,0,1,5,4,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 3-[[4-[[4-[BIS(2-HYDROXYETHYL)AMINO]PHENYL]AZO]-1-NAPHTH",067674-28-6,23695339,sodium 3-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]naphthalen-1-yl]diazenyl]benzenesulfonate,C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC(=CC=C3)S(=O)(=O)[O-])N=NC4=CC=C(C=C4)N(CCO)CCO.[Na+],"InChI=1S/C26H25N5O5S.Na/c32-16-14-31(15-17-33)21-10-8-19(9-11-21)27-29-25-12-13-26(24-7-2-1-6-23(24)25)30-28-20-4-3-5-22(18-20)37(34,35)36;/h1-13,18,32-33H,14-17H2,(H,34,35,36);/q;+1/p-1",ONPFOQUDWPKMIV-UHFFFAOYSA-M,C26H24N5NaO5S,541.6,541.1395843,,159,859,0,2,10,10,38,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENESULFONIC ACID, 3-[[4-[(2-METHOXY-5-METHYLPHENYL)AZO]-1-NAPHTHALENYL]AZO",075627-17-7,23673699,sodium 3-[[4-[(2-methoxy-5-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]benzenesulfonate,CC1=CC(=C(C=C1)OC)N=NC2=CC=C(C3=CC=CC=C32)N=NC4=CC(=CC=C4)S(=O)(=O)[O-].[Na+],"InChI=1S/C24H20N4O4S.Na/c1-16-10-13-24(32-2)23(14-16)28-27-22-12-11-21(19-8-3-4-9-20(19)22)26-25-17-6-5-7-18(15-17)33(29,30)31;/h3-15H,1-2H3,(H,29,30,31);/q;+1/p-1",UFKGCAHCBCVYJV-UHFFFAOYSA-M,C24H19N4NaO4S,482.5,482.1024706,,124,805,0,0,8,6,34,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 3-[[4-[(2-ETHOXY-5-METHYLPHENYL)AZO]-1-NAPHTHALENYL]AZO]",068959-00-2,23668780,sodium 3-[[4-[(2-ethoxy-5-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]benzenesulfonate,CCOC1=C(C=C(C=C1)C)N=NC2=CC=C(C3=CC=CC=C32)N=NC4=CC(=CC=C4)S(=O)(=O)[O-].[Na+],"InChI=1S/C25H22N4O4S.Na/c1-3-33-25-14-11-17(2)15-24(25)29-28-23-13-12-22(20-9-4-5-10-21(20)23)27-26-18-7-6-8-19(16-18)34(30,31)32;/h4-16H,3H2,1-2H3,(H,30,31,32);/q;+1/p-1",PHBKXNWUWOCVEI-UHFFFAOYSA-M,C25H21N4NaO4S,496.5,496.1181206,,124,821,0,0,8,7,35,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetanilide, 4'-((5-methyl-3-isoxazolyl)sulfamoyl)-",21312-10-7,65280,"N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide",CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C,"InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)",GXPIUNZCALHVBA-UHFFFAOYSA-N,C12H13N3O4S,295.32,295.0626771,0.7,110,440,0,2,6,4,20,,,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Benzenesulfonamide, 4-(hydroxyamino)-N-(5-methyl-3-isoxazolyl)-",114438-33-4,114821,"4-(hydroxyamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide",CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NO,"InChI=1S/C10H11N3O4S/c1-7-6-10(12-17-7)13-18(15,16)9-4-2-8(11-14)3-5-9/h2-6,11,14H,1H3,(H,12,13)",MJAMPGKHIZXVFJ-UHFFFAOYSA-N,C10H11N3O4S,269.28,269.047027,1.1,113,362,0,3,7,4,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Benzenesulfonamide, N-(5-methyl-3-isoxazolyl)-4-nitroso-",131549-85-4,125483,"N-(5-methyl-1,2-oxazol-3-yl)-4-nitrosobenzenesulfonamide",CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N=O,"InChI=1S/C10H9N3O4S/c1-7-6-10(12-17-7)13-18(15,16)9-4-2-8(11-14)3-5-9/h2-6H,1H3,(H,12,13)",GHNQGDUYHCZZPT-UHFFFAOYSA-N,C10H9N3O4S,267.26,267.031377,0.9,110,386,0,1,7,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Phosphonic acid, (1-hydroxy-2-imidazo(1,2-a)pyridin-3-ylethylidene)bis-",180064-38-4,130956,"(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid",C1=CC2=NC=C(N2C=C1)CC(O)(P(=O)(O)O)P(=O)(O)O,"InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)",VMMKGHQPQIEGSQ-UHFFFAOYSA-N,C9H12N2O7P2,322.15,322.0119747,-2.2,153,439,0,5,8,4,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"IMIDAZO[1,2-A]PYRIDINE",000274-76-0,78960,"imidazo[1,2-a]pyridine",C1=CC2=NC=CN2C=C1,InChI=1S/C7H6N2/c1-2-5-9-6-4-8-7(9)3-1/h1-6H,UTCSSFWDNNEEBH-UHFFFAOYSA-N,C7H6N2,118.14,118.0530982,1.8,17.3,103,0,0,1,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Imidazo(1,2-a)pyridine-3-carboxylic acid, 2-methyl-",21801-79-6,89054,"2-methylimidazo[1,2-a]pyridine-3-carboxylic acid",CC1=C(N2C=CC=CC2=N1)C(=O)O,"InChI=1S/C9H8N2O2/c1-6-8(9(12)13)11-5-3-2-4-7(11)10-6/h2-5H,1H3,(H,12,13)",FBIUGCLQMKPURJ-UHFFFAOYSA-N,C9H8N2O2,176.17,176.0585775,2,54.6,220,0,1,3,1,13,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Sulfanilamide, N(sup 1)-(2,6-dimethoxy-4-pyrimidinyl)-",000122-11-2,5323,"4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide",COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC,"InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)",ZZORFUFYDOWNEF-UHFFFAOYSA-N,C12H14N4O4S,310.33,310.0735761,1.6,125,419,0,2,8,5,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Sulfanilamide, N(sup 1)-(2,6-dimethyl-4-pyrimidinyl)-",000515-64-0,5343,"4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide",CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)N,"InChI=1S/C12H14N4O2S/c1-8-7-12(15-9(2)14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)",YZMCKZRAOLZXAZ-UHFFFAOYSA-N,C12H14N4O2S,278.33,278.0837469,1.2,106,387,0,2,6,3,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Sulfanilamide, N(sup 1)-(6-methoxy-4-pyrimidinyl)-",001220-83-3,5332,4-amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide,COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N,"InChI=1S/C11H12N4O3S/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,14,15)",WMPXPUYPYQKQCX-UHFFFAOYSA-N,C11H12N4O3S,280.31,280.0630114,0.8,116,376,0,2,7,4,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Benzenesulfonamide, 4-amino-N-(5,6-dimethoxy-4-pyrimidinyl)-",2447-57-6,17134,"4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide",COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N,"InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)",PJSFRIWCGOHTNF-UHFFFAOYSA-N,C12H14N4O4S,310.33,310.0735761,0.7,125,419,0,2,8,5,21,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"2(1H)-PYRIMIDINETHIONE, 4,6-DIAMINO-",001004-39-3,1201482,"4,6-diamino-1H-pyrimidine-2-thione",C1=C(NC(=S)N=C1N)N,"InChI=1S/C4H6N4S/c5-2-1-3(6)8-4(9)7-2/h1H,(H5,5,6,7,8,9)",QCAWOHUJKPKOMD-UHFFFAOYSA-N,C4H6N4S,142.19,142.0313174,-1.2,109,205,0,3,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2(1H)-PYRIMIDINETHIONE,001450-85-7,1550489,1H-pyrimidine-2-thione,C1=CNC(=S)N=C1,"InChI=1S/C4H4N2S/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7)",HBCQSNAFLVXVAY-UHFFFAOYSA-N,C4H4N2S,112.16,112.0095193,-1.1,56.5,137,0,1,1,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Pyrimidinecarboxylic acid, 4-amino-2-mercapto-, ethyl ester",774-07-2,759149,ethyl 6-amino-2-sulfanylidene-1H-pyrimidine-5-carboxylate,CCOC(=O)C1=C(NC(=S)N=C1)N,"InChI=1S/C7H9N3O2S/c1-2-12-6(11)4-3-9-7(13)10-5(4)8/h3H,2H2,1H3,(H3,8,9,10,13)",DKTWKRWWQKVQQB-UHFFFAOYSA-N,C7H9N3O2S,199.23,199.0415477,0.4,109,309,0,2,4,3,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(1H)-Pyrimidinethione, 4,6-dimethyl-",22325-27-5,673664,"4,6-dimethyl-1H-pyrimidine-2-thione",CC1=CC(=NC(=S)N1)C,"InChI=1S/C6H8N2S/c1-4-3-5(2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9)",RAFAYWADRVMWFA-UHFFFAOYSA-N,C6H8N2S,140.21,140.0408194,0.6,56.5,203,0,1,1,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 4-[[3-[(DIMETHYLPHENYL)AZO]-2,4-DIHYDROXYPHENYL]AZO]-, M",001320-07-6,23675104,"sodium 4-[(2Z)-2-[(5E)-5-[(2,4-dimethylphenyl)hydrazinylidene]-4,6-dioxocyclohex-2-en-1-ylidene]hydrazinyl]benzenesulfonate",CC1=CC(=C(C=C1)N/N=C/2\C(=O)C=C/C(=N/NC3=CC=C(C=C3)S(=O)(=O)[O-])/C2=O)C.[Na+],"InChI=1S/C20H18N4O5S.Na/c1-12-3-8-16(13(2)11-12)22-24-19-18(25)10-9-17(20(19)26)23-21-14-4-6-15(7-5-14)30(27,28)29;/h3-11,21-22H,1-2H3,(H,27,28,29);/q;+1/p-1/b23-17-,24-19+;",VRDAELYOGRCZQD-NFLRKZIHSA-M,C20H17N4NaO5S,448.4,448.0817351,,149,872,0,2,9,5,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 4-[[3-[(2,4-DIMETHYLPHENYL)AZO]-2,4-DIHYDROXYPHENYL]AZO]",006371-84-2,23668750,"sodium 4-[(2E)-2-[(5Z)-5-[(2,4-dimethylphenyl)hydrazinylidene]-4,6-dioxocyclohex-2-en-1-ylidene]hydrazinyl]benzenesulfonate",CC1=CC(=C(C=C1)N/N=C\2/C(=O)C=C/C(=N\NC3=CC=C(C=C3)S(=O)(=O)[O-])/C2=O)C.[Na+],"InChI=1S/C20H18N4O5S.Na/c1-12-3-8-16(13(2)11-12)22-24-19-18(25)10-9-17(20(19)26)23-21-14-4-6-15(7-5-14)30(27,28)29;/h3-11,21-22H,1-2H3,(H,27,28,29);/q;+1/p-1/b23-17+,24-19-;",VRDAELYOGRCZQD-UDISZFTJSA-M,C20H17N4NaO5S,448.4,448.0817351,,149,872,0,2,9,5,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
"1,3-BENZENEDIOL, 2,4-BIS[(DIMETHYLPHENYL)AZO]-",029190-28-1,5483292,"(2Z,6E)-2,6-bis[(2,4-dimethylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione",CC1=CC(=C(C=C1)N/N=C/2\C=CC(=O)/C(=N/NC3=C(C=C(C=C3)C)C)/C2=O)C,"InChI=1S/C22H22N4O2/c1-13-5-7-17(15(3)11-13)23-25-19-9-10-20(27)21(22(19)28)26-24-18-8-6-14(2)12-16(18)4/h5-12,23-24H,1-4H3/b25-19+,26-21-",JTHUBMQPODORFF-MHVONFLCSA-N,C22H22N4O2,374.4,374.174276,5.1,82.9,697,0,2,6,4,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 4-[[2,4-DIHYDROXY-3-(PHENYLAZO)PHENYL]AZO]-, MONOSODIUM",005850-13-5,23664421,"sodium 4-[(2Z)-2-[(5E)-4,6-dioxo-5-(phenylhydrazinylidene)cyclohex-2-en-1-ylidene]hydrazinyl]benzenesulfonate",C1=CC=C(C=C1)N/N=C/2\C(=O)C=C/C(=N/NC3=CC=C(C=C3)S(=O)(=O)[O-])/C2=O.[Na+],"InChI=1S/C18H14N4O5S.Na/c23-16-11-10-15(18(24)17(16)22-20-12-4-2-1-3-5-12)21-19-13-6-8-14(9-7-13)28(25,26)27;/h1-11,19-20H,(H,25,26,27);/q;+1/p-1/b21-15-,22-17+;",BCXMKWXGJZAYQV-QJLSFGFMSA-M,C18H13N4NaO5S,420.4,420.050435,,149,805,0,2,9,5,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANOL, 4-(1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPT-2-YL)-",066072-32-0,106674,"4-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol",CC1(C2CCC1(C(C2)C3CCC(CC3)O)C)C,"InChI=1S/C16H28O/c1-15(2)12-8-9-16(15,3)14(10-12)11-4-6-13(17)7-5-11/h11-14,17H,4-10H2,1-3H3",LFHQKYSBKVWWOS-UHFFFAOYSA-N,C16H28O,236.39,236.2140155,4.6,20.2,301,0,1,1,1,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOHEXANOL, (1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPT-2-YL)-",068877-29-2,16070753,"1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol",CC1(C2CCC1(C(C2)C3(CCCCC3)O)C)C,"InChI=1S/C16H28O/c1-14(2)12-7-10-15(14,3)13(11-12)16(17)8-5-4-6-9-16/h12-13,17H,4-11H2,1-3H3",ZCYKVYLQRHEGPH-UHFFFAOYSA-N,C16H28O,236.39,236.2140155,4.5,20.2,313,0,1,1,1,17,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 8-oxo-7-((1H-tetrazol-1",041136-22-5,23688977,"sodium (6R,7R)-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CN3C=NN=N3)C(=O)[O-])CSC4=NN=CS4.[Na+],"InChI=1S/C13H12N8O4S3.Na/c22-7(1-20-4-14-18-19-20)16-8-10(23)21-9(12(24)25)6(2-26-11(8)21)3-27-13-17-15-5-28-13;/h4-5,8,11H,1-3H2,(H,16,22)(H,24,25);/q;+1/p-1/t8-,11-;/m1./s1",UGUMHWUOXWFPFH-JHQAJZDGSA-M,C13H11N8NaO4S3,462.5,461.9963087,,238,716,0,1,12,7,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"(6R-trans)-5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(((1H-tetrazol-1-yl)acetyl)amino) sodium salt",027164-46-1,23675322,"sodium (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",CC1=NN=C(S1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)[O-].[Na+],"InChI=1S/C14H14N8O4S3.Na/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21;/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26);/q;+1/p-1/t9-,12-;/m1./s1",FLKYBGKDCCEQQM-WYUVZMMLSA-M,C14H13N8NaO4S3,476.5,476.0119587,,238,746,0,1,12,7,30,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 8-oxo-7-((2-(1H-tetrazol-1-yl)acetyl)amino)-3-((1,3,4-thiadiazol-2-ylthio)methyl)-, (6R,7R)-",26973-24-0,65755,"(6R,7R)-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CN3C=NN=N3)C(=O)O)CSC4=NN=CS4,"InChI=1S/C13H12N8O4S3/c22-7(1-20-4-14-18-19-20)16-8-10(23)21-9(12(24)25)6(2-26-11(8)21)3-27-13-17-15-5-28-13/h4-5,8,11H,1-3H2,(H,16,22)(H,24,25)/t8-,11-/m1/s1",DZMVCVMFETWNIU-LDYMZIIASA-N,C13H12N8O4S3,440.5,440.0143644,-0.7,235,709,0,2,12,7,28,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(2-(1H-tetrazol-1-yl)acetamido)-, (6R,7R)",25953-19-9,33255,"(6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",CC1=NN=C(S1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)O,"InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1",MLYYVTUWGNIJIB-BXKDBHETSA-N,C14H14N8O4S3,454.5,454.0300145,-0.4,235,740,0,2,12,7,29,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"1H-3A,7-METHANOAZULENE, OCTAHYDRO-6-METHOXY-3,6,8,8-TETRAMETHYL-, [3R-(3.ALPHA",067874-81-1,11085796,"(1S,2R,5S,7R,8R)-8-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecane",C[C@@H]1CC[C@@H]2[C@]13CC[C@@]([C@H](C3)C2(C)C)(C)OC,"InChI=1S/C16H28O/c1-11-6-7-12-14(2,3)13-10-16(11,12)9-8-15(13,4)17-5/h11-13H,6-10H2,1-5H3/t11-,12+,13-,15-,16+/m1/s1",HRGPYCVTDOECMG-RHBQXOTJSA-N,C16H28O,236.39,236.2140155,4.4,9.2,334,0,0,1,1,17,,,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"1H-3A,7-METHANOAZULEN-6-OL, OCTAHYDRO-3,6,8,8-TETRAMETHYL-, [3R-(3.ALPHA.,3A.B",000077-53-2,65575,"(1S,2R,5S,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol",C[C@@H]1CC[C@@H]2[C@]13CC[C@@]([C@H](C3)C2(C)C)(C)O,"InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1",SVURIXNDRWRAFU-OGMFBOKVSA-N,C15H26O,222.37,222.1983654,3.9,20.2,321,0,1,1,0,16,,286 °C,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-3A,7-METHANOAZULEN-6-OL, OCTAHYDRO-3,6,8,8-TETRAMETHYL-, ACETATE, [3R-(3.AL",000077-54-3,13918856,"[(1S,2R,5S,7R,8R)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate",C[C@@H]1CC[C@@H]2[C@]13CC[C@@]([C@H](C3)C2(C)C)(C)OC(=O)C,"InChI=1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3/t11-,13+,14-,16-,17+/m1/s1",HQKQRXZEXPXXIG-DTWJZALFSA-N,C17H28O2,264.4,264.2089301,4.5,26.3,413,0,0,2,2,19,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-3A,7-METHANOAZULEN-6-OL, OCTAHYDRO-3,6,8,8-TETRAMETHYL-, FORMATE, [3R-(3.AL",039900-38-4,162002,"[(1S,2R,5S,7R,8R)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] formate",C[C@@H]1CC[C@@H]2[C@]13CC[C@@]([C@H](C3)C2(C)C)(C)OC=O,"InChI=1S/C16H26O2/c1-11-5-6-12-14(2,3)13-9-16(11,12)8-7-15(13,4)18-10-17/h10-13H,5-9H2,1-4H3/t11-,12+,13-,15-,16+/m1/s1",AHZYNUWTBDLJHG-RHBQXOTJSA-N,C16H26O2,250.38,250.1932801,4.5,26.3,375,0,0,2,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Cevane-3-beta,4-beta,6-alpha,7-alpha,14,15-alpha-16-beta,20-octol, 4,9-epoxy-, 6,7-diacetate 3-((+)-2-hydroxy-2-methylbutyrate) 15-((-)-2-methylbutyrate)",143-57-7,8931,"[(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16S,17R,18R,19S,22S,23S,25R)-16,17-diacetyloxy-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-[(2R)-2-methylbutanoyl]oxy-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (2S)-2-hydroxy-2-methylbutanoate",CC[C@@H](C)C(=O)O[C@H]1[C@@H]([C@H]2[C@@H](CN3C[C@H](CC[C@H]3[C@@]2(C)O)C)[C@H]4[C@@]1([C@@H]5[C@@H]([C@@H]([C@H]6[C@]7([C@]5(C4)O[C@@]6([C@H](CC7)OC(=O)[C@](C)(CC)O)O)C)OC(=O)C)OC(=O)C)O)O,"InChI=1S/C41H63NO14/c1-10-20(4)34(46)55-33-28(45)27-23(18-42-17-19(3)12-13-25(42)38(27,9)49)24-16-39-32(40(24,33)50)30(53-22(6)44)29(52-21(5)43)31-36(39,7)15-14-26(41(31,51)56-39)54-35(47)37(8,48)11-2/h19-20,23-33,45,48-51H,10-18H2,1-9H3/t19-,20+,23-,24-,25-,26-,27+,28+,29-,30+,31-,32+,33-,36-,37-,38+,39+,40-,41+/m0/s1",HYTGGNIMZXFORS-MGYKWWNKSA-N,C41H63NO14,793.9,793.4248557,2.1,219,1630,0,5,15,12,56,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cevane-3-beta,4-beta,7-alpha,14,15-alpha,16-beta,20-heptol, 4,9-epoxy-",508-65-6,442976,"(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16R,18S,19S,22S,23S,25R)-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosane-10,12,13,14,16,22,23-heptol",C[C@H]1CC[C@H]2[C@@]([C@@H]3[C@@H](CN2C1)[C@@H]4C[C@@]56[C@H]([C@@]4([C@H]([C@@H]3O)O)O)[C@@H](C[C@H]7[C@@]5(CC[C@@H]([C@]7(O6)O)O)C)O)(C)O,"InChI=1S/C27H43NO8/c1-12-4-5-17-24(3,33)19-13(11-28(17)10-12)14-9-25-21(26(14,34)22(32)20(19)31)15(29)8-16-23(25,2)7-6-18(30)27(16,35)36-25/h12-22,29-35H,4-11H2,1-3H3/t12-,13-,14-,15+,16-,17-,18-,19+,20+,21+,22-,23-,24+,25+,26-,27-/m0/s1",RNPABQVCNAUEIY-GUQYYFCISA-N,C27H43NO8,509.6,509.2988673,-1,154,968,0,7,9,0,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cevane-3-alpha,4-beta,12,14,16-beta,17,20-heptol, 4,9-epoxy-",124-98-1,16727451,"(1R,2S,6S,9S,10R,11S,12S,14R,15S,18S,19S,22R,23S,25R)-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosane-1,10,11,12,14,22,23-heptol",C[C@H]1CC[C@H]2[C@@]([C@]3([C@H](C[C@]4([C@@H]5CC[C@H]6[C@]7([C@]5(C[C@]4([C@@H]3CN2C1)O)O[C@@]6([C@@H](CC7)O)O)C)O)O)O)(C)O,"InChI=1S/C27H43NO8/c1-14-4-7-18-22(3,31)26(34)17(12-28(18)11-14)24(33)13-25-16(23(24,32)10-20(26)30)6-5-15-21(25,2)9-8-19(29)27(15,35)36-25/h14-20,29-35H,4-13H2,1-3H3/t14-,15-,16-,17-,18-,19+,20-,21-,22+,23+,24+,25+,26-,27-/m0/s1",MZHXYVMEVBEFAL-CXZGUCMRSA-N,C27H43NO8,509.6,509.2988673,-1.2,154,999,0,7,9,0,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CHROMATE(3-), BIS[3-HYDROXY-4-[(2-HYDROXY-1-NAPHTHALENYL)AZO]-1-NAPHTHALENESUL",012392-64-2,44134493,disodium;chromium(3+);1-[(2-oxidonaphthalen-1-yl)diazenyl]-4-sulfonaphthalen-2-olate;3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate,C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)O)[O-])[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)[O-])[O-])[O-].[Na+].[Na+].[Cr+3],"InChI=1S/2C20H14N2O5S.Cr.2Na/c2*23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27;;;/h2*1-11,23-24H,(H,25,26,27);;;/q;;+3;2*+1/p-5",LCZPIYCNOWJWPQ-UHFFFAOYSA-I,C40H23CrN4Na2O10S2,881.7,881.005604,,270,1340,0,1,14,5,59,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"CHROMATE(3-), BIS[3-HYDROXY-4-[(2-HYDROXY-1-NAPHTHALENYL)AZO]-7-NITRO-1-NAPHTH",057693-14-8,11979793,trisodium;chromium(3+);bis(7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate),C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C=CC(=CC4=C(C=C3[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C=CC(=CC4=C(C=C3[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-].[Na+].[Na+].[Na+].[Cr+3],"InChI=1S/2C20H13N3O7S.Cr.3Na/c2*24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;;;;/h2*1-10,24-25H,(H,28,29,30);;;;/q;;+3;3*+1/p-6",WACZZIYBCYRXBW-UHFFFAOYSA-H,C40H20CrN6Na3O14S2,993.7,992.957704,,364,1700,0,0,18,0,66,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"CHROMATE(3-), [3-HYDROXY-4-[(2-HYDROXY-1-NAPHTHALENYL)AZO]-1-NAPHTHALENESULFON",061916-42-5,112781,trisodium;chromium(3+);bis(6-oxido-5-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate),C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC4=C3C=CC=C4S(=O)(=O)[O-])[O-])[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC4=C3C=CC=C4S(=O)(=O)[O-])[O-])[O-].[Na+].[Na+].[Na+].[Cr+3],"InChI=1S/2C20H14N2O5S.Cr.3Na/c2*23-16-10-8-12-4-1-2-5-13(12)19(16)21-22-20-15-6-3-7-18(28(25,26)27)14(15)9-11-17(20)24;;;;/h2*1-11,23-24H,(H,25,26,27);;;;/q;;+3;3*+1/p-6",PISPJALACQDOKQ-UHFFFAOYSA-H,C40H22CrN4Na3O10S2,903.7,902.987548,,273,665,0,0,14,4,60,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
"1,2-PROPANEDIOL, 3-[ETHYL[3-METHYL-4-[(5-NITRO-2-THIAZOLYL)AZO]PHENYL]AMINO]-",069766-79-6,112153,"3-[N-ethyl-3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]anilino]propane-1,2-diol",CCN(CC(CO)O)C1=CC(=C(C=C1)N=NC2=NC=C(S2)[N+](=O)[O-])C,"InChI=1S/C15H19N5O4S/c1-3-19(8-12(22)9-21)11-4-5-13(10(2)6-11)17-18-15-16-7-14(25-15)20(23)24/h4-7,12,21-22H,3,8-9H2,1-2H3",COCWIIAFGQLMGS-UHFFFAOYSA-N,C15H19N5O4S,365.4,365.1157753,2.8,155,464,0,2,9,7,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENAMINE, N,N-DIETHYL-3-METHYL-4-[(5-NITRO-2-THIAZOLYL)AZO]-",070693-64-0,116816,"N,N-diethyl-3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline",CCN(CC)C1=CC(=C(C=C1)N=NC2=NC=C(S2)[N+](=O)[O-])C,"InChI=1S/C14H17N5O2S/c1-4-18(5-2)11-6-7-12(10(3)8-11)16-17-14-15-9-13(22-14)19(20)21/h6-9H,4-5H2,1-3H3",NJVKVRKBXAKSKG-UHFFFAOYSA-N,C14H17N5O2S,319.38,319.110296,4.4,115,399,0,0,7,5,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"ETHANOL, 2-[ETHYL[3-METHYL-4-[(5-NITRO-2-THIAZOLYL)AZO]PHENYL]AMINO]-",068516-81-4,108061,"2-[N-ethyl-3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]anilino]ethanol",CCN(CCO)C1=CC(=C(C=C1)N=NC2=NC=C(S2)[N+](=O)[O-])C,"InChI=1S/C14H17N5O3S/c1-3-18(6-7-20)11-4-5-12(10(2)8-11)16-17-14-15-9-13(23-14)19(21)22/h4-5,8-9,20H,3,6-7H2,1-2H3",UIHYHADQHHUIOF-UHFFFAOYSA-N,C14H17N5O3S,335.38,335.1052106,3.4,135,420,0,1,8,6,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Ethanol, 2-(ethyl(3-methyl-4-((5-nitro-2-thiazolyl)azo)phenyl)amino)-, acetate (ester)",61951-51-7,84802,"2-[N-ethyl-3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]anilino]ethyl acetate",CCN(CCOC(=O)C)C1=CC(=C(C=C1)N=NC2=NC=C(S2)[N+](=O)[O-])C,"InChI=1S/C16H19N5O4S/c1-4-20(7-8-25-12(3)22)13-5-6-14(11(2)9-13)18-19-16-17-10-15(26-16)21(23)24/h5-6,9-10H,4,7-8H2,1-3H3",HMAJVAFLGGPIPN-UHFFFAOYSA-N,C16H19N5O4S,377.4,377.1157753,4,141,515,0,0,9,8,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"CHROMATE(5-), BIS[5-[(4-AMINO-6-CHLORO-1,3,5-TRIAZIN-2-YL)AMINO]-4-HYDROXY-3-[",070776-54-4,136033643,"tetrasodium;bis(5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid);chromium;hydron",[H+].C1=CC(=C(C=C1[N+](=O)[O-])N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)NC4=NC(=NC(=N4)N)Cl)O)O.C1=CC(=C(C=C1[N+](=O)[O-])N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)NC4=NC(=NC(=N4)N)Cl)O)O.[Na+].[Na+].[Na+].[Na+].[Cr],"InChI=1S/2C19H13ClN8O10S2.Cr.4Na/c2*20-17-23-18(21)25-19(24-17)22-11-6-9(39(33,34)35)3-7-4-13(40(36,37)38)15(16(30)14(7)11)27-26-10-5-8(28(31)32)1-2-12(10)29;;;;;/h2*1-6,29-30H,(H,33,34,35)(H,36,37,38)(H3,21,22,23,24,25);;;;;/q;;;4*+1/p+1",YQPOJNNEYHRVIV-UHFFFAOYSA-O,C38H27Cl2CrN16Na4O20S4+5,1370.8,1368.884324,,626,2520,5,13,34,4,85,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"COBALTATE(5-), BIS[5-[(4-AMINO-6-CHLORO-1,3,5-TRIAZIN-2-YL)AMINO]-4-HYDROXY-3-",070776-55-5,136056664,"tetrasodium;bis(5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid);cobalt;hydron",[H+].C1=CC(=C(C=C1[N+](=O)[O-])N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)NC4=NC(=NC(=N4)N)Cl)O)O.C1=CC(=C(C=C1[N+](=O)[O-])N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)NC4=NC(=NC(=N4)N)Cl)O)O.[Na+].[Na+].[Na+].[Na+].[Co],"InChI=1S/2C19H13ClN8O10S2.Co.4Na/c2*20-17-23-18(21)25-19(24-17)22-11-6-9(39(33,34)35)3-7-4-13(40(36,37)38)15(16(30)14(7)11)27-26-10-5-8(28(31)32)1-2-12(10)29;;;;;/h2*1-6,29-30H,(H,33,34,35)(H,36,37,38)(H3,21,22,23,24,25);;;;;/q;;;4*+1/p+1",LQHFCTDEDWNYJE-UHFFFAOYSA-O,C38H27Cl2CoN16Na4O20S4+5,1377.8,1375.877013,,626,2520,5,13,34,4,85,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"CHROMATE(5-), BIS[5-[(4-AMINO-6-CHLORO-1,3,5-TRIAZIN-2-YL)AMINO]-4-HYDROXY-3-[",079828-43-6,11988043,"pentasodium;bis(5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-[(5-nitro-2-oxidophenyl)diazenyl]-4-oxidonaphthalene-2,7-disulfonate);chromium(3+)",C1=CC(=C(C=C1[N+](=O)[O-])N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=NC(=NC(=N4)N)Cl)[O-])[O-].C1=CC(=C(C=C1[N+](=O)[O-])N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=NC(=NC(=N4)N)Cl)[O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Cr+3],"InChI=1S/2C19H13ClN8O10S2.Cr.5Na/c2*20-17-23-18(21)25-19(24-17)22-11-6-9(39(33,34)35)3-7-4-13(40(36,37)38)15(16(30)14(7)11)27-26-10-5-8(28(31)32)1-2-12(10)29;;;;;;/h2*1-6,29-30H,(H,33,34,35)(H,36,37,38)(H3,21,22,23,24,25);;;;;;/q;;+3;5*+1/p-8",AICVXAYCWMYBPS-UHFFFAOYSA-F,C38H18Cl2CrN16Na5O20S4,1384.8,1382.803668,,649,1140,0,4,34,8,86,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"COBALTATE(5-), BIS[5-[(4-AMINO-6-CHLORO-1,3,5-TRIAZIN-2-YL)AMINO]-4-HYDROXY-3-",079817-88-2,11988041,"pentasodium;bis(5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-[(5-nitro-2-oxidophenyl)diazenyl]-4-oxidonaphthalene-2,7-disulfonate);cobalt(3+)",C1=CC(=C(C=C1[N+](=O)[O-])N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=NC(=NC(=N4)N)Cl)[O-])[O-].C1=CC(=C(C=C1[N+](=O)[O-])N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=NC(=NC(=N4)N)Cl)[O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Co+3],"InChI=1S/2C19H13ClN8O10S2.Co.5Na/c2*20-17-23-18(21)25-19(24-17)22-11-6-9(39(33,34)35)3-7-4-13(40(36,37)38)15(16(30)14(7)11)27-26-10-5-8(28(31)32)1-2-12(10)29;;;;;;/h2*1-6,29-30H,(H,33,34,35)(H,36,37,38)(H3,21,22,23,24,25);;;;;;/q;;+3;5*+1/p-8",AMAWPNPUTZIFAO-UHFFFAOYSA-F,C38H18Cl2CoN16Na5O20S4,1391.7,1389.796357,,649,1140,0,4,34,8,86,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
FENOXAPROP ETHYL,066441-23-4,47938,"ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate",CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl,"InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3",PQKBPHSEKWERTG-UHFFFAOYSA-N,C18H16ClNO5,361.8,361.0717003,4.1,70.8,443,0,0,6,7,25,,200 °C @ 100 pa,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Propanoic acid, 2-(4-((6-chloro-2-benzoxazolyl)oxy)phenoxy)-, ethyl ester, (2R)-",71283-80-2,91707,"ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate",CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl,"InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1",PQKBPHSEKWERTG-LLVKDONJSA-N,C18H16ClNO5,361.8,361.0717003,4.1,70.8,443,0,0,6,7,25,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
"Propanoic acid, 2-(4-((6-chloro-2-benzoxazolyl)oxy)phenoxy)-, (R)-",113158-40-0,11949285,"(2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid",C[C@H](C(=O)O)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl,"InChI=1S/C16H12ClNO5/c1-9(15(19)20)21-11-3-5-12(6-4-11)22-16-18-13-7-2-10(17)8-14(13)23-16/h2-9H,1H3,(H,19,20)/t9-/m1/s1",MPPOHAUSNPTFAJ-SECBINFHSA-N,C16H12ClNO5,333.72,333.0404002,3.4,81.8,415,0,1,6,5,23,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
RAPAMYCIN,053123-88-9,5284616,"(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone",C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC,"InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1",QFJCIRLUMZQUOT-HPLJOQBZSA-N,C51H79NO13,914.2,913.5551416,6,195,1760,0,3,13,6,65,,183-185,0,0,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"Rapamycin, 42-O-(2-hydroxyethyl)-",159351-69-6,6442177,"(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone",C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OCCO)C)/C)O)OC)C)C)/C)OC,"InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1",HKVAMNSJSFKALM-GKUWKFKPSA-N,C53H83NO14,958.2,957.5813563,5.9,205,1810,0,3,14,9,68,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Rapamycin, 42-(3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate)",162635-04-3,6918289,"[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate",C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC,"InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1",CBPNZQVSJQDFBE-FUXHJELOSA-N,C56H87NO16,1030.3,1029.602486,5.6,242,2010,0,4,16,11,73,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Rapamycin, 42-O-(dimethylphosphinyl)",572924-54-0,11520894,"(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-12-[(2R)-1-[(1S,3R,4R)-4-dimethylphosphoryloxy-3-methoxycyclohexyl]propan-2-yl]-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone",C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OP(=O)(C)C)C)/C)O)OC)C)C)/C)OC,"InChI=1S/C53H84NO14P/c1-32-18-14-13-15-19-33(2)44(63-8)30-40-23-21-38(7)53(61,67-40)50(58)51(59)54-25-17-16-20-41(54)52(60)66-45(35(4)28-39-22-24-43(46(29-39)64-9)68-69(11,12)62)31-42(55)34(3)27-37(6)48(57)49(65-10)47(56)36(5)26-32/h13-15,18-19,27,32,34-36,38-41,43-46,48-49,57,61H,16-17,20-26,28-31H2,1-12H3/b15-13+,18-14+,33-19+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1",BUROJSBIWGDYCN-GAUTUEMISA-N,C53H84NO14P,990.2,989.5629434,5.9,202,1940,0,2,14,8,69,,,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
Maytansine-,035846-53-8,5281828,"[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[acetyl(methyl)amino]propanoate",C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)C)C)\C)OC)(NC(=O)O2)O,"InChI=1S/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10+,18-11+/t19-,20+,25+,26-,27+,30+,33+,34+/m1/s1",WKPWGQKGSOKKOO-RSFHAFMBSA-N,C34H46ClN3O10,692.2,691.2871724,2,156,1300,0,2,10,6,48,,,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"Maytansine, 3-de(2-(acetylmethylamino)propionyloxy)-3-hydroxy-, butyrate (ester)",66547-09-9,6446789,"[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] butanoate",CCCC(=O)O[C@H]1CC(=O)N(C2=C(C(=CC(=C2)C/C(=C/C=C/[C@H]([C@]3(C[C@@H]([C@H]([C@H]4[C@]1(O4)C)C)OC(=O)N3)O)OC)/C)OC)Cl)C,"InChI=1S/C32H43ClN2O9/c1-8-10-27(37)43-25-16-26(36)35(5)21-14-20(15-22(40-6)28(21)33)13-18(2)11-9-12-24(41-7)32(39)17-23(42-30(38)34-32)19(3)29-31(25,4)44-29/h9,11-12,14-15,19,23-25,29,39H,8,10,13,16-17H2,1-7H3,(H,34,38)/b12-9+,18-11+/t19-,23+,24-,25+,29+,31+,32+/m1/s1",WLKHTIAFMSHJLG-BYXOJEECSA-N,C32H43ClN2O9,635.1,634.2657086,2.9,136,1130,0,2,9,6,44,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Maytansine, 2'-de(acetylmethylamino)-2'-methyl-",66584-72-3,443593,"[(1S,2R,3S,5S,6S,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-methylpropanoate",C[C@@H]1[C@@H]2C[C@]([C@@H](C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C(C)C)C)C)OC)(NC(=O)O2)O,"InChI=1S/C32H43ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28,39H,12,15-16H2,1-8H3,(H,34,38)/t19-,23+,24-,25+,28+,31+,32+/m1/s1",OPQNCARIZFLNLF-OWOYPUEESA-N,C32H43ClN2O9,635.1,634.2657086,3.1,136,1150,0,2,9,5,44,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Maytansine, N2'-deacetyl-N2'-(3-mercapto-1-oxopropyl)-",139504-50-0,11343137,"[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[methyl(3-sulfanylpropanoyl)amino]propanoate",C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCS)C)\C)OC)(NC(=O)O2)O,"InChI=1S/C35H48ClN3O10S/c1-19-10-9-11-26(46-8)35(44)18-25(47-33(43)37-35)20(2)31-34(4,49-31)27(48-32(42)21(3)38(5)28(40)12-13-50)17-29(41)39(6)23-15-22(14-19)16-24(45-7)30(23)36/h9-11,15-16,20-21,25-27,31,44,50H,12-14,17-18H2,1-8H3,(H,37,43)/b11-9+,19-10+/t20-,21+,25+,26-,27+,31+,34+,35+/m1/s1",ANZJBCHSOXCCRQ-FKUXLPTCSA-N,C35H48ClN3O10S,738.3,737.2748936,2.2,157,1340,0,3,11,8,50,,,0,1,0,1,0,1,0,0,0,0,1,0,0,1,0,0,1,0,1,1
"(9,9'-Bianthracene)-2,2'-dicarboxylic acid, 5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (R*,R*)-",81-27-6,73111,"(9R)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid",C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2[C@@H]5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O,"InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1",IPQVTOJGNYVQEO-KGFNBKMBSA-N,C42H38O20,862.7,862.1956436,1.2,348,1550,0,12,20,9,62,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"(9,9'-Bianthracene)-2,2'-dicarboxylic acid, 5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-",517-43-1,656822,"9-[2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid",C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O,"InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25?,26?,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1",IPQVTOJGNYVQEO-JLDSCGAUSA-N,C42H38O20,862.7,862.1956436,1.2,348,1550,0,12,20,9,62,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1,0,0
Sennosides 45% calcium salt,,5199,"9-[2-carboxy-4-hydroxy-10-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid",C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O,"InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)",IPQVTOJGNYVQEO-UHFFFAOYSA-N,C42H38O20,862.7,862.1956436,1.2,348,1550,0,12,20,9,62,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Benzamidine, 4,4'-(pentamethylenedioxy)di-",100-33-4,4735,4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide,C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N,"InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)",XDRYMKDFEDOLFX-UHFFFAOYSA-N,C19H24N4O2,340.4,340.189926,2.6,118,376,0,4,4,10,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamidine, 4,4'-(pentamethylenedioxy)di-, bis(beta-hydroxyethanesulfonate)",140-64-7,8813,4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;bis(2-hydroxyethanesulfonic acid),C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O,"InChI=1S/C19H24N4O2.2C2H6O4S/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23;2*3-1-2-7(4,5)6/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23);2*3H,1-2H2,(H,4,5,6)",YBVNFKZSMZGRAD-UHFFFAOYSA-N,C23H36N4O10S2,592.7,592.1872857,,284,493,0,8,12,14,39,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Aniline, 4,4'-(pentamethylenedioxy)di-, dihydrochloride",1092-82-6,14173,4-[5-(4-aminophenoxy)pentoxy]aniline,C1=CC(=CC=C1N)OCCCCCOC2=CC=C(C=C2)N,"InChI=1S/C17H22N2O2/c18-14-4-8-16(9-5-14)20-12-2-1-3-13-21-17-10-6-15(19)7-11-17/h4-11H,1-3,12-13,18-19H2",SLHXQWDUYXSTPA-UHFFFAOYSA-N,C17H22N2O2,286.37,286.1681279,3.3,70.5,234,0,2,4,8,21,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Aniline, p-(5-phenoxypentyloxy)-",101582-06-3,58556,4-(5-phenoxypentoxy)aniline,C1=CC=C(C=C1)OCCCCCOC2=CC=C(C=C2)N,"InChI=1S/C17H21NO2/c18-15-9-11-17(12-10-15)20-14-6-2-5-13-19-16-7-3-1-4-8-16/h1,3-4,7-12H,2,5-6,13-14,18H2",XIRZCQLTCRQNDW-UHFFFAOYSA-N,C17H21NO2,271.35,271.1572289,4.1,44.5,233,0,1,3,8,20,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
Aconitine (Crystalline),302-27-2,245005,"[(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-8-acetyloxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate",CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)OC(=O)C)OC)OC)O)COC,"InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1",XFSBVAOIAHNAPC-XTHSEXKGSA-N,C34H47NO11,645.7,645.3149113,0.3,153,1210,0,3,12,11,46,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Aconitane-3,8,13,14,15-pentol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-,8-acetate 14-benzoate, (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-",2752-64-9,16401314,"[(1S,2R,3R,4R,5R,6S,7S,8R,9R,10R,13R,14R,16S,17S,18R)-8-acetyloxy-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate",CC(=O)O[C@@]12[C@@H]3[C@@H](C[C@@]([C@@H]3OC(=O)C4=CC=CC=C4)([C@H]([C@@H]1O)OC)O)[C@]56[C@H](C[C@H]([C@@]7([C@H]5[C@H]([C@H]2[C@H]6N(C7)C)OC)COC)O)OC,"InChI=1S/C33H45NO11/c1-16(35)45-33-21-18(13-31(39,28(43-6)26(33)37)27(21)44-29(38)17-10-8-7-9-11-17)32-20(41-4)12-19(36)30(15-40-3)14-34(2)25(32)22(33)23(42-5)24(30)32/h7-11,18-28,36-37,39H,12-15H2,1-6H3/t18-,19-,20+,21-,22+,23+,24-,25-,26+,27-,28+,30+,31-,32+,33-/m1/s1",XUHJBXVYNBQQBD-GQPWXMLZSA-N,C33H45NO11,631.7,631.2992613,-0.1,153,1200,0,3,12,10,45,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Aconitane-8,13,14,15-tetraol, 16,16-trimethoxy-4-(methoxymethyl)-20-methyl-,8-acetate benzoate, (1-alpha,6-alpha,14-alpha,15-alpha,16-beta)-",6900-87-4,91973803,"[(1S,2R,3R,4R,5R,6S,7S,8R,9R,10R,13S,16S,17R,18R)-8-acetyloxy-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate",CC(=O)O[C@@]12[C@@H]3[C@@H](C[C@@]([C@@H]3OC(=O)C4=CC=CC=C4)([C@H]([C@@H]1O)OC)O)[C@]56[C@H](CC[C@@]7([C@H]5[C@H]([C@H]2[C@H]6N(C7)C)OC)COC)OC,"InChI=1S/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20+,21-,22+,23+,24-,25-,26+,27-,28+,30+,31-,32+,33-/m1/s1",FIDOCHXHMJHKRW-FBYRGYIKSA-N,C33H45NO10,615.7,615.3043466,0.9,133,1160,0,2,11,10,44,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Methanone, ((1-alpha,6-alpha,14-alpha,16-beta)-8-(acetyloxy)-20-ethyl-13-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl)(4-methoxyphenyl)-",107668-79-1,139032942,"[(1S,2R,3R,4R,5R,6S,8R,9R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate",CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@]5(C[C@@H]([C@@]6(C[C@@H]4[C@@H]5[C@H]6OC(=O)C7=CC=C(C=C7)OC)O)OC)OC(=O)C)OC)OC)COC,"InChI=1S/C35H49NO10/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37,26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20/h9-12,22-30,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26+,27+,28-,29?,30-,32+,33-,34-,35+/m1/s1",GAZDXIGXYWVWQX-NWDFBOQYSA-N,C35H49NO10,643.8,643.3356468,2.2,122,1190,0,1,11,12,46,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"10H-Pyrido(3,2-b)(1,4)benzothiazine, 10-(3-(dimethylamino)propyl)-",303-69-5,14670,"N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine",CN(C)CCCN1C2=CC=CC=C2SC3=C1N=CC=C3,"InChI=1S/C16H19N3S/c1-18(2)11-6-12-19-13-7-3-4-8-14(13)20-15-9-5-10-17-16(15)19/h3-5,7-10H,6,11-12H2,1-2H3",JTTAUPUMOLRVRA-UHFFFAOYSA-N,C16H19N3S,285.4,285.1299688,3.4,44.7,310,0,0,4,4,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"10H-Pyrido(3,2-b)(1,4)benzothiazine, 10-(2-(dimethylamino)propyl)-",482-15-5,3781,"N,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine",CC(CN1C2=CC=CC=C2SC3=C1N=CC=C3)N(C)C,"InChI=1S/C16H19N3S/c1-12(18(2)3)11-19-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)19/h4-10,12H,11H2,1-3H3",OQJBSDFFQWMKBQ-UHFFFAOYSA-N,C16H19N3S,285.4,285.1299688,3.5,44.7,323,0,0,4,3,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, (5R-(5-alpha,5a-alpha,8a-alpha,9-alpha))-",477-47-4,72435,"(5R,5aR,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",COC1=CC(=CC(=C1OC)OC)[C@H]2[C@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O,"InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19+,20-/m0/s1",YJGVMLPVUAXIQN-HAEOHBJNSA-N,C22H22O8,414.4,414.1314677,2,92.7,629,0,1,8,4,30,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-",518-28-5,10607,"(5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O,"InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1",YJGVMLPVUAXIQN-XVVDYKMHSA-N,C22H22O8,414.4,414.1314677,2,92.7,629,0,1,8,4,30,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-",568-53-6,92129,"(5aR,8aR,9R)-4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@@H](CC4=C(C5=C(C=C24)OCO5)O)COC3=O,"InChI=1S/C21H20O8/c1-25-13-4-9(5-14(26-2)19(13)23)16-11-6-15-20(29-8-28-15)18(22)12(11)3-10-7-27-21(24)17(10)16/h4-6,10,16-17,22-23H,3,7-8H2,1-2H3/t10-,16+,17-/m0/s1",JGGWNGRBXJWAOC-HKJPBSJPSA-N,C21H20O8,400.4,400.1158176,2.6,104,614,0,2,8,3,29,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Spiro(3H-indole-3,6'(4'aH)-(1H)pyrano(3,4-f)indolizine)-4'-carboxylic acid, 1,2,5',5'a,7',8',10',10'a-octahydro-1'-methyl-2-oxo-, methyl ester, (1'S,3S,4'aS,5'aS,10'aR)-",1/3/63,11726520,"methyl (1S,4aS,5aS,6S,10aR)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate",C[C@H]1[C@H]2CN3CC[C@@]4([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O,"InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14+,18-,21-/m0/s1",JMIAZDVHNCCPDM-NWQITLLVSA-N,C21H24N2O4,368.4,368.1736073,1.6,67.9,692,0,1,5,2,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Spiro(3H-indole-3,6'(4'aH)-(1H)pyrano(3,4-f)indolizine)-4'-carboxylic acid, 1,2,5',5'a,7',8',10',10'a-octahydro-1'-methyl-2-oxo-, methyl ester, (1'S,3S,4'aS,5'aS,10'aS)-",5171-37-9,9885603,"methyl (1S,4aS,5aS,6S,10aS)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate",C[C@H]1[C@@H]2CN3CC[C@@]4([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O,"InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14-,18-,21-/m0/s1",JMIAZDVHNCCPDM-PFDNRQJHSA-N,C21H24N2O4,368.4,368.1736073,1.6,67.9,692,0,1,5,2,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 4,4'-(2-pyridylmethylene)di-",603-41-8,69046,4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenol,C1=CC=NC(=C1)C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O,"InChI=1S/C18H15NO2/c20-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(21)11-7-14/h1-12,18,20-21H",LJROKJGQSPMTKB-UHFFFAOYSA-N,C18H15NO2,277.3,277.1102787,3.6,53.4,284,0,2,3,3,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 4,4'-(2-pyridylmethylene)bis-, bis(hydrogen sulfate), disodium salt",10040-45-6,68654,disodium;[4-[pyridin-2-yl-(4-sulfonatooxyphenyl)methyl]phenyl] sulfate,C1=CC=NC(=C1)C(C2=CC=C(C=C2)OS(=O)(=O)[O-])C3=CC=C(C=C3)OS(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C18H15NO8S2.2Na/c20-28(21,22)26-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(11-7-14)27-29(23,24)25;;/h1-12,18H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2",GOZDTZWAMGHLDY-UHFFFAOYSA-L,C18H13NNa2O8S2,481.4,480.9877973,,163,633,0,0,9,5,31,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 4,4'-(2-pyridylmethylene)di-, diacetate (ester)",603-50-9,2391,[4-[(4-acetyloxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate,CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=N3,"InChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3",KHOITXIGCFIULA-UHFFFAOYSA-N,C22H19NO4,361.4,361.1314081,3.8,65.5,457,0,0,5,7,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 4,4'-(2-pyridinylmethylene)bis-, mono(hydrogen sulfate) (ester), monosodium salt",32500-19-9,122672177,sodium [4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenyl] sulfate,C1=CC=NC(=C1)C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)OS(=O)(=O)[O-].[Na+],"InChI=1S/C18H15NO5S.Na/c20-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(11-7-14)24-25(21,22)23;/h1-12,18,20H,(H,21,22,23);/q;+1/p-1",JHXGMACYSBECRB-UHFFFAOYSA-M,C18H14NNaO5S,379.4,379.049038,,108,510,0,1,6,5,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6-Pteridinemethanol, 2-amino-4-hydroxy-",712-29-8,135415975,2-amino-6-(hydroxymethyl)-3H-pteridin-4-one,C1=C(N=C2C(=O)NC(=NC2=N1)N)CO,"InChI=1S/C7H7N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1,13H,2H2,(H3,8,9,11,12,14)",XGWIBNWDLMIPNF-UHFFFAOYSA-N,C7H7N5O2,193.16,193.0599745,-2.2,113,279,0,3,5,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4(1H)-Pteridinone, 2-amino-6-((1S,2R)-1,2,3-trihydroxypropyl)-",2009-64-5,135398721,"2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-3H-pteridin-4-one",C1=C(N=C2C(=O)NC(=NC2=N1)N)[C@@H]([C@@H](CO)O)O,"InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6+/m1/s1",BMQYVXCPAOLZOK-XINAWCOVSA-N,C9H11N5O4,253.22,253.0811039,-3.5,154,363,0,5,7,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4(1H)-Pteridinone, 2-amino-",2236-60-4,135398660,2-amino-3H-pteridin-4-one,C1=CN=C2C(=N1)C(=O)NC(=N2)N,"InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12)",HNXQXTQTPAJEJL-UHFFFAOYSA-N,C6H5N5O,163.14,163.0494098,-1.4,93.3,238,0,2,4,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4(3H)-Pteridinone, 2-amino-6-(L-erythro-1,2-dihydroxypropyl)-",22150-76-1,135403659,"2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-3H-pteridin-4-one",C[C@@H]([C@@H](C1=CN=C2C(=N1)C(=O)NC(=N2)N)O)O,"InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6-/m0/s1",LHQIJBMDNUYRAM-DZSWIPIPSA-N,C9H11N5O3,237.22,237.0861892,-2.4,134,348,0,4,6,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiazolidine, 2-(p-nitrophenyl)-",831-25-4,2771066,"2-(4-nitrophenyl)-1,3-thiazolidine",C1CSC(N1)C2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C9H10N2O2S/c12-11(13)8-3-1-7(2-4-8)9-10-5-6-14-9/h1-4,9-10H,5-6H2",FMRGPMCASSSEHQ-UHFFFAOYSA-N,C9H10N2O2S,210.26,210.0462987,1.7,83.2,211,0,1,4,1,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiazolidine, 2-(m-bromophenyl)-",67086-84-4,128756,"2-(3-bromophenyl)-1,3-thiazolidine",C1CSC(N1)C2=CC(=CC=C2)Br,"InChI=1S/C9H10BrNS/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6,9,11H,4-5H2",HCHIGNRMHLIEIN-UHFFFAOYSA-N,C9H10BrNS,244.15,242.97173,2.1,37.3,153,0,1,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiazolidine, 2-phenyl-",4569-82-8,20706,"2-phenyl-1,3-thiazolidine",C1CSC(N1)C2=CC=CC=C2,"InChI=1S/C9H11NS/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5,9-10H,6-7H2",NXOMVTLTYYYYPC-UHFFFAOYSA-N,C9H11NS,165.26,165.0612205,1.5,37.3,121,0,1,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3(2H)-Pyridazinone, 4,5-dichloro-",932-22-9,73247,"4,5-dichloro-1H-pyridazin-6-one",C1=NNC(=O)C(=C1Cl)Cl,"InChI=1S/C4H2Cl2N2O/c5-2-1-7-8-4(9)3(2)6/h1H,(H,8,9)",VJWXIRQLLGYIDI-UHFFFAOYSA-N,C4H2Cl2N2O,164.97,163.9544181,1,41.5,209,0,1,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3(2H)-Pyridazinone, 4,5-dichloro-2-methyl-",933-76-6,120462,"4,5-dichloro-2-methylpyridazin-3-one",CN1C(=O)C(=C(C=N1)Cl)Cl,"InChI=1S/C5H4Cl2N2O/c1-9-5(10)4(7)3(6)2-8-9/h2H,1H3",ACKBTCUMGAHRIE-UHFFFAOYSA-N,C5H4Cl2N2O,179,177.9700681,1.1,32.7,234,0,0,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"3(2H)-Pyridazinone, 4,5-dibromo-2-methyl-",13645-74-4,203012,"4,5-dibromo-2-methylpyridazin-3-one",CN1C(=O)C(=C(C=N1)Br)Br,"InChI=1S/C5H4Br2N2O/c1-9-5(10)4(7)3(6)2-8-9/h2H,1H3",SLVVMPLOQDFREV-UHFFFAOYSA-N,C5H4Br2N2O,267.91,267.86699,1.3,32.7,234,0,0,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3(2H)-Pyridazinone, 4,5-dihydro-2-methyl-6-(2-(trifluoromethyl)-1H-benzimidazol-5-yl)-",60957-58-6,68153,1H-pyridazin-6-one,C1=CC(=O)NN=C1,"InChI=1S/C4H4N2O/c7-4-2-1-3-5-6-4/h1-3H,(H,6,7)",AAILEWXSEQLMNI-UHFFFAOYSA-N,C4H4N2O,96.09,96.03236276,-0.7,41.5,137,0,1,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzothiazole, 4,5,6,7-tetrahydro-2-amino-",2933-29-1,18046,"4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine",C1CCC2=C(C1)N=C(S2)N,"InChI=1S/C7H10N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H2,(H2,8,9)",SMWAOXCEPHEGFV-UHFFFAOYSA-N,C7H10N2S,154.24,154.0564695,1.5,67.2,129,0,1,3,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N(sup 6)-propyl-, dihydrochloride, (6S)-",104632-25-9,119569,"(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;dihydrochloride",CCCN[C@H]1CCC2=C(C1)SC(=N2)N.Cl.Cl,"InChI=1S/C10H17N3S.2ClH/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;;/h7,12H,2-6H2,1H3,(H2,11,13);2*1H/t7-;;/m0../s1",QMNWXHSYPXQFSK-KLXURFKVSA-N,C10H19Cl2N3S,284.2,283.0676742,,79.2,188,0,4,4,3,16,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N(sup 6)-propyl-, dihydrochloride, (6R)-",104632-27-1,51052075,"(6R)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;dihydrochloride",CCCN[C@@H]1CCC2=C(C1)SC(=N2)N.Cl.Cl,"InChI=1S/C10H17N3S.2ClH/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;;/h7,12H,2-6H2,1H3,(H2,11,13);2*1H/t7-;;/m1../s1",QMNWXHSYPXQFSK-XCUBXKJBSA-N,C10H19Cl2N3S,284.2,283.0676742,,79.2,188,0,4,4,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N(sup 6)-propyl-, (6S)-",104632-26-0,119570,"(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine",CCCN[C@H]1CCC2=C(C1)SC(=N2)N,"InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1",FASDKYOPVNHBLU-ZETCQYMHSA-N,C10H17N3S,211.33,211.1143187,1.9,79.2,188,0,2,4,3,14,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"Indazole, 3-chloro-5-nitro-",4812-45-7,78534,3-chloro-5-nitro-2H-indazole,C1=CC2=NNC(=C2C=C1[N+](=O)[O-])Cl,"InChI=1S/C7H4ClN3O2/c8-7-5-3-4(11(12)13)1-2-6(5)9-10-7/h1-3H,(H,9,10)",UOWPRWCAMGTPHI-UHFFFAOYSA-N,C7H4ClN3O2,197.58,196.9992041,2.3,74.5,220,0,1,3,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indazole-3-acetic acid, 5-chloro-, ethyl ester",27512-72-7,119653,ethyl 2-(5-chloro-2H-indazol-3-yl)acetate,CCOC(=O)CC1=C2C=C(C=CC2=NN1)Cl,"InChI=1S/C11H11ClN2O2/c1-2-16-11(15)6-10-8-5-7(12)3-4-9(8)13-14-10/h3-5H,2,6H2,1H3,(H,13,14)",GLPZEHFBLBYFHN-UHFFFAOYSA-N,C11H11ClN2O2,238.67,238.0509053,2.4,55,262,0,1,3,4,16,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1H-Indazole, 3-chloro-6-nitro-",50593-68-5,96652,3-chloro-6-nitro-2H-indazole,C1=CC2=C(NN=C2C=C1[N+](=O)[O-])Cl,"InChI=1S/C7H4ClN3O2/c8-7-5-2-1-4(11(12)13)3-6(5)9-10-7/h1-3H,(H,9,10)",IBTQINLHMGQUJU-UHFFFAOYSA-N,C7H4ClN3O2,197.58,196.9992041,2.3,74.5,220,0,1,3,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1-benzoyl-2-thio-3-(p-tolyl)-",6281-61-4,2787704,N-[(4-methylphenyl)carbamothioyl]benzamide,CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2,"InChI=1S/C15H14N2OS/c1-11-7-9-13(10-8-11)16-15(19)17-14(18)12-5-3-2-4-6-12/h2-10H,1H3,(H2,16,17,18,19)",KZULWIHHNWYETK-UHFFFAOYSA-N,C15H14N2OS,270.4,270.0826843,4.4,73.2,318,0,2,2,2,19,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 1-benzoyl-3-(2-chlorophenyl)-2-thio-",21258-05-9,692093,N-[(2-chlorophenyl)carbamothioyl]benzamide,C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2Cl,"InChI=1S/C14H11ClN2OS/c15-11-8-4-5-9-12(11)16-14(19)17-13(18)10-6-2-1-3-7-10/h1-9H,(H2,16,17,18,19)",XMAAUITXMKFGNA-UHFFFAOYSA-N,C14H11ClN2OS,290.8,290.0280618,4.1,73.2,331,0,2,2,2,19,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Morpholine, 4-(p-tolylsulfonyl)-",6339-26-0,80645,4-(4-methylphenyl)sulfonylmorpholine,CC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2,"InChI=1S/C11H15NO3S/c1-10-2-4-11(5-3-10)16(13,14)12-6-8-15-9-7-12/h2-5H,6-9H2,1H3",NBTTYMBZXDHFCP-UHFFFAOYSA-N,C11H15NO3S,241.31,241.0772645,1.1,55,309,0,0,4,2,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Morpholine, 4-((p-bromophenyl)sulfonyl)-",,253128,4-(4-bromophenyl)sulfonylmorpholine,C1COCCN1S(=O)(=O)C2=CC=C(C=C2)Br,"InChI=1S/C10H12BrNO3S/c11-9-1-3-10(4-2-9)16(13,14)12-5-7-15-8-6-12/h1-4H,5-8H2",JWJRLABLXQZFAR-UHFFFAOYSA-N,C10H12BrNO3S,306.18,304.97213,1.4,55,313,0,0,4,2,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Formamide, N-((1-benzyl-4-phenyl-4-piperidyl)methyl)-",9/2/52,23538,N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]formamide,C1CN(CCC1(CNC=O)C2=CC=CC=C2)CC3=CC=CC=C3,"InChI=1S/C20H24N2O/c23-17-21-16-20(19-9-5-2-6-10-19)11-13-22(14-12-20)15-18-7-3-1-4-8-18/h1-10,17H,11-16H2,(H,21,23)",VPSVRBGAMQZWAC-UHFFFAOYSA-N,C20H24N2O,308.4,308.1888634,3.3,32.3,351,0,1,2,5,23,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Piperidinecarboxaldehyde, 1-benzyl-4-phenyl-",26979-21-5,96727,1-benzyl-4-phenylpiperidine-4-carbaldehyde,C1CN(CCC1(C=O)C2=CC=CC=C2)CC3=CC=CC=C3,"InChI=1S/C19H21NO/c21-16-19(18-9-5-2-6-10-18)11-13-20(14-12-19)15-17-7-3-1-4-8-17/h1-10,16H,11-15H2",ZBQJTCFWWZXZBG-UHFFFAOYSA-N,C19H21NO,279.4,279.1623143,3.2,20.3,320,0,0,2,4,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Piperidinol, 1-benzyl-4-phenyl-, hydrochloride",88783-32-8,3021339,1-benzyl-4-phenylpiperidin-4-ol;hydrochloride,C1CN(CCC1(C2=CC=CC=C2)O)CC3=CC=CC=C3.Cl,"InChI=1S/C18H21NO.ClH/c20-18(17-9-5-2-6-10-17)11-13-19(14-12-18)15-16-7-3-1-4-8-16;/h1-10,20H,11-15H2;1H",CHTOBNYJEQFCHA-UHFFFAOYSA-N,C18H22ClNO,303.8,303.138992,,23.5,284,0,2,2,3,21,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Isopeconitrile, 1-benzyl-4-phenyl-, hydrochloride",,12652062,1-benzyl-4-phenylpiperidine-4-carbonitrile;hydrochloride,C1CN(CCC1(C#N)C2=CC=CC=C2)CC3=CC=CC=C3.Cl,"InChI=1S/C19H20N2.ClH/c20-16-19(18-9-5-2-6-10-18)11-13-21(14-12-19)15-17-7-3-1-4-8-17;/h1-10H,11-15H2;1H",SPXFNRMZPRHYRH-UHFFFAOYSA-N,C19H21ClN2,312.8,312.1393264,,27,360,0,1,2,3,22,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-Anthracenedione, 8-(beta-D-glucopyranosyloxy)-1-hydroxy-3-methyl-",13241-28-6,442731,"1-hydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione",CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,"InChI=1S/C21H20O9/c1-8-5-10-14(11(23)6-8)18(26)15-9(16(10)24)3-2-4-12(15)29-21-20(28)19(27)17(25)13(7-22)30-21/h2-6,13,17,19-23,25,27-28H,7H2,1H3/t13-,17-,19+,20-,21-/m1/s1",WMMOMSNMMDMSRB-JNHRPPPUSA-N,C21H20O9,416.4,416.1107322,1.3,154,669,0,5,9,3,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Glucopyranoside, 3,8-dihydroxy-6-methyl-1-anthraquinonyl-, beta-D-",23313-21-5,99649,"1,6-dihydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione",CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,"InChI=1S/C21H20O10/c1-7-2-9-14(11(24)3-7)18(27)15-10(16(9)25)4-8(23)5-12(15)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17-,19+,20-,21-/m1/s1",HSWIRQIYASIOBE-JNHRPPPUSA-N,C21H20O10,432.4,432.1056468,0.9,174,700,0,6,10,3,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-Anthracenedione, 8-(beta-D-glucopyranosyloxy)-1-hydroxy-3-(hydroxymethyl)-",33037-46-6,5317644,"1-hydroxy-3-(hydroxymethyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione",C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C2=O)C=C(C=C4O)CO,"InChI=1S/C21H20O10/c22-6-8-4-10-14(11(24)5-8)18(27)15-9(16(10)25)2-1-3-12(15)30-21-20(29)19(28)17(26)13(7-23)31-21/h1-5,13,17,19-24,26,28-29H,6-7H2/t13-,17-,19+,20-,21-/m1/s1",KIZBWUUJNJEYCM-JNHRPPPUSA-N,C21H20O10,432.4,432.1056468,0,174,685,0,6,10,4,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Anthracenecarboxylic acid, 5-(beta-D-glucopyranosyloxy)-9,10-dihydro-4-hydroxy-9,10-dioxo-",34298-86-7,5320961,"4-hydroxy-9,10-dioxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-2-carboxylic acid",C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C2=O)C=C(C=C4O)C(=O)O,"InChI=1S/C21H18O11/c22-6-12-16(25)18(27)19(28)21(32-12)31-11-3-1-2-8-14(11)17(26)13-9(15(8)24)4-7(20(29)30)5-10(13)23/h1-5,12,16,18-19,21-23,25,27-28H,6H2,(H,29,30)/t12-,16-,18+,19-,21-/m1/s1",WYKUTTFFZMQCGO-HTRBZNBPSA-N,C21H18O11,446.4,446.0849114,0.4,191,756,0,6,11,4,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-Benzisothiazole, 3-chloro-5-nitro-",30747-87-6,198098,"3-chloro-5-nitro-1,2-benzothiazole",C1=CC2=C(C=C1[N+](=O)[O-])C(=NS2)Cl,InChI=1S/C7H3ClN2O2S/c8-7-5-3-4(10(11)12)1-2-6(5)13-9-7/h1-3H,JLKBGSBCVBKCBM-UHFFFAOYSA-N,C7H3ClN2O2S,214.63,213.9603762,3.1,87,223,0,0,4,0,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-Benzisothiazole-3-carboxylic acid",40991-34-2,94512,"1,2-benzothiazole-3-carboxylic acid",C1=CC=C2C(=C1)C(=NS2)C(=O)O,"InChI=1S/C8H5NO2S/c10-8(11)7-5-3-1-2-4-6(5)12-9-7/h1-4H,(H,10,11)",KTORKRBAIRTBCP-UHFFFAOYSA-N,C8H5NO2S,179.2,179.0040996,2.2,78.4,197,0,1,4,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-Benzisothiazol-5-amine",53473-85-1,198293,"1,2-benzothiazol-5-amine",C1=CC2=C(C=C1N)C=NS2,"InChI=1S/C7H6N2S/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,8H2",LPUJHVNRGNTQPL-UHFFFAOYSA-N,C7H6N2S,150.2,150.0251694,1.6,67.2,129,0,1,3,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-Benzisothiazol-5-amine, 3-chloro-",148193-30-0,198766,"3-chloro-1,2-benzothiazol-5-amine",C1=CC2=C(C=C1N)C(=NS2)Cl,"InChI=1S/C7H5ClN2S/c8-7-5-3-4(9)1-2-6(5)11-10-7/h1-3H,9H2",RDJGOLRFSSFEDL-UHFFFAOYSA-N,C7H5ClN2S,184.65,183.986197,2.6,67.2,155,0,1,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-, methanesulfonate (salt)",67227-57-0,49659,"9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;methanesulfonic acid",CS(=O)(=O)O.C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=C(C=C3)O,"InChI=1S/C16H16ClNO3.CH4O3S/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21;1-5(2,3)4/h1-4,7,13,18-21H,5-6,8H2;1H3,(H,2,3,4)",CVKUMNRCIJMVAR-UHFFFAOYSA-N,C17H20ClNO6S,401.9,401.0699862,,135,441,0,5,7,1,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-(3-methylphenyl)-3-(2-propenyl)-",74115-08-5,10020353,"9-chloro-5-(3-methylphenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol",CC1=CC(=CC=C1)C2CN(CCC3=C(C(=C(C=C23)O)O)Cl)CC=C,"InChI=1S/C20H22ClNO2/c1-3-8-22-9-7-15-16(11-18(23)20(24)19(15)21)17(12-22)14-6-4-5-13(2)10-14/h3-6,10-11,17,23-24H,1,7-9,12H2,2H3",HLNOXCRCYMOMLA-UHFFFAOYSA-N,C20H22ClNO2,343.8,343.1339066,4.2,43.7,432,0,2,3,3,24,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-3-Benzazepine-7,8-diol, 2,3,4,5-tetrahydro-1-phenyl-, hydrochloride, (1R)-",,6852375,"(5R)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;hydrochloride",C1CNC[C@@H](C2=CC(=C(C=C21)O)O)C3=CC=CC=C3.Cl,"InChI=1S/C16H17NO2.ClH/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11;/h1-5,8-9,14,17-19H,6-7,10H2;1H/t14-;/m1./s1",YEWHJCLOUYPAOH-PFEQFJNWSA-N,C16H18ClNO2,291.77,291.1026065,,52.5,290,0,4,3,1,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-3-Benzazepine-7,8-diol, 2,3,4,5-tetrahydro-1-phenyl-, hydrochloride",,147514,"5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;hydrochloride",C1CNCC(C2=CC(=C(C=C21)O)O)C3=CC=CC=C3.Cl,"InChI=1S/C16H17NO2.ClH/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11;/h1-5,8-9,14,17-19H,6-7,10H2;1H",YEWHJCLOUYPAOH-UHFFFAOYSA-N,C16H18ClNO2,291.77,291.1026065,,52.5,290,0,4,3,1,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1,2,4-Triazole-1-ethanol, beta-((4-chlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-,(S-(E))-",83657-17-4,6436639,"(E,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol",CC(C)(C)[C@@H](/C(=C\C1=CC=C(C=C1)Cl)/N2C=NC=N2)O,"InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+/t14-/m1/s1",YNWVFADWVLCOPU-MAUPQMMJSA-N,C15H18ClN3O,291.77,291.1138399,3.6,50.9,346,0,1,3,4,20,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-1,2,4-Triazole-1-ethanol, beta-((2,4-dichlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-,(R-(E))-",83657-18-5,6440728,"(E,3R)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol",CC(C)(C)[C@H](/C(=C\C1=C(C=C(C=C1)Cl)Cl)/N2C=NC=N2)O,"InChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3/b13-6+/t14-/m0/s1",FBOUIAKEJMZPQG-BLXFFLACSA-N,C15H17Cl2N3O,326.2,325.0748676,4.2,50.9,384,0,1,3,4,21,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,1
"1H-1,2,4-Triazole-1-ethanol, beta-((4-chlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-,(E)-(+-)-",83657-22-1,6436604,"(E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol",CC(C)(C)C(/C(=C\C1=CC=C(C=C1)Cl)/N2C=NC=N2)O,"InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+",YNWVFADWVLCOPU-MDWZMJQESA-N,C15H18ClN3O,291.77,291.1138399,3.6,50.9,346,0,1,3,4,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-1,2,4-Triazole-1-ethanol, beta-((2,4-dichlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-,(E)-",76714-88-0,6436605,"(E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol",CC(C)(C)C(/C(=C\C1=C(C=C(C=C1)Cl)Cl)/N2C=NC=N2)O,"InChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3/b13-6+",FBOUIAKEJMZPQG-AWNIVKPZSA-N,C15H17Cl2N3O,326.2,325.0748676,4.2,50.9,384,0,1,3,4,21,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Cyclohexanedione, 2-(2-chloro-4-(methylsulfonyl)benzoyl)-",99105-77-8,91760,"2-(2-chloro-4-methylsulfonylbenzoyl)cyclohexane-1,3-dione",CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl,"InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3",PQTBTIFWAXVEPB-UHFFFAOYSA-N,C14H13ClO5S,328.8,328.0172224,1.5,93.7,546,0,0,5,3,21,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,1,1,0
"1,3-Cyclohexanedione, 2-(2-chloro-4-(methylsulfonyl)-3-((2,2,2-trifluoroethoxy)methyl)benzoyl)-",335104-84-2,11556911,"2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione",CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC(F)(F)F,"InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3",IUQAXCIUEPFPSF-UHFFFAOYSA-N,C17H16ClF3O6S,440.8,440.0308216,2.2,103,714,0,0,9,6,28,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,1,1,0
"1,3-Cyclohexanedione, 2-(2-nitro-4-(trifluoromethyl)benzoyl)-",104206-65-7,115355,"2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione",C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-],"InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2",OUBCNLGXQFSTLU-UHFFFAOYSA-N,C14H10F3NO5,329.23,329.0511069,2.3,97,524,0,0,8,2,23,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"7H-1,3-Dioxolo(4,5-h)(2,3)benzodiazepine-7-carboxamide, 8,9-dihydro-5-(4-aminophenyl)-N,8-dimethyl-, monohydrochloride",143692-48-2,126757,"5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide;hydrochloride",CC1CC2=CC3=C(C=C2C(=NN1C(=O)NC)C4=CC=C(C=C4)N)OCO3.Cl,"InChI=1S/C19H20N4O3.ClH/c1-11-7-13-8-16-17(26-10-25-16)9-15(13)18(22-23(11)19(24)21-2)12-3-5-14(20)6-4-12;/h3-6,8-9,11H,7,10,20H2,1-2H3,(H,21,24);1H",ASLCSBBDVWPSQT-UHFFFAOYSA-N,C19H21ClN4O3,388.8,388.1302182,,89.2,561,0,3,5,1,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"7H-1,3-Dioxolo(4,5-h)(2,3)benzodiazepine, 8,9-dihydro-7-acetyl-5-(4-aminophenyl)-8-methyl-,(R)-",161832-65-1,164509,"1-[(8R)-5-(4-aminophenyl)-8-methyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-7-yl]ethanone",C[C@@H]1CC2=CC3=C(C=C2C(=NN1C(=O)C)C4=CC=C(C=C4)N)OCO3,"InChI=1S/C19H19N3O3/c1-11-7-14-8-17-18(25-10-24-17)9-16(14)19(21-22(11)12(2)23)13-3-5-15(20)6-4-13/h3-6,8-9,11H,7,10,20H2,1-2H3/t11-/m1/s1",JACAAXNEHGBPOQ-LLVKDONJSA-N,C19H19N3O3,337.4,337.1426415,2.7,77.2,544,0,1,5,1,25,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"7H-1,3-Dioxolo(4,5-h)(2,3)benzodiazepine, 7-acetyl-5-(4-aminophenyl)-8,9-dihydro-8-methyl-",143691-37-6,126756,"1-[5-(4-aminophenyl)-8-methyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-7-yl]ethanone",CC1CC2=CC3=C(C=C2C(=NN1C(=O)C)C4=CC=C(C=C4)N)OCO3,"InChI=1S/C19H19N3O3/c1-11-7-14-8-17-18(25-10-24-17)9-16(14)19(21-22(11)12(2)23)13-3-5-15(20)6-4-13/h3-6,8-9,11H,7,10,20H2,1-2H3",JACAAXNEHGBPOQ-UHFFFAOYSA-N,C19H19N3O3,337.4,337.1426415,2.7,77.2,544,0,1,5,1,25,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Quinazolinamine, N-(3-chlorophenyl)-6,7-dimethoxy-",153436-53-4,2051,"N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine",COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Cl)OC,"InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)",GFNNBHLJANVSQV-UHFFFAOYSA-N,C16H14ClN3O2,315.75,315.0774544,4,56.3,360,0,1,5,4,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Quinazolinamine, N-(3-bromophenyl)-6,7-dimethoxy-",153436-54-5,4705,"N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine",COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br)OC,"InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)",LSPANGZZENHZNJ-UHFFFAOYSA-N,C16H14BrN3O2,360.2,359.02694,4,56.3,360,0,1,5,4,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4-Quinazolinamine, N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-",183321-74-6,176870,"N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine",COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC,"InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)",AAKJLRGGTJKAMG-UHFFFAOYSA-N,C22H23N3O4,393.4,393.1688562,3.3,74.7,525,0,1,7,11,29,,,0,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
STRYCHNINE SULFATE,000060-41-3,22833295,"bis((4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one);sulfuric acid",C1CN2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2[C@@]61C7=CC=CC=C75.C1CN2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2[C@@]61C7=CC=CC=C75.OS(=O)(=O)O,"InChI=1S/2C21H22N2O2.H2O4S/c2*24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;1-5(2,3)4/h2*1-5,13,16-17,19-20H,6-11H2;(H2,1,2,3,4)/t2*13-,16-,17-,19-,20-,21+;/m00./s1",GOOCRIHPADOQAS-ZNUXJMJHSA-N,C42H46N4O8S,766.9,766.3036356,,149,771,0,2,10,0,55,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BRUCINE SULFATE,004845-99-2,24721400,"bis((4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one);sulfuric acid",COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC.COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC.OS(=O)(=O)O,"InChI=1S/2C23H26N2O4.H2O4S/c2*1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;1-5(2,3)4/h2*3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;(H2,1,2,3,4)/t2*13-,18-,19-,21-,22-,23+;/m00./s1",HCMSIGALSOEZRW-WIMNQIPBSA-N,C46H54N4O12S,887,886.3458943,,185,866,0,2,14,4,63,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Strychnidin-10-one, 2,3-dimethoxy-, sulfate (1:1), heptahydrate",60583-39-3,16211665,"bis((4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one);sulfuric acid;heptahydrate",COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC.COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC.O.O.O.O.O.O.O.OS(=O)(=O)O,"InChI=1S/2C23H26N2O4.H2O4S.7H2O/c2*1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;1-5(2,3)4;;;;;;;/h2*3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;(H2,1,2,3,4);7*1H2/t2*13-,18-,19-,21-,22-,23+;;;;;;;;/m00......../s1",PPJIVFYMRNHHTJ-JYGVWXPPSA-N,C46H68N4O19S,1013.1,1012.419847,,192,866,0,9,21,4,70,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"QUERCETIN 3-O-(6""-MALONYL)-BETA-D-GLUCOSIDE",096862-01-0,5282159,"3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid",C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O)O)O,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",NBQPHANHNTWDML-UJKBSQBPSA-N,C24H22O15,550.4,550.09587,0.1,250,967,0,8,15,8,39,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"beta-D-Glucopyranosiduronic acid, 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl",22688-78-4,5318759,"(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid",C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O,"InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)/t14-,15-,16+,19-,21+/m0/s1",FNTJVYCFNVUBOL-ZUGPOPFOSA-N,C21H18O12,462.4,462.079826,1,203,790,0,7,12,4,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-(3,4-DIHYDROXYPHENYL)-3-(BETA-D-GALACTOPYRANOSYLOXY)-5,7-DIHYDROXY-4H-1-BENZOPYRAN-4-ONE",000482-36-0,5281643,"2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one",C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",OVSQVDMCBVZWGM-DTGCRPNFSA-N,C21H20O12,464.4,464.0954761,0.4,207,758,0,8,12,4,33,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"SODIUM 3,4-DIOXONAPHTHALENE-1-SULPHONATE",000521-24-4,516996,"sodium 3,4-dioxonaphthalene-1-sulfonate",C1=CC=C2C(=C1)C(=CC(=O)C2=O)S(=O)(=O)[O-].[Na+],"InChI=1S/C10H6O5S.Na/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12;/h1-5H,(H,13,14,15);/q;+1/p-1",UBLXEEBHYISRFM-UHFFFAOYSA-M,C10H5NaO5S,260.2,259.9755387,,99.7,473,0,0,5,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-NAPHTHOQUINONE-4-SULFONIC ACID, POTASSIUM SALT",005908-27-0,23663536,"potassium 3,4-dioxonaphthalene-1-sulfonate",C1=CC=C2C(=C1)C(=CC(=O)C2=O)S(=O)(=O)[O-].[K+],"InChI=1S/C10H6O5S.K/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12;/h1-5H,(H,13,14,15);/q;+1/p-1",GJLHPWURQTWXMF-UHFFFAOYSA-M,C10H5KO5S,276.31,275.9494759,,99.7,473,0,0,5,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"1,2-NAPHTHOQUINONE",000524-42-5,10667,"naphthalene-1,2-dione",C1=CC=C2C(=C1)C=CC(=O)C2=O,InChI=1S/C10H6O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H,KETQAJRQOHHATG-UHFFFAOYSA-N,C10H6O2,158.15,158.0367794,1.5,34.1,253,0,0,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-(2-PYRIDYLAZO)RESORCINOL, MONOSODIUM SALT, MONOHYDRATE",016593-81-0,135442939,sodium;3-hydroxy-4-(pyridin-2-yldiazenyl)phenolate;hydrate,C1=CC=NC(=C1)N=NC2=C(C=C(C=C2)[O-])O.O.[Na+],"InChI=1S/C11H9N3O2.Na.H2O/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11;;/h1-7,15-16H;;1H2/q;+1;/p-1",KMHFHNVYQMFVAN-UHFFFAOYSA-M,C11H10N3NaO3,255.2,255.0619855,,81.9,253,0,2,6,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LIPASE,009001-62-1,135534490,"sodium 4-(pyridin-2-yldiazenyl)benzene-1,3-diol",C1=CC=NC(=C1)N=NC2=C(C=C(C=C2)O)O.[Na+],"InChI=1S/C11H9N3O2.Na/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11;/h1-7,15-16H;/q;+1",KZRPHCQLJZXMJV-UHFFFAOYSA-N,C11H9N3NaO2+,238.2,238.0592458,,78.1,247,1,2,5,2,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-, sulfate (2:1)",316-41-6,5351462,"16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene sulfate",COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[O-]S(=O)(=O)[O-],"InChI=1S/C20H18NO4.H2O4S/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;1-5(2,3)4/h3-4,7-10H,5-6,11H2,1-2H3;(H2,1,2,3,4)/q+1;/p-2",JISRTQBQFQMSLG-UHFFFAOYSA-L,C20H18NO8S-,432.4,432.0753127,,129,551,-1,0,8,2,30,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9-hydroxy-10-methoxy-, chloride",15401-69-1,72703,"17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-16-ol chloride",COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)O.[Cl-],"InChI=1S/C19H15NO4.ClH/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21;/h2-3,6-9H,4-5,10H2,1H3;1H",GYFSYEVKFOOLFZ-UHFFFAOYSA-N,C19H16ClNO4,357.8,357.0767857,,51.8,474,0,1,5,1,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Piperidinecarboxylic acid, 1-(5-((aminoiminomethyl)amino)-1-oxo-2-(((1,2,3,4",141396-28-3,92721,"(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid;hydrate",C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C.O,"InChI=1S/C23H36N6O5S.H2O/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19;/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26);1H2/t14-,15?,17+,18-;/m1./s1",AIEZTKLTLCMZIA-CZSXTPSTSA-N,C23H38N6O6S,526.7,526.2573541,,190,887,0,6,9,9,36,,,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-Piperidinecarboxylic acid, 1-((2S)-5-((aminoiminomethyl)amino)-1-oxo-2-(((1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl)amino)pentyl)-4-methyl-, (2R,4R)-",74863-84-6,92722,"(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid",C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C,"InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1",KXNPVXPOPUZYGB-IOVMHBDKSA-N,C23H36N6O5S,508.6,508.2467894,1.3,189,887,0,5,8,9,35,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-Piperidinecarboxylic acid, 1-(5-((aminoiminomethyl)amino)-1-oxo-2-(((1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl)amino)pentyl)-4-methyl-, hydrate, (2R-(1(S*(R*)),2-alpha,4-beta))-",121785-71-5,152951,"(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid",C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NC[C@@H](C3)C,"InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15-,17+,18-/m1/s1",KXNPVXPOPUZYGB-XYVMCAHJSA-N,C23H36N6O5S,508.6,508.2467894,1.3,189,887,0,5,8,9,35,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,5-DIHYDROFURAN",001708-29-8,15570,"2,5-dihydrofuran",C1C=CCO1,"InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2",ARGCQEVBJHPOGB-UHFFFAOYSA-N,C4H6O,70.09,70.04186481,0.5,9.2,41,0,0,1,0,5,,,0,1,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"FURAN, 2,5-DIHYDRO-2,5-DIMETHOXY-",000332-77-4,78974,"2,5-dimethoxy-2,5-dihydrofuran",COC1C=CC(O1)OC,"InChI=1S/C6H10O3/c1-7-5-3-4-6(8-2)9-5/h3-6H,1-2H3",WXFWXFIWDGJRSC-UHFFFAOYSA-N,C6H10O3,130.14,130.0629942,0.3,27.7,98,0,0,3,2,9,,,0,0,1,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"FURAN, 2,5-DIHYDRO-2,5-DIMETHOXY-2-METHYL-",022414-24-0,90772,"2,5-dimethoxy-5-methyl-2H-furan",CC1(C=CC(O1)OC)OC,"InChI=1S/C7H12O3/c1-7(9-3)5-4-6(8-2)10-7/h4-6H,1-3H3",ODARVONGEVVSAG-UHFFFAOYSA-N,C7H12O3,144.17,144.0786442,0.5,27.7,144,0,0,3,2,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
CYCLOHEPTATRIENE,000544-25-2,11000,"cyclohepta-1,3,5-triene",C1C=CC=CC=C1,"InChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2",CHVJITGCYZJHLR-UHFFFAOYSA-N,C7H8,92.14,92.06260026,2.6,0,102,0,0,0,0,7,,,0,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Molybdenum, tricarbonyl(1,3,5-cycloheptatriene)-",12125-77-8,11716002,"carbon monoxide;cyclohepta-1,3,5-triene;molybdenum",[C-]#[O+].[C-]#[O+].[C-]#[O+].C1C=CC=CC=C1.[Mo],"InChI=1S/C7H8.3CO.Mo/c1-2-4-6-7-5-3-1;3*1-2;/h1-6H,7H2;;;;",WQAVHVQYKSYTII-UHFFFAOYSA-N,C10H8MoO3,272.12,273.952748,,3,112,0,0,3,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Chromium, tricarbonyl((1,2,4,5,6-eta)-1,3,5-cycloheptatriene)-",12125-72-3,54606304,"carbon monoxide;chromium;cyclohepta-1,3,5-triene",[C-]#[O+].[C-]#[O+].[C-]#[O+].C1C=CC=CC=C1.[Cr],"InChI=1S/C7H8.3CO.Cr/c1-2-4-6-7-5-3-1;3*1-2;/h1-6H,7H2;;;;",RTJMWZLRYSYOEK-UHFFFAOYSA-N,C10H8CrO3,228.16,227.987849,,3,216,0,0,3,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-DIHYDROFURAN",001191-99-7,70934,"2,3-dihydrofuran",C1COC=C1,"InChI=1S/C4H6O/c1-2-4-5-3-1/h1,3H,2,4H2",JKTCBAGSMQIFNL-UHFFFAOYSA-N,C4H6O,70.09,70.04186481,0.8,9.2,47,0,0,1,0,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"4-METHYL-2,3-DIHYDROFURAN",034314-83-5,36744,"4-methyl-2,3-dihydrofuran",CC1=COCC1,"InChI=1S/C5H8O/c1-5-2-3-6-4-5/h4H,2-3H2,1H3",FWGYRFWKBWPRJD-UHFFFAOYSA-N,C5H8O,84.12,84.05751487,0.7,9.2,74,0,0,1,0,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,3-DIHYDRO-5-METHYLFURAN",001487-15-6,15145,"5-methyl-2,3-dihydrofuran",CC1=CCCO1,"InChI=1S/C5H8O/c1-5-3-2-4-6-5/h3H,2,4H2,1H3",BGCWDXXJMUHZHE-UHFFFAOYSA-N,C5H8O,84.12,84.05751487,1.2,9.2,74,0,0,1,0,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1H-PYRROLE, 2,5-DIHYDRO-",000109-96-6,66059,"2,5-dihydro-1H-pyrrole",C1C=CCN1,"InChI=1S/C4H7N/c1-2-4-5-3-1/h1-2,5H,3-4H2",JVQIKJMSUIMUDI-UHFFFAOYSA-N,C4H7N,69.11,69.05784923,0,12,41,0,1,1,0,5,,,0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"1H-PYRROLE-3-CARBOXAMIDE, 2,5-DIHYDRO-2,2,5,5-TETRAMETHYL-",019805-75-5,88255,"2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide",CC1(C=C(C(N1)(C)C)C(=O)N)C,"InChI=1S/C9H16N2O/c1-8(2)5-6(7(10)12)9(3,4)11-8/h5,11H,1-4H3,(H2,10,12)",ACFYUJLIWIDSFM-UHFFFAOYSA-N,C9H16N2O,168.24,168.1262631,-0.2,55.1,251,0,2,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyrroline, N-nitroso-",10552-94-0,25371,"1-nitroso-2,5-dihydropyrrole",C1C=CCN1N=O,"InChI=1S/C4H6N2O/c7-5-6-3-1-2-4-6/h1-2H,3-4H2",OKFHTQFXGQXDEX-UHFFFAOYSA-N,C4H6N2O,98.1,98.04801282,0.3,32.7,91,0,0,3,0,7,,,0,0,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"CYCLOBUTANE, METHYLENE-",001120-56-5,14262,methylidenecyclobutane,C=C1CCC1,InChI=1S/C5H8/c1-5-3-2-4-5/h1-4H2,QIRVGKYPAOQVNP-UHFFFAOYSA-N,C5H8,68.12,68.06260026,1.5,0,47,0,0,0,0,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Cyclobutanecarbonitrile, 3-methylene-",15760-35-7,27474,3-methylidenecyclobutane-1-carbonitrile,C=C1CC(C1)C#N,"InChI=1S/C6H7N/c1-5-2-6(3-5)4-7/h6H,1-3H2",ZRWMAMOBIQQJSA-UHFFFAOYSA-N,C6H7N,93.13,93.05784923,0.7,23.8,130,0,0,1,0,7,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,1
DICYCLOPENTADIENE,000077-73-6,6492,"tricyclo[5.2.1.02,6]deca-3,8-diene",C1C=CC2C1C3CC2C=C3,"InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2",HECLRDQVFMWTQS-UHFFFAOYSA-N,C10H12,132.2,132.0939004,2.5,0,212,0,0,0,0,10,"90 °F (NTP, 1992)","342 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,1
"(1S,3S)-TRANS-4-CARENE",005208-50-4,16211587,"(1R,4S,6S)-4,7,7-trimethylbicyclo[4.1.0]hept-2-ene",C[C@H]1C[C@H]2[C@H](C2(C)C)C=C1,"InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4-5,7-9H,6H2,1-3H3/t7-,8-,9+/m1/s1",LGNSZMLHOYDATP-HLTSFMKQSA-N,C10H16,136.23,136.1252005,3.3,0,176,0,0,0,0,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"BICYCLO[4.1.0]HEPT-2-ENE, 3,7,7-TRIMETHYL-, (1S)-",004497-92-1,78249,"(1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene",CC1=C[C@H]2[C@H](C2(C)C)CC1,"InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h6,8-9H,4-5H2,1-3H3/t8-,9+/m1/s1",IBVJWOMJGCHRRW-BDAKNGLRSA-N,C10H16,136.23,136.1252005,2.8,0,186,0,0,0,0,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
(-)-ALPHA-CEDRENE,000469-61-4,6431015,"(1S,2R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene",C[C@@H]1CC[C@@H]2[C@]13CC=C([C@H](C3)C2(C)C)C,"InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1",IRAQOCYXUMOFCW-OSFYFWSMSA-N,C15H24,204.35,204.1878008,4.6,0,323,0,0,0,0,15,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
CEDRENE,011028-42-5,521207,"2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene",CC1CCC2C13CC=C(C(C3)C2(C)C)C,"InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3",IRAQOCYXUMOFCW-UHFFFAOYSA-N,C15H24,204.35,204.1878008,4.6,0,323,0,0,0,0,15,,,1,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
AZOCANE,001121-92-2,14276,azocane,C1CCCNCCC1,"InChI=1S/C7H15N/c1-2-4-6-8-7-5-3-1/h8H,1-7H2",QXNDZONIWRINJR-UHFFFAOYSA-N,C7H15N,113.2,113.1204495,1.5,12,46,0,1,1,0,8,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"Guanidine, (2-(hexahydro-1(2H)-azocinyl)ethyl)-, sulfate (1:1)",645-43-2,86471,2-[2-(azocan-1-yl)ethyl]guanidine;sulfuric acid,C1CCCN(CCC1)CCN=C(N)N.OS(=O)(=O)O,"InChI=1S/C10H22N4.H2O4S/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14;1-5(2,3)4/h1-9H2,(H4,11,12,13);(H2,1,2,3,4)",YUFWAVFNITUSHI-UHFFFAOYSA-N,C10H24N4O4S,296.39,296.1518264,,151,248,0,4,6,3,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Azocine, octahydro-1-nitroso-",20917-49-1,30360,1-nitrosoazocane,C1CCCN(CCC1)N=O,InChI=1S/C7H14N2O/c10-8-9-6-4-2-1-3-5-7-9/h1-7H2,RCFKQVLHWYOSFF-UHFFFAOYSA-N,C7H14N2O,142.2,142.1106131,1.5,32.7,97,0,0,3,0,10,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DISALICYLALPROPYLENEDIIMINE,000094-91-7,7210,2-[2-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol,CC(CN=CC1=CC=CC=C1O)N=CC2=CC=CC=C2O,"InChI=1S/C17H18N2O2/c1-13(19-12-15-7-3-5-9-17(15)21)10-18-11-14-6-2-4-8-16(14)20/h2-9,11-13,20-21H,10H2,1H3",RURPJGZXBHYNEM-UHFFFAOYSA-N,C17H18N2O2,282.34,282.1368278,2.5,65.2,357,0,2,4,5,21,,,0,0,0,1,0,0,1,1,1,0,0,0,0,1,0,0,1,1,0,0
"N,N'-DISALICYLIDENE ETHYLENEDIAMINE",000094-93-9,26518,2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol,C1=CC=C(C(=C1)C=NCCN=CC2=CC=CC=C2O)O,"InChI=1S/C16H16N2O2/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20/h1-8,11-12,19-20H,9-10H2",VEUMANXWQDHAJV-UHFFFAOYSA-N,C16H16N2O2,268.31,268.1211778,2.1,65.2,298,0,2,4,5,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SALCOMINE,014167-18-1,26517,cobalt(2+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate,C1=CC=C(C(=C1)C=NCCN=CC2=CC=CC=C2[O-])[O-].[Co+2],"InChI=1S/C16H16N2O2.Co/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;/h1-8,11-12,19-20H,9-10H2;/q;+2/p-2",NPAQSKHBTMUERN-UHFFFAOYSA-L,C16H14CoN2O2,325.23,325.038721,,70.8,298,0,0,4,5,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXENE, 3-METHYLENE-6-(1-METHYLETHYL)-",000555-10-2,11142,3-methylidene-6-propan-2-ylcyclohexene,CC(C)C1CCC(=C)C=C1,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3",LFJQCDVYDGGFCH-UHFFFAOYSA-N,C10H16,136.23,136.1252005,3.4,0,151,0,0,0,1,10,120 °F.,171.00 to 174.00 °C. @ 760.00 mm Hg,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Cyclohexene, 6-(3,7-dimethyl-2,4,6,8-nonatetraenylidene)-1,5,5-trimethyl-, (al",001224-78-8,5287678,"(6E)-6-[(2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraenylidene]-1,5,5-trimethylcyclohexene",CC\1=CCCC(/C1=C\C=C(/C)\C=C\C=C(/C)\C=C)(C)C,"InChI=1S/C20H28/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h7-8,10-14H,1,9,15H2,2-6H3/b11-8+,16-10+,17-13+,19-14-",FWNRILWHNGFAIN-OYUWDNMLSA-N,C20H28,268.4,268.2191009,6.9,0,502,0,0,0,4,20,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,1,0,0
"Propanedinitrile, (3,5,5-trimethyl-2-cyclohexen-1-ylidene)-",23051-44-7,98894,"2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propanedinitrile",CC1=CC(=C(C#N)C#N)CC(C1)(C)C,"InChI=1S/C12H14N2/c1-9-4-10(11(7-13)8-14)6-12(2,3)5-9/h4H,5-6H2,1-3H3",QTUUBOZSGQFLRZ-UHFFFAOYSA-N,C12H14N2,186.25,186.1156985,2.2,47.6,386,0,0,2,0,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
4-METHYL-2-OXETANONE,003068-88-0,18303,4-methyloxetan-2-one,CC1CC(=O)O1,"InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3",GSCLMSFRWBPUSK-UHFFFAOYSA-N,C4H6O2,86.09,86.03677943,0.3,26.3,77,0,0,2,0,6,"140 °F (NTP, 1992)","160 to 163 °F at 29 mmHg (NTP, 1992)",0,0,0,0,0,1,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"L-Leucine, N-formyl-, (1S)-1-(((2S,3S)-3-hexyl-4-oxo-2-oxetanyl)methyl)dodecyl ester",96829-58-2,3034010,"[(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methylpentanoate",CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O,"InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1",AHLBNYSZXLDEJQ-FWEHEUNISA-N,C29H53NO5,495.7,495.3923738,10,81.7,579,0,1,5,23,35,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BETA-PROPIOLACTONE,000057-57-8,2365,oxetan-2-one,C1COC1=O,InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2,VEZXCJBBBCKRPI-UHFFFAOYSA-N,C3H4O2,72.06,72.02112937,-0.2,26.3,57,0,0,2,0,5,"158 °F (EPA, 1998)","324 °F at 760 mmHg decomposes (EPA, 1998)",0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PURPALD,001750-12-5,2723946,"4-amino-3-hydrazinyl-1H-1,2,4-triazole-5-thione",C1(=S)NN=C(N1N)NN,"InChI=1S/C2H6N6S/c3-5-1-6-7-2(9)8(1)4/h3-4H2,(H,5,6)(H,7,9)",RDIMQHBOTMWMJA-UHFFFAOYSA-N,C2H6N6S,146.18,146.0374654,-1.1,124,162,0,4,4,1,9,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4,5-dimethyl-",38942-50-6,2063529,"3,4-dimethyl-1H-1,2,4-triazole-5-thione",CC1=NNC(=S)N1C,"InChI=1S/C4H7N3S/c1-3-5-6-4(8)7(3)2/h1-2H3,(H,6,8)",OTVCBBXLGYYSNC-UHFFFAOYSA-N,C4H7N3S,129.19,129.0360684,0,59.7,151,0,1,2,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PENTAMETHYLCYCLOPENTADIENYLRHODIUM(III) CHLORIDE DIMER,012354-85-7,71310421,"bis(dichlororhodium(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)",C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.Cl[Rh+]Cl.Cl[Rh+]Cl,InChI=1S/2C10H15.4ClH.2Rh/c2*1-6-7(2)9(4)10(5)8(6)3;;;;;;/h2*1-5H3;4*1H;;/q2*-1;;;;;2*+3/p-4,AUBQNRPCZLEJIZ-UHFFFAOYSA-J,C20H30Cl4Rh2,618.1,617.9182,,0,75,0,0,2,0,26,,,0,1,1,1,0,0,1,1,0,1,0,0,0,0,0,0,1,0,0,1
DICHLORO(PENTAMETHYLCYCLOPENTADIENYL)IRIDIUM (III) DIMER,012354-84-6,76030743,"bis(iridium(3+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);tetrachloride",C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Ir+3].[Ir+3],InChI=1S/2C10H15.4ClH.2Ir/c2*1-6-7(2)9(4)10(5)8(6)3;;;;;;/h2*1-5H3;4*1H;;/q2*-1;;;;;2*+3/p-4,MMAGMBCAIFVRGJ-UHFFFAOYSA-J,C20H30Cl4Ir2,796.7,796.03073,,0,72,0,0,6,0,26,,,0,1,1,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,1
"METHYL 1H-BENZOTRIAZOLE-1-CARBOXYLATE, 3-OXIDE",,11148235,methyl 3-oxidobenzotriazol-3-ium-1-carboxylate,COC(=O)N1C2=CC=CC=C2[N+](=N1)[O-],"InChI=1S/C8H7N3O3/c1-14-8(12)10-6-4-2-3-5-7(6)11(13)9-10/h2-5H,1H3",FJAORCXXKUNDMQ-UHFFFAOYSA-N,C8H7N3O3,193.16,193.0487411,1.6,69.6,236,0,0,4,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"O-BENZOTRIAZOL-1-YL-N,N,N',N'-TETRAMETHYLURONIUM HEXAFLUOROPHOSPHATE",094790-37-1,51341376,[dimethylamino-(3-oxidobenzotriazol-3-ium-1-yl)methylidene]-dimethylazanium hexafluorophosphate,CN(C)C(=[N+](C)C)N1C2=CC=CC=C2[N+](=N1)[O-].F[P-](F)(F)(F)(F)F,"InChI=1S/C11H16N5O.F6P/c1-13(2)11(14(3)4)15-9-7-5-6-8-10(9)16(17)12-15;1-7(2,3,4,5)6/h5-8H,1-4H3;/q+1;-1",BSKUEERROYGAFF-UHFFFAOYSA-N,C11H16F6N5OP,379.24,379.0996661,,49.5,363,0,0,9,2,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Ergotoxine, dihydro-, methanesulfonate",008067-24-1,592735,"N-[2-hydroxy-7-(2-methylbutan-2-yl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide",CCC(C)(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CC5C(CC6=CNC7=CC=CC5=C67)N(C4)C)O,"InChI=1S/C33H45N5O5/c1-7-31(4,5)27-29(40)37-13-9-12-25(37)33(42)38(27)30(41)32(43-33,18(2)3)35-28(39)20-14-22-21-10-8-11-23-26(21)19(16-34-23)15-24(22)36(6)17-20/h8,10-11,16,18,20,22,24-25,27,34,42H,7,9,12-15,17H2,1-6H3,(H,35,39)",YLXBZBPHTNJZQE-UHFFFAOYSA-N,C33H45N5O5,591.7,591.3420696,3.5,118,1180,0,3,6,5,43,,Decomposes,0,1,1,1,0,0,1,1,0,1,0,0,0,1,0,0,1,0,0,1
"Ergocornine, 9,10-dihydro-",025447-65-8,168871,"(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-2-hydroxy-5,8-dioxo-4,7-di(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide",CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4C[C@H]5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O,"InChI=1S/C31H41N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,14,16-17,19,21,23-24,26,32,40H,7,10-13,15H2,1-5H3,(H,33,37)/t19-,21-,23-,24+,26+,30-,31+/m1/s1",SEALOBQTUQIVGU-QNIJNHAOSA-N,C31H41N5O5,563.7,563.3107694,2.7,118,1120,0,3,6,4,41,,Decomposes,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'-alpha,10-alpha)-, monomethanesulfonate (salt)",14271-05-7,159729,"(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid",CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4C[C@H]5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O.CS(=O)(=O)O,"InChI=1S/C32H43N5O5.CH4O3S/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20;1-5(2,3)4/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38);1H3,(H,2,3,4)/t20-,22-,24-,25+,26+,31-,32+;/m1./s1",TZGKQIBPZOZAKF-PJLVGBPESA-N,C33H47N5O8S,673.8,673.3145347,,181,1230,0,4,9,5,47,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole, 3-aminoethyl-5-benzyloxy-",20776-45-8,89576,2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine,C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CCN,"InChI=1S/C17H18N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12,18H2",WKPDXBXNJWWWGQ-UHFFFAOYSA-N,C17H18N2O,266.34,266.1419132,2,51,291,0,2,2,5,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"1H-Indole-3-ethanamine, 5-(phenylmethoxy)-, hydrochloride (1:1)",52055-23-9,2828785,2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;hydrochloride,C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CCN.Cl,"InChI=1S/C17H18N2O.ClH/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13;/h1-7,10-11,19H,8-9,12,18H2;1H",IUWVJCIEWSQGHH-UHFFFAOYSA-N,C17H19ClN2O,302.8,302.1185909,,51,291,0,3,2,5,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
5-BENZYLOXYINDOLE,001215-59-4,14624,5-phenylmethoxy-1H-indole,C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3,"InChI=1S/C15H13NO/c1-2-4-12(5-3-1)11-17-14-6-7-15-13(10-14)8-9-16-15/h1-10,16H,11H2",JCQLPDZCNSVBMS-UHFFFAOYSA-N,C15H13NO,223.27,223.099714,3.6,25,237,0,1,1,3,17,,,0,1,1,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
BENZOYL PEROXIDE (>98%),000094-36-0,7187,benzoyl benzenecarboperoxoate,C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2,InChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H,OMPJBNCRMGITSC-UHFFFAOYSA-N,C14H10O4,242.23,242.0579088,3.5,52.6,258,0,0,4,5,18,"176 °F (NIOSH, 2024)","Decomposes explosively (NTP, 1992)",1,0,0,0,0,0,1,1,0,0,0,0,1,0,0,1,0,1,0,0
"PEROXIDE, BIS(4-CHLOROBENZOYL)",000094-17-7,7179,(4-chlorobenzoyl) 4-chlorobenzenecarboperoxoate,C1=CC(=CC=C1C(=O)OOC(=O)C2=CC=C(C=C2)Cl)Cl,InChI=1S/C14H8Cl2O4/c15-11-5-1-9(2-6-11)13(17)19-20-14(18)10-3-7-12(16)8-4-10/h1-8H,OXYKVVLTXXXVRT-UHFFFAOYSA-N,C14H8Cl2O4,311.1,309.9799641,4.8,52.6,311,0,0,4,5,20,,,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,1,1,0,0,1
"PEROXIDE, BIS(2,4-DICHLOROBENZOYL)",000133-14-2,61078,"(2,4-dichlorobenzoyl) 2,4-dichlorobenzenecarboperoxoate",C1=CC(=C(C=C1Cl)Cl)C(=O)OOC(=O)C2=C(C=C(C=C2)Cl)Cl,InChI=1S/C14H6Cl4O4/c15-7-1-3-9(11(17)5-7)13(19)21-22-14(20)10-4-2-8(16)6-12(10)18/h1-6H,WRXCBRHBHGNNQA-UHFFFAOYSA-N,C14H6Cl4O4,380,379.899069,6,52.6,382,0,0,4,5,22,,,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,1,0,1,0,0
"1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-beta,delta-dihydroxy-2,6-dimethyl-, monosodium salt, (beta-R,delta-R,1S,2S,6R,8S,8aR)-",101314-97-0,16760655,"sodium (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate",CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)C.[Na+],"InChI=1S/C25H40O6.Na/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29;/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29);/q;+1/p-1/t15-,16-,18+,19+,20-,21-,23-;/m0./s1",RLWRROYWKHUVKF-OKDJMAGBSA-M,C25H39NaO6,458.6,458.2644332,,107,701,0,2,6,11,32,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PRAVASTATIN SODIUM,081131-70-6,16759173,"sodium (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate",CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)O.[Na+],"InChI=1S/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13-,14-,16+,17+,18+,19-,20-,22-;/m0./s1",VWBQYTRBTXKKOG-IYNICTALSA-M,C23H35NaO7,446.5,446.2280477,,127,662,0,3,7,11,31,,,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,1,0,1,0
"N-(4-(((2-AMINO-1,4,5,6,7,8-HEXAHYDRO-4-OXO-6-PTERIDINYL)METHYL)AMINO)BENZOYL)-L-GLUTAMIC ACID",000135-16-0,135444742,"(2S)-2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid",C1C(NC2=C(N1)N=C(NC2=O)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,"InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11?,12-/m0/s1",MSTNYGQPCMXVAQ-KIYNQFGBSA-N,C19H23N7O6,445.4,445.1709815,-0.6,207,834,0,8,10,9,32,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
CALCIUM FOLINATE,001492-18-8,135430945,,C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O.[Ca],"InChI=1S/C20H23N7O7.Ca/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);/t12?,13-;/m0./s1",BZPWXVJDMRBCMD-ZEDZUCNESA-N,C20H23CaN7O7,513.5,513.1284869,,216,911,0,7,10,9,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
FOLINIC ACID CALCIUM SALT HYDRATE,,135403647,"calcium (2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate",C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Ca+2],"InChI=1S/C20H23N7O7.Ca/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);/q;+2/p-2/t12?,13-;/m0./s1",KVUAALJSMIVURS-ZEDZUCNESA-L,C20H21CaN7O7,511.5,511.1128369,,221,900,0,5,10,7,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
ANTIMYCIN A,001397-94-0,14957,"[(2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate",CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C,"InChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)/t17-,18+,20-,23+,25+/m1/s1",UIFFUZWRFRDZJC-SBOOETFBSA-N,C28H40N2O9,548.6,548.2733809,5.3,157,849,0,3,9,12,39,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butyric acid, N-ester with N-(7-butyl-8-hydroxy-4,9-dimethyl-2,6-dioxo-1,6-dioxonan-3-yl)-3-formamidosalicylamide",27220-59-3,3084472,"[8-butyl-3-[(3-formamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] butanoate",CCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CCC,"InChI=1S/C25H34N2O9/c1-5-7-10-17-22(36-19(29)9-6-2)15(4)35-25(33)20(14(3)34-24(17)32)27-23(31)16-11-8-12-18(21(16)30)26-13-28/h8,11-15,17,20,22,30H,5-7,9-10H2,1-4H3,(H,26,28)(H,27,31)",GYANSQKXOLFAFP-UHFFFAOYSA-N,C25H34N2O9,506.5,506.2264307,3.8,157,789,0,3,9,10,36,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ANTIMYCIN A1,000642-15-9,12550,"[3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate",CCCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C,"InChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)",UIFFUZWRFRDZJC-UHFFFAOYSA-N,C28H40N2O9,548.6,548.2733809,5.3,157,849,0,3,9,12,39,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ATROPINE,000051-55-8,174174,"[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate",CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16?",RKUNBYITZUJHSG-PJPHBNEVSA-N,C17H23NO3,289.4,289.1677936,1.8,49.8,353,0,1,4,5,21,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, 8-METHYL-8-AZABICYCLO[3.2.1]OCT-",000101-31-5,154417,"[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate",CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)C3=CC=CC=C3,"InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1",RKUNBYITZUJHSG-VFSICIBPSA-N,C17H23NO3,289.4,289.1677936,1.8,49.8,353,0,1,4,5,21,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(S)-3-HYDROXY-2-PHENYL-PROPIONIC ACID (1R,3S,5R,6S)-6-HYDROXY-8-METHYL-8-AZA-BICYCLO[3.2.1]OCT-3-YL ESTER",085760-60-7,6918612,"[(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate",CN1[C@H]2C[C@@H](C[C@@H]1[C@H](C2)O)OC(=O)[C@H](CO)C3=CC=CC=C3,"InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12-,13-,14+,15+,16-/m0/s1",WTQYWNWRJNXDEG-RBZJEDDUSA-N,C17H23NO4,305.4,305.1627082,0.9,70,396,0,2,5,5,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Berbaman-7-ol, 2,2'-dimethyl-6,6',12-trimethoxy-, (1-beta)-",436-77-1,73481,"(1S,14S)-9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-21-ol",CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)O)OC)OC,"InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)41-3)17-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-/m0/s1",IIQSJHUEZBTSAT-VMPREFPWSA-N,C37H40N2O6,608.7,608.288637,6.1,72.9,963,0,1,8,3,45,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido(2',3':17,18)(1,11)dioxacycloeicosino(2,3,4-ij)isoquinolin-12-ol, 3,4,4a,5,16a,17,18,19-octahydro-21,22,26-trimethoxy-4,17-dimethyl-, hydrochloride (1:2), (4aS,16aR)-",,16217067,"(1S,14R)-20,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-9-ol;dihydrochloride",CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC.Cl.Cl,"InChI=1S/C37H40N2O6.2ClH/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33;;/h6-11,18-21,28-29,40H,12-17H2,1-5H3;2*1H/t28-,29+;;/m0../s1",USRXDYNDPPUBSG-KKXMJGKMSA-N,C37H42Cl2N2O6,681.6,680.2419925,,72.9,963,0,3,8,3,47,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(S,S)-(+)-TETRANDRINE",000518-34-3,73078,"(1S,14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene",CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC,"InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1",WVTKBKWTSCPRNU-KYJUHHDHSA-N,C38H42N2O6,622.7,622.3042871,6.4,61.9,979,0,0,8,4,46,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2(3H)-FURANONE, 3-ETHYLDIHYDRO-4-[(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-, MONOHYD",000054-71-7,5909,"(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one;hydrochloride",CC[C@H]1[C@H](COC1=O)CC2=CN=CN2C.Cl,"InChI=1S/C11H16N2O2.ClH/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;/h5,7-8,10H,3-4,6H2,1-2H3;1H/t8-,10-;/m0./s1",RNAICSBVACLLGM-GNAZCLTHSA-N,C11H17ClN2O2,244.72,244.0978555,,44.1,245,0,1,3,3,16,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2(3H)-FURANONE, 3-ETHYLDIHYDRO-4-[(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-, (3S-CIS",000148-72-1,657349,"(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one;nitric acid",CC[C@H]1[C@H](COC1=O)CC2=CN=CN2C.[N+](=O)(O)[O-],"InChI=1S/C11H16N2O2.HNO3/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;2-1(3)4/h5,7-8,10H,3-4,6H2,1-2H3;(H,2,3,4)/t8-,10-;/m0./s1",PRZXEPJJHQYOGF-GNAZCLTHSA-N,C11H17N3O5,271.27,271.1168207,,110,269,0,1,6,3,19,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CANTHARIDIN,000056-25-7,5944,"(1S,2R,6S,7R)-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione",C[C@@]12[C@H]3CC[C@@H]([C@@]1(C(=O)OC2=O)C)O3,"InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-",DHZBEENLJMYSHQ-XCVPVQRUSA-N,C10H12O4,196.2,196.0735589,0.6,52.6,318,0,0,4,0,14,,"Sublimes at 230 °F (EPA, 1998)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,7-EPOXYISOBENZOFURAN-1,3-DIONE, HEXAHYDRO-",005442-12-6,93004,"4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione",C1CC2C3C(C1O2)C(=O)OC3=O,"InChI=1S/C8H8O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h3-6H,1-2H2",JAABVEXCGCXWRR-UHFFFAOYSA-N,C8H8O4,168.15,168.0422587,-0.1,52.6,246,0,0,4,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic anhydride, exo-",29745-04-8,9877482,"(1S,2R,6S,7R)-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione",C1C[C@H]2[C@H]3[C@@H]([C@@H]1O2)C(=O)OC3=O,"InChI=1S/C8H8O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h3-6H,1-2H2/t3-,4+,5-,6+",JAABVEXCGCXWRR-FBXFSONDSA-N,C8H8O4,168.15,168.0422587,-0.1,52.6,246,0,0,4,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-Alanine,000303-47-9,442530,"(2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid",C[C@@H]1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)Cl,"InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1",RWQKHEORZBHNRI-BMIGLBTASA-N,C20H18ClNO6,403.8,403.082265,4.7,113,608,0,3,6,5,28,,,0,0,1,1,0,1,1,1,0,0,0,0,0,1,0,0,0,0,0,0
"Alanine, N-((8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-, (-)-",4825-86-9,20966,"(2S)-2-[[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid",C[C@@H]1CC2=C(C(=C(C=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)O)C(=O)O1,"InChI=1S/C20H19NO6/c1-11-9-13-7-8-14(17(22)16(13)20(26)27-11)18(23)21-15(19(24)25)10-12-5-3-2-4-6-12/h2-8,11,15,22H,9-10H2,1H3,(H,21,23)(H,24,25)/t11-,15+/m1/s1",DAEYIVCTQUFNTM-ABAIWWIYSA-N,C20H19NO6,369.4,369.1212373,4.1,113,573,0,3,6,5,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-Phenylalanine, N-(((3R)-5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-, ethyl ester",4865-85-4,20997,"ethyl (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoate",CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC(=C3C[C@H](OC(=O)C3=C2O)C)Cl,"InChI=1S/C22H22ClNO6/c1-3-29-21(27)17(10-13-7-5-4-6-8-13)24-20(26)15-11-16(23)14-9-12(2)30-22(28)18(14)19(15)25/h4-8,11-12,17,25H,3,9-10H2,1-2H3,(H,24,26)/t12-,17+/m1/s1",BPZZWRPHVVDAPT-PXAZEXFGSA-N,C22H22ClNO6,431.9,431.1135651,5.4,102,637,0,2,6,7,30,,,0,1,1,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
AMINOREX (HAS BEEN SOLD AS METHAMPHETAMINE),002207-50-3,16630,"5-phenyl-4,5-dihydro-1,3-oxazol-2-amine",C1C(OC(=N1)N)C2=CC=CC=C2,"InChI=1S/C9H10N2O/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11)",SYAKTDIEAPMBAL-UHFFFAOYSA-N,C9H10N2O,162.19,162.0793129,0.8,47.6,185,0,1,2,1,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"CIS-4,4'-DIMETHYLAMINOREX",1632031-39-0,119058040,"(4S,5R)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine",C[C@H]1[C@H](OC(=N1)N)C2=CC=C(C=C2)C,"InChI=1S/C11H14N2O/c1-7-3-5-9(6-4-7)10-8(2)13-11(12)14-10/h3-6,8,10H,1-2H3,(H2,12,13)/t8-,10-/m0/s1",NPILLHMQNMXXTL-WPRPVWTQSA-N,C11H14N2O,190.24,190.1106131,1.5,47.6,231,0,1,2,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PHOSACETIM,004104-14-7,20056,N'-bis(4-chlorophenoxy)phosphinothioylethanimidamide,CC(=NP(=S)(OC1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)Cl)N,"InChI=1S/C14H13Cl2N2O2PS/c1-10(17)18-21(22,19-13-6-2-11(15)3-7-13)20-14-8-4-12(16)5-9-14/h2-9H,1H3,(H2,17,18,22)",XIBXUAZIZXDFTG-UHFFFAOYSA-N,C14H13Cl2N2O2PS,375.2,373.9812412,5.5,88.9,409,0,1,4,5,22,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHORODITHIOIC ACID, O,O-BIS(METHYLPHENYL) ESTER, AMMONIUM SALT",058373-83-4,162856,azanium bis(2-methylphenoxy)-sulfanylidene-sulfido-lambda5-phosphane,CC1=CC=CC=C1OP(=S)(OC2=CC=CC=C2C)[S-].[NH4+],"InChI=1S/C14H15O2PS2.H3N/c1-11-7-3-5-9-13(11)15-17(18,19)16-14-10-6-4-8-12(14)2;/h3-10H,1-2H3,(H,18,19);1H3",JEQFERRNWXYBQE-UHFFFAOYSA-N,C14H18NO2PS2,327.4,327.0516582,,52.6,301,0,1,4,4,20,,,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORODITHIOIC ACID, O,O-BIS(METHYLPHENYL) ESTER, SODIUM SALT",061792-48-1,23689135,sodium bis(2-methylphenoxy)-sulfanylidene-sulfido-lambda5-phosphane,CC1=CC=CC=C1OP(=S)(OC2=CC=CC=C2C)[S-].[Na+],"InChI=1S/C14H15O2PS2.Na/c1-11-7-3-5-9-13(11)15-17(18,19)16-14-10-6-4-8-12(14)2;/h3-10H,1-2H3,(H,18,19);/q;+1/p-1",UVBFFTCXSYRBPU-UHFFFAOYSA-M,C14H14NaO2PS2,332.4,332.0070533,,51.6,315,0,0,4,4,20,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"3H-INDOLIUM, 2-[3-(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)-1-PROPENYL]",065122-08-9,94613,"1,3,3-trimethyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole acetate",CC(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1C=CC=C3C(C4=CC=CC=C4N3C)(C)C)C)C,"InChI=1S/C25H29N2.C2H4O2/c1-24(2)18-12-7-9-14-20(18)26(5)22(24)16-11-17-23-25(3,4)19-13-8-10-15-21(19)27(23)6;1-2(3)4/h7-17H,1-6H3;1H3,(H,3,4)/q+1;/p-1",URHPWVXDUPYQLQ-UHFFFAOYSA-M,C27H32N2O2,416.6,416.2463783,,46.4,648,0,0,3,2,31,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"3H-INDOLIUM, 2-[3-(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)-1-PROPENYL]",006320-14-5,6540442,"(2Z)-1,3,3-trimethyl-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole chloride",CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C\3/C(C4=CC=CC=C4N3C)(C)C)C)C.[Cl-],"InChI=1S/C25H29N2.ClH/c1-24(2)18-12-7-9-14-20(18)26(5)22(24)16-11-17-23-25(3,4)19-13-8-10-15-21(19)27(23)6;/h7-17H,1-6H3;1H/q+1;/p-1",QCGOYKXFFGQDFY-UHFFFAOYSA-M,C25H29ClN2,393,392.2019266,,6.3,623,0,0,2,2,28,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
SAXITOXIN,035523-89-8,56947150,"[(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate",C1CN2C(=N[C@H]([C@H]3[C@]2(C1(O)O)NC(=N3)N)COC(=O)N)N,"InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1",RPQXVSUAYFXFJA-HGRQIUPRSA-N,C10H17N7O4,299.29,299.1342021,-4.6,185,548,0,6,6,3,21,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H,10H-Pyrrolo(1,2-C)purine-10,10-diol, 3a,4,8,9-tetrahydro-2,6-diamino-4-(((aminocarbonyl)oxy)methyl)-, dihydrochloride, (3aS-(3a-alpha,4-alpha,10aR*))-",35554-08-6,132988485,"[(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate;dihydrochloride",C1CN2C(=N[C@H]([C@H]3[C@]2(C1(O)O)NC(=N3)N)COC(=O)N)N.Cl.Cl,"InChI=1S/C10H17N7O4.2ClH/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6;;/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16);2*1H/t4-,5-,10-;;/m0../s1",YHAHUGQQOBPXOZ-UIPPETONSA-N,C10H19Cl2N7O4,372.21,371.0875575,,185,548,0,8,6,3,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Gonyautoxin,77462-64-7,49789086,"[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulfamic acid",C1[C@@H](C([C@@]23N1C(=N[C@H]([C@@H]2N=C(N3)N)COC(=O)NS(=O)(=O)O)N)(O)O)OS(=O)(=O)O,"InChI=1S/C10H17N7O11S2/c11-6-14-5-3(2-27-8(18)16-29(21,22)23)13-7(12)17-1-4(28-30(24,25)26)10(19,20)9(5,17)15-6/h3-5,19-20H,1-2H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)(H,24,25,26)/t3-,4-,5-,9-/m0/s1",OKSSKVHGKYJNLL-LJRZAWCWSA-N,C10H17N7O11S2,475.4,475.0427467,-6.5,306,1010,0,8,13,6,30,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CEFTAZIDIME HYDRATE,120618-65-7,44421145,"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrate",CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-].O,"InChI=1S/C22H22N6O7S2.H2O/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27;/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34);1H2/b26-13-;/t14-,18-;/m1./s1",GCZOCVAKBHTGOL-ROMZVAKDSA-N,C22H24N6O8S2,564.6,564.1097041,,246,1020,0,4,13,8,38,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Pyridinium, 1-((7-(((2-amino-4-thiazolyl)((1-carboxy-1-methylethoxy)imino)acet",078439-06-2,6536864,"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;pentahydrate",CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-].O.O.O.O.O,"InChI=1S/C22H22N6O7S2.5H2O/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27;;;;;/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34);5*1H2/b26-13-;;;;;/t14-,18-;;;;;/m1...../s1",NMVPEQXCMGEDNH-TZVUEUGBSA-N,C22H32N6O12S2,636.7,636.1519628,,250,1020,0,8,17,8,42,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
CEFTAZIDIME ANHYDROUS,072558-82-8,5481173,"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-],"InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,18-/m1/s1",ORFOPKXBNMVMKC-DWVKKRMSSA-N,C22H22N6O7S2,546.6,546.0991394,0.4,245,1020,0,3,12,8,37,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"(1R,2R,4S)-2-(6-CHLORO-3-PYRIDINYL)-7-AZABICYCLO(2.2.1)HEPTANE",140111-52-0,854023,"(1R,2R,4S)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane",C1C[C@@H]2[C@H](C[C@H]1N2)C3=CN=C(C=C3)Cl,"InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1",NLPRAJRHRHZCQQ-IVZWLZJFSA-N,C11H13ClN2,208.69,208.0767261,2.2,24.9,221,0,1,2,1,14,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"7-Azabicyclo(2.2.1)heptane, 2-(6-chloro-3-pyridinyl)-, dihydrochloride, exo-(+-)-",162885-01-0,87802432,"(1S,2S,4R)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;dihydrochloride",C1C[C@H]2[C@@H](C[C@@H]1N2)C3=CN=C(C=C3)Cl.Cl.Cl,"InChI=1S/C11H13ClN2.2ClH/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8;;/h1,4,6,8-10,14H,2-3,5H2;2*1H/t8-,9+,10+;;/m1../s1",DGNNWUINALNROG-YDMPKLSESA-N,C11H15Cl3N2,281.6,280.030082,,24.9,221,0,3,2,1,16,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"7-Azabicyclo(2.2.1)heptane, 2-(6-chloro-3-pyridinyl)-, (1S-exo)-",152378-30-8,3073763,"(1S,2S,4R)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane",C1C[C@H]2[C@@H](C[C@@H]1N2)C3=CN=C(C=C3)Cl,"InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m1/s1",NLPRAJRHRHZCQQ-UTLUCORTSA-N,C11H13ClN2,208.69,208.0767261,2.2,24.9,221,0,1,2,1,14,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
AFLATOXIN B2,007220-81-7,2724360,"(3S,7R)-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione",COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1,"InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1",WWSYXEZEXMQWHT-WNWIJWBNSA-N,C17H14O6,314.29,314.0790382,1.3,71.1,610,0,0,6,1,23,,,0,1,1,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,8,9,9a-hexahydro-8-hydroxy-4-methoxy-, (6aS-(6a-alpha,8-beta,9a-alpha))-",17878-54-5,104825,"(3S,5R,7S)-5-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione",COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5C[C@@H](O[C@@H]5OC4=C1)O,"InChI=1S/C17H14O7/c1-21-9-5-10-14(7-4-11(19)23-17(7)22-10)15-13(9)6-2-3-8(18)12(6)16(20)24-15/h5,7,11,17,19H,2-4H2,1H3/t7-,11+,17-/m0/s1",PFQSKXVNBUHPIW-AUWAXLAASA-N,C17H14O7,330.29,330.0739528,0.8,91.3,641,0,1,7,1,24,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,8,9,9a-hexahydro-9a-hydroxy-4-methoxy-",6885-57-0,10903619,"(3R,7R)-3-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione",COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)O[C@@H]5[C@]4(CCO5)O,"InChI=1S/C17H14O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h6,16,20H,2-5H2,1H3/t16-,17-/m1/s1",OQLKWHFMUPJCJY-IAGOWNOFSA-N,C17H14O7,330.29,330.0739528,0.2,91.3,655,0,1,7,1,24,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Senecionan-11,16-dione, 12-hydroxy-, 4-oxide",013268-67-2,5380876,"(1R,4Z,6R,7R,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione",C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(C)O)C,"InChI=1S/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-,19?/m1/s1",PLGBHVNNYDZWGZ-GPUZEBNTSA-N,C18H25NO6,351.4,351.1681875,0.5,90.9,656,0,1,6,0,25,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"Retrorsine, N-oxide",15503-86-3,5281734,"(1R,4Z,6R,7S,17R)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione",C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(CO)O)C,"InChI=1S/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-,19?/m1/s1",IDIMIWQPUHURPV-WTWIWYCDSA-N,C18H25NO7,367.4,367.1631021,0,111,672,0,2,7,1,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"(1,6)Dioxacyclododecino(2,3,4-gh)pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-5,6-dimethyl-, 12-oxide, (3E,5R,6R,14aR,14bR)-",85955-28-8,6437374,"(1R,4E,6R,7R,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione",C/C=C/1\C[C@H]([C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(C)O)C,"InChI=1S/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4+/t11-,14-,15-,18-,19?/m1/s1",PLGBHVNNYDZWGZ-NRTYDQPPSA-N,C18H25NO6,351.4,351.1681875,0.5,90.9,656,0,1,6,0,25,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,4-DICHLORO-N-[2-(DIMETHYLAMINO)CYCLOHEXYL]-N-METHYLBENZAMIDE",082657-23-6,71719125,"3,4-dichloro-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-methylbenzamide",CN(C)[C@H]1CCCC[C@@H]1N(C)C(=O)C2=CC(=C(C=C2)Cl)Cl,"InChI=1S/C16H22Cl2N2O/c1-19(2)14-6-4-5-7-15(14)20(3)16(21)11-8-9-12(17)13(18)10-11/h8-10,14-15H,4-7H2,1-3H3/t14-,15-/m0/s1",JGPNMZWFVRQNGU-GJZGRUSLSA-N,C16H22Cl2N2O,329.3,328.1109187,4,23.6,364,0,0,2,3,21,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, N-cyclohexyl-",1759-68-8,15657,N-cyclohexylbenzamide,C1CCC(CC1)NC(=O)C2=CC=CC=C2,"InChI=1S/C13H17NO/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,14,15)",KQJYDHWNYPRIRY-UHFFFAOYSA-N,C13H17NO,203.28,203.1310142,2.9,29.1,203,0,1,1,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Salicylamide, N-cyclohexyl-",63762-70-9,114223,N-cyclohexyl-2-hydroxybenzamide,C1CCC(CC1)NC(=O)C2=CC=CC=C2O,"InChI=1S/C13H17NO2/c15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10/h4-5,8-10,15H,1-3,6-7H2,(H,14,16)",HYLCRKVCRPLFRE-UHFFFAOYSA-N,C13H17NO2,219.28,219.1259288,3.2,49.3,236,0,2,2,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzeneacetic acid, alpha-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(sup 2,4))non-7-yl ester, hydrochloride, (7(S)-(1-alpha,2-beta,4-beta,5-alpha,7-beta))-",55-16-3,6852406,"[(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;hydrochloride",CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4.Cl,"InChI=1S/C17H21NO4.ClH/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H/t11?,12-,13-,14+,15-,16+;/m1./s1",KXPXJGYSEPEXMF-WYHSTMEOSA-N,C17H22ClNO4,339.8,339.1237359,,62.3,418,0,2,5,5,23,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 6-beta,7-beta-epoxy-, (-)-tropate (ester),hydrobromide, trihydrate",6533-68-2,20055509,"[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;trihydrate;hydrobromide",CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4.O.O.O.Br,"InChI=1S/C17H21NO4.BrH.3H2O/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;;;;/h2-6,11-16,19H,7-9H2,1H3;1H;3*1H2/t11?,12-,13-,14+,15-,16+;;;;/m1..../s1",LACQPOBCQQPVIT-CQPQIMGBSA-N,C17H28BrNO7,438.3,437.10491,,65.3,418,0,5,8,5,26,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-bromo-2-(4-chlorophenyl)-5-1H-Pyrrole-3-carbonitrile,122454-29-9,183559,4-bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile,C1=CC(=CC=C1C2=C(C(=C(N2)C(F)(F)F)Br)C#N)Cl,"InChI=1S/C12H5BrClF3N2/c13-9-8(5-18)10(19-11(9)12(15,16)17)6-1-3-7(14)4-2-6/h1-4,19H",XNFIRYXKTXAHAC-UHFFFAOYSA-N,C12H5BrClF3N2,349.53,347.92767,4.3,39.6,373,0,1,4,1,19,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
CHLORFENAPYR,122453-73-0,91778,4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile,CCOCN1C(=C(C(=C1C(F)(F)F)Br)C#N)C2=CC=C(C=C2)Cl,"InChI=1S/C15H11BrClF3N2O/c1-2-23-8-22-13(9-3-5-10(17)6-4-9)11(7-21)12(16)14(22)15(18,19)20/h3-6H,2,8H2,1H3",CWFOCCVIPCEQCK-UHFFFAOYSA-N,C15H11BrClF3N2O,407.61,405.96954,4.5,38,448,0,0,5,4,23,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrrole, 2-phenyl-",3042-22-6,72898,2-phenyl-1H-pyrrole,C1=CC=C(C=C1)C2=CC=CN2,"InChI=1S/C10H9N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-8,11H",IRTLROCMFSDSNF-UHFFFAOYSA-N,C10H9N,143.18,143.0734993,1.6,15.8,116,0,1,0,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Purine-6-thiol,000050-44-2,667490,"3,7-dihydropurine-6-thione",C1=NC2=C(N1)C(=S)N=CN2,"InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)",GLVAUDGFNGKCSF-UHFFFAOYSA-N,C5H4N4S,152.18,152.0156673,0,85.2,190,0,2,2,0,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
6-MERCAPTOPURINE MONOHYDRATE,006112-76-1,2724350,"3,7-dihydropurine-6-thione;hydrate",C1=NC2=C(N1)C(=S)N=CN2.O,"InChI=1S/C5H4N4S.H2O/c10-5-3-4(7-1-6-3)8-2-9-5;/h1-2H,(H2,6,7,8,9,10);1H2",WFFQYWAAEWLHJC-UHFFFAOYSA-N,C5H6N4OS,170.2,170.026232,,86.2,190,0,3,3,0,11,,,0,0,0,1,0,0,0,1,0,0,1,0,0,1,0,0,1,0,0,1
THIOGUANINE,000154-42-7,2723601,"2-amino-3,7-dihydropurine-6-thione",C1=NC2=C(N1)C(=S)N=C(N2)N,"InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",WYWHKKSPHMUBEB-UHFFFAOYSA-N,C5H5N5S,167.19,167.0265664,-0.1,111,225,0,3,2,0,11,,,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
NIGERICIN SODIUM FROM STREPTOMYCES HYGROSCOPICUS,028380-24-7,34230,"(2R)-2-[(2R,3S,6R)-6-[[(2S,4R,5R,6R,7R,9R)-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-3-methyloxan-2-yl]propanoic acid",C[C@H]1CC[C@@H](O[C@H]1[C@@H](C)C(=O)O)C[C@@H]2C[C@H]([C@H]([C@@]3(O2)[C@@H](C[C@@](O3)(C)[C@H]4CC[C@@](O4)(C)[C@H]5[C@H](C[C@@H](O5)[C@@H]6[C@H](C[C@H]([C@@](O6)(CO)O)C)C)C)C)C)OC,"InChI=1S/C40H68O11/c1-21-11-12-28(46-33(21)26(6)36(42)43)17-29-18-30(45-10)27(7)40(48-29)25(5)19-38(9,51-40)32-13-14-37(8,49-32)35-23(3)16-31(47-35)34-22(2)15-24(4)39(44,20-41)50-34/h21-35,41,44H,11-20H2,1-10H3,(H,42,43)/t21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35+,37-,38-,39-,40+/m0/s1",DANUORFCFTYTSZ-SJSJOXFOSA-N,C40H68O11,725,724.476163,5.5,142,1230,0,3,11,9,51,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Nigericin, monosodium salt",028643-80-3,16760591,"sodium (2R)-2-[(2R,3S,6R)-6-[[(2S,4R,5R,6R,7R,9R)-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-3-methyloxan-2-yl]propanoate",C[C@H]1CC[C@@H](O[C@H]1[C@@H](C)C(=O)[O-])C[C@@H]2C[C@H]([C@H]([C@@]3(O2)[C@@H](C[C@@](O3)(C)[C@H]4CC[C@@](O4)(C)[C@H]5[C@H](C[C@@H](O5)[C@@H]6[C@H](C[C@H]([C@@](O6)(CO)O)C)C)C)C)C)OC.[Na+],"InChI=1S/C40H68O11.Na/c1-21-11-12-28(46-33(21)26(6)36(42)43)17-29-18-30(45-10)27(7)40(48-29)25(5)19-38(9,51-40)32-13-14-37(8,49-32)35-23(3)16-31(47-35)34-22(2)15-24(4)39(44,20-41)50-34;/h21-35,41,44H,11-20H2,1-10H3,(H,42,43);/q;+1/p-1/t21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35+,37-,38-,39-,40+;/m0./s1",MOYOTUKECQMGHE-PDEFJWSRSA-M,C40H67NaO11,746.9,746.4581072,,145,1240,0,2,11,9,52,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Lonomycin, monosodium salt",58845-80-0,45052213,"sodium (2S)-2-[(2R,3R,4S,5R,6S)-2-hydroxy-6-[(1S)-1-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-[(2R,3S,4R,5R)-5-[(2S,3S,4S,5R,6S)-6-hydroxy-4-methoxy-3,5,6-trimethyloxan-2-yl]-4-methoxy-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-4-methoxy-3,5-dimethyloxan-2-yl]propanoate",C[C@@H]1[C@H](C[C@]2(CC[C@@](O2)(C)[C@H]3CC[C@@](O3)(C)[C@H]4[C@H]([C@H]([C@@H](O4)[C@@H]5[C@H]([C@@H]([C@H]([C@@](O5)(C)O)C)OC)C)OC)C)O[C@@H]1[C@@H](C)[C@@H]6[C@@H]([C@@H]([C@H]([C@@](O6)([C@H](C)C(=O)[O-])O)C)OC)C)OC.[Na+],"InChI=1S/C44H76O14.Na/c1-21-29(49-12)20-43(56-31(21)22(2)32-23(3)34(51-14)27(7)44(48,57-32)28(8)39(45)46)19-18-40(9,58-43)30-16-17-41(10,54-30)38-25(5)35(52-15)37(53-38)36-24(4)33(50-13)26(6)42(11,47)55-36;/h21-38,47-48H,16-20H2,1-15H3,(H,45,46);/q;+1/p-1/t21-,22-,23+,24+,25+,26-,27-,28-,29+,30-,31+,32-,33+,34+,35-,36+,37-,38-,40+,41+,42+,43-,44-;/m1./s1",PIKGYGHAIOUQMF-SZCYNZSUSA-M,C44H75NaO14,851,850.5054513,,173,1460,0,2,14,11,59,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hydantoin, 3-phenyl-2-thio-",2010-15-3,700731,3-phenyl-2-sulfanylideneimidazolidin-4-one,C1C(=O)N(C(=S)N1)C2=CC=CC=C2,"InChI=1S/C9H8N2OS/c12-8-6-10-9(13)11(8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)",ZZRIQDWDJVLELF-UHFFFAOYSA-N,C9H8N2OS,192.24,192.0357341,1.4,64.4,236,0,1,2,1,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PTH-METHIONINE,004370-90-5,2872023,5-(2-methylsulfanylethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one,CSCCC1C(=O)N(C(=S)N1)C2=CC=CC=C2,"InChI=1S/C12H14N2OS2/c1-17-8-7-10-11(15)14(12(16)13-10)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,16)",KALSXWPXUWRLOH-UHFFFAOYSA-N,C12H14N2OS2,266.4,266.0547554,2.3,89.7,303,0,1,3,4,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
OKADAIC ACID,078111-17-8,446512,"(2R)-3-[(2S,6R,8S,11R)-2-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoic acid",C[C@@H]1CC[C@]2(CCCCO2)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O,"InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39-,41-,42+,43-,44-/m1/s1",QNDVLZJODHBUFM-WFXQOWMNSA-N,C44H68O13,805,804.4659922,3.4,183,1520,0,5,13,10,57,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Acanthifolicin, 9,10-deepithio-9,10-didehydro-35-methyl-",81720-10-7,20055920,"(2R)-3-[(2S,6R,8S,11R)-2-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-2-[(1S,3S)-3-[(2S,3R,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-1-hydroxybutyl]-4-hydroxy-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoic acid",C[C@@H]1CC[C@]2([C@@H](CCCO2)C)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O,"InChI=1S/C45H70O13/c1-25-21-35(56-45(23-25)36(47)13-12-32(55-45)24-42(7,51)41(49)50)26(2)10-11-31-15-17-43(54-31)18-16-34-40(57-43)37(48)30(6)39(53-34)33(46)22-28(4)38-27(3)14-19-44(58-38)29(5)9-8-20-52-44/h10-11,23,26-29,31-40,46-48,51H,6,8-9,12-22,24H2,1-5,7H3,(H,49,50)/b11-10+/t26-,27-,28+,29-,31+,32+,33+,34-,35+,36-,37-,38+,39+,40-,42-,43-,44-,45-/m1/s1",CLBIEZBAENPDFY-HNXGFDTJSA-N,C45H70O13,819,818.4816423,3.8,183,1550,0,5,13,10,58,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,7-Dioxaspiro(5.5)undec-10-ene-2-propanoic acid, alpha,5-dihydroxy-alpha,10-dimethyl-8-((1R,2E)-1-methyl-3-((2R,4'aR,5R,6'S,8'R,8'aS)-octahydro-8'-hydroxy-6'-((1S,3S)-1-hydroxy-3-((2S,6S,11R)-11-methyl-1,7-dioxaspiro(5.5)undec-2-yl)butyl)-7'-methylenespiro(furan-2(3H),2'(3'H)-pyrano(3,2-b)pyran)-5-yl)-2-propenyl)-, (alpha-R,2R,5R,6S,8S)-",139933-46-3,91800179,"(2R)-3-[(2S,6R,8S,11R)-2-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(2S,6R,11R)-11-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoic acid",C[C@@H]1CCCO[C@@]12CCC[C@H](O2)[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O,"InChI=1S/C44H68O13/c1-25-21-35(56-44(23-25)36(46)14-13-31(54-44)24-41(6,50)40(48)49)26(2)11-12-30-15-18-42(53-30)19-16-34-39(57-42)37(47)29(5)38(52-34)32(45)22-27(3)33-10-7-17-43(55-33)28(4)9-8-20-51-43/h11-12,23,26-28,30-39,45-47,50H,5,7-10,13-22,24H2,1-4,6H3,(H,48,49)/b12-11+/t26-,27+,28-,30+,31+,32+,33+,34-,35+,36-,37-,38+,39-,41-,42-,43-,44-/m1/s1",BRFKTXCAUCYQBT-KIXJXINUSA-N,C44H68O13,805,804.4659922,3.4,183,1520,0,5,13,10,57,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-DIPYRIDYL DIHYDROCHLORIDE",027926-72-3,119752,4-pyridin-4-ylpyridine;dihydrochloride,C1=CN=CC=C1C2=CC=NC=C2.Cl.Cl,InChI=1S/C10H8N2.2ClH/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;;/h1-8H;2*1H,UAGAQPUIDMGOLD-UHFFFAOYSA-N,C10H10Cl2N2,229.1,228.0221037,,25.8,108,0,2,2,1,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-DIPYRIDYL HYDRATE",123333-55-1,16211397,4-pyridin-4-ylpyridine;hydrate,C1=CN=CC=C1C2=CC=NC=C2.O,InChI=1S/C10H8N2.H2O/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;/h1-8H;1H2,JJRKHJXMBCYHSH-UHFFFAOYSA-N,C10H10N2O,174.2,174.0793129,,26.8,108,0,1,3,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BUPRENORPHINE HYDROCHLORIDE,053152-21-9,3033050,"(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol;hydrochloride",C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O.Cl,"InChI=1S/C29H41NO4.ClH/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28;/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3;1H/t20-,21-,24-,26+,27-,28+,29-;/m1./s1",UAIXRPCCYXNJMQ-RZIPZOSSSA-N,C29H42ClNO4,504.1,503.2802365,,62.2,869,0,3,5,5,35,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,1,0,0,1,0,1
"BUPRENORPHINE (BUPRENEX, TEMEGESIC, SUBUTEX, SUBOXONE)",052485-79-7,644073,"(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol",C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O,"InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1",RMRJXGBAOAMLHD-IHFGGWKQSA-N,C29H41NO4,467.6,467.3035588,5,62.2,869,0,2,5,5,34,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
DIPRENORPHINE (M50-50),014357-78-9,443408,"(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-(2-hydroxypropan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol",CC(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O,"InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1",OIJXLIIMXHRJJH-KNLIIKEYSA-N,C26H35NO4,425.6,425.2566086,3.6,62.2,783,0,2,5,4,31,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isonipecotic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester, hydrochloride",3810-80-8,6432394,"ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate;hydrochloride",CCOC(=O)C1(CCN(CC1)CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl,"InChI=1S/C30H32N2O2.ClH/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27;/h3-17H,2,18-23H2,1H3;1H",SHTAFWKOISOCBI-UHFFFAOYSA-N,C30H33ClN2O2,489,488.223056,,53.3,666,0,1,4,9,35,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"1-Piperidinebutanamide, 4-(4-chlorophenyl)-4-hydroxy-N,N-dimethyl-alpha,alpha-diphenyl-",53179-11-6,3955,"4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide",CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3",RDOIQAHITMMDAJ-UHFFFAOYSA-N,C29H33ClN2O2,477,476.223056,5,43.8,623,0,1,3,7,34,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
LOPERAMIDE HYDROCHLORIDE,034552-83-5,71420,"4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;hydrochloride",CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4.Cl,"InChI=1S/C29H33ClN2O2.ClH/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23;/h3-16,34H,17-22H2,1-2H3;1H",PGYPOBZJRVSMDS-UHFFFAOYSA-N,C29H34Cl2N2O2,513.5,512.1997337,,43.8,623,0,2,3,7,35,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Thioxanthene-delta(sup 9),gamma-propylamine, 2-chloro-N,N-dimethyl-, (Z)-",000113-59-7,667467,"(3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine",CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl,"InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-",WSPOMRSOLSGNFJ-AUWJEWJLSA-N,C18H18ClNS,315.9,315.0848484,5.2,28.5,381,0,0,2,3,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"Thioxanthene, 2-chloro-9-(3-(dimethylamino)propylidene)-, hydrochloride, (Z)-",6469-93-8,5282478,"(3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride",CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl,"InChI=1S/C18H18ClNS.ClH/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18;/h3-4,6-10,12H,5,11H2,1-2H3;1H/b14-7-;",YWKRLOSRDGPEJR-KIUKIJHYSA-N,C18H19Cl2NS,352.3,351.0615262,,28.5,381,0,1,2,3,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Propanamine, 3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)",861959-57-1,24892862,"(3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid",CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,"InChI=1S/C18H18ClNS.C6H8O7/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-4,6-10,12H,5,11H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b14-7-;",VLSAIYYYWWMOOQ-KIUKIJHYSA-N,C24H26ClNO7S,508,507.111851,,161,609,0,4,9,8,34,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ARISTOLOCHIC ACID I,000313-67-7,2236,"8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid",COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O,"InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)",BBFQZRXNYIEMAW-UHFFFAOYSA-N,C17H11NO7,341.27,341.0535517,3.6,111,550,0,1,7,2,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-, sodium salt",10190-99-5,154914,"sodium 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate",COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)[O-].[Na+],"InChI=1S/C17H11NO7.Na/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13;/h2-6H,7H2,1H3,(H,19,20);/q;+1/p-1",BQVOPWJSBBMGBR-UHFFFAOYSA-M,C17H10NNaO7,363.25,363.0354959,,114,544,0,0,7,1,26,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ARISTOLOCHIC ACID II,000475-80-9,108168,"6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid",C1OC2=C(O1)C3=C(C(=C2)C(=O)O)C(=CC4=CC=CC=C43)[N+](=O)[O-],"InChI=1S/C16H9NO6/c18-16(19)10-6-12-15(23-7-22-12)14-9-4-2-1-3-8(9)5-11(13(10)14)17(20)21/h1-6H,7H2,(H,18,19)",MEEXETVZNQYRSP-UHFFFAOYSA-N,C16H9NO6,311.24,311.042987,3.6,102,505,0,1,6,1,23,,,0,1,1,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
MONOCROTALINE,000315-22-0,9415,"(1R,4R,5R,6R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione",C[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O,"InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-/m0/s1",QVCMHGGNRFRMAD-XFGHUUIASA-N,C16H23NO6,325.36,325.1525375,-0.7,96.3,575,0,2,7,0,23,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"20-Norcrotalanan-11,15-dione, 14,19-dihydro-13-hydroxy-, (12-xi,13-xi)-",006029-87-4,442726,"(1R,4R,5S,6S,16R)-5-hydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione",C[C@@H]1C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)[C@@H]([C@@]1(C)O)C,"InChI=1S/C16H23NO5/c1-9-14(18)21-8-11-4-6-17-7-5-12(13(11)17)22-15(19)10(2)16(9,3)20/h4,9-10,12-13,20H,5-8H2,1-3H3/t9-,10+,12-,13-,16+/m1/s1",PSUFRPOAICRSTC-ZLGRWFNRSA-N,C16H23NO5,309.36,309.1576228,0.2,76.1,531,0,1,6,0,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
CORTISONE,000053-06-5,222786,"(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione",C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C,"InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1",MFYSYFVPBJMHGN-ZPOLXVRWSA-N,C21H28O5,360.4,360.193674,1.5,91.7,724,0,2,5,2,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Pregn-4-ene-3,11,20-trione",000516-15-4,94166,"(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione",CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,"InChI=1S/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-17,19H,4-9,11H2,1-3H3/t15-,16+,17-,19+,20-,21+/m0/s1",WKAVAGKRWFGIEA-DADBAOPHSA-N,C21H28O3,328.4,328.2038448,2.4,51.2,660,0,0,3,1,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Dibenz(b,e)oxepin-2-acetic acid, 11-(3-(dimethylamino)propylidene)-6,11-dihydro-, (11Z)-",113806-05-6,5281071,2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid,CN(C)CC/C=C\1/C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O,"InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8-",JBIMVDZLSHOPLA-LSCVHKIXSA-N,C21H23NO3,337.4,337.1677936,1.5,49.8,488,0,1,4,5,25,,,1,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0
"Dibenz(b,e)oxepin-2-acetic acid, 11-(3-(dimethylamino)propylidene)-6,11-dihydro-, hydrochloride, (11Z)-",140462-76-6,5282402,2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid;hydrochloride,CN(C)CC/C=C\1/C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O.Cl,"InChI=1S/C21H23NO3.ClH/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24;/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24);1H/b18-8-;",HVRLZEKDTUEKQH-NOILCQHBSA-N,C21H24ClNO3,373.9,373.1444713,,49.8,488,0,2,4,5,26,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
AMOXAPINE,014028-44-5,2170,"8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine",C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl,"InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2",QWGDMFLQWFTERH-UHFFFAOYSA-N,C17H16ClN3O,313.8,313.0981898,2.6,36.9,424,0,1,3,1,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Succinic acid, compd. with 2-chloro-11-(4-methyl-1-piperazinyl)dibenz(b,f)(1,4)oxazepine (1:1)",27833-64-3,71399,"butanedioic acid;8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine",CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl.C(CC(=O)O)C(=O)O,"InChI=1S/C18H18ClN3O.C4H6O4/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18;5-3(6)1-2-4(7)8/h2-7,12H,8-11H2,1H3;1-2H2,(H,5,6)(H,7,8)",YQZBAXDVDZTKEQ-UHFFFAOYSA-N,C22H24ClN3O5,445.9,445.1404486,,103,542,0,2,7,4,31,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Dibenzo(b,f)(1,4)thiazepine, 2-chloro-11-(4-methyl-1-piperazinyl)-",002058-52-8,16351,"8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine",CN1CCN(CC1)C2=NC3=CC=CC=C3SC4=C2C=C(C=C4)Cl,"InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3",KAAZGXDPUNNEFN-UHFFFAOYSA-N,C18H18ClN3S,343.9,343.0909965,3.6,44.1,450,0,0,3,1,23,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Dibenzo(b,f)(1,4)thiazepin-7-ol, 11-(4-(2-(2-hydroxyethoxy)ethyl)-1-piperazinyl)-",139079-39-3,132203,"6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]benzo[b][1,4]benzothiazepin-2-ol",C1CN(CCN1CCOCCO)C2=NC3=C(C=C(C=C3)O)SC4=CC=CC=C42,"InChI=1S/C21H25N3O3S/c25-12-14-27-13-11-23-7-9-24(10-8-23)21-17-3-1-2-4-19(17)28-20-15-16(26)5-6-18(20)22-21/h1-6,15,25-26H,7-14H2",VEGVCHRFYPFJFO-UHFFFAOYSA-N,C21H25N3O3S,399.5,399.1616628,1.8,93.8,527,0,2,6,6,28,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanol, 2-(2-(4-dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)-",111974-69-7,5002,"2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol",C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42,"InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2",URKOMYMAXPYINW-UHFFFAOYSA-N,C21H25N3O2S,383.5,383.1667482,2.1,73.6,496,0,1,5,6,27,9.7 °C (49.5 °F) - closed cup,556.5±60.0,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
"METHANAMINIUM, N-[4-[[4-(DIMETHYLAMINO)PHENYL][4-(ETHYLAMINO)-1-NAPHTHALENYL]M",002185-86-6,16599,[4-[bis[4-(dimethylamino)phenyl]methylidene]naphthalen-1-ylidene]-ethylazanium chloride,CC[NH+]=C1C=CC(=C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C4=CC=CC=C14.[Cl-],"InChI=1S/C29H31N3.ClH/c1-6-30-28-20-19-27(25-9-7-8-10-26(25)28)29(21-11-15-23(16-12-21)31(2)3)22-13-17-24(18-14-22)32(4)5;/h7-20H,6H2,1-5H3;1H",JEVGKYBUANQAKG-UHFFFAOYSA-N,C29H32ClN3,458,457.2284757,,20.5,670,0,1,3,5,33,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANAMINIUM, N-[4-[[4-(DIETHYLAMINO)PHENYL][4-(ETHYLAMINO)-1-NAPHTHALENYL]MET",001325-87-7,413728,[4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-ethylazanium,CC[NH+]=C1C=CC(=C(C2=CC=C(C=C2)N(CC)CC)C3=CC=C(C=C3)N(CC)CC)C4=CC=CC=C14,"InChI=1S/C33H39N3/c1-6-34-32-24-23-31(29-13-11-12-14-30(29)32)33(25-15-19-27(20-16-25)35(7-2)8-3)26-17-21-28(22-18-26)36(9-4)10-5/h11-24H,6-10H2,1-5H3/p+1",ALMMLSQBERCMRB-UHFFFAOYSA-O,C33H40N3+,478.7,478.3222233,7.9,20.5,722,1,1,2,9,36,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANAMINIUM, N-[4-[[4-(DIETHYLAMINO)PHENYL][4-(ETHYLAMINO)-1-NAPHTHALENYL]MET",002390-60-5,75444,[4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-ethylazanium chloride,CC[NH+]=C1C=CC(=C(C2=CC=C(C=C2)N(CC)CC)C3=CC=C(C=C3)N(CC)CC)C4=CC=CC=C14.[Cl-],"InChI=1S/C33H39N3.ClH/c1-6-34-32-24-23-31(29-13-11-12-14-30(29)32)33(25-15-19-27(20-16-25)35(7-2)8-3)26-17-21-28(22-18-26)36(9-4)10-5;/h11-24H,6-10H2,1-5H3;1H",ROVRRJSRRSGUOL-UHFFFAOYSA-N,C33H40ClN3,514.1,513.291076,,20.5,722,0,1,3,9,37,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"QUINOXALINE, 1,2,3,4-TETRAHYDRO-",003476-89-9,77028,"1,2,3,4-tetrahydroquinoxaline",C1CNC2=CC=CC=C2N1,"InChI=1S/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4,9-10H,5-6H2",HORKYAIEVBUXGM-UHFFFAOYSA-N,C8H10N2,134.18,134.0843983,1.7,24.1,99,0,2,2,0,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIAZOFOS,024017-47-8,32184,"diethoxy-[(1-phenyl-1,2,4-triazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane",CCOP(=S)(OCC)OC1=NN(C=N1)C2=CC=CC=C2,"InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3",AMFGTOFWMRQMEM-UHFFFAOYSA-N,C12H16N3O3PS,313.31,313.0649996,3.5,90.5,332,0,0,6,7,20,,"Decomposes before boiling (EPA, 1998)",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-(4-METHOXYPHENYL)-1H-1,2,4-TRIAZOLE",068377-33-3,11084390,"1-(4-methoxyphenyl)-1,2,4-triazole",COC1=CC=C(C=C1)N2C=NC=N2,"InChI=1S/C9H9N3O/c1-13-9-4-2-8(3-5-9)12-7-10-6-11-12/h2-7H,1H3",HXCCOAUMJBFQCC-UHFFFAOYSA-N,C9H9N3O,175.19,175.0745619,1.6,39.9,157,0,0,3,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1,2,4-Triazole-3-carboxylic acid, 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-, ethyl ester",103112-35-2,3033865,"ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate",CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl,"InChI=1S/C12H8Cl5N3O2/c1-2-22-10(21)9-18-11(12(15,16)17)20(19-9)8-4-3-6(13)5-7(8)14/h3-5H,2H2,1H3",GMBRUAIJEFRHFQ-UHFFFAOYSA-N,C12H8Cl5N3O2,403.5,402.902965,5.1,57,409,0,0,4,4,22,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Thiopheneacetic acid, 5-benzoyl-alpha-methyl-",033005-95-7,5468,2-(5-benzoylthiophen-2-yl)propanoic acid,CC(C1=CC=C(S1)C(=O)C2=CC=CC=C2)C(=O)O,"InChI=1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)",GUHPRPJDBZHYCJ-UHFFFAOYSA-N,C14H12O3S,260.31,260.0507154,3.3,82.6,323,0,1,4,4,18,,,0,1,1,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
"Hydratropic acid, p-(2-thenoyl)-",040828-46-4,5359,2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid,CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O,"InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)",MDKGKXOCJGEUJW-UHFFFAOYSA-N,C14H12O3S,260.31,260.0507154,3.3,82.6,321,0,1,4,4,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ETODOLAC (FEMALE),041340-25-4,3308,"2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid",CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)O,"InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)",NNYBQONXHNTVIJ-UHFFFAOYSA-N,C17H21NO3,287.35,287.1521435,2.8,62.3,399,0,2,3,4,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
"Pyrano(3,4-b)indole-1-acetic acid, 1,3,4,9-tetrahydro-1-ethyl-9-methyl-",41340-19-6,12272838,"2-(1-ethyl-8-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid",CCC1(C2=C(CCO1)C3=CC=CC(=C3N2)C)CC(=O)O,"InChI=1S/C16H19NO3/c1-3-16(9-13(18)19)15-12(7-8-20-16)11-6-4-5-10(2)14(11)17-15/h4-6,17H,3,7-9H2,1-2H3,(H,18,19)",MXFIBWNLCQBCCN-UHFFFAOYSA-N,C16H19NO3,273.33,273.1364935,2.4,62.3,386,0,2,3,3,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
"Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1,8-diethyl-1-methyl-",115066-03-0,154191,"1,8-diethyl-1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole",CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(C)CC,"InChI=1S/C16H21NO/c1-4-11-7-6-8-12-13-9-10-18-16(3,5-2)15(13)17-14(11)12/h6-8,17H,4-5,9-10H2,1-3H3",IYMCQNNWNNRAQH-UHFFFAOYSA-N,C16H21NO,243.34,243.1623143,3.7,25,305,0,1,1,2,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Methanesulfon-m-anisidide, 4'-(9-acridinylamino)-, monohydrochloride",54301-15-4,148673,N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;hydrochloride,COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42.Cl,"InChI=1S/C21H19N3O3S.ClH/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21;/h3-13,24H,1-2H3,(H,22,23);1H",WDISRLXRMMTXEV-UHFFFAOYSA-N,C21H20ClN3O3S,429.9,429.0913904,,88.7,601,0,3,6,5,29,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"THIOPHENE, 3-BROMO-2,3-DIHYDRO-, 1,1-DIOXIDE",053336-42-8,99822,"3-bromo-2,3-dihydrothiophene 1,1-dioxide",C1C(C=CS1(=O)=O)Br,"InChI=1S/C4H5BrO2S/c5-4-1-2-8(6,7)3-4/h1-2,4H,3H2",OFHNLUNDNLABJQ-UHFFFAOYSA-N,C4H5BrO2S,197.05,195.91936,0.4,42.5,199,0,0,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiophene-3-ol, 2,3-dihydro-, 1,1-dioxide",6211-59-2,201549,"1,1-dioxo-2,3-dihydrothiophen-3-ol",C1C(C=CS1(=O)=O)O,"InChI=1S/C4H6O3S/c5-4-1-2-8(6,7)3-4/h1-2,4-5H,3H2",UGEUCEAIWUTYIC-UHFFFAOYSA-N,C4H6O3S,134.16,134.0037652,-1,62.8,196,0,1,3,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MIDAZOLAM,059467-70-8,4192,"8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine",CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F,"InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3",DDLIGBOFAVUZHB-UHFFFAOYSA-N,C18H13ClFN3,325.8,325.0782033,2.5,30.2,471,0,0,3,1,23,,496.9±55.0,0,1,0,1,0,0,1,0,0,0,0,0,0,1,1,0,0,1,0,0
"4H-Imidazo(1,5-a)(1,4)benzodiazepine, 8-chloro-6-(2-fluorophenyl)-1-methyl-,(Z)-2-butenedioate (1:1)",59467-94-6,5384200,"(Z)-but-2-enedioic acid;8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine",CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C18H13ClFN3.C4H4O4/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13;5-3(6)1-2-4(7)8/h2-9H,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-",XYGVIBXOJOOCFR-BTJKTKAUSA-N,C22H17ClFN3O4,441.8,441.0891619,,105,590,0,2,7,3,31,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"IH-Dibenz(c,f)imidazo(1,5-a)azepin-3-amine, 9,13b-dihydro-, hydrochloride",108929-04-0,157313,"2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine;hydrochloride",C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)N.Cl,"InChI=1S/C16H15N3.ClH/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16;/h1-8,15H,9-10H2,(H2,17,18);1H",VKXSGUIOOQPGAF-UHFFFAOYSA-N,C16H16ClN3,285.77,285.1032752,,41.6,378,0,2,1,0,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Dibenz(c,f)imidazo(1,5-a)azepin-3-amine, 9,13b-dihydro-, hydrobromide",80012-42-6,3061907,"2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine;hydrobromide",C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)N.Br,"InChI=1S/C16H15N3.BrH/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16;/h1-8,15H,9-10H2,(H2,17,18);1H",ADPMHRDERZTFIN-UHFFFAOYSA-N,C16H16BrN3,330.22,329.05276,,41.6,378,0,2,1,0,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Dibenz(c,f)imidazo(1,5-a)azepin-3-amine, 9,13b-dihydro-",80012-43-7,3241,"2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine",C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)N,"InChI=1S/C16H15N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15H,9-10H2,(H2,17,18)",WHWZLSFABNNENI-UHFFFAOYSA-N,C16H15N3,249.31,249.1265975,3.5,41.6,378,0,1,1,0,19,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Morphinan-6-alpha-ol, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-, sulf",001420-53-7,21155870,"bis((4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol);sulfuric acid;trihydrate",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.O.O.O.OS(=O)(=O)O,"InChI=1S/2C18H21NO3.H2O4S.3H2O/c2*1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;1-5(2,3)4;;;/h2*3-6,11-13,17,20H,7-9H2,1-2H3;(H2,1,2,3,4);3*1H2/t2*11-,12+,13-,17-,18-;;;;/m00..../s1",BOLDZXRCJAJADM-AAXBYHQXSA-N,C36H50N2O13S,750.9,750.3033608,,170,590,0,7,15,2,52,,,0,0,1,1,0,0,0,0,0,0,0,0,0,1,1,0,0,1,0,1
MORPHINE SULFATE,000064-31-3,16051935,"bis((4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol);sulfuric acid",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.OS(=O)(=O)O,"InChI=1S/2C17H19NO3.H2O4S/c2*1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;1-5(2,3)4/h2*2-5,10-11,13,16,19-20H,6-8H2,1H3;(H2,1,2,3,4)/t2*10-,11+,13-,16-,17-;/m00./s1",USAHOPJHPJHUNS-IFCNUISUSA-N,C34H40N2O10S,668.8,668.2403667,,189,576,0,6,12,0,47,,,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
MORPHINE SULFATE PENTAHYDRATE,006211-15-0,6321225,"bis((4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol);sulfuric acid;pentahydrate",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.O.O.O.O.O.OS(=O)(=O)O,"InChI=1S/2C17H19NO3.H2O4S.5H2O/c2*1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;1-5(2,3)4;;;;;/h2*2-5,10-11,13,16,19-20H,6-8H2,1H3;(H2,1,2,3,4);5*1H2/t2*10-,11+,13-,16-,17-;;;;;;/m00....../s1",GRVOTVYEFDAHCL-RTSZDRIGSA-N,C34H50N2O15S,758.8,758.2931901,,194,576,0,11,17,0,52,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl)-",035554-44-0,37175,"1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole",C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl,"InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2",PZBPKYOVPCNPJY-UHFFFAOYSA-N,C14H14Cl2N2O,297.2,296.0483185,3.8,27.1,291,0,0,2,6,19,192 °C,347 °C,0,0,1,1,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Imidazole-1-ethanol, alpha-(2,4-dichlorophenyl)-",24155-42-8,32238,"1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol",C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)O,"InChI=1S/C11H10Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2",UKVLTPAGJIYSGN-UHFFFAOYSA-N,C11H10Cl2N2O,257.11,256.0170183,2.6,38.1,230,0,1,2,3,16,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-(2-propen-1-yloxy)ethyl)-, sulfate (1:1)",58594-72-2,173636,"1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole;sulfuric acid",C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl.OS(=O)(=O)O,"InChI=1S/C14H14Cl2N2O.H2O4S/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16;1-5(2,3)4/h2-6,8,10,14H,1,7,9H2;(H2,1,2,3,4)",XVTXMTOYQVRHSK-UHFFFAOYSA-N,C14H16Cl2N2O5S,395.3,394.0156982,,110,372,0,2,6,6,24,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-IMIDAZOLIDINETHIONE, 1,3-BIS(HYDROXYMETHYL)-",015534-95-9,27369,"1,3-bis(hydroxymethyl)imidazolidine-2-thione",C1CN(C(=S)N1CO)CO,"InChI=1S/C5H10N2O2S/c8-3-6-1-2-7(4-9)5(6)10/h8-9H,1-4H2",QXYJLKUVMPXXKA-UHFFFAOYSA-N,C5H10N2O2S,162.21,162.0462987,-0.8,79,128,0,2,3,2,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0
"2-Imidazolidinethione, 1-isopropyl-4,4-dimethyl-",31596-21-1,3032889,"4,4-dimethyl-1-propan-2-ylimidazolidine-2-thione",CC(C)N1CC(NC1=S)(C)C,"InChI=1S/C8H16N2S/c1-6(2)10-5-8(3,4)9-7(10)11/h6H,5H2,1-4H3,(H,9,11)",BYHBWAODCZSHPZ-UHFFFAOYSA-N,C8H16N2S,172.29,172.1034197,1.3,47.4,175,0,1,1,1,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
ETHYLENE THIOUREA,000096-45-7,2723650,imidazolidine-2-thione,C1CNC(=S)N1,"InChI=1S/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)",PDQAZBWRQCGBEV-UHFFFAOYSA-N,C3H6N2S,102.16,102.0251694,-0.7,56.2,63,0,2,1,0,6,"486 °F (NTP, 1992)","446 to 595 °F at 760 mmHg (NIOSH, 2024)",0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
GLUTARIC ANHYDRIDE,000108-55-4,7940,"oxane-2,6-dione",C1CC(=O)OC(=O)C1,InChI=1S/C5H6O3/c6-4-2-1-3-5(7)8-4/h1-3H2,VANNPISTIUFMLH-UHFFFAOYSA-N,C5H6O3,114.1,114.031694,-0.1,43.4,114,0,0,3,0,8,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3-DIMETHYLGLUTARIC ANHYDRIDE",004160-82-1,77813,"4,4-dimethyloxane-2,6-dione",CC1(CC(=O)OC(=O)C1)C,"InChI=1S/C7H10O3/c1-7(2)3-5(8)10-6(9)4-7/h3-4H2,1-2H3",HIJQFTSZBHDYKW-UHFFFAOYSA-N,C7H10O3,142.15,142.0629942,0.7,43.4,163,0,0,3,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"s-Triazin-2(1H)-one, 4-amino-1-beta-D-arabinofuranosyl-",65886-71-7,47751,"4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one",C1=NC(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O)N,"InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5+,6-/m1/s1",NMUSYJAQQFHJEW-ARQDHWQXSA-N,C8H12N4O5,244.2,244.0807695,-2.2,141,384,0,4,5,2,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-AZACYTIDINE,000320-67-2,9444,"4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one",C1=NC(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N,"InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1",NMUSYJAQQFHJEW-KVTDHHQDSA-N,C8H12N4O5,244.2,244.0807695,-2.2,141,384,0,4,5,2,17,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ETHIDIUM BROMIDE,001239-45-8,14710,"5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine bromide",CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[Br-],"InChI=1S/C21H19N3.BrH/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14;/h3-13,23H,2,22H2,1H3;1H",ZMMJGEGLRURXTF-UHFFFAOYSA-N,C21H20BrN3,394.3,393.08406,,55.9,419,0,2,3,2,25,>100  °C,,0,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
PROPIDIUM IODIDE,025535-16-4,104981,"3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium diiodide",CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[I-].[I-],"InChI=1S/C27H33N4.2HI/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20;;/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3;2*1H/q+1;;/p-1",XJMOSONTPMZWPB-UHFFFAOYSA-M,C27H34I2N4,668.4,668.08729,,55.9,555,0,2,4,7,33,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"Phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide",518-67-2,68207,"5-methyl-6-phenylphenanthridin-5-ium-3,8-diamine bromide",C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[Br-],"InChI=1S/C20H17N3.BrH/c1-23-19-12-15(22)8-10-17(19)16-9-7-14(21)11-18(16)20(23)13-5-3-2-4-6-13;/h2-12,22H,21H2,1H3;1H",MQOKYEROIFEEBH-UHFFFAOYSA-N,C20H18BrN3,380.3,379.06841,,55.9,406,0,2,3,1,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DEHYDROISOANDROSTERONE,000053-43-0,5881,"(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one",C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1",FMGSKLZLMKYGDP-USOAJAOKSA-N,C19H28O2,288.4,288.2089301,3.2,37.3,508,0,1,2,0,21,,,1,1,1,1,0,1,1,1,0,0,0,0,0,1,0,0,1,0,0,1
"Androst-5-en-17-one, 3-beta-hydroxy-, ester with sodium sulfate",001099-87-2,23668320,"sodium [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfate",C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)[O-])C.[Na+],"InChI=1S/C19H28O5S.Na/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18;/h3,13-16H,4-11H2,1-2H3,(H,21,22,23);/q;+1/p-1/t13-,14-,15-,16-,18-,19-;/m0./s1",GFJWACFSUSFUOG-ZJTJBYBXSA-M,C19H27NaO5S,390.5,390.1476894,,91.9,727,0,0,5,2,26,,,0,1,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Androst-5-en-17-one, 3-beta-hydroxy-, acetate",853-23-6,14709,"[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate",CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)C,"InChI=1S/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17-,18-,20-,21-/m0/s1",NCMZQTLCXHGLOK-ZKHIMWLXSA-N,C21H30O3,330.5,330.2194948,3.8,43.4,606,0,0,3,2,24,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
NORANDROSTENEDIONE,000734-32-7,92834,"(8R,9S,10R,13S,14S)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione",C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@H]34,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-16H,2-9H2,1H3/t13-,14+,15+,16-,18-/m0/s1",JRIZOGLBRPZBLQ-QXUSFIETSA-N,C18H24O2,272.4,272.17763,2.5,34.1,504,0,0,2,0,20,,,1,1,0,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"4-HYDROXY-ANDROST-4-ENE-3,17-DIONE",000566-48-3,11273,"(8R,9S,10R,13S,14S)-4-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione",C[C@]12CCC(=O)C(=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O,"InChI=1S/C19H26O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-13,22H,3-10H2,1-2H3/t11-,12-,13-,18+,19-/m0/s1",OSVMTWJCGUFAOD-KZQROQTASA-N,C19H26O3,302.4,302.1881947,2.6,54.4,589,0,1,3,0,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
GOSSYPOL,000303-45-7,3503,"7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde",CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O,"InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3",QBKSWRVVCFFDOT-UHFFFAOYSA-N,C30H30O8,518.6,518.1940679,6.9,156,780,0,6,8,5,38,,,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"BETA,BETA'-BINAPHTHYL",000612-78-2,69166,2-naphthalen-2-ylnaphthalene,C1=CC=C2C=C(C=CC2=C1)C3=CC4=CC=CC=C4C=C3,InChI=1S/C20H14/c1-3-7-17-13-19(11-9-15(17)5-1)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H,MSBVBOUOMVTWKE-UHFFFAOYSA-N,C20H14,254.3,254.1095504,6,0,288,0,0,0,1,20,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
GOSSYPOL-ACETIC ACID,012542-36-8,227456,"acetic acid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde",CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O.CC(=O)O,"InChI=1S/C30H30O8.C2H4O2/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36;1-2(3)4/h7-12,33-38H,1-6H3;1H3,(H,3,4)",NIOHNDKHQHVLKA-UHFFFAOYSA-N,C32H34O10,578.6,578.2151973,,193,811,0,7,10,5,42,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
NALIDIXIC ACID,000389-08-2,4421,"1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid",CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O,"InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)",MHWLWQUZZRMNGJ-UHFFFAOYSA-N,C12H12N2O3,232.23,232.0847923,1.4,70.5,378,0,1,5,2,17,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0
SODIUM NALIDIXATE,003374-05-8,3864541,"sodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate",CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)[O-].[Na+],"InChI=1S/C12H12N2O3.Na/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14;/h4-6H,3H2,1-2H3,(H,16,17);/q;+1/p-1",ROKRAUFZFDQWLE-UHFFFAOYSA-M,C12H11N2NaO3,254.22,254.0667365,,73.3,384,0,0,5,2,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"4-HYDROXY-7-METHYL-1, 8-NAPHTHYRIDINE-3-CARBOXYLIC ACID",013250-97-0,5373672,"7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid",CC1=NC2=C(C=C1)C(=O)C(=CN2)C(=O)O,"InChI=1S/C10H8N2O3/c1-5-2-3-6-8(13)7(10(14)15)4-11-9(6)12-5/h2-4H,1H3,(H,14,15)(H,11,12,13)",WHJTTWIMQIGVJK-UHFFFAOYSA-N,C10H8N2O3,204.18,204.0534921,1.5,79.3,338,0,2,5,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Estra-4,9-dien-3-one, 11-(4-(dimethylamino)phenyl)-17-hydroxy-17-(3-hydroxypro",096346-61-1,5311505,"(8S,11R,13R,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(3-hydroxypropyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one",C[C@@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(CCCO)O)C5=CC=C(C=C5)N(C)C,"InChI=1S/C29H39NO3/c1-28-18-25(19-5-8-21(9-6-19)30(2)3)27-23-12-10-22(32)17-20(23)7-11-24(27)26(28)13-15-29(28,33)14-4-16-31/h5-6,8-9,17,24-26,31,33H,4,7,10-16,18H2,1-3H3/t24-,25+,26-,28+,29+/m0/s1",IEXUMDBQLIVNHZ-YOUGDJEHSA-N,C29H39NO3,449.6,449.2929941,3.2,60.8,836,0,2,4,5,33,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"19-Norpregna-4,9-diene-3,20-dione, 17-(acetyloxy)-11-(4-(dimethylamino)phenyl)-, (11-beta)-",126784-99-4,130904,"[(8S,11R,13S,14S,17R)-17-acetyl-11-[4-(dimethylamino)phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate",CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)OC(=O)C,"InChI=1S/C30H37NO4/c1-18(32)30(35-19(2)33)15-14-27-25-12-8-21-16-23(34)11-13-24(21)28(25)26(17-29(27,30)3)20-6-9-22(10-7-20)31(4)5/h6-7,9-10,16,25-27H,8,11-15,17H2,1-5H3/t25-,26+,27-,29-,30-/m0/s1",OOLLAFOLCSJHRE-ZHAKMVSLSA-N,C30H37NO4,475.6,475.2722587,3.5,63.7,984,0,0,5,5,35,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,1
"1,4,5,6-TETRAHYDRO-1,2-DIMETHYLPYRIMIDINE",004271-96-9,77953,"1,2-dimethyl-5,6-dihydro-4H-pyrimidine",CC1=NCCCN1C,"InChI=1S/C6H12N2/c1-6-7-4-3-5-8(6)2/h3-5H2,1-2H3",ZFDWWDZLRKHULH-UHFFFAOYSA-N,C6H12N2,112.17,112.1000484,-0.2,15.6,107,0,0,1,0,8,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
HYDROXYECTOINE,165542-15-4,12011795,"(5S,6S)-5-hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid",CC1=NC[C@@H]([C@H](N1)C(=O)O)O,"InChI=1S/C6H10N2O3/c1-3-7-2-4(9)5(8-3)6(10)11/h4-5,9H,2H2,1H3,(H,7,8)(H,10,11)/t4-,5-/m0/s1",KIIBBJKLKFTNQO-WHFBIAKZSA-N,C6H10N2O3,158.16,158.0691422,-1.2,81.9,202,0,3,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Pyrimidinecarboxylic acid, hexahydro-2-imino-, (+)-",28958-94-3,206957,"2-amino-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid",C1CN=C(NC1C(=O)O)N,"InChI=1S/C5H9N3O2/c6-5-7-2-1-3(8-5)4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)",WTOIKBZVZXPOIR-UHFFFAOYSA-N,C5H9N3O2,143.14,143.0694765,-1.4,87.7,178,0,3,3,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1,2,4-Triazole, 1-((2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl)methyl)-",60207-31-0,43233,"1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole",C1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl,"InChI=1S/C12H11Cl2N3O2/c13-9-1-2-10(11(14)5-9)12(18-3-4-19-12)6-17-8-15-7-16-17/h1-2,5,7-8H,3-4,6H2",AKNQMEBLVAMSNZ-UHFFFAOYSA-N,C12H11Cl2N3O2,300.14,299.022832,2.3,49.2,315,0,0,4,3,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-((2-(2,4-DICHLOROPHENYL)-4-PROPYL-1,3-DIOXOLAN-2-YL)METHYL)-1H-1,2,4-TRIAZOLE",060207-90-1,43234,"1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole",CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl,"InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3",STJLVHWMYQXCPB-UHFFFAOYSA-N,C15H17Cl2N3O2,342.2,341.0697822,3.5,49.2,377,0,0,4,5,22,,180 °C at 0.1 mm Hg,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,1,0,0
LOVASTATIN,075330-75-5,53232,"[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate",CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C,"InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1",PCZOHLXUXFIOCF-BXMDZJJMSA-N,C24H36O5,404.5,404.2562742,4.3,72.8,666,0,1,5,7,29,,,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,1,1,0
"Butanoic acid, 2,2-dimethyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrah",079902-63-9,54454,"[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate",CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C,"InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1",RYMZZMVNJRMUDD-HGQWONQESA-N,C25H38O5,418.6,418.2719243,4.7,72.8,706,0,1,5,7,30,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"7H-BENZ[DE]ANTHRACEN-7-ONE, 3-BROMO-",000081-96-9,6696,3-bromobenzo[b]phenalen-7-one,C1=CC=C2C(=C1)C3=C4C(=C(C=C3)Br)C=CC=C4C2=O,InChI=1S/C17H9BrO/c18-15-9-8-11-10-4-1-2-5-12(10)17(19)14-7-3-6-13(15)16(11)14/h1-9H,WVECFEIAZAKUNF-UHFFFAOYSA-N,C17H9BrO,309.16,307.98368,5,17.1,379,0,0,1,0,19,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
METHYPRYLON (NOLUDAR),000125-64-4,4162,"3,3-diethyl-5-methylpiperidine-2,4-dione",CCC1(C(=O)C(CNC1=O)C)CC,"InChI=1S/C10H17NO2/c1-4-10(5-2)8(12)7(3)6-11-9(10)13/h7H,4-6H2,1-3H3,(H,11,13)",SIDLZWOQUZRBRU-UHFFFAOYSA-N,C10H17NO2,183.25,183.1259288,0.8,46.2,231,0,1,2,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"2,4-PIPERIDINEDIONE",050607-30-2,10887863,"piperidine-2,4-dione",C1CNC(=O)CC1=O,"InChI=1S/C5H7NO2/c7-4-1-2-6-5(8)3-4/h1-3H2,(H,6,8)",RDNZDMDLRIQQAX-UHFFFAOYSA-N,C5H7NO2,113.11,113.0476785,-0.8,46.2,130,0,1,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"2,4-Piperidinedione, 3,3-diethyl-",77-03-2,6465,"3,3-diethylpiperidine-2,4-dione",CCC1(C(=O)CCNC1=O)CC,"InChI=1S/C9H15NO2/c1-3-9(4-2)7(11)5-6-10-8(9)12/h3-6H2,1-2H3,(H,10,12)",RGEVWUKXWFOAID-UHFFFAOYSA-N,C9H15NO2,169.22,169.1102787,0.8,46.2,207,0,1,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenoxypropionamido)-, monopotassium salt",132-93-4,23675317,"potassium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxypropanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CC(C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)[O-])OC3=CC=CC=C3.[K+],"InChI=1S/C17H20N2O5S.K/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14(21)19-12(16(22)23)17(2,3)25-15(11)19;/h4-9,11-12,15H,1-3H3,(H,18,20)(H,22,23);/q;+1/p-1/t9?,11-,12+,15-;/m1./s1",ORMNNUPLFAPCFD-DVLYDCSHSA-M,C17H19KN2O5S,402.5,402.0651744,,124,582,0,1,6,5,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"2H-1,2,4-Benzothiadiazine, 7-chloro-3-methyl-, 1,1-dioxide",000364-98-7,3019,"7-chloro-3-methyl-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide",CC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)Cl,"InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)",GDLBFKVLRPITMI-UHFFFAOYSA-N,C8H7ClN2O2S,230.67,229.9916763,1.2,66.9,360,0,1,3,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,1
CHLOROTHIAZIDE,000058-94-6,2720,"6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide",C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2,"InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)",JBMKAUGHUNFTOL-UHFFFAOYSA-N,C7H6ClN3O4S2,295.7,294.9488257,-0.2,135,532,0,2,6,1,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"2H-1,2,4-Benzothiadiazine-6-methanamine, 3-methyl-, 1,1-dioxide, monohydrochloride",79987-38-5,3061886,"(3-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-6-yl)methanamine;hydrochloride",CC1=NS(=O)(=O)C2=C(N1)C=C(C=C2)CN.Cl,"InChI=1S/C9H11N3O2S.ClH/c1-6-11-8-4-7(5-10)2-3-9(8)15(13,14)12-6;/h2-4H,5,10H2,1H3,(H,11,12);1H",JXVVFBYMAHZDTP-UHFFFAOYSA-N,C9H12ClN3O2S,261.73,261.0338755,,92.9,371,0,3,4,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYLFERROCENE,001273-89-8,16213263,,CC[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe],"InChI=1S/C7H9.C5H5.Fe/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;/h3-6H,2H2,1H3;1-5H;",XEYMPZDIHJESAH-UHFFFAOYSA-N,C12H14Fe,214.08,214.044486,,0,53,0,0,0,1,13,,,0,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
BIS(CYCLOPENTADIENYL)NIOBIUM DICHLORIDE,012793-14-5,16211739,,[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.Cl[Nb]Cl,InChI=1S/2C5H5.2ClH.Nb/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2,CYMWZQTUXXEBCR-UHFFFAOYSA-L,C10H10Cl2Nb,294,292.92233,,0,14,0,0,0,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BIS(CYCLOPENTADIENYL)OSMIUM,001273-81-0,102601604,,[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Os],InChI=1S/2C5H5.Os/c2*1-2-4-5-3-1;/h2*1-5H;,RBPKLTFNJHKDRH-UHFFFAOYSA-N,C10H10Os,320.4,322.03973,,0,11,0,0,0,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BISAZOBIPHENYL DYE,003530-19-6,165134,"disodium;8-[[4-[4-[(4-ethoxyphenyl)diazenyl]phenyl]phenyl]diazenyl]-7-hydroxynaphthalene-1,3-disulfonate",CCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=NC4=C(C=CC5=CC(=CC(=C54)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+],"InChI=1S/C30H24N4O8S2.2Na/c1-2-42-25-14-12-24(13-15-25)32-31-22-8-3-19(4-9-22)20-5-10-23(11-6-20)33-34-30-27(35)16-7-21-17-26(43(36,37)38)18-28(29(21)30)44(39,40)41;;/h3-18,35H,2H2,1H3,(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2",PHOZXQMVPWPNAP-UHFFFAOYSA-L,C30H22N4Na2O8S2,676.6,676.0674446,,210,1170,0,1,12,7,46,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BISAZOBIPHENYL DYE,006358-29-8,22827,"disodium;8-[[4-[4-[(4-ethoxyphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-7-hydroxynaphthalene-1,3-disulfonate",CCOC1=CC=C(C=C1)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC4=C(C=CC5=CC(=CC(=C54)S(=O)(=O)[O-])S(=O)(=O)[O-])O)C)C.[Na+].[Na+],"InChI=1S/C32H28N4O8S2.2Na/c1-4-44-25-10-8-24(9-11-25)33-34-27-12-5-21(15-19(27)2)22-6-13-28(20(3)16-22)35-36-32-29(37)14-7-23-17-26(45(38,39)40)18-30(31(23)32)46(41,42)43;;/h5-18,37H,4H2,1-3H3,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2",SLZCDQVDTBWJND-UHFFFAOYSA-L,C32H26N4Na2O8S2,704.7,704.0987447,,210,1250,0,1,12,7,48,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BISAZOBIPHENYL DYE,002429-84-7,75509,disodium;5-[[4-[4-[(2-amino-8-hydroxy-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate,C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C=CC4=CC(=CC(=C43)O)S(=O)(=O)[O-])N)N=NC5=CC(=C(C=C5)O)C(=O)[O-].[Na+].[Na+],"InChI=1S/C29H21N5O7S.2Na/c30-24-11-5-18-13-22(42(39,40)41)15-26(36)27(18)28(24)34-32-20-8-3-17(4-9-20)16-1-6-19(7-2-16)31-33-21-10-12-25(35)23(14-21)29(37)38;;/h1-15,35-36H,30H2,(H,37,38)(H,39,40,41);;/q;2*+1/p-2",YCMOBGSVZYLYBZ-UHFFFAOYSA-L,C29H19N5Na2O7S,627.5,627.0800577,,222,1070,0,3,12,5,44,,,1,0,0,1,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANAMINIUM, N-[4-[[4-(DIMETHYLAMINO)PHENYL]PHENYLMETHYLENE]-2,5-CYCLOHEXADI",018015-76-4,14513293,"bis([4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium);oxalate",CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.C(=O)(C(=O)[O-])[O-],"InChI=1S/2C23H25N2.C2H2O4/c2*1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;3-1(4)2(5)6/h2*5-17H,1-4H3;(H,3,4)(H,5,6)/q2*+1;/p-2",UJBITOVVNAWLNY-UHFFFAOYSA-L,C48H50N4O4,746.9,746.3832061,,92.8,577,0,0,6,6,56,,,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,1,0,0
MALACHITE GREEN OXALATE,002437-29-8,2724411,"bis([4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium);bis(2-hydroxy-2-oxoacetate);oxalic acid",CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O,"InChI=1S/2C23H25N2.3C2H2O4/c2*1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;3*3-1(4)2(5)6/h2*5-17H,1-4H3;3*(H,3,4)(H,5,6)/q2*+1;;;/p-2",CNYGFPPAGUCRIC-UHFFFAOYSA-L,C52H54N4O12,927,926.3738232,,242,666,0,4,14,7,68,,,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
"ETHANAMINIUM, N-[4-[BIS[4-(DIETHYLAMINO)PHENYL]METHYLENE]-2,5-CYCLOHEXADIEN-1-",065121-93-9,103225,"zinc;bis([4-[bis[4-(diethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium);tetrachloride",CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=C(C=C3)N(CC)CC.CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=C(C=C3)N(CC)CC.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2],"InChI=1S/2C31H42N3.4ClH.Zn/c2*1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6;;;;;/h2*13-24H,7-12H2,1-6H3;4*1H;/q2*+1;;;;;+2/p-4",XUWDIINZFOKJSR-UHFFFAOYSA-J,C62H84Cl4N6Zn,1120.6,1118.477349,,19,615,0,0,8,20,73,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"PIPERIDINE, 4-(DIPHENYLMETHYL)-",019841-73-7,88278,4-benzhydrylpiperidine,C1CNCCC1C(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C18H21N/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-10,17-19H,11-14H2",LUYLEMZRJQTGPM-UHFFFAOYSA-N,C18H21N,251.4,251.1673997,4,12,226,0,1,1,3,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Piperidinemethanol, alpha,alpha-diphenyl-, hydrochloride",1798-50-1,15722,diphenyl(piperidin-4-yl)methanol;hydrochloride,C1CNCCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl,"InChI=1S/C18H21NO.ClH/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17;/h1-10,17,19-20H,11-14H2;1H",LBRAWKGGVUCSOX-UHFFFAOYSA-N,C18H22ClNO,303.8,303.138992,,32.3,268,0,3,2,3,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4-Piperidinemethanol, alpha,alpha-diphenyl-",115-46-8,15723,diphenyl(piperidin-4-yl)methanol,C1CNCCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O,"InChI=1S/C18H21NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-10,17,19-20H,11-14H2",ZMISODWVFHHWNR-UHFFFAOYSA-N,C18H21NO,267.4,267.1623143,2.9,32.3,268,0,2,2,3,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Imidazole, 1-(o-chloro-alpha,alpha-diphenylbenzyl)-",023593-75-1,2812,1-[(2-chlorophenyl)-diphenylmethyl]imidazole,C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4,"InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H",VNFPBHJOKIVQEB-UHFFFAOYSA-N,C22H17ClN2,344.8,344.1080262,5,17.8,396,0,0,1,4,25,,,1,1,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,0
1-(TRIPHENYLMETHYL)IMIDAZOLE,015469-97-3,618231,1-tritylimidazole,C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=CN=C4,"InChI=1S/C22H18N2/c1-4-10-19(11-5-1)22(24-17-16-23-18-24,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H",NPZDCTUDQYGYQD-UHFFFAOYSA-N,C22H18N2,310.4,310.1469986,4.4,17.8,330,0,0,1,4,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Imidazole, 1-((2-fluorophenyl)(4-fluorophenyl)phenylmethyl)-",119006-77-8,3401,1-[(2-fluorophenyl)-(4-fluorophenyl)-phenylmethyl]imidazole,C1=CC=C(C=C1)C(C2=CC=C(C=C2)F)(C3=CC=CC=C3F)N4C=CN=C4,"InChI=1S/C22H16F2N2/c23-19-12-10-18(11-13-19)22(26-15-14-25-16-26,17-6-2-1-3-7-17)20-8-4-5-9-21(20)24/h1-16H",QHMWCHQXCUNUAK-UHFFFAOYSA-N,C22H16F2N2,346.4,346.1281548,4.6,17.8,445,0,0,3,4,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"18,19-Dinorpregn-4-en-20-yn-3-one, 17-(acetyloxy)-13-ethyl-, 3-oxime, (17-alph",035189-28-7,6540478,"[(3E,8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate",CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)OC(=O)C)CCC4=C/C(=N/O)/CC[C@H]34,"InChI=1S/C23H31NO3/c1-4-22-12-10-19-18-9-7-17(24-26)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)27-15(3)25/h2,14,18-21,26H,4,6-13H2,1,3H3/b24-17+/t18-,19+,20+,21-,22-,23-/m0/s1",KIQQMECNKUGGKA-NMYWJIRASA-N,C23H31NO3,369.5,369.2303939,4.1,58.9,744,0,1,4,4,27,,,0,1,1,1,0,1,0,1,0,0,0,0,0,1,0,0,1,0,0,0
"18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-, oxime, (8-alpha,9-bet",053016-31-2,62930,"(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol",CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=NO)CC[C@H]34,"InChI=1S/C21H29NO2/c1-3-20-11-9-17-16-8-6-15(22-24)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23-24H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1",ISHXLNHNDMZNMC-XUDSTZEESA-N,C21H29NO2,327.5,327.2198292,3.6,52.8,641,0,2,3,2,24,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Cholest-4-en-3-imine, N-hydroxy-",22033-87-0,21763506,"(NZ)-N-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydroxylamine",C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C/C(=N\O)/CC[C@]34C)C,"InChI=1S/C27H45NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25,29H,6-16H2,1-5H3/b28-21-/t19-,22+,23-,24+,25+,26+,27-/m1/s1",QNTASHOAVRSLMD-FCARAQADSA-N,C27H45NO,399.7,399.3501151,8.8,32.6,663,0,1,2,5,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-(o-chlorobenzyl)-, hydrochloride",053885-35-1,65335,"5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride",C1CN(CC2=C1SC=C2)CC3=CC=CC=C3Cl.Cl,"InChI=1S/C14H14ClNS.ClH/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14;/h1-4,6,8H,5,7,9-10H2;1H",MTKNGOHFNXIVOS-UHFFFAOYSA-N,C14H15Cl2NS,300.2,299.030226,,31.5,261,0,1,2,2,18,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-((4-chlorophenyl)methyl)-, monohydrochloride",53885-39-5,3041280,"5-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride",C1CN(CC2=C1SC=C2)CC3=CC=C(C=C3)Cl.Cl,"InChI=1S/C14H14ClNS.ClH/c15-13-3-1-11(2-4-13)9-16-7-5-14-12(10-16)6-8-17-14;/h1-4,6,8H,5,7,9-10H2;1H",JYQUHDDZMJEWDY-UHFFFAOYSA-N,C14H15Cl2NS,300.2,299.030226,,31.5,253,0,1,2,2,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Thieno(3,2-c)pyridine-5(4H)-acetic acid, 6,7-dihydro-alpha-(2-chlorophenyl)-, methyl ester,(S)-, sulfate",144077-07-6,115366,"methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;sulfuric acid",COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3.OS(=O)(=O)O,"InChI=1S/C16H16ClNO2S.H2O4S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;1-5(2,3)4/h2-5,7,9,15H,6,8,10H2,1H3;(H2,1,2,3,4)/t15-;/m0./s1",FDEODCTUSIWGLK-RSAXXLAASA-N,C16H18ClNO6S2,419.9,419.0264073,,141,463,0,2,8,4,26,,,0,0,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,1
"Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-, (3S-trans",061869-08-7,43815,"(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine",C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4,"InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1",AHOUBRCZNHFOSL-YOEHRIQHSA-N,C19H20FNO3,329.4,329.1427217,3.5,39.7,402,0,1,5,4,24,,451.7±45.0,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-, trans-(-)-, (Z)-2-butenedioate",64006-44-6,6435921,"(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine;(Z)-but-2-enedioic acid",C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C19H20FNO3.C4H4O4/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;5-3(6)1-2-4(7)8/h1-6,9,14,17,21H,7-8,10-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,17-;/m0./s1",AEIUZSKXSWGSRU-QXGDPHCHSA-N,C23H24FNO7,445.4,445.1536803,,114,521,0,3,9,6,32,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-, hydrochloride,(3S-trans)-",78246-49-8,62878,"(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine;hydrochloride",C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.Cl,"InChI=1S/C19H20FNO3.ClH/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;/h1-6,9,14,17,21H,7-8,10-12H2;1H/t14-,17-;/m0./s1",GELRVIPPMNMYGS-RVXRQPKJSA-N,C19H21ClFNO3,365.8,365.1193994,,39.7,402,0,2,5,4,25,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
"NAPHTHALENESULFONIC ACID, DIISONONYL-, LEAD(2+) SALT",063568-30-9,163011,"bis(2,3-bis(7-methyloctyl)naphthalene-1-sulfonate);lead(2+)",CC(C)CCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCC(C)C)S(=O)(=O)[O-].CC(C)CCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCC(C)C)S(=O)(=O)[O-].[Pb+2],"InChI=1S/2C28H44O3S.Pb/c2*1-22(2)15-9-5-7-11-17-24-21-25-18-13-14-20-27(25)28(32(29,30)31)26(24)19-12-8-6-10-16-23(3)4;/h2*13-14,18,20-23H,5-12,15-17,19H2,1-4H3,(H,29,30,31);/q;;+2/p-2",NVFMHDHSQAOMGB-UHFFFAOYSA-L,C56H86O6PbS2,1126,1126.56323,,131,579,0,0,6,28,65,,,0,0,1,1,0,1,0,1,0,0,1,0,0,1,0,0,0,0,1,0
ZINC DIONONYLNAPHTHALENE SULFONATE,028016-00-4,18401379,"zinc bis(2,3-di(nonyl)naphthalene-1-sulfonate)",CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)[O-].[Zn+2],"InChI=1S/2C28H44O3S.Zn/c2*1-3-5-7-9-11-13-15-19-24-23-25-20-17-18-22-27(25)28(32(29,30)31)26(24)21-16-14-12-10-8-6-4-2;/h2*17-18,20,22-23H,3-16,19,21H2,1-2H3,(H,29,30,31);/q;;+2/p-2",COGHWIKGZJHSAG-UHFFFAOYSA-L,C56H86O6S2Zn,984.8,982.515725,,131,554,0,0,6,32,65,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-DODECYL-1-(2,2,6,6-TETRAMETHYL-4-PIPERIDINYL)-2,5-PYRROLIDINEDIONE",079720-19-7,174179,"3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione",CCCCCCCCCCCCC1CC(=O)N(C1=O)C2CC(NC(C2)(C)C)(C)C,"InChI=1S/C25H46N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-20-17-22(28)27(23(20)29)21-18-24(2,3)26-25(4,5)19-21/h20-21,26H,6-19H2,1-5H3",FBIXXCXCZOZFCO-UHFFFAOYSA-N,C25H46N2O2,406.6,406.3559287,6.9,49.4,525,0,1,3,12,29,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,5-PYRROLIDINEDIONE, 3-DODECYL-1-(1,2,2,6,6-PENTAMETHYL-4-PIPERIDINYL)-",106917-30-0,86098,"3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione",CCCCCCCCCCCCC1CC(=O)N(C1=O)C2CC(N(C(C2)(C)C)C)(C)C,"InChI=1S/C26H48N2O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-18-23(29)28(24(21)30)22-19-25(2,3)27(6)26(4,5)20-22/h21-22H,7-20H2,1-6H3",SAEZGDDJKSBNPT-UHFFFAOYSA-N,C26H48N2O2,420.7,420.3715788,7.3,40.6,551,0,0,3,12,30,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,1,0
"PIPERIDINE, 1-ACETYL-4-(3-DODECYL-2,5-DIOXO-1-PYRROLIDINYL)-2,2,6,6-TETRAMETHY",106917-31-1,3034263,"1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione",CCCCCCCCCCCCC1CC(=O)N(C1=O)C2CC(N(C(C2)(C)C)C(=O)C)(C)C,"InChI=1S/C27H48N2O3/c1-7-8-9-10-11-12-13-14-15-16-17-22-18-24(31)28(25(22)32)23-19-26(3,4)29(21(2)30)27(5,6)20-23/h22-23H,7-20H2,1-6H3",VXTRPEFUPWORNH-UHFFFAOYSA-N,C27H48N2O3,448.7,448.3664934,6.8,57.7,637,0,0,3,12,32,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
15-CROWN-5,033100-27-5,36336,"1,4,7,10,13-pentaoxacyclopentadecane",C1COCCOCCOCCOCCO1,InChI=1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2,VFTFKUDGYRBSAL-UHFFFAOYSA-N,C10H20O5,220.26,220.1310737,-0.5,46.2,86,0,0,5,0,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
PERFLUORO-[15]-CROWN-5 ETHER,097571-69-2,2776038,"2,2,3,3,5,5,6,6,8,8,9,9,11,11,12,12,14,14,15,15-icosafluoro-1,4,7,10,13-pentaoxacyclopentadecane",C1(C(OC(C(OC(C(OC(C(OC(C(O1)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,"InChI=1S/C10F20O5/c11-1(12)2(13,14)32-5(19,20)6(21,22)34-9(27,28)10(29,30)35-8(25,26)7(23,24)33-4(17,18)3(15,16)31-1",CAKZCCWLOCDNJK-UHFFFAOYSA-N,C10F20O5,580.07,579.9426363,6.9,46.2,580,0,0,25,0,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-HYDROXYMETHYL-15-CROWN-5,075507-25-4,2733744,"1,4,7,10,13-pentaoxacyclopentadec-2-ylmethanol",C1COCCOCC(OCCOCCO1)CO,"InChI=1S/C11H22O6/c12-9-11-10-16-6-5-14-2-1-13-3-4-15-7-8-17-11/h11-12H,1-10H2",YHIQMMGCRYKJLB-UHFFFAOYSA-N,C11H22O6,250.29,250.1416384,-1.4,66.4,166,0,1,6,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COUMARIN 480,041267-76-9,94517,"6-methyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one",CC1=CC(=O)OC2=C1C=C3CCCN4C3=C2CCC4,"InChI=1S/C16H17NO2/c1-10-8-14(18)19-16-12-5-3-7-17-6-2-4-11(15(12)17)9-13(10)16/h8-9H,2-7H2,1H3",XHXMPURWMSJENN-UHFFFAOYSA-N,C16H17NO2,255.31,255.1259288,2.7,29.5,430,0,0,3,0,19,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COUMARIN 523,055804-68-7,72654,"4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carbonitrile",C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C#N)CCCN3C1,"InChI=1S/C16H14N2O2/c17-9-12-8-11-7-10-3-1-5-18-6-2-4-13(14(10)18)15(11)20-16(12)19/h7-8H,1-6H2",LGDDFMCJIHJNMK-UHFFFAOYSA-N,C16H14N2O2,266.29,266.1055277,2.7,53.3,518,0,0,4,0,20,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,3,6,7-TETRAHYDRO-11-OXO-1H,5H,11H-(1)BENZOPYRANO(6,7,8-ij)QUINOLIZINE-10-CARBOXYLIC ACID",055804-65-4,108770,"4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylic acid",C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C(=O)O)CCCN3C1,"InChI=1S/C16H15NO4/c18-15(19)12-8-10-7-9-3-1-5-17-6-2-4-11(13(9)17)14(10)21-16(12)20/h7-8H,1-6H2,(H,18,19)",KCDCNGXPPGQERR-UHFFFAOYSA-N,C16H15NO4,285.29,285.100108,3.1,66.8,514,0,1,5,1,21,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NITROTETRAZOLIUM BLUE CHLORIDE,038184-50-8,9281,2-[2-methoxy-4-[3-methoxy-4-[3-(4-nitrophenyl)-5-phenyltetrazol-2-ium-2-yl]phenyl]phenyl]-3-(4-nitrophenyl)-5-phenyltetrazol-2-ium dichloride,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]3=NC(=NN3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)OC)[N+]6=NC(=NN6C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8.[Cl-].[Cl-],"InChI=1S/C40H30N10O6.2ClH/c1-55-37-25-29(13-23-35(37)47-43-39(27-9-5-3-6-10-27)41-45(47)31-15-19-33(20-16-31)49(51)52)30-14-24-36(38(26-30)56-2)48-44-40(28-11-7-4-8-12-28)42-46(48)32-17-21-34(22-18-32)50(53)54;;/h3-26H,1-2H3;2*1H/q+2;;/p-2",FSVCQIDHPKZJSO-UHFFFAOYSA-L,C40H30Cl2N10O6,817.6,816.1726841,,179,1180,0,0,12,9,58,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BLUE TETRAZOLIUM,001871-22-3,9853362,"2-[4-[4-(3,5-diphenyltetrazol-2-ium-2-yl)-3-methoxyphenyl]-2-methoxyphenyl]-3,5-diphenyltetrazol-2-ium dichloride",COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]3=NC(=NN3C4=CC=CC=C4)C5=CC=CC=C5)OC)[N+]6=NC(=NN6C7=CC=CC=C7)C8=CC=CC=C8.[Cl-].[Cl-],"InChI=1S/C40H32N8O2.2ClH/c1-49-37-27-31(23-25-35(37)47-43-39(29-15-7-3-8-16-29)41-45(47)33-19-11-5-12-20-33)32-24-26-36(38(28-32)50-2)48-44-40(30-17-9-4-10-18-30)42-46(48)34-21-13-6-14-22-34;;/h3-28H,1-2H3;2*1H/q+2;;/p-2",MUUHXGOJWVMBDY-UHFFFAOYSA-L,C40H32Cl2N8O2,727.6,726.2025277,,87.6,951,0,0,8,9,52,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
(-)-COTININE,000486-56-6,854019,(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one,CN1[C@@H](CCC1=O)C2=CN=CC=C2,"InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1",UIKROCXWUNQSPJ-VIFPVBQESA-N,C10H12N2O,176.21,176.094963,-0.3,33.2,205,0,0,2,1,13,,210-211 °C at 6 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(+/-)-COTININE-D3,066269-66-7,16213423,5-pyridin-3-yl-1-(trideuteriomethyl)pyrrolidin-2-one,[2H]C([2H])([2H])N1C(CCC1=O)C2=CN=CC=C2,"InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/i1D3",UIKROCXWUNQSPJ-FIBGUPNXSA-N,C10H12N2O,179.23,179.1137932,-0.3,33.2,205,0,0,2,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIMETHYL-IQX,095896-78-9,104739,"3,4,8-trimethylimidazo[4,5-f]quinoxalin-2-amine",CC1=CC2=NC=C(N=C2C3=C1N(C(=N3)N)C)C,"InChI=1S/C12H13N5/c1-6-4-8-9(15-7(2)5-14-8)10-11(6)17(3)12(13)16-10/h4-5H,1-3H3,(H2,13,16)",LAZSIJHHPMHKQI-UHFFFAOYSA-N,C12H13N5,227.27,227.1170954,1.4,69.6,297,0,1,4,0,17,,,0,1,1,1,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
MEIQX,077500-04-0,62275,"3,8-dimethylimidazo[4,5-f]quinoxalin-2-amine",CC1=CN=C2C=CC3=C(C2=N1)N=C(N3C)N,"InChI=1S/C11H11N5/c1-6-5-13-7-3-4-8-10(9(7)14-6)15-11(12)16(8)2/h3-5H,1-2H3,(H2,12,15)",DVCCCQNKIYNAKB-UHFFFAOYSA-N,C11H11N5,213.24,213.1014454,1,69.6,271,0,1,4,0,16,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3H-Imidazo(4,5-f)quinoxalin-2-amine, 3-methyl-",108354-47-8,105041,"3-methylimidazo[4,5-f]quinoxalin-2-amine",CN1C2=C(C3=NC=CN=C3C=C2)N=C1N,"InChI=1S/C10H9N5/c1-15-7-3-2-6-8(13-5-4-12-6)9(7)14-10(15)11/h2-5H,1H3,(H2,11,14)",HKZZYGFWIFKKIR-UHFFFAOYSA-N,C10H9N5,199.21,199.0857953,0.6,69.6,246,0,1,4,0,15,,,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
NORDIHYDROGUAIARETIC ACID,000500-38-9,4534,"4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol",CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O,"InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3",HCZKYJDFEPMADG-UHFFFAOYSA-N,C18H22O4,302.4,302.1518092,4.3,80.9,303,0,4,4,5,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-DIPHENYLBUTANE",001083-56-3,66182,4-phenylbutylbenzene,C1=CC=C(C=C1)CCCCC2=CC=CC=C2,"InChI=1S/C16H18/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2",GLJFYGFBITUZOE-UHFFFAOYSA-N,C16H18,210.31,210.1408506,4,0,141,0,0,0,5,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,4-Butanediol, 2,3-bis((3-hydroxyphenyl)methyl)-, (2R,3R)-",80226-00-2,115089,"(2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol",C1=CC(=CC(=C1)O)C[C@@H](CO)[C@@H](CC2=CC(=CC=C2)O)CO,"InChI=1S/C18H22O4/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(22)10-14/h1-6,9-10,15-16,19-22H,7-8,11-12H2/t15-,16-/m0/s1",DWONJCNDULPHLV-HOTGVXAUSA-N,C18H22O4,302.4,302.1518092,2.6,80.9,279,0,4,4,7,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEMIN,016009-13-5,455658,"3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(3+);chloride",CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C)CCC(=O)O)CCC(=O)O.[Cl-].[Fe+3],"InChI=1S/C34H34N4O4.ClH.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3",BTIJJDXEELBZFS-UHFFFAOYSA-K,C34H32ClFeN4O4,651.9,651.146144,,102,1010,0,2,9,8,44,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"FERRATE(2-), [7,12-DIETHENYL-3,8,13,17-TETRAMETHYL-21H,23H-PORPHINE-2,18-DIPRO",014875-96-8,26945,"3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(2+)",CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C)CCC(=O)O)CCC(=O)O.[Fe+2],"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2",KABFMIBPWCXCRK-UHFFFAOYSA-L,C34H32FeN4O4,616.5,616.177291,,102,1010,0,2,8,8,43,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
CYTOCHROME C,009007-43-6,16057918,"3-[8,13-bis[1-[2-amino-3-(methylamino)-3-oxopropyl]sulfanylethyl]-18-(2-carboxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(2+)",CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C(C)SCC(C(=O)NC)N)C)C(C)SCC(C(=O)NC)N)C)CCC(=O)O)CCC(=O)O.[Fe+2],"InChI=1S/C42H54N8O6S2.Fe/c1-19-25(9-11-37(51)52)33-16-34-26(10-12-38(53)54)20(2)30(48-34)14-35-40(24(6)58-18-28(44)42(56)46-8)22(4)32(50-35)15-36-39(21(3)31(49-36)13-29(19)47-33)23(5)57-17-27(43)41(55)45-7;/h13-16,23-24,27-28H,9-12,17-18,43-44H2,1-8H3,(H6,45,46,47,48,49,50,51,52,53,54,55,56);/q;+2/p-2",WFVBWSTZNVJEAY-UHFFFAOYSA-L,C42H52FeN8O6S2,884.9,884.280059,,263,1420,0,6,14,16,59,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-AZABENZIMIDAZOLE,000273-21-2,67504,"1H-imidazo[4,5-b]pyridine",C1=CC2=C(N=C1)N=CN2,"InChI=1S/C6H5N3/c1-2-5-6(7-3-1)9-4-8-5/h1-4H,(H,7,8,9)",GAMYYCRTACQSBR-UHFFFAOYSA-N,C6H5N3,119.12,119.0483472,0.3,41.6,104,0,1,2,0,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3H-Imidazo(4,5-b)pyridin-2-amine",,179897,"1H-imidazo[4,5-b]pyridin-2-amine",C1=CC2=C(N=C1)N=C(N2)N,"InChI=1S/C6H6N4/c7-6-9-4-2-1-3-8-5(4)10-6/h1-3H,(H3,7,8,9,10)",KXQPVJRJUJJWQJ-UHFFFAOYSA-N,C6H6N4,134.14,134.0592462,0.4,67.6,127,0,2,3,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-IMIDAZO[4,5-B]PYRIDINE, 6-BROMO-5-METHYL-",028279-41-6,5310884,"6-bromo-5-methyl-1H-imidazo[4,5-b]pyridine",CC1=C(C=C2C(=N1)N=CN2)Br,"InChI=1S/C7H6BrN3/c1-4-5(8)2-6-7(11-4)10-3-9-6/h2-3H,1H3,(H,9,10,11)",ZZFKQUTYXXPQBS-UHFFFAOYSA-N,C7H6BrN3,212.05,210.97451,1.8,41.6,153,0,1,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-BENZYLPYRIDINE,002116-65-6,16458,4-benzylpyridine,C1=CC=C(C=C1)CC2=CC=NC=C2,"InChI=1S/C12H11N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-9H,10H2",DBOLXXRVIFGDTI-UHFFFAOYSA-N,C12H11N,169.22,169.0891494,2.6,12.9,132,0,0,1,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(P-NITROBENZYL)PYRIDINE,001083-48-3,14129,4-[(4-nitrophenyl)methyl]pyridine,C1=CC(=CC=C1CC2=CC=NC=C2)[N+](=O)[O-],"InChI=1S/C12H10N2O2/c15-14(16)12-3-1-10(2-4-12)9-11-5-7-13-8-6-11/h1-8H,9H2",MNHKUCBXXMFQDM-UHFFFAOYSA-N,C12H10N2O2,214.22,214.0742276,2.7,58.7,226,0,0,3,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 4-((4-chlorophenyl)methyl)-",11/4/09,78124,4-[(4-chlorophenyl)methyl]pyridine,C1=CC(=CC=C1CC2=CC=NC=C2)Cl,"InChI=1S/C12H10ClN/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-8H,9H2",OHKBVLWPESSWKC-UHFFFAOYSA-N,C12H10ClN,203.67,203.050177,3.5,12.9,158,0,0,1,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
18BETA-GLYCYRRHETINIC ACID,000471-53-4,10114,"(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid",C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O,"InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1",MPDGHEJMBKOTSU-YKLVYJNSSA-N,C30H46O4,470.7,470.3396099,6.4,74.6,965,0,2,4,1,34,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
CARBENOXOLONE DISODIUM,007421-40-1,636402,"disodium;(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-carboxylatopropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate",C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CCC(=O)[O-])C)(C)C(=O)[O-].[Na+].[Na+],"InChI=1S/C34H50O7.2Na/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6;;/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40);;/q;2*+1/p-2/t21-,23-,24-,27+,30+,31-,32-,33+,34+;;/m0../s1",BQENDLAVTKRQMS-SBBGFIFASA-L,C34H48Na2O7,614.7,614.3195424,,124,1190,0,0,7,4,43,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
DIBENZENESULFONIMIDE,002618-96-4,75671,N-(benzenesulfonyl)benzenesulfonamide,C1=CC=C(C=C1)S(=O)(=O)NS(=O)(=O)C2=CC=CC=C2,"InChI=1S/C12H11NO4S2/c14-18(15,11-7-3-1-4-8-11)13-19(16,17)12-9-5-2-6-10-12/h1-10,13H",OVQABVAKPIYHIG-UHFFFAOYSA-N,C12H11NO4S2,297.4,297.0129502,0.5,97.1,429,0,1,5,4,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-FLUOROBENZENESULFONIMIDE,133745-75-2,588007,N-(benzenesulfonyl)-N-fluorobenzenesulfonamide,C1=CC=C(C=C1)S(=O)(=O)N(F)S(=O)(=O)C2=CC=CC=C2,"InChI=1S/C12H10FNO4S2/c13-14(19(15,16)11-7-3-1-4-8-11)20(17,18)12-9-5-2-6-10-12/h1-10H",RLKHFSNWQCZBDC-UHFFFAOYSA-N,C12H10FNO4S2,315.3,315.0035283,2.6,88.3,461,0,0,6,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONAMIDE, 4-METHYL-N-[(4-METHYLPHENYL)SULFONYL]-",003695-00-9,77279,4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide,CC1=CC=C(C=C1)S(=O)(=O)NS(=O)(=O)C2=CC=C(C=C2)C,"InChI=1S/C14H15NO4S2/c1-11-3-7-13(8-4-11)20(16,17)15-21(18,19)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3",LHWZLUXODWUHLZ-UHFFFAOYSA-N,C14H15NO4S2,325.4,325.0442503,1.2,97.1,479,0,1,5,4,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ALOIN,008015-61-0,9866696,"1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one",C1=CC2=C(C(=C1)O)C(=O)C3=C(C2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C(C=C3O)CO,"InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14?,17-,19+,20-,21+/m1/s1",AFHJQYHRLPMKHU-CGISPIQUSA-N,C21H22O9,418.4,418.1263823,-0.1,168,630,0,7,9,3,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9(10H)-Anthracenone, 10-beta-D-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-, (10R)-",28371-16-6,14989,"(10R)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one",C1=CC2=C(C(=C1)O)C(=O)C3=C([C@@H]2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C(C=C3O)CO,"InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14-,17-,19+,20-,21+/m1/s1",AFHJQYHRLPMKHU-WEZNYRQKSA-N,C21H22O9,418.4,418.1263823,-0.1,168,630,0,7,9,3,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ALOIN,001415-73-2,12305761,"(10S)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one",C1=CC2=C(C(=C1)O)C(=O)C3=C([C@H]2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C(C=C3O)CO,"InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14+,17-,19+,20-,21+/m1/s1",AFHJQYHRLPMKHU-OSYMLPPYSA-N,C21H22O9,418.4,418.1263823,-0.1,168,630,0,7,9,3,30,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1(2H)-PHTHALAZINONE,000119-39-1,8394,2H-phthalazin-1-one,C1=CC=C2C(=C1)C=NNC2=O,"InChI=1S/C8H6N2O/c11-8-7-4-2-1-3-6(7)5-9-10-8/h1-5H,(H,10,11)",IJAPPYDYQCXOEF-UHFFFAOYSA-N,C8H6N2O,146.15,146.0480128,0.8,41.5,200,0,1,2,0,11,,"639 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1(2H)-Phthalazinone, 4-methyl-8-nitro-",16676-79-2,204610,4-methyl-8-nitro-2H-phthalazin-1-one,CC1=NNC(=O)C2=C1C=CC=C2[N+](=O)[O-],"InChI=1S/C9H7N3O3/c1-5-6-3-2-4-7(12(14)15)8(6)9(13)11-10-5/h2-4H,1H3,(H,11,13)",HDAONGFMJJTPQU-UHFFFAOYSA-N,C9H7N3O3,205.17,205.0487411,0.8,87.3,334,0,1,4,0,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1(2H)-Phthalazinone, 8-amino-4-methyl-",16676-82-7,204613,8-amino-4-methyl-2H-phthalazin-1-one,CC1=NNC(=O)C2=C1C=CC=C2N,"InChI=1S/C9H9N3O/c1-5-6-3-2-4-7(10)8(6)9(13)12-11-5/h2-4H,10H2,1H3,(H,12,13)",SHTYMTTVPPPKDI-UHFFFAOYSA-N,C9H9N3O,175.19,175.0745619,0.9,67.5,262,0,2,3,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-BENZOTHIAZOLOL,000934-34-9,13625,"3H-1,3-benzothiazol-2-one",C1=CC=C2C(=C1)NC(=O)S2,"InChI=1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)",YEDUAINPPJYDJZ-UHFFFAOYSA-N,C7H5NOS,151.19,151.009185,1.8,54.4,160,0,1,2,0,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, (4-chloro-2-oxobenzothiazol-3-yl)-",5/6/13,19662,"2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid",C1=CC2=C(C(=C1)Cl)N(C(=O)S2)CC(=O)O,"InChI=1S/C9H6ClNO3S/c10-5-2-1-3-6-8(5)11(4-7(12)13)9(14)15-6/h1-3H,4H2,(H,12,13)",HYJSGOXICXYZGS-UHFFFAOYSA-N,C9H6ClNO3S,243.67,242.9756919,2.1,82.9,299,0,1,4,2,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"3(2H)-Benzothiazoleacetic acid, 4-chloro-2-oxo-, ethyl ester",25059-80-7,3034351,"ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate",CCOC(=O)CN1C2=C(C=CC=C2Cl)SC1=O,"InChI=1S/C11H10ClNO3S/c1-2-16-9(14)6-13-10-7(12)4-3-5-8(10)17-11(13)15/h3-5H,2,6H2,1H3",WQRCEBAZAUAUQC-UHFFFAOYSA-N,C11H10ClNO3S,271.72,271.006992,2.8,71.9,326,0,0,4,4,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Isoxazolidinone, 4-amino-, (+-)-",68-39-3,401,"4-amino-1,2-oxazolidin-3-one",C1C(C(=O)NO1)N,"InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)",DYDCUQKUCUHJBH-UHFFFAOYSA-N,C3H6N2O2,102.09,102.0429274,-1.5,64.4,92,0,2,3,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Isoxazolidinone, 4-amino-, (L)-",339-72-0,449215,"(4S)-4-amino-1,2-oxazolidin-3-one",C1[C@@H](C(=O)NO1)N,"InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m0/s1",DYDCUQKUCUHJBH-REOHCLBHSA-N,C3H6N2O2,102.09,102.0429274,-1.5,64.4,92,0,2,3,0,7,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GUAIAZULENE,000489-84-9,3515,"1,4-dimethyl-7-propan-2-ylazulene",CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C,"InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3",FWKQNCXZGNBPFD-UHFFFAOYSA-N,C15H18,198.3,198.1408506,4.8,0,206,0,0,0,1,15,,152.00 to 154.00 °C. @ 7.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"COPPER, BIS(8-QUINOLINOLATO-N1,O8)-",010380-28-6,3032555,copper bis(quinolin-8-olate),C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.[Cu+2],"InChI=1S/2C9H7NO.Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2",YXLXNENXOJSQEI-UHFFFAOYSA-L,C18H12CuN2O2,351.8,351.019475,,71.9,138,0,0,4,0,23,Flash Point > 200 °C,,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"7,10-DIMETHYLBENZ[C]ACRIDINE",002381-40-0,16936,"7,10-dimethylbenzo[c]acridine",CC1=CC2=NC3=C(C=CC4=CC=CC=C43)C(=C2C=C1)C,"InChI=1S/C19H15N/c1-12-7-9-15-13(2)16-10-8-14-5-3-4-6-17(14)19(16)20-18(15)11-12/h3-11H,1-2H3",RCWNHXIFXQTICS-UHFFFAOYSA-N,C19H15N,257.3,257.1204495,5.5,12.9,352,0,0,1,0,20,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZ[C]ACRIDINE,000225-51-4,9181,benzo[c]acridine,C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4N=C32,InChI=1S/C17H11N/c1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)18-17(14)15/h1-11H,OAPPEBNXKAKQGS-UHFFFAOYSA-N,C17H11N,229.27,229.0891494,4.8,12.9,300,0,0,1,0,18,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4(1H,3H)-PYRIMIDINEDITHIONE, 6-METHYL-",006308-38-9,816944,"6-methyl-1H-pyrimidine-2,4-dithione",CC1=CC(=S)NC(=S)N1,"InChI=1S/C5H6N2S2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)",CQOAJLIZQSKDFC-UHFFFAOYSA-N,C5H6N2S2,158.2,157.9972406,0.4,88.2,195,0,2,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DITHIOTHYMINE,006217-61-4,3034173,"5-methyl-1H-pyrimidine-2,4-dithione",CC1=CNC(=S)NC1=S,"InChI=1S/C5H6N2S2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)",KQRLVMSUOWYRHL-UHFFFAOYSA-N,C5H6N2S2,158.2,157.9972406,0.6,88.2,195,0,2,2,0,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CANNABIDIOL,013956-29-1,644019,"2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol",CCCCCC1=CC(=C(C(=C1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O,"InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1",QHMBSVQNZZTUGM-ZWKOTPCHSA-N,C21H30O2,314.5,314.2245802,6.5,40.5,414,0,2,2,6,23,,,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Benzoic acid, 2,4-dihydroxy-3-((1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-6-pentyl-",1244-58-2,160570,"2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylbenzoic acid",CCCCCC1=CC(=C(C(=C1C(=O)O)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O,"InChI=1S/C22H30O4/c1-5-6-7-8-15-12-18(23)20(21(24)19(15)22(25)26)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,23-24H,2,5-10H2,1,3-4H3,(H,25,26)/t16-,17+/m0/s1",WVOLTBSCXRRQFR-DLBZAZTESA-N,C22H30O4,358.5,358.2144094,6.6,77.8,538,0,3,4,7,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1,3-Benzenediol, 2-((1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-5-propyl-",24274-48-4,11601669,"2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol",CCCC1=CC(=C(C(=C1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O,"InChI=1S/C19H26O2/c1-5-6-14-10-17(20)19(18(21)11-14)16-9-13(4)7-8-15(16)12(2)3/h9-11,15-16,20-21H,2,5-8H2,1,3-4H3/t15-,16+/m0/s1",REOZWEGFPHTFEI-JKSUJKDBSA-N,C19H26O2,286.4,286.1932801,5.4,40.5,386,0,2,2,4,21,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-BIS(3-AMINOPHENOXY)BENZENE",010526-07-5,66342,3-[3-(3-aminophenoxy)phenoxy]aniline,C1=CC(=CC(=C1)OC2=CC(=CC=C2)OC3=CC=CC(=C3)N)N,"InChI=1S/C18H16N2O2/c19-13-4-1-6-15(10-13)21-17-8-3-9-18(12-17)22-16-7-2-5-14(20)11-16/h1-12H,19-20H2",DKKYOQYISDAQER-UHFFFAOYSA-N,C18H16N2O2,292.3,292.1211778,3.6,70.5,309,0,2,4,4,22,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Aniline, p,p'-(m-phenylenedioxy)di-",2479-46-1,17201,4-[3-(4-aminophenoxy)phenoxy]aniline,C1=CC(=CC(=C1)OC2=CC=C(C=C2)N)OC3=CC=C(C=C3)N,"InChI=1S/C18H16N2O2/c19-13-4-8-15(9-5-13)21-17-2-1-3-18(12-17)22-16-10-6-14(20)7-11-16/h1-12H,19-20H2",WUPRYUDHUFLKFL-UHFFFAOYSA-N,C18H16N2O2,292.3,292.1211778,2.9,70.5,293,0,2,4,4,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, 1,3-bis(4-nitrophenoxy)-",13118-94-0,3106068,"1,3-bis(4-nitrophenoxy)benzene",C1=CC(=CC(=C1)OC2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)[N+](=O)[O-],InChI=1S/C18H12N2O6/c21-19(22)13-4-8-15(9-5-13)25-17-2-1-3-18(12-17)26-16-10-6-14(7-11-16)20(23)24/h1-12H,GGQPNVUCTKRSFS-UHFFFAOYSA-N,C18H12N2O6,352.3,352.0695361,5.2,110,433,0,0,6,4,26,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-PHENOXYACETOPHENONE,000721-04-0,222171,2-phenoxy-1-phenylethanone,C1=CC=C(C=C1)C(=O)COC2=CC=CC=C2,"InChI=1S/C14H12O2/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13/h1-10H,11H2",KRSXGTAVHIDVPM-UHFFFAOYSA-N,C14H12O2,212.24,212.0837296,2.7,26.3,213,0,0,2,4,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanone, 1-(2,4-dihydroxyphenyl)-2-(4-nitrophenoxy)-",137987-89-4,886419,"1-(2,4-dihydroxyphenyl)-2-(4-nitrophenoxy)ethanone",C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)C2=C(C=C(C=C2)O)O,"InChI=1S/C14H11NO6/c16-10-3-6-12(13(17)7-10)14(18)8-21-11-4-1-9(2-5-11)15(19)20/h1-7,16-17H,8H2",LXRDYFUDWUKCMP-UHFFFAOYSA-N,C14H11NO6,289.24,289.0586371,3,113,374,0,2,6,4,21,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 4-(2-(2,4-dihydroxyphenyl)-2-oxoethoxy)-, methyl ester",137987-92-9,666890,"methyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate",COC(=O)C1=CC=C(C=C1)OCC(=O)C2=C(C=C(C=C2)O)O,"InChI=1S/C16H14O6/c1-21-16(20)10-2-5-12(6-3-10)22-9-15(19)13-7-4-11(17)8-14(13)18/h2-8,17-18H,9H2,1H3",ILFLFDSLJRPWIW-UHFFFAOYSA-N,C16H14O6,302.28,302.0790382,3,93.1,388,0,2,6,6,22,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"POLY(OXY-1,4-PHENYLENESULFONYL-1,4-PHENYLENE",025667-42-9,296004,"1,2-bis(2,5-dichlorophenyl)hydrazine",C1=CC(=C(C=C1Cl)NNC2=C(C=CC(=C2)Cl)Cl)Cl,"InChI=1S/C12H8Cl4N2/c13-7-1-3-9(15)11(5-7)17-18-12-6-8(14)2-4-10(12)16/h1-6,17-18H",DNZMYLLBWKOXQJ-UHFFFAOYSA-N,C12H8Cl4N2,322,321.941209,6.3,24.1,240,0,2,2,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-DIPHENYLHYDRAZINE",000122-66-7,31222,"1,2-diphenylhydrazine",C1=CC=C(C=C1)NNC2=CC=CC=C2,"InChI=1S/C12H12N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10,13-14H",YBQZXXMEJHZYMB-UHFFFAOYSA-N,C12H12N2,184.24,184.1000484,2.9,24.1,128,0,2,2,3,14,,"Decomposes (NTP, 1992)",1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Malonic acid, butyl-, mono(1,2-diphenylhydrazide)",3583-64-0,19161,2-[anilino(phenyl)carbamoyl]hexanoic acid,CCCCC(C(=O)N(C1=CC=CC=C1)NC2=CC=CC=C2)C(=O)O,"InChI=1S/C19H22N2O3/c1-2-3-14-17(19(23)24)18(22)21(16-12-8-5-9-13-16)20-15-10-6-4-7-11-15/h4-13,17,20H,2-3,14H2,1H3,(H,23,24)",FLWFHHFTIRLFPV-UHFFFAOYSA-N,C19H22N2O3,326.4,326.1630426,4.9,69.6,401,0,2,4,8,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRAPHENYLPHOSPHONIUM IODIDE,002065-67-0,2724164,tetraphenylphosphanium iodide,C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-],"InChI=1S/C24H20P.HI/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H/q+1;/p-1",AEFPPQGZJFTXDR-UHFFFAOYSA-M,C24H20IP,466.3,466.03474,,0,301,0,0,1,4,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAPHENYLPHOSPHONIUM BROMIDE,002751-90-8,2724163,tetraphenylphosphanium bromide,C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-],"InChI=1S/C24H20P.BrH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H/q+1;/p-1",BRKFQVAOMSWFDU-UHFFFAOYSA-M,C24H20BrP,419.3,418.0486,,0,301,0,0,1,4,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAPHENYLPHOSPHONIUM CHLORIDE,002001-45-8,164911,tetraphenylphosphanium chloride,C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-],"InChI=1S/C24H20P.ClH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H/q+1;/p-1",WAGFXJQAIZNSEQ-UHFFFAOYSA-M,C24H20ClP,374.8,374.0991153,,0,301,0,0,1,4,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-AZATHYMINE,000932-53-6,70269,"6-methyl-2H-1,2,4-triazine-3,5-dione",CC1=NNC(=O)NC1=O,"InChI=1S/C4H5N3O2/c1-2-3(8)5-4(9)7-6-2/h1H3,(H2,5,7,8,9)",XZWMZFQOHTWGQE-UHFFFAOYSA-N,C4H5N3O2,127.1,127.0381764,-0.3,70.6,196,0,2,3,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-AZAURACIL,000461-89-2,68037,"2H-1,2,4-triazine-3,5-dione",C1=NNC(=O)NC1=O,"InChI=1S/C3H3N3O2/c7-2-1-4-6-3(8)5-2/h1H,(H2,5,6,7,8)",SSPYSWLZOPCOLO-UHFFFAOYSA-N,C3H3N3O2,113.08,113.0225263,-0.6,70.6,162,0,2,3,0,8,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"as-Triazine-3,5(2H,4H)-dione, 6-bromo-",5/2/56,151240,"6-bromo-2H-1,2,4-triazine-3,5-dione",C1(=O)C(=NNC(=O)N1)Br,"InChI=1S/C3H2BrN3O2/c4-1-2(8)5-3(9)7-6-1/h(H2,5,7,8,9)",VNTFEWXYAOATFA-UHFFFAOYSA-N,C3H2BrN3O2,191.97,190.93304,0.9,70.6,199,0,2,3,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AJMALICINE,000483-04-5,441975,"methyl (1S,15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate",C[C@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45,"InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16+,19-/m0/s1",GRTOGORTSDXSFK-XJTZBENFSA-N,C21H24N2O3,352.4,352.1786926,2.7,54.6,606,0,1,4,2,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ajmalicine, hydrochloride",4373-34-6,168978,"methyl (1S,15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;hydrochloride",C[C@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45.Cl,"InChI=1S/C21H24N2O3.ClH/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2;/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3;1H/t12-,15-,16+,19-;/m0./s1",YWPZOTNKHMBWPD-QAWKRFFXSA-N,C21H25ClN2O3,388.9,388.1553704,,54.6,606,0,2,4,2,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19-alpha,20-alpha)-",6474-90-4,72340,"methyl (1S,15S,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate",C[C@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45,"InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16-,19-/m0/s1",GRTOGORTSDXSFK-DLLGKBFGSA-N,C21H24N2O3,352.4,352.1786926,2.7,54.6,606,0,1,4,2,26,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4-DIHYDROXY-2H-1,4-BENZOXAZIN-3(4H)-ONE",017359-54-5,28495,"2,4-dihydroxy-1,4-benzoxazin-3-one",C1=CC=C2C(=C1)N(C(=O)C(O2)O)O,"InChI=1S/C8H7NO4/c10-7-8(11)13-6-4-2-1-3-5(6)9(7)12/h1-4,8,11-12H",COVOPZQGJGUPEY-UHFFFAOYSA-N,C8H7NO4,181.15,181.0375077,0,70,220,0,2,4,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1,4-Benzoxazin-3(4H)-one",5466-88-6,72757,"4H-1,4-benzoxazin-3-one",C1C(=O)NC2=CC=CC=C2O1,"InChI=1S/C8H7NO2/c10-8-5-11-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10)",QRCGFTXRXYMJOS-UHFFFAOYSA-N,C8H7NO2,149.15,149.0476785,0.9,38.3,169,0,1,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-2-methyl-",5791-00-4,22035,"6-chloro-2-methyl-4H-1,4-benzoxazin-3-one",CC1C(=O)NC2=C(O1)C=CC(=C2)Cl,"InChI=1S/C9H8ClNO2/c1-5-9(12)11-7-4-6(10)2-3-8(7)13-5/h2-5H,1H3,(H,11,12)",MGOCBXKZDZRPMK-UHFFFAOYSA-N,C9H8ClNO2,197.62,197.0243562,1.9,38.3,222,0,1,2,0,13,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 4-benzamido-",5221-44-3,78893,N-pyridin-4-ylbenzamide,C1=CC=C(C=C1)C(=O)NC2=CC=NC=C2,"InChI=1S/C12H10N2O/c15-12(10-4-2-1-3-5-10)14-11-6-8-13-9-7-11/h1-9H,(H,13,14,15)",PNWVOLKZHJEWQU-UHFFFAOYSA-N,C12H10N2O,198.22,198.0793129,1.6,42,206,0,1,2,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 4-(p-methylbenzamido)-",14547-74-1,84517,4-methyl-N-pyridin-4-ylbenzamide,CC1=CC=C(C=C1)C(=O)NC2=CC=NC=C2,"InChI=1S/C13H12N2O/c1-10-2-4-11(5-3-10)13(16)15-12-6-8-14-9-7-12/h2-9H,1H3,(H,14,15,16)",GCFLVEVTCIKTNM-UHFFFAOYSA-N,C13H12N2O,212.25,212.094963,2.1,42,228,0,1,2,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
2-CHLORO-5-NITRO-N-4-PYRIDINYLBENZAMIDE,313516-66-4,2777391,2-chloro-5-nitro-N-pyridin-4-ylbenzamide,C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=NC=C2)Cl,"InChI=1S/C12H8ClN3O3/c13-11-2-1-9(16(18)19)7-10(11)12(17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15,17)",FRPJSHKMZHWJBE-UHFFFAOYSA-N,C12H8ClN3O3,277.66,277.0254188,2.3,87.8,342,0,1,4,2,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 3-(((4,5-dihydro-1H-imidazol-2-yl)methyl)(4-methylphenyl)amino)-",000050-60-2,5775,"3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol",CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(=CC=C3)O,"InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)",MRBDMNSDAVCSSF-UHFFFAOYSA-N,C17H19N3O,281.35,281.1528122,2.6,47.9,363,0,2,3,4,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Phenol, m-(N-(2-imidazolin-2-ylmethyl)-p-toluidino)-, monomethanesulfonate (sa",000065-28-1,91430,"3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol;methanesulfonic acid",CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(=CC=C3)O.CS(=O)(=O)O,"InChI=1S/C17H19N3O.CH4O3S/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15;1-5(2,3)4/h2-8,11,21H,9-10,12H2,1H3,(H,18,19);1H3,(H,2,3,4)",OGIYDFVHFQEFKQ-UHFFFAOYSA-N,C18H23N3O4S,377.5,377.1409274,,111,456,0,3,6,4,26,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 3-(((4,5-dihydro-1H-imidazol-2-yl)methyl)(4-methylphenyl)amino)-, monohydrochloride",73-05-2,5702144,"3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol;hydrochloride",CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(=CC=C3)O.Cl,"InChI=1S/C17H19N3O.ClH/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15;/h2-8,11,21H,9-10,12H2,1H3,(H,18,19);1H",TUEJFGFQYKDAPM-UHFFFAOYSA-N,C17H20ClN3O,317.8,317.12949,,47.9,363,0,3,3,4,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ibogaine, monohydrochloride",5934-55-4,197059,"(1R,15R,17S,18S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene;hydrochloride",CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC.Cl,"InChI=1S/C20H26N2O.ClH/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19;/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3;1H/t12-,13+,17+,20+;/m1./s1",IKJFDJLQPHDRTD-ISYVNWANSA-N,C20H27ClN2O,346.9,346.1811912,,28.3,455,0,2,2,2,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1(2H)-QUINOLINECARBOXYLIC ACID, 2-ETHOXY-, ETHYL ESTER",016357-59-8,27833,ethyl 2-ethoxy-2H-quinoline-1-carboxylate,CCOC1C=CC2=CC=CC=C2N1C(=O)OCC,"InChI=1S/C14H17NO3/c1-3-17-13-10-9-11-7-5-6-8-12(11)15(13)14(16)18-4-2/h5-10,13H,3-4H2,1-2H3",GKQLYSROISKDLL-UHFFFAOYSA-N,C14H17NO3,247.29,247.1208434,2.8,38.8,316,0,0,3,4,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1-BENZOPYRAN-2-ONE, 3,4-DIHYDRO-",000119-84-6,660,"3,4-dihydrochromen-2-one",C1CC(=O)OC2=CC=CC=C21,"InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2",VMUXSMXIQBNMGZ-UHFFFAOYSA-N,C9H8O2,148.16,148.0524295,1.6,26.3,165,0,0,2,0,11,"266 °F (NTP, 1992)","522 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2H-1-BENZOPYRAN-2-ONE, 3,4-DIHYDRO-6-HYDROXY-",002669-94-5,64809,"6-hydroxy-3,4-dihydrochromen-2-one",C1CC(=O)OC2=C1C=C(C=C2)O,"InChI=1S/C9H8O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h2-3,5,10H,1,4H2",ZCNZNVIRVHJXKV-UHFFFAOYSA-N,C9H8O3,164.16,164.0473441,1.3,46.5,190,0,1,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propylamine, N,N-dimethyl-3-(dibenzo(b,e)thiepin-delta-sup(11(6H),gamma))-",000113-53-1,3155,"3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine",CN(C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31,"InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3",PHTUQLWOUWZIMZ-UHFFFAOYSA-N,C19H21NS,295.4,295.1394709,4.5,28.5,363,0,0,2,3,21,,171-172 °C,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
5-(MORPHOLINOMETHYL)-2[(5-NITROFURFURYLIDENE)AMINO]-2-OXALIDINONE,000139-91-3,9553856,"5-(morpholin-4-ylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one",C1COCCN1CC2CN(C(=O)O2)/N=C/C3=CC=C(O3)[N+](=O)[O-],"InChI=1S/C13H16N4O6/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15/h1-2,7,11H,3-6,8-9H2/b14-7+",YVQVOQKFMFRVGR-VGOFMYFVSA-N,C13H16N4O6,324.29,324.1069842,0.8,113,476,0,0,8,4,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
5-(Morpholinomethyl)-3-[(5-nitrofurfurylidene)-amino]-2-oxazolidinone,003795-88-8,9579050,"(5S)-5-(morpholin-4-ylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one",C1COCCN1C[C@H]2CN(C(=O)O2)/N=C/C3=CC=C(O3)[N+](=O)[O-],"InChI=1S/C13H16N4O6/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15/h1-2,7,11H,3-6,8-9H2/b14-7+/t11-/m0/s1",YVQVOQKFMFRVGR-NGPAHMQLSA-N,C13H16N4O6,324.29,324.1069842,0.8,113,476,0,0,8,4,23,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Oxazolidinone, 5-(morpholinomethyl)-3-((5-nitrofurfurylidene)amino)-, L-,monohydrochloride",3031-51-4,9576185,"5-(morpholin-4-ylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one;hydrochloride",C1COCCN1CC2CN(C(=O)O2)/N=C/C3=CC=C(O3)[N+](=O)[O-].Cl,"InChI=1S/C13H16N4O6.ClH/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15;/h1-2,7,11H,3-6,8-9H2;1H/b14-7+;",PPSVFZXMDMUIGB-FJUODKGNSA-N,C13H17ClN4O6,360.75,360.083662,,113,476,0,1,8,4,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl",064024-15-3,441277,"(1R,9R,13R)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride",C[C@H]1[C@H]2CC3=C([C@@]1(CCN2CC=C(C)C)C)C=C(C=C3)O.Cl,"InChI=1S/C19H27NO.ClH/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19;/h5-7,12,14,18,21H,8-11H2,1-4H3;1H/t14-,18+,19+;/m0./s1",OQGYMIIFOSJQSF-DTOXXUQYSA-N,C19H28ClNO,321.9,321.1859422,,23.5,414,0,2,2,2,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-",16808-63-2,1208,"1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol",CC1C2CC3=C(C1(CCN2)C)C=C(C=C3)O,"InChI=1S/C14H19NO/c1-9-13-7-10-3-4-11(16)8-12(10)14(9,2)5-6-15-13/h3-4,8-9,13,15-16H,5-7H2,1-2H3",DXESFJJJWBHLJX-UHFFFAOYSA-N,C14H19NO,217.31,217.1466642,1.3,32.3,280,0,2,2,0,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PENTAZOCINE,000359-83-1,441278,"(1R,9R,13R)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol",C[C@H]1[C@H]2CC3=C([C@@]1(CCN2CC=C(C)C)C)C=C(C=C3)O,"InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1",VOKSWYLNZZRQPF-GDIGMMSISA-N,C19H27NO,285.4,285.2092645,3.3,23.5,414,0,1,2,2,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TROPOLONE,000533-75-5,10789,"2-hydroxycyclohepta-2,4,6-trien-1-one",C1=CC=C(C(=O)C=C1)O,"InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)",MDYOLVRUBBJPFM-UHFFFAOYSA-N,C7H6O2,122.12,122.0367794,0.5,37.3,209,0,1,2,0,9,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"2,4,6-Cycloheptatrien-1-one, 2-chloro-",3839-48-3,19691,"2-chlorocyclohepta-2,4,6-trien-1-one",C1=CC=C(C(=O)C=C1)Cl,InChI=1S/C7H5ClO/c8-6-4-2-1-3-5-7(6)9/h1-5H,MTHNMAUDCHXFMM-UHFFFAOYSA-N,C7H5ClO,140.56,140.0028925,1.5,17.1,211,0,0,1,0,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,1,1,0,0
"Pyridine, 2-(3-(1-pyrrolidinyl)-1-p-tolylpropenyl)-, monohydrochloride, monohydrate,stereoisomer",6138-79-0,5284472,2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine;hydrate;hydrochloride,CC1=CC=C(C=C1)/C(=C\CN2CCCC2)/C3=CC=CC=N3.O.Cl,"InChI=1S/C19H22N2.ClH.H2O/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21;;/h2-3,6-12H,4-5,13-15H2,1H3;1H;1H2/b18-11+;;",CUZMOIXUFHOLLN-UMVVUDSKSA-N,C19H25ClN2O,332.9,332.1655411,,17.1,335,0,2,3,4,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propenoic acid, 3-(6-((1E)-1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl)-2-pyridinyl)-, (2E)-",87848-99-5,5284514,(E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-2-enoic acid,CC1=CC=C(C=C1)/C(=C\CN2CCCC2)/C3=CC=CC(=N3)/C=C/C(=O)O,"InChI=1S/C22H24N2O2/c1-17-7-9-18(10-8-17)20(13-16-24-14-2-3-15-24)21-6-4-5-19(23-21)11-12-22(25)26/h4-13H,2-3,14-16H2,1H3,(H,25,26)/b12-11+,20-13+",PWACSDKDOHSSQD-IUTFFREVSA-N,C22H24N2O2,348.4,348.183778,1.6,53.4,514,0,1,4,6,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PYRIDINE, 2-[1-(4-METHYLPHENYL)-3-(1-PYRROLIDINYL)-1-PROPENYL]-, MONOHYDROCHLO",000550-70-9,5702129,2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine;hydrochloride,CC1=CC=C(C=C1)/C(=C\CN2CCCC2)/C3=CC=CC=N3.Cl,"InChI=1S/C19H22N2.ClH/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21;/h2-3,6-12H,4-5,13-15H2,1H3;1H/b18-11+;",WYUYEJNGHIOFOC-NWBUNABESA-N,C19H23ClN2,314.9,314.1549764,,16.1,335,0,1,2,4,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1(3H)-ISOBENZOFURANONE, 3-BUTYLIDENE-",000551-08-6,5352899,(3E)-3-butylidene-2-benzofuran-1-one,CCC/C=C/1\C2=CC=CC=C2C(=O)O1,"InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8+",WMBOCUXXNSOQHM-DHZHZOJOSA-N,C12H12O2,188.22,188.0837296,3.2,26.3,255,0,0,2,2,14,,319.00 to 321.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1(3H)-ISOBENZOFURANONE, 3-PROPYLIDENE-",017369-59-4,28500,3-propylidene-2-benzofuran-1-one,CCC=C1C2=CC=CC=C2C(=O)O1,"InChI=1S/C11H10O2/c1-2-5-10-8-6-3-4-7-9(8)11(12)13-10/h3-7H,2H2,1H3",NGSZDVVHIGAMOJ-UHFFFAOYSA-N,C11H10O2,174.2,174.0680796,2.6,26.3,242,0,0,2,1,13,"greater than 200 °F (NTP, 1992)","343 to 347 °F at 15 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,5-DIPHENYL-1,3,4-OXADIAZOLE",000725-12-2,12888,"2,5-diphenyl-1,3,4-oxadiazole",C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3,InChI=1S/C14H10N2O/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12/h1-10H,DCJKUXYSYJBBRD-UHFFFAOYSA-N,C14H10N2O,222.24,222.0793129,3.1,38.9,210,0,0,3,2,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,4-Oxadiazole, 2,5-bis(p-nitrophenyl)-",1044-49-1,13971,"2,5-bis(4-nitrophenyl)-1,3,4-oxadiazole",C1=CC(=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C14H8N4O5/c19-17(20)11-5-1-9(2-6-11)13-15-16-14(23-13)10-3-7-12(8-4-10)18(21)22/h1-8H,NXVIYWNQRSLRGX-UHFFFAOYSA-N,C14H8N4O5,312.24,312.0494694,2.7,131,395,0,0,7,2,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,5-TRIAZIN-2(1H)-ONE, 4,6-BIS(ETHYLAMINO)-",002599-11-3,135408659,"4,6-bis(ethylamino)-1H-1,3,5-triazin-2-one",CCNC1=NC(=NC(=O)N1)NCC,"InChI=1S/C7H13N5O/c1-3-8-5-10-6(9-4-2)12-7(13)11-5/h3-4H2,1-2H3,(H3,8,9,10,11,12,13)",YQIXRXMOJFQVBV-UHFFFAOYSA-N,C7H13N5O,183.21,183.1120101,-0.3,77.9,258,0,3,1,4,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,5-Triazin-2(1H)-one, 4-amino-",931-86-2,19956,"6-amino-1H-1,3,5-triazin-2-one",C1=NC(=O)NC(=N1)N,"InChI=1S/C3H4N4O/c4-2-5-1-6-3(8)7-2/h1H,(H3,4,5,6,7,8)",MFEFTTYGMZOIKO-UHFFFAOYSA-N,C3H4N4O,112.09,112.0385108,-1.2,79.8,170,0,2,1,0,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOTHIAZOLIUM, 3-ETHYL-2-[3-(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)-2-METHYL-1-P",003065-79-0,6364517,"(2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole iodide",CCN\1C2=CC=CC=C2S/C1=C\C(=C\C3=[N+](C4=CC=CC=C4S3)CC)\C.[I-],"InChI=1S/C22H23N2S2.HI/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1",SAEMBGFHGROQJZ-UHFFFAOYSA-M,C22H23IN2S2,506.5,506.03474,,60.7,511,0,0,4,4,27,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
LC 6250,000905-97-5,5709759,"(2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide",CCN\1C2=CC=CC=C2S/C1=C\C=C\C3=[N+](C4=CC=CC=C4S3)CC.[I-],"InChI=1S/C21H21N2S2.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1",VZBILKJHDPEENF-UHFFFAOYSA-M,C21H21IN2S2,492.4,492.01909,,60.7,474,0,0,4,4,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3'-DIPROPYLTHIACARBOCYANINE IODIDE",053336-12-2,57369736,"3-propyl-2-[3-(3-propyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide",CCCN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=CC=CC=C4S3)CCC.[I-],"InChI=1S/C23H25N2S2.HI/c1-3-16-24-18-10-5-7-12-20(18)26-22(24)14-9-15-23-25(17-4-2)19-11-6-8-13-21(19)27-23;/h5-15H,3-4,16-17H2,1-2H3;1H/q+1;/p-1",JGTCEHAVVINOPG-UHFFFAOYSA-M,C23H25IN2S2,520.5,520.05039,,60.7,500,0,0,4,6,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-HYDROXY-, [(2-HYDROXYPHENYL)METHYLENE]HYDRAZIDE",003232-36-8,135445765,2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide,C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC=CC=C2O)O,"InChI=1S/C14H12N2O3/c17-12-7-3-1-5-10(12)9-15-16-14(19)11-6-2-4-8-13(11)18/h1-9,17-18H,(H,16,19)/b15-9+",OMCYEZUIYGPHDJ-OQLLNIDSSA-N,C14H12N2O3,256.26,256.0847923,2.7,81.9,333,0,3,4,3,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"p-Toluic acid, (p-chlorobenzylidene)hydrazide",51771-25-6,6876540,N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzamide,CC1=CC=C(C=C1)C(=O)N/N=C/C2=CC=C(C=C2)Cl,"InChI=1S/C15H13ClN2O/c1-11-2-6-13(7-3-11)15(19)18-17-10-12-4-8-14(16)9-5-12/h2-10H,1H3,(H,18,19)/b17-10+",NRWQQRUMXPWHTJ-LICLKQGHSA-N,C15H13ClN2O,272.73,272.0716407,3.6,41.5,316,0,1,2,3,19,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
N-METHYL-3-PIPERIDYL BENZILATE (JB 336),003321-80-0,62495,"(1-methylpiperidin-3-yl) 2-hydroxy-2,2-diphenylacetate",CN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O,"InChI=1S/C20H23NO3/c1-21-14-8-13-18(15-21)24-19(22)20(23,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18,23H,8,13-15H2,1H3",ZBEILXWHVSVDBN-UHFFFAOYSA-N,C20H23NO3,325.4,325.1677936,3.2,49.8,395,0,1,4,5,24,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, diphenyl-, 1-ethyl-3-piperidyl ester",82-98-4,4839,"(1-ethylpiperidin-3-yl) 2,2-diphenylacetate",CCN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C21H25NO2/c1-2-22-15-9-14-19(16-22)24-21(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,2,9,14-16H2,1H3",KTHVBAZBLKXIHZ-UHFFFAOYSA-N,C21H25NO2,323.4,323.188529,4.4,29.5,367,0,0,3,6,24,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, diphenyl-, 1-ethyl-3-piperidyl ester, hydrochloride",129-77-1,8520,"(1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrochloride",CCN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl,"InChI=1S/C21H25NO2.ClH/c1-2-22-15-9-14-19(16-22)24-21(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19-20H,2,9,14-16H2,1H3;1H",RBGWCEWDAHDPEH-UHFFFAOYSA-N,C21H26ClNO2,359.9,359.1652068,,29.5,367,0,1,3,6,25,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-Dioxaspiro(4.5)decane-3-methanol",4167-35-5,20128,"1,4-dioxaspiro[4.5]decan-3-ylmethanol",C1CCC2(CC1)OCC(O2)CO,"InChI=1S/C9H16O3/c10-6-8-7-11-9(12-8)4-2-1-3-5-9/h8,10H,1-7H2",XUGYZVQSZWPABZ-UHFFFAOYSA-N,C9H16O3,172.22,172.1099444,0.8,38.7,152,0,1,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-Dioxaspiro(4,5)decane-2-methanamine, 8-(1,1-dimethylethyl)-N-ethyl-N-propyl-",118134-30-8,86160,"N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine",CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C,"InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3",PUYXTUJWRLOUCW-UHFFFAOYSA-N,C18H35NO2,297.5,297.2667794,4.2,21.7,316,0,0,3,6,21,,,1,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,1,1,1,0
"1,2,4-THIADIAZOLE, 5-CHLORO-3-(TRICHLOROMETHYL)-",005848-93-1,79930,"5-chloro-3-(trichloromethyl)-1,2,4-thiadiazole",C1(=NSC(=N1)Cl)C(Cl)(Cl)Cl,"InChI=1S/C3Cl4N2S/c4-2-8-1(9-10-2)3(5,6)7",MARKPJMFLDWCID-UHFFFAOYSA-N,C3Cl4N2S,237.9,237.85068,2.8,54,126,0,0,3,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETRIDIAZOLE (TETRAZOLE),002593-15-9,17432,"5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole",CCOC1=NC(=NS1)C(Cl)(Cl)Cl,"InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3",KQTVWCSONPJJPE-UHFFFAOYSA-N,C5H5Cl3N2OS,247.5,245.918817,2.5,63.3,154,0,0,4,2,12,154.5 °C (open cup),95 °C at 1 mm Hg,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
DELTA-8-TETRAHDROCANNABINOL (TETRAHYDROCANNABINOLS)+D25,005957-75-5,638026,"(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol",CCCCCC1=CC(=C2[C@@H]3CC(=CC[C@H]3C(OC2=C1)(C)C)C)O,"InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1",HCAWPGARWVBULJ-IAGOWNOFSA-N,C21H30O2,314.5,314.2245802,5.7,29.5,439,0,1,2,4,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"6H-Dibenzo(b,d)pyran-1-ol, 6a,7,10,10a-tetrahydro-6,6,9-trimethyl-3-propyl-, (6aR,10aR)-",31262-38-1,3082324,"(6aR,10aR)-6,6,9-trimethyl-3-propyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol",CCCC1=CC(=C2[C@@H]3CC(=CC[C@H]3C(OC2=C1)(C)C)C)O,"InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h7,10-11,14-15,20H,5-6,8-9H2,1-4H3/t14-,15-/m1/s1",CDBDULHNWQRYSY-HUUCEWRRSA-N,C19H26O2,286.4,286.1932801,4.6,29.5,412,0,1,2,2,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"6H-Dibenzo(b,d)pyran-9-methanol, 3-(1,1-dimethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-, (6aS,10aS)-",112924-45-5,107778,"(6aS,10aS)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol",CCCCCCC(C)(C)C1=CC(=C2[C@H]3CC(=CC[C@@H]3C(OC2=C1)(C)C)CO)O,"InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m0/s1",SSQJFGMEZBFMNV-PMACEKPBSA-N,C25H38O3,386.6,386.2820951,6.4,49.7,550,0,2,3,7,28,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"Pyrrolo(2,1-b)quinazolin-3-ol, 1,2,3,9-tetrahydro-",006159-55-3,667496,"(3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol",C1CN2CC3=CC=CC=C3N=C2[C@H]1O,"InChI=1S/C11H12N2O/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13/h1-4,10,14H,5-7H2/t10-/m0/s1",YIICVSCAKJMMDJ-JTQLQIEISA-N,C11H12N2O,188.23,188.094963,0.4,35.8,264,0,1,2,0,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrrolo(2,1-b)quinazoline, 1,2,3,9-tetrahydro-, monohydrochloride",61939-05-7,3046290,"1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrochloride",C1CC2=NC3=CC=CC=C3CN2C1.Cl,"InChI=1S/C11H12N2.ClH/c1-2-5-10-9(4-1)8-13-7-3-6-11(13)12-10;/h1-2,4-5H,3,6-8H2;1H",KTCXMTWSISEJFZ-UHFFFAOYSA-N,C11H13ClN2,208.69,208.0767261,,15.6,234,0,1,1,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-Ethanoanthracene-9(10H)-propanamine, N-methyl-, methanesulfonate",58902-67-3,198375,"methanesulfonic acid;N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine",CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24.CS(=O)(=O)O,"InChI=1S/C20H23N.CH4O3S/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20;1-5(2,3)4/h2-5,7-10,15,21H,6,11-14H2,1H3;1H3,(H,2,3,4)",IUOFVKUAHKGVIO-UHFFFAOYSA-N,C21H27NO3S,373.5,373.1711649,,74.8,431,0,2,4,4,26,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Anthracene-9,10-endo-alpha,beta-succinic acid",23194-05-0,31695,"tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylic acid",C1=CC=C2C3C(C(C(C2=C1)C4=CC=CC=C34)C(=O)O)C(=O)O,"InChI=1S/C18H14O4/c19-17(20)15-13-9-5-1-2-6-10(9)14(16(15)18(21)22)12-8-4-3-7-11(12)13/h1-8,13-16H,(H,19,20)(H,21,22)",NYMGGONMSRTFKV-UHFFFAOYSA-N,C18H14O4,294.3,294.0892089,2.3,74.6,419,0,2,4,2,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
beta-Escin,011072-93-8,16211024,"(2S,3S,4S,5R,6R)-6-[[(4S,6bS,8R,9R)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid",C/C=C(\C)/C(=O)OC1[C@@H](C2([C@@H](C[C@@]3(C(=CCC4C3(CCC5C4(CCC([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C2CC1(C)C)C)O)CO)OC(=O)C,"InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10+/t26?,27-,28-,29?,30?,31-,32?,33-,34-,35+,36+,37-,38-,39+,40+,41-,42+,43?,44+,47+,48-,49-,51?,52-,53?,54-,55?/m1/s1",AXNVHPCVMSNXNP-YSYFQUGBSA-N,C55H86O24,1131.3,1130.550904,0.7,388,2300,0,13,24,16,79,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
SAPONIN,008047-15-2,6540709,"(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid",C/C=C(/C)\C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CC[C@@H]([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C2CC1(C)C)C)O)CO)OC(=O)C,"InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10-/t26?,27-,28-,29?,30?,31-,32+,33-,34-,35+,36+,37-,38-,39+,40+,41-,42+,43+,44+,47+,48+,49-,51+,52-,53-,54-,55+/m1/s1",AXNVHPCVMSNXNP-ZELRDNAQSA-N,C55H86O24,1131.3,1130.550904,0.7,388,2300,0,13,24,16,79,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
alpha-Escin,66795-86-6,76967409,"(2S,3S,4S,5R,6R)-6-[[(3R,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid",CC=C(C)C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)[C@@H]2CC1(C)C)C)O)CO)OC(=O)C,"InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/t26-,27+,28+,29+,30+,31+,32+,33+,34+,35-,36-,37+,38+,39-,40-,41+,42-,43-,44-,47-,48-,49+,51-,52+,53+,54+,55-/m0/s1",AXNVHPCVMSNXNP-FPFZDEADSA-N,C55H86O24,1131.3,1130.550904,0.7,388,2300,0,13,24,16,79,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"BENZOIC ACID, 2-HYDROXY-3,5-DINITRO-, [(5-NITRO-2-FURANYL)METHYLENE]HYDRAZIDE",016915-70-1,9570327,"2-hydroxy-3,5-dinitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide",C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=O)C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O,"InChI=1S/C12H7N5O9/c18-11-8(3-6(15(20)21)4-9(11)16(22)23)12(19)14-13-5-7-1-2-10(26-7)17(24)25/h1-5,18H,(H,14,19)/b13-5+",XXUXXCZCUGIGPP-WLRTZDKTSA-N,C12H7N5O9,365.21,365.0243768,2.2,212,610,0,2,10,3,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, p-hydroxy-, (5-nitrofurfurylidene)hydrazide",965-52-6,5337997,4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide,C1=CC(=CC=C1C(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-])O,"InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)/b13-7+",YCWSUKQGVSGXJO-NTUHNPAUSA-N,C12H9N3O5,275.22,275.0542204,2.1,121,387,0,2,6,3,20,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, furfurylidenehydrazide",62214-31-7,99758,N-(furan-2-ylmethylideneamino)benzamide,C1=CC=C(C=C1)C(=O)NN=CC2=CC=CO2,"InChI=1S/C12H10N2O2/c15-12(10-5-2-1-3-6-10)14-13-9-11-7-4-8-16-11/h1-9H,(H,14,15)",FLSCWWXUVAYOLY-UHFFFAOYSA-N,C12H10N2O2,214.22,214.0742276,2.2,54.6,260,0,1,3,3,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOPENTANONE, 2-HEXYLIDENE-",017373-89-6,6385721,(2E)-2-hexylidenecyclopentan-1-one,CCCCC/C=C/1\CCCC1=O,"InChI=1S/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h7H,2-6,8-9H2,1H3/b10-7+",WZPGQHVPSKTELT-JXMROGBWSA-N,C11H18O,166.26,166.1357652,3.3,17.1,179,0,0,1,4,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"CYCLOPENTANONE, 2-HEPTYLIDENE-",039189-74-7,6441035,(2E)-2-heptylidenecyclopentan-1-one,CCCCCC/C=C/1\CCCC1=O,"InChI=1S/C12H20O/c1-2-3-4-5-6-8-11-9-7-10-12(11)13/h8H,2-7,9-10H2,1H3/b11-8+",PBNMXJOZTAVFCR-DHZHZOJOSA-N,C12H20O,180.29,180.1514153,3.8,17.1,191,0,0,1,5,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"Carbamic acid, N-(5-benzoylbenzimidazol-2-yl)-, methyl ester",031431-39-7,4030,methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate,COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3,"InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)",OPXLLQIJSORQAM-UHFFFAOYSA-N,C16H13N3O3,295.29,295.0956913,2.8,84.1,423,0,2,4,4,22,,,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Ketone, 2-amino-6-benzimidazolyl phenyl",052329-60-9,40320,(2-amino-3H-benzimidazol-5-yl)-phenylmethanone,C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)N,"InChI=1S/C14H11N3O/c15-14-16-11-7-6-10(8-12(11)17-14)13(18)9-4-2-1-3-5-9/h1-8H,(H3,15,16,17)",GPMHHSJZGVOEFS-UHFFFAOYSA-N,C14H11N3O,237.26,237.090212,2.6,71.8,314,0,2,3,2,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Benzimidazolecarbamic acid, 5-(p-fluorobenzoyl)-, methyl ester",031430-15-6,35802,methyl N-[6-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]carbamate,COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=C(C=C3)F,"InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)",CPEUVMUXAHMANV-UHFFFAOYSA-N,C16H12FN3O3,313.28,313.0862694,2.9,84.1,454,0,2,5,4,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1-Butanone, 1-(4,6-dimethoxy-2-hydroxyphenyl)-4-(1-pyrrolidinyl)-, hydrochloride",70585-57-8,24835954,"1-(2-hydroxy-4,6-dimethoxyphenyl)-4-pyrrolidin-1-ylbutan-1-one;hydrochloride",COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)O.Cl,"InChI=1S/C16H23NO4.ClH/c1-20-12-10-14(19)16(15(11-12)21-2)13(18)6-5-9-17-7-3-4-8-17;/h10-11,19H,3-9H2,1-2H3;1H",RCUKXZJPJKYJEL-UHFFFAOYSA-N,C16H24ClNO4,329.82,329.1393859,,59,330,0,2,5,7,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butanone, 1-(2,6-dimethoxy-4-hydroxyphenyl)-4-(1-pyrrolidinyl)-, hydrochloride",,183807,"1-(4-hydroxy-2,6-dimethoxyphenyl)-4-pyrrolidin-1-ylbutan-1-one;hydrochloride",COC1=CC(=CC(=C1C(=O)CCCN2CCCC2)OC)O.Cl,"InChI=1S/C16H23NO4.ClH/c1-20-14-10-12(18)11-15(21-2)16(14)13(19)6-5-9-17-7-3-4-8-17;/h10-11,18H,3-9H2,1-2H3;1H",FUYNGWCGSJHNDN-UHFFFAOYSA-N,C16H24ClNO4,329.82,329.1393859,,59,316,0,2,5,7,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Butanone, 4-(1-pyrrolidinyl)-1-(2,4,6-trimethoxyphenyl)-, hydrochloride",035543-24-9,6420013,"4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;hydrochloride",COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC.Cl,"InChI=1S/C17H25NO4.ClH/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18;/h11-12H,4-10H2,1-3H3;1H",ZDPACSAHMZADFZ-UHFFFAOYSA-N,C17H26ClNO4,343.8,343.155036,,48,330,0,1,5,8,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Eburnamenine-14-carboxylic acid, ethyl ester, (3-alpha,16-alpha)-",042971-09-5,443955,"ethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate",CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OCC,"InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1",DDNCQMVWWZOMLN-IRLDBZIGSA-N,C22H26N2O2,350.5,350.1994281,4.1,34.5,617,0,0,3,4,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Eburnamenine-14-carboxylic acid, 17,18-didehydro-14,15-dihydro-14-hydroxy-11-methoxy-,methyl ester, (3-alpha,14-beta,16-alpha)-",32790-04-8,160154,"(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylic acid",CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)O,"InChI=1S/C20H22N2O2/c1-2-20-9-5-10-21-11-8-14-13-6-3-4-7-15(13)22(17(14)18(20)21)16(12-20)19(23)24/h3-4,6-7,12,18H,2,5,8-11H2,1H3,(H,23,24)/t18-,20+/m1/s1",ZFCQLDAGNBFMJQ-QUCCMNQESA-N,C20H22N2O2,322.4,322.1681279,1.1,45.5,588,0,1,3,2,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-PYRIMIDINEMETHANOL, .ALPHA.-(2-CHLOROPHENYL)-.ALPHA.-(4-CHLOROPHENYL)-",060168-88-9,43226,(2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol,C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)(C3=CN=CN=C3)O)Cl,"InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H",NHOWDZOIZKMVAI-UHFFFAOYSA-N,C17H12Cl2N2O,331.2,330.0326684,3.6,46,357,0,1,3,3,22,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"5-Pyrimidinemethanol, alpha-(2,4-dichlorophenyl)-alpha-phenyl-",26766-27-8,33605,"(2,4-dichlorophenyl)-phenyl-pyrimidin-5-ylmethanol",C1=CC=C(C=C1)C(C2=C(C=C(C=C2)Cl)Cl)(C3=CN=CN=C3)O,"InChI=1S/C17H12Cl2N2O/c18-14-6-7-15(16(19)8-14)17(22,12-4-2-1-3-5-12)13-9-20-11-21-10-13/h1-11,22H",MYUPFXPCYUISAG-UHFFFAOYSA-N,C17H12Cl2N2O,331.2,330.0326684,2.6,46,359,0,1,3,3,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-PYRIMIDINEMETHANOL, .ALPHA.-(2-CHLOROPHENYL)-.ALPHA.-(4-FLUOROPHENYL)-",063284-71-9,91683,(2-chlorophenyl)-(4-fluorophenyl)-pyrimidin-5-ylmethanol,C1=CC=C(C(=C1)C(C2=CC=C(C=C2)F)(C3=CN=CN=C3)O)Cl,"InChI=1S/C17H12ClFN2O/c18-16-4-2-1-3-15(16)17(22,13-9-20-11-21-10-13)12-5-7-14(19)8-6-12/h1-11,22H",SAPGTCDSBGMXCD-UHFFFAOYSA-N,C17H12ClFN2O,314.7,314.0622189,2.2,46,359,0,1,4,3,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
QUIZALOFOP-ETHYL (MALE),076578-14-8,53518,ethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate,CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl,"InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3",OSUHJPCHFDQAIT-UHFFFAOYSA-N,C19H17ClN2O4,372.8,372.0876847,4.3,70.5,459,0,0,6,7,26,,220 °C @ 0.2 mm Hg,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propanoic acid, 2-(4-((6-chloro-2-quinoxalinyl)oxy)phenoxy)-, ethyl ester, (R)-",100646-51-3,5484172,(2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid,C[C@H](C(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl,"InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)/t10-/m1/s1",ABOOPXYCKNFDNJ-SNVBAGLBSA-N,C17H13ClN2O4,344.7,344.0563846,3.6,81.5,431,0,1,6,5,24,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propanoic acid, 2-(4-((6-chloro-2-quinoxalinyl)oxy)phenoxy)-, 2-(((1-methylethylidene)amino)oxy)ethyl ester, (R)-",111479-05-1,16213016,2-(propan-2-ylideneamino)oxyethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate,C[C@H](C(=O)OCCON=C(C)C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl,"InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1",FROBCXTULYFHEJ-OAHLLOKOSA-N,C22H22ClN3O5,443.9,443.1247985,4.6,92.1,596,0,0,8,10,31,,,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
PYRROMETHENE 650,157410-23-6,20724664,"2,2-difluoro-4,5,6,10,11,12-hexamethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene-8-carbonitrile",[B-]1(N2C(=C(C(=C2C(=C3[N+]1=C(C(=C3C)C)C)C#N)C)C)C)(F)F,"InChI=1S/C16H18BF2N3/c1-8-10(3)15-14(7-20)16-11(4)9(2)13(6)22(16)17(18,19)21(15)12(8)5/h1-6H3",LXNVCQRKLGCOPW-UHFFFAOYSA-N,C16H18BF2N3,301.1,301.1561841,,31.7,663,0,0,4,0,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PYRROMETHENE 567,131083-16-4,14766994,"5,11-diethyl-2,2-difluoro-4,6,8,10,12-pentamethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene",[B-]1(N2C(=C(C(=C2C(=C3[N+]1=C(C(=C3C)CC)C)C)C)CC)C)(F)F,"InChI=1S/C18H25BF2N2/c1-8-15-10(3)17-12(5)18-11(4)16(9-2)14(7)23(18)19(20,21)22(17)13(15)6/h8-9H2,1-7H3",DZSMVBDAUBBZJD-UHFFFAOYSA-N,C18H25BF2N2,318.2,318.2078853,,7.9,598,0,0,3,2,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4-DIFLUORO-1,3,5,7,8-PENTAMETHYL-4-BORA-3A, 4A-DIAZA-S-INDACENE",121207-31-6,14766991,"2,2-difluoro-4,6,8,10,12-pentamethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene",[B-]1(N2C(=CC(=C2C(=C3[N+]1=C(C=C3C)C)C)C)C)(F)F,"InChI=1S/C14H17BF2N2/c1-8-6-10(3)18-13(8)12(5)14-9(2)7-11(4)19(14)15(18,16)17/h6-7H,1-5H3",DRJHPEGNOPSARR-UHFFFAOYSA-N,C14H17BF2N2,262.11,262.145285,,7.9,505,0,0,3,0,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PACHYCARPINE,000492-08-0,7014,"(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane",C1CCN2C[C@H]3C[C@@H]([C@H]2C1)CN4[C@H]3CCCC4,"InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m1/s1",SLRCCWJSBJZJBV-TUVASFSCSA-N,C15H26N2,234.38,234.2095988,2.5,6.5,263,0,0,2,0,17,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Sparteine, sulfate",000299-39-8,23616742,"(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;sulfuric acid",C1CCN2C[C@@H]3C[C@H]([C@H]2C1)CN4[C@H]3CCCC4.OS(=O)(=O)O,"InChI=1S/C15H26N2.H2O4S/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;1-5(2,3)4/h12-15H,1-11H2;(H2,1,2,3,4)/t12-,13-,14-,15+;/m0./s1",FCEHFCFHANDXMB-UMEYXWOPSA-N,C15H28N2O4S,332.5,332.1769786,,89.5,344,0,2,6,0,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETAMIDE, N-[3-(CYCLOHEXYLAMINO)-4-METHOXYPHENYL]-",029633-64-5,122427,N-[3-(cyclohexylamino)-4-methoxyphenyl]acetamide,CC(=O)NC1=CC(=C(C=C1)OC)NC2CCCCC2,"InChI=1S/C15H22N2O2/c1-11(18)16-13-8-9-15(19-2)14(10-13)17-12-6-4-3-5-7-12/h8-10,12,17H,3-7H2,1-2H3,(H,16,18)",RDJIABSQIXFOFL-UHFFFAOYSA-N,C15H22N2O2,262.35,262.1681279,3,50.4,290,0,2,3,4,19,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, N-CYCLOHEXYL-",001821-36-9,74567,N-cyclohexylaniline,C1CCC(CC1)NC2=CC=CC=C2,"InChI=1S/C12H17N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2",TXTHKGMZDDTZFD-UHFFFAOYSA-N,C12H17N,175.27,175.1360995,3.7,12,132,0,1,1,2,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"3(2H)-Pyridazinone, 4,5-dihydro-6-(4-chlorophenyl)-",1079-73-8,120990,"3-(4-chlorophenyl)-4,5-dihydro-1H-pyridazin-6-one",C1CC(=O)NN=C1C2=CC=C(C=C2)Cl,"InChI=1S/C10H9ClN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-4H,5-6H2,(H,13,14)",AZDWIMWFLAIPIR-UHFFFAOYSA-N,C10H9ClN2O,208.64,208.0403406,1.6,41.5,257,0,1,2,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Propanedinitrile, ((4-((4R)-1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazono)-",141505-33-1,3033825,"2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile",C[C@@H]1CC(=O)NN=C1C2=CC=C(C=C2)NN=C(C#N)C#N,"InChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,17H,6H2,1H3,(H,19,21)/t9-/m1/s1",WHXMKTBCFHIYNQ-SECBINFHSA-N,C14H12N6O,280.28,280.107259,2.3,113,549,0,2,6,3,21,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,12-Epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10-ol, decahydro-3,6,9-trimethyl-,(3R-(3-alpha,5a-beta,6-beta,8a-beta,9-alpha,10-alpha,12-beta,12aR*)-",71939-50-9,3000518,"(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol",C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)O)C,"InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1",BJDCWCLMFKKGEE-ISOSDAIHSA-N,C15H24O5,284.35,284.1623739,2.5,57.2,415,0,1,5,0,20,,,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0,0
"3,12-Epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin, decahydro-10-ethoxy-3,6,9-trimethyl-,(3R-(3alpha,5abeta,6beta,8abeta,9alpha,10alpha,12beta,12aR*))-",75887-54-6,3000469,"(1R,4S,5R,8S,9R,10S,12R,13R)-10-ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane",CCO[C@@H]1[C@@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O1)O[C@@](CC3)(OO4)C)C)C,"InChI=1S/C17H28O5/c1-5-18-14-11(3)13-7-6-10(2)12-8-9-16(4)20-15(19-14)17(12,13)22-21-16/h10-15H,5-9H2,1-4H3/t10-,11-,12+,13+,14+,15-,16-,17-/m1/s1",NLYNIRQVMRLPIQ-XQLAAWPRSA-N,C17H28O5,312.4,312.193674,3.4,46.2,443,0,0,5,2,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"3,12-Epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin, decahydro-10-methoxy-3,6,9-tri",071963-77-4,68911,"(1R,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane",C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC)C,"InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1",SXYIRMFQILZOAM-HVNFFKDJSA-N,C16H26O5,298.37,298.1780239,3.1,46.2,429,0,0,5,1,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"6-PHENYL-1,3,5-TRIAZINE-2,4-DIAMINE",000091-76-9,7064,"6-phenyl-1,3,5-triazine-2,4-diamine",C1=CC=C(C=C1)C2=NC(=NC(=N2)N)N,"InChI=1S/C9H9N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14)",GZVHEAJQGPRDLQ-UHFFFAOYSA-N,C9H9N5,187.2,187.0857953,1.4,90.7,170,0,2,5,1,14,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,5-Triazine-2,4-diamine, 6-(4-methoxyphenyl)-",30354-91-7,34921,"6-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine",COC1=CC=C(C=C1)C2=NC(=NC(=N2)N)N,"InChI=1S/C10H11N5O/c1-16-7-4-2-6(3-5-7)8-13-9(11)15-10(12)14-8/h2-5H,1H3,(H4,11,12,13,14,15)",WBDWTNWLWBQFJU-UHFFFAOYSA-N,C10H11N5O,217.23,217.09636,1.7,99.9,209,0,2,6,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Flavone, 3,5-dihydroxy-3',4',7-tris(2-hydroxyethoxy)-, 3-(6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside)",7085-55-4,5486699,"2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one",C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)OCCO)OCCO)O)O)O)O)O)O,"InChI=1S/C33H42O19/c1-14-23(38)26(41)28(43)32(49-14)48-13-21-24(39)27(42)29(44)33(51-21)52-31-25(40)22-17(37)11-16(45-7-4-34)12-20(22)50-30(31)15-2-3-18(46-8-5-35)19(10-15)47-9-6-36/h2-3,10-12,14,21,23-24,26-29,32-39,41-44H,4-9,13H2,1H3/t14-,21+,23-,24+,26+,27-,28+,29+,32+,33-/m0/s1",IYVFNTXFRYQLRP-VVSTWUKXSA-N,C33H42O19,742.7,742.2320291,-2.4,293,1170,0,10,19,15,52,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-",17650-84-9,5318767,"5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one",C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",RTATXGUCZHCSNG-QHWHWDPRSA-N,C27H30O15,594.5,594.1584703,-0.9,245,985,0,9,15,6,42,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PHENYTOIN,000057-41-0,1775,"5,5-diphenylimidazolidine-2,4-dione",C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3,"InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)",CXOFVDLJLONNDW-UHFFFAOYSA-N,C15H12N2O2,252.27,252.0898776,2.5,58.2,350,0,2,2,2,19,,,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Hydantoin, 5-(p-hydroxyphenyl)-5-phenyl-",002784-27-2,17732,"5-(4-hydroxyphenyl)-5-phenylimidazolidine-2,4-dione",C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=C(C=C3)O,"InChI=1S/C15H12N2O3/c18-12-8-6-11(7-9-12)15(10-4-2-1-3-5-10)13(19)16-14(20)17-15/h1-9,18H,(H2,16,17,19,20)",XEEDURHPFVXALT-UHFFFAOYSA-N,C15H12N2O3,268.27,268.0847923,2.1,78.4,398,0,3,3,2,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DICYCLOHEXYL,000092-51-3,7094,cyclohexylcyclohexane,C1CCC(CC1)C2CCCCC2,"InChI=1S/C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11-12H,1-10H2",WVIIMZNLDWSIRH-UHFFFAOYSA-N,C12H22,166.3,166.1721507,5.7,0,100,0,0,0,1,12,,,1,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"(Bicyclohexyl)-1-carboxylic acid, 2-(diethylamino)ethyl ester, hydrochloride",67-92-5,441344,2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate;hydrochloride,CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2.Cl,"InChI=1S/C19H35NO2.ClH/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17;/h17H,3-16H2,1-2H3;1H",GUBNMFJOJGDCEL-UHFFFAOYSA-N,C19H36ClNO2,345.9,345.2434571,,29.5,326,0,1,3,8,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N-(2-ETHYLHEXYL)-5-NORBORNENE-2,3-DICARBOXIMIDE",000113-48-4,101008927,"(1R,2S,6R,7S)-4-(2-ethylhexyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione",CCCCC(CC)CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]2C1=O)C=C3,"InChI=1S/C17H25NO2/c1-3-5-6-11(4-2)10-18-16(19)14-12-7-8-13(9-12)15(14)17(18)20/h7-8,11-15H,3-6,9-10H2,1-2H3/t11?,12-,13+,14-,15+",WLLGXSLBOPFWQV-LFAHVKQVSA-N,C17H25NO2,275.4,275.188529,3.4,37.4,412,0,0,2,6,20,177 °C (351 °F) - closed cup,157 °C,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"5-Norbornene-2,3-dicarboximide, 1,4,5,6,7,7-hexachloro-",6889-41-4,17438,"1,7,8,9,10,10-hexachloro-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione",C12C(C(=O)NC1=O)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,"InChI=1S/C9H3Cl6NO2/c10-3-4(11)8(13)2-1(5(17)16-6(2)18)7(3,12)9(8,14)15/h1-2H,(H,16,17,18)",VTOLQEMXZUTSMA-UHFFFAOYSA-N,C9H3Cl6NO2,369.8,368.826544,1.8,46.2,501,0,1,2,0,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,2-DIOXAPHOSPHOLANE, 2-CHLORO-",000822-39-9,69973,"2-chloro-1,3,2-dioxaphospholane",C1COP(O1)Cl,InChI=1S/C2H4ClO2P/c3-6-4-1-2-5-6/h1-2H2,OLSFRDLMFAOSIA-UHFFFAOYSA-N,C2H4ClO2P,126.48,125.9637441,0.6,18.5,44,0,0,2,0,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphorous acid, cyclic ethylene methyl ester",3741-36-4,19542,"2-methoxy-1,3,2-dioxaphospholane",COP1OCCO1,"InChI=1S/C3H7O3P/c1-4-7-5-2-3-6-7/h2-3H2,1H3",FBOPSFFWGHLLTB-UHFFFAOYSA-N,C3H7O3P,122.06,122.0132811,-0.2,27.7,52,0,0,3,1,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-CHLORO-4,4,5,5-TETRAMETHYL-1,3,2-DIOXAPHOSPHOLANE",014812-59-0,4571928,"2-chloro-4,4,5,5-tetramethyl-1,3,2-dioxaphospholane",CC1(C(OP(O1)Cl)(C)C)C,"InChI=1S/C6H12ClO2P/c1-5(2)6(3,4)9-10(7)8-5/h1-4H3",WGPCXYWWBFBNSS-UHFFFAOYSA-N,C6H12ClO2P,182.58,182.0263443,1.8,18.5,131,0,0,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-OXA-4-AZASPIRO[4.5]DECANE-4-ETHANOL,002359-11-7,75380,2-(1-oxa-4-azaspiro[4.5]decan-4-yl)ethanol,C1CCC2(CC1)N(CCO2)CCO,"InChI=1S/C10H19NO2/c12-8-6-11-7-9-13-10(11)4-2-1-3-5-10/h12H,1-9H2",DLCNHYLWGIBPPJ-UHFFFAOYSA-N,C10H19NO2,185.26,185.1415788,0.9,32.7,166,0,1,3,2,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-PROPENOIC ACID, 2-METHYL-, 2-(1-OXA-4-AZASPIRO[4.5]DEC-4-YL)ETHYLESTER",004203-89-8,77874,2-(1-oxa-4-azaspiro[4.5]decan-4-yl)ethyl 2-methylprop-2-enoate,CC(=C)C(=O)OCCN1CCOC12CCCCC2,"InChI=1S/C14H23NO3/c1-12(2)13(16)17-10-8-15-9-11-18-14(15)6-4-3-5-7-14/h1,3-11H2,2H3",DCEYPVNNJBGUHA-UHFFFAOYSA-N,C14H23NO3,253.34,253.1677936,2.5,38.8,321,0,0,4,5,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"1-OXA-4-AZASPIRO(4,5)DECANE, 4-DICHLOROACETYL-",071526-07-3,3482402,"2,2-dichloro-1-(1-oxa-4-azaspiro[4.5]decan-4-yl)ethanone",C1CCC2(CC1)N(CCO2)C(=O)C(Cl)Cl,"InChI=1S/C10H15Cl2NO2/c11-8(12)9(14)13-6-7-15-10(13)4-2-1-3-5-10/h8H,1-7H2",QWWHRELOCZEQNZ-UHFFFAOYSA-N,C10H15Cl2NO2,252.13,251.0479841,2.4,29.5,252,0,0,2,1,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
SAFRANIN O,000477-73-6,2723800,"3,7-dimethyl-10-phenylphenazin-10-ium-2,8-diamine chloride",CC1=CC2=C(C=C1N)[N+](=C3C=C(C(=CC3=N2)C)N)C4=CC=CC=C4.[Cl-],"InChI=1S/C20H18N4.ClH/c1-12-8-17-19(10-15(12)21)24(14-6-4-3-5-7-14)20-11-16(22)13(2)9-18(20)23-17;/h3-11H,1-2H3,(H3,21,22);1H",OARRHUQTFTUEOS-UHFFFAOYSA-N,C20H19ClN4,350.8,350.1298243,,68.8,405,0,2,4,1,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHENAZINIUM, 3-AMINO-7-(DIMETHYLAMINO)-5-PHENYL-, CHLORIDE",002390-56-9,75442,"2-N,2-N-dimethyl-10-phenylphenazin-10-ium-2,8-diamine chloride",CN(C)C1=CC2=[N+](C3=C(C=CC(=C3)N)N=C2C=C1)C4=CC=CC=C4.[Cl-],"InChI=1S/C20H18N4.ClH/c1-23(2)16-9-11-18-20(13-16)24(15-6-4-3-5-7-15)19-12-14(21)8-10-17(19)22-18;/h3-13,21H,1-2H3;1H",SQHWUYVHKRVCMD-UHFFFAOYSA-N,C20H19ClN4,350.8,350.1298243,,46,420,0,1,4,2,25,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"2,3-Quinoxalinedimethanol, 1,4-dioxide",017311-31-8,28467,[3-(hydroxymethyl)-1-oxido-4-oxoquinoxalin-4-ium-2-yl]methanol,C1=CC=C2C(=C1)N(C(=C([N+]2=O)CO)CO)[O-],"InChI=1S/C10H10N2O4/c13-5-9-10(6-14)12(16)8-4-2-1-3-7(8)11(9)15/h1-4,13-14H,5-6H2",DOIGHQCAQBRSKI-UHFFFAOYSA-N,C10H10N2O4,222.2,222.0640568,-0.7,86.8,299,0,2,5,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Quinoxalinecarboxamide, N-(2-hydroxyethyl)-3-methyl-, 1,4-dioxide",23696-28-8,71905,N-(2-hydroxyethyl)-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide,CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)NCCO,"InChI=1S/C12H13N3O4/c1-8-11(12(17)13-6-7-16)15(19)10-5-3-2-4-9(10)14(8)18/h2-5,16H,6-7H2,1H3,(H,13,17)",TURHTASYUMWZCC-UHFFFAOYSA-N,C12H13N3O4,263.25,263.0906059,-0.2,95.7,421,0,2,5,3,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((amino-1,4-cyclohexa",038821-53-3,38103,"(6R,7R)-7-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)SC1)C(=O)O,"InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1",RDLPVSKMFDYCOR-UEKVPHQBSA-N,C16H19N3O4S,349.4,349.1096273,0.4,138,697,0,3,6,4,24,No Data,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((amino-1,4-cyclohexa",051762-05-1,5284529,"(6R,7R)-7-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",COC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)SC1)C(=O)O,"InChI=1S/C16H19N3O5S/c1-24-9-7-25-15-11(14(21)19(15)12(9)16(22)23)18-13(20)10(17)8-5-3-2-4-6-8/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1",RDMOROXKXONCAL-UEKVPHQBSA-N,C16H19N3O5S,365.4,365.1045419,-2.3,147,715,0,3,7,5,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(2-amino-2-(1,4-cyclohexadien-1-yl)acetamido)-3-methyl-8-oxo-, hydrate, D-",31828-50-9,65476,"(6R,7R)-7-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;dihydrate",CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)SC1)C(=O)O.O.O,"InChI=1S/C16H19N3O4S.2H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;;/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23);2*1H2/t10-,11-,15-;;/m1../s1",HBKDHIDYMXXJLI-OEDJVVDHSA-N,C16H23N3O6S,385.4,385.1307566,,140,697,0,5,8,4,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"1H-BENZ[E]INDOLIUM, 2-[7-[1,3-DIHYDRO-1,1-DIMETHYL-3-(4-SULFOBUTYL)-2H-BENZ[E]",063450-67-9,173928,"disodium;4-[2-[7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate;iodide",CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])C=CC=CC=CC=C4C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC6=CC=CC=C65)(C)C)C.[Na+].[Na+].[I-],"InChI=1S/C43H48N2O6S2.HI.2Na/c1-42(2)38(44(28-14-16-30-52(46,47)48)36-26-24-32-18-10-12-20-34(32)40(36)42)22-8-6-5-7-9-23-39-43(3,4)41-35-21-13-11-19-33(35)25-27-37(41)45(39)29-15-17-31-53(49,50)51;;;/h5-13,18-27H,14-17,28-31H2,1-4H3,(H-,46,47,48,49,50,51);1H;;/q;;2*+1/p-2",HDIVZKFFHOZQDS-UHFFFAOYSA-L,C43H47IN2Na2O6S2,924.9,924.17157,,137,1520,0,0,8,12,56,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
NK 2014,023178-67-8,168086,"1,1,3-trimethyl-2-[7-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e]indole perchlorate",CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC=CC=CC=C4C(C5=C(N4C)C=CC6=CC=CC=C65)(C)C)C.[O-]Cl(=O)(=O)=O,"InChI=1S/C37H37N2.ClHO4/c1-36(2)32(38(5)30-24-22-26-16-12-14-18-28(26)34(30)36)20-10-8-7-9-11-21-33-37(3,4)35-29-19-15-13-17-27(29)23-25-31(35)39(33)6;2-1(3,4)5/h7-25H,1-6H3;(H,2,3,4,5)/q+1;/p-1",QVHVXEVQPNDOFD-UHFFFAOYSA-M,C37H37ClN2O4,609.2,608.2441854,,80.5,1080,0,0,5,4,44,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
IR 125,003599-32-4,5282412,"sodium 4-[(2Z)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate",CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])/C=C/C=C/C=C/C=C\4/C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC6=CC=CC=C65)(C)C)C.[Na+],"InChI=1S/C43H48N2O6S2.Na/c1-42(2)38(44(28-14-16-30-52(46,47)48)36-26-24-32-18-10-12-20-34(32)40(36)42)22-8-6-5-7-9-23-39-43(3,4)41-35-21-13-11-19-33(35)25-27-37(41)45(39)29-15-17-31-53(49,50)51;/h5-13,18-27H,14-17,28-31H2,1-4H3,(H-,46,47,48,49,50,51);/q;+1/p-1",MOFVSTNWEDAEEK-UHFFFAOYSA-M,C43H47N2NaO6S2,775,774.2773239,,137,1520,0,0,7,12,54,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2'-BIQUINOLINE-4,4'-DICARBOXYLIC ACID, DIPOTASSIUM SALT TRIHYDRATE",063451-34-3,113231,dipotassium;2-(4-carboxylatoquinolin-2-yl)quinoline-4-carboxylate,C1=CC=C2C(=C1)C(=CC(=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)[O-])C(=O)[O-].[K+].[K+],"InChI=1S/C20H12N2O4.2K/c23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18;;/h1-10H,(H,23,24)(H,25,26);;/q;2*+1/p-2",WCYSOCFXPUNTJG-UHFFFAOYSA-L,C20H10K2N2O4,420.5,419.9914698,,106,495,0,0,6,1,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BICINCHONINIC ACID SOLID, SODIUM SALT",000979-88-4,164763,disodium;2-(4-carboxylatoquinolin-2-yl)quinoline-4-carboxylate,C1=CC=C2C(=C1)C(=CC(=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)[O-])C(=O)[O-].[Na+].[Na+],"InChI=1S/C20H12N2O4.2Na/c23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18;;/h1-10H,(H,23,24)(H,25,26);;/q;2*+1/p-2",AUPXFICLXPLHBB-UHFFFAOYSA-L,C20H10N2Na2O4,388.3,388.0435954,,106,495,0,0,6,1,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
CURCUMIN,000458-37-7,969516,"(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione",COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O,"InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+",VFLDPWHFBUODDF-FCXRPNKRSA-N,C21H20O6,368.4,368.1259884,3.2,93.1,507,0,2,6,8,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4,6-Heptatrien-3-one, 5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)-",24939-17-1,5469424,"(1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione",COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC=C(C=C2)O)O,"InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3/b9-4+,10-5+",HJTVQHVGMGKONQ-LUZURFALSA-N,C20H18O5,338.4,338.1154237,3.3,83.8,502,0,2,5,7,25,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxyphenyl)-, (1E,6E)-",24939-16-0,5315472,"(1E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione",C1=CC(=CC=C1/C=C/C(=O)CC(=O)/C=C/C2=CC=C(C=C2)O)O,"InChI=1S/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-12,20-21H,13H2/b11-5+,12-6+",PREBVFJICNPEKM-YDWXAUTNSA-N,C19H16O4,308.3,308.104859,3.3,74.6,408,0,2,4,6,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PHENAZINE METHOSULFATE,000299-11-6,9285,5-methylphenazin-5-ium;methyl sulfate,C[N+]1=C2C=CC=CC2=NC3=CC=CC=C31.COS(=O)(=O)[O-],"InChI=1S/C13H11N2.CH4O4S/c1-15-12-8-4-2-6-10(12)14-11-7-3-5-9-13(11)15;1-5-6(2,3)4/h2-9H,1H3;1H3,(H,2,3,4)/q+1;/p-1",RXGJTUSBYWCRBK-UHFFFAOYSA-M,C14H14N2O4S,306.34,306.0674281,,91.6,297,0,0,5,0,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenazine, 5-oxide",000304-81-4,9362,5-oxidophenazin-5-ium,C1=CC=C2C(=C1)N=C3C=CC=CC3=[N+]2[O-],InChI=1S/C12H8N2O/c15-14-11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)14/h1-8H,FFISWZPYNKWIRR-UHFFFAOYSA-N,C12H8N2O,196.2,196.0636629,1.6,38.4,212,0,0,2,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbazole, 3-amino-5,6,7,8-tetrahydro-, hydrochloride",1079-26-1,43423620,"6,7,8,9-tetrahydro-5H-carbazol-3-amine;hydrochloride",C1CCC2=C(C1)C3=C(N2)C=CC(=C3)N.Cl,"InChI=1S/C12H14N2.ClH/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;/h5-7,14H,1-4,13H2;1H",IQYBYMUXGYHPFW-UHFFFAOYSA-N,C12H15ClN2,222.71,222.0923762,,41.8,216,0,3,1,0,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Carbazole-1-carboxamide, 6-chloro-2,3,4,9-tetrahydro-",49843-98-3,5113032,"6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide",C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N,"InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)",FUZYTVDVLBBXDL-UHFFFAOYSA-N,C13H13ClN2O,248.71,248.0716407,2.5,58.9,323,0,2,1,1,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,3,4-TETRAHYDROCARBAZOLE",000942-01-8,13664,"2,3,4,9-tetrahydro-1H-carbazole",C1CCC2=C(C1)C3=CC=CC=C3N2,"InChI=1S/C12H13N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,5,7,13H,2,4,6,8H2",XKLNOVWDVMWTOB-UHFFFAOYSA-N,C12H13N,171.24,171.1047994,3.3,15.8,190,0,1,0,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ANTHRONE,000090-44-8,7018,10H-anthracen-9-one,C1C2=CC=CC=C2C(=O)C3=CC=CC=C31,"InChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8H,9H2",RJGDLRCDCYRQOQ-UHFFFAOYSA-N,C14H10O,194.23,194.0731649,3.7,17.1,234,0,0,1,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
9-Anthronol,1715-81-7,150937,1-hydroxy-10H-anthracen-9-one,C1C2=C(C(=CC=C2)O)C(=O)C3=CC=CC=C31,"InChI=1S/C14H10O2/c15-12-7-3-5-10-8-9-4-1-2-6-11(9)14(16)13(10)12/h1-7,15H,8H2",AXHRXVXCOMMNLG-UHFFFAOYSA-N,C14H10O2,210.23,210.0680796,3.6,37.3,286,0,1,2,0,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"4',4""(5"")-DI-TERT-BUTYLDIBENZO-18-CROWN-6",029471-17-8,169043,"11,24-ditert-butyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene",CC(C)(C)C1=CC2=C(C=C1)OCCOCCOC3=C(C=CC(=C3)C(C)(C)C)OCCOCCO2,"InChI=1S/C28H40O6/c1-27(2,3)21-7-9-23-25(19-21)33-17-13-29-12-16-32-24-10-8-22(28(4,5)6)20-26(24)34-18-14-30-11-15-31-23/h7-10,19-20H,11-18H2,1-6H3",ODEWVZWKIFSVMI-UHFFFAOYSA-N,C28H40O6,472.6,472.282489,5.7,55.4,518,0,0,6,2,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4'-AMINODIBENZO-18-CROWN-6,126531-26-8,2724828,"2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-amine",C1COC2=C(C=C(C=C2)N)OCCOCCOC3=CC=CC=C3OCCO1,"InChI=1S/C20H25NO6/c21-16-5-6-19-20(15-16)27-14-10-23-8-12-25-18-4-2-1-3-17(18)24-11-7-22-9-13-26-19/h1-6,15H,7-14,21H2",FFYZYAKXQMHVQE-UHFFFAOYSA-N,C20H25NO6,375.4,375.1681875,1.5,81.4,399,0,1,7,0,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ABIETIC ACID,000514-10-3,10569,"(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid",CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",RSWGJHLUYNHPMX-ONCXSQPRSA-N,C20H30O2,302.5,302.2245802,4.8,37.3,542,0,1,2,2,22,,"482 °F at 9 mmHg (NTP, 1992)",1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TALL-OIL ROSIN,008052-10-6,90895,"1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid",CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)",RSWGJHLUYNHPMX-UHFFFAOYSA-N,C20H30O2,302.5,302.2245802,4.8,37.3,542,0,1,2,2,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
METHYL ABIETATE,000127-25-3,173058,"methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate",CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)OC)C,"InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+,21+/m0/s1",OVXRPXGVKBHGQO-UYWIDEMCSA-N,C21H32O2,316.5,316.2402303,5.1,26.3,556,0,0,2,3,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0
"RESORUFIN, SODIUM SALT",034994-50-8,23693100,sodium 7-oxophenoxazin-3-olate,C1=CC2=C(C=C1[O-])OC3=CC(=O)C=CC3=N2.[Na+],"InChI=1S/C12H7NO3.Na/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9;/h1-6,14H;/q;+1/p-1",TYXBZZBYMSVFPR-UHFFFAOYSA-M,C12H6NNaO3,235.17,235.0245373,,61.7,427,0,0,4,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-Phenoxazin-3-one, 2-amino-",1916-59-2,72725,2-aminophenoxazin-3-one,C1=CC=C2C(=C1)N=C3C=C(C(=O)C=C3O2)N,"InChI=1S/C12H8N2O2/c13-7-5-9-12(6-10(7)15)16-11-4-2-1-3-8(11)14-9/h1-6H,13H2",RDJXPXHQENRCNG-UHFFFAOYSA-N,C12H8N2O2,212.2,212.0585775,1,64.7,434,0,1,4,0,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Beta-NICOTINAMIDE ADENINE DINUCLEOTIDE, REDUCED DIPOTASSIUM SALT",104809-32-7,16219751,,C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O.[K],"InChI=1S/C21H29N7O14P2.K/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33;/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25);",ZUPXXZAVUHFCNV-UHFFFAOYSA-N,C21H29KN7O14P2,704.5,704.0884791,,318,1230,0,8,19,11,45,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2'-DITHIODIPYRIDINE",002127-03-9,65093,2-(pyridin-2-yldisulfanyl)pyridine,C1=CC=NC(=C1)SSC2=CC=CC=N2,InChI=1S/C10H8N2S2/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10/h1-8H,HAXFWIACAGNFHA-UHFFFAOYSA-N,C10H8N2S2,220.3,220.0128906,2.6,76.4,148,0,0,4,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6,6'-DITHIODINICOTINIC ACID",015658-35-2,85040,6-[(5-carboxy-2-pyridinyl)disulfanyl]pyridine-3-carboxylic acid,C1=CC(=NC=C1C(=O)O)SSC2=NC=C(C=C2)C(=O)O,"InChI=1S/C12H8N2O4S2/c15-11(16)7-1-3-9(13-5-7)19-20-10-4-2-8(6-14-10)12(17)18/h1-6H,(H,15,16)(H,17,18)",GSASOFRDSIKDSN-UHFFFAOYSA-N,C12H8N2O4S2,308.3,307.9925491,1.6,151,335,0,2,8,5,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2'-DITHIOBIS(5-NITROPYRIDINE)",002127-10-8,16474,5-nitro-2-[(5-nitro-2-pyridinyl)disulfanyl]pyridine,C1=CC(=NC=C1[N+](=O)[O-])SSC2=NC=C(C=C2)[N+](=O)[O-],InChI=1S/C10H6N4O4S2/c15-13(16)7-1-3-9(11-5-7)19-20-10-4-2-8(6-12-10)14(17)18/h1-6H,ROUFCTKIILEETD-UHFFFAOYSA-N,C10H6N4O4S2,310.3,309.983047,2.2,168,328,0,0,8,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinaldinium, 1,1'-decamethylenebis(4-amino-, diiodide",2019-42-3,121295,1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine diiodide,CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.[I-].[I-],"InChI=1S/C30H38N4.2HI/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;;/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*1H",BTXPITUAZUILEM-UHFFFAOYSA-N,C30H40I2N4,710.5,710.13424,,59.8,532,0,2,4,11,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinolinium, 1,1'-(1,10-decanediyl)bis(4-amino-2-methyl-, chloride, hydrate (1:2:1)",1255077-34-9,6420004,1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine;dichloride;hydrate,CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.O.[Cl-].[Cl-],"InChI=1S/C30H38N4.2ClH.H2O/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;;;/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*1H;1H2",CZCJAGQJOXJBST-UHFFFAOYSA-N,C30H42Cl2N4O,545.6,544.2735674,,60.8,532,0,3,5,11,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TRIS(2,2'-BIPYRIDYL)RUTHENIUM(II) CHLORIDE HEXAHYDRATE",050525-27-4,172897992,tris(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hydrate,C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.O.[Cl-].[Ru+2],InChI=1S/3C10H8N2.ClH.H2O.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h3*1-8H;1H;1H2;/q;;;;;+2/p-1,VCIOOYXESNFDKX-UHFFFAOYSA-M,C30H26ClN6ORu+,623.1,623.090002,,78.3,442,1,1,8,0,39,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"TRIS(2,2'-BIPYRIDINE)RUTHENIUM(II)
HEXAFLUOROPHOSPHATE",060804-74-2,15198703,tris(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate,C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2],"InChI=1S/3C10H8N2.2F6P.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;/h3*1-8H;;;/q;;;2*-1;+2",KLDYQWXVZLHTKT-UHFFFAOYSA-N,C30H24F12N6P2Ru,859.5,860.038947,,77.3,183,0,0,20,3,51,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N-CYCLOPROPYL-1,3,5-TRIAZINE-2,4,6-TRIAMINE",066215-27-8,47866,"2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine",C1CC1NC2=NC(=NC(=N2)N)N,"InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)",LVQDKIWDGQRHTE-UHFFFAOYSA-N,C6H10N6,166.18,166.0966943,-0.2,103,148,0,3,6,2,12,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"N-cyclopropyl-N'-(1,1-dimethylethyl)-6-(methylthio)-1,3,5-Triazine-2,4-diamine",028159-98-0,91590,"2-N-tert-butyl-4-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine",CC(C)(C)NC1=NC(=NC(=N1)NC2CC2)SC,"InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)",HDHLIWCXDDZUFH-UHFFFAOYSA-N,C11H19N5S,253.37,253.1361168,3.9,88,251,0,2,6,5,17,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"s-Triazine, 2-chloro-4-cyclopropylamino-6-isopropylamino-",22936-86-3,24738,"6-chloro-4-N-cyclopropyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine",CC(C)NC1=NC(=NC(=N1)NC2CC2)Cl,"InChI=1S/C9H14ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6-3-4-6/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14,15)",OOHIAOSLOGDBCE-UHFFFAOYSA-N,C9H14ClN5,227.69,227.0937732,2.6,62.7,209,0,2,5,4,15,325 °F (OPEN CUP),,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,2'-DITHIO-BIS(1-AMINONAPHTHALENE)",038262-57-6,317663,2-[(1-aminonaphthalen-2-yl)disulfanyl]naphthalen-1-amine,C1=CC=C2C(=C1)C=CC(=C2N)SSC3=C(C4=CC=CC=C4C=C3)N,"InChI=1S/C20H16N2S2/c21-19-15-7-3-1-5-13(15)9-11-17(19)23-24-18-12-10-14-6-2-4-8-16(14)20(18)22/h1-12H,21-22H2",LCXOEQDSHXTPFA-UHFFFAOYSA-N,C20H16N2S2,348.5,348.0754909,5.2,103,380,0,2,4,3,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-HYDROXY-2-NAPHTHYL DISULFIDE,006088-51-3,22463,6-[(6-hydroxynaphthalen-2-yl)disulfanyl]naphthalen-2-ol,C1=CC2=C(C=CC(=C2)SSC3=CC4=C(C=C3)C=C(C=C4)O)C=C1O,"InChI=1S/C20H14O2S2/c21-17-5-1-15-11-19(7-3-13(15)9-17)23-24-20-8-4-14-10-18(22)6-2-16(14)12-20/h1-12,21-22H",AHXGXXJEEHFHDK-UHFFFAOYSA-N,C20H14O2S2,350.5,350.043522,5.8,91.1,380,0,2,4,3,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DISULFIDE, DI-2-NAPHTHALENYL",005586-15-2,79697,2-(naphthalen-2-yldisulfanyl)naphthalene,C1=CC=C2C=C(C=CC2=C1)SSC3=CC4=CC=CC=C4C=C3,InChI=1S/C20H14S2/c1-3-7-17-13-19(11-9-15(17)5-1)21-22-20-12-10-16-6-2-4-8-18(16)14-20/h1-14H,SUPMWVVVBKKGEL-UHFFFAOYSA-N,C20H14S2,318.5,318.0536928,6.5,50.6,322,0,0,2,3,22,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"(2,3-EPOXYPROPYL)BENZENE",004436-24-2,94826,2-benzyloxirane,C1C(O1)CC2=CC=CC=C2,"InChI=1S/C9H10O/c1-2-4-8(5-3-1)6-9-7-10-9/h1-5,9H,6-7H2",JFDMLXYWGLECEY-UHFFFAOYSA-N,C9H10O,134.17,134.0731649,1.9,12.5,105,0,0,1,2,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Toluene, p-(2,3-epoxypropyl)-",18458-01-0,155603,2-[(4-methylphenyl)methyl]oxirane,CC1=CC=C(C=C1)CC2CO2,"InChI=1S/C10H12O/c1-8-2-4-9(5-3-8)6-10-7-11-10/h2-5,10H,6-7H2,1H3",OAVRAFVFWOJGJO-UHFFFAOYSA-N,C10H12O,148.2,148.088815,2.2,12.5,125,0,0,1,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"Benzene, 1,2-dimethoxy-4-(2,3-epoxypropyl)-",27602-80-8,147174,"2-[(3,4-dimethoxyphenyl)methyl]oxirane",COC1=C(C=C(C=C1)CC2CO2)OC,"InChI=1S/C11H14O3/c1-12-10-4-3-8(5-9-7-14-9)6-11(10)13-2/h3-4,6,9H,5,7H2,1-2H3",IDIQAXMVNSQLSC-UHFFFAOYSA-N,C11H14O3,194.23,194.0942943,1.4,31,183,0,0,3,4,14,,,0,1,1,1,0,0,0,1,0,0,1,0,0,0,0,0,1,0,1,1
N1-(2-THIAZOLYL)SULFANILAMIDE,000072-14-0,5340,"4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide",C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2,"InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)",JNMRHUJNCSQMMB-UHFFFAOYSA-N,C9H9N3O2S2,255.3,255.0136189,0.1,122,320,0,2,6,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Sulfanilamide, N(sup 1)-(4-methyl-2-thiazolyl)-",515-59-3,68194,"4-amino-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide",CC1=CSC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N,"InChI=1S/C10H11N3O2S2/c1-7-6-16-10(12-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)",KJVQYDYPDFFJMP-UHFFFAOYSA-N,C10H11N3O2S2,269.3,269.029269,0.5,122,347,0,2,6,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CARDIOGENOL C HYDROCHLORIDE,671225-39-1,16078958,2-[[2-(4-methoxyanilino)pyrimidin-4-yl]amino]ethanol;hydrochloride,COC1=CC=C(C=C1)NC2=NC=CC(=N2)NCCO.Cl,"InChI=1S/C13H16N4O2.ClH/c1-19-11-4-2-10(3-5-11)16-13-15-7-6-12(17-13)14-8-9-18;/h2-7,18H,8-9H2,1H3,(H2,14,15,16,17);1H",QQAHYSZVJLHCNA-UHFFFAOYSA-N,C13H17ClN4O2,296.75,296.1040035,,79.3,247,0,4,6,6,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyrimidinamine, 4,6-dimethyl-N-phenyl-",53112-28-0,91650,"4,6-dimethyl-N-phenylpyrimidin-2-amine",CC1=CC(=NC(=N1)NC2=CC=CC=C2)C,"InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)",ZLIBICFPKPWGIZ-UHFFFAOYSA-N,C12H13N3,199.25,199.1109474,2.9,37.8,179,0,1,3,2,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"N,N'-DIOCTYL-3,4,9,10-PERYLENEDICARBOXIMIDE",078151-58-3,10722480,"7,18-dioctyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone",CCCCCCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CCCCCCCC)C1=O,"InChI=1S/C40H42N2O4/c1-3-5-7-9-11-13-23-41-37(43)29-19-15-25-27-17-21-31-36-32(40(46)42(39(31)45)24-14-12-10-8-6-4-2)22-18-28(34(27)36)26-16-20-30(38(41)44)35(29)33(25)26/h15-22H,3-14,23-24H2,1-2H3",YFGMQDNQVFJKTR-UHFFFAOYSA-N,C40H42N2O4,614.8,614.3144578,10.5,74.8,996,0,0,4,14,46,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N'-DIPENTYL-3,4,9,10-PERYLENEDICARBOXIMIDE",0076372-75-3,12662879,"7,18-dipentyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone",CCCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CCCCC)C1=O,"InChI=1S/C34H30N2O4/c1-3-5-7-17-35-31(37)23-13-9-19-21-11-15-25-30-26(34(40)36(33(25)39)18-8-6-4-2)16-12-22(28(21)30)20-10-14-24(32(35)38)29(23)27(19)20/h9-16H,3-8,17-18H2,1-2H3",JNZZCMNXYAOLTO-UHFFFAOYSA-N,C34H30N2O4,530.6,530.2205574,7.3,74.8,907,0,0,4,8,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-dimethyl-",5521-31-3,79657,"7,18-dimethyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone",CN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)C)C1=O,"InChI=1S/C26H14N2O4/c1-27-23(29)15-7-3-11-13-5-9-17-22-18(26(32)28(2)25(17)31)10-6-14(20(13)22)12-4-8-16(24(27)30)21(15)19(11)12/h3-10H,1-2H3",PJQYNUFEEZFYIS-UHFFFAOYSA-N,C26H14N2O4,418.4,418.0953569,3.7,74.8,789,0,0,4,0,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"4H-1,2,4-Triazole-3-thiol, 5-(p-chlorophenyl)-4-methyl-",29527-27-3,736519,"3-(4-chlorophenyl)-4-methyl-1H-1,2,4-triazole-5-thione",CN1C(=NNC1=S)C2=CC=C(C=C2)Cl,"InChI=1S/C9H8ClN3S/c1-13-8(11-12-9(13)14)6-2-4-7(10)5-3-6/h2-5H,1H3,(H,12,14)",HAWRMYDVPCGDJW-UHFFFAOYSA-N,C9H8ClN3S,225.7,225.0127461,2.3,59.7,271,0,1,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PEMETREXED DISODIUM HEPTAHYDRATE,357166-29-1,135564751,"disodium;(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate;heptahydrate",C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].O.O.O.O.O.O.O.[Na+].[Na+],"InChI=1S/C20H21N5O6.2Na.7H2O/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27;;;;;;;;;/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;;7*1H2/q;2*+1;;;;;;;/p-2/t13-;;;;;;;;;/m0........./s1",QJVSMHJWAOSBMD-MYXYZBIASA-L,C20H33N5Na2O13,597.5,597.1870247,,200,737,0,11,14,7,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4(1H,3H)-Quinazolinedione",000086-96-4,64048,"1H-quinazoline-2,4-dione",C1=CC=C2C(=C1)C(=O)NC(=O)N2,"InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)",SDQJTWBNWQABLE-UHFFFAOYSA-N,C8H6N2O2,162.15,162.0429274,0.8,58.2,227,0,2,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4(1H,3H)-Quinazolinedione, 1,3-dimethyl-",1013-01-0,101217,"1,3-dimethylquinazoline-2,4-dione",CN1C2=CC=CC=C2C(=O)N(C1=O)C,"InChI=1S/C10H10N2O2/c1-11-8-6-4-3-5-7(8)9(13)12(2)10(11)14/h3-6H,1-2H3",DHSVUPZSHZKQDA-UHFFFAOYSA-N,C10H10N2O2,190.2,190.0742276,0.8,40.6,277,0,0,2,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4(1H,3H)-Quinazolinedione, 3-methyl-",,344385,"3-methyl-1H-quinazoline-2,4-dione",CN1C(=O)C2=CC=CC=C2NC1=O,"InChI=1S/C9H8N2O2/c1-11-8(12)6-4-2-3-5-7(6)10-9(11)13/h2-5H,1H3,(H,10,13)",LFGZKCYBINPOTA-UHFFFAOYSA-N,C9H8N2O2,176.17,176.0585775,0.6,49.4,252,0,1,2,0,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-PYRAN-6-CARBOXYLIC ACID, 3,4-DIHYDRO-2,2-DIMETHYL-4-OXO-, BUTYL ESTER",000532-34-3,10760,"butyl 2,2-dimethyl-4-oxo-3H-pyran-6-carboxylate",CCCCOC(=O)C1=CC(=O)CC(O1)(C)C,"InChI=1S/C12H18O4/c1-4-5-6-15-11(14)10-7-9(13)8-12(2,3)16-10/h7H,4-6,8H2,1-3H3",OKIJSNGRQAOIGZ-UHFFFAOYSA-N,C12H18O4,226.27,226.1205091,1.9,52.6,315,0,0,4,5,16,,256-270 °C @ 760 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-Pyran-2-carboxylic acid, 5,6-dihydro-6,6-dimethyl-4-oxo-",80866-93-9,198592,"2,2-dimethyl-4-oxo-3H-pyran-6-carboxylic acid",CC1(CC(=O)C=C(O1)C(=O)O)C,"InChI=1S/C8H10O4/c1-8(2)4-5(9)3-6(12-8)7(10)11/h3H,4H2,1-2H3,(H,10,11)",ANKQOBXQEHGUJT-UHFFFAOYSA-N,C8H10O4,170.16,170.0579088,0.3,63.6,262,0,1,4,1,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl-",28564-83-2,119838,"3,5-dihydroxy-6-methyl-2,3-dihydropyran-4-one",CC1=C(C(=O)C(CO1)O)O,"InChI=1S/C6H8O4/c1-3-5(8)6(9)4(7)2-10-3/h4,7-8H,2H2,1H3",VOLMSPGWNYJHQQ-UHFFFAOYSA-N,C6H8O4,144.12,144.0422587,-0.4,66.8,194,0,2,4,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2(3H)-BENZOXAZOLETHIONE,002382-96-9,712377,"3H-1,3-benzoxazole-2-thione",C1=CC=C2C(=C1)NC(=S)O2,"InChI=1S/C7H5NOS/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,10)",FLFWJIBUZQARMD-UHFFFAOYSA-N,C7H5NOS,151.19,151.009185,1.8,53.4,160,0,1,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Benzoxazolethiol, 4-hydroxy-",73713-92-5,3033576,"4-hydroxy-3H-1,3-benzoxazole-2-thione",C1=CC(=C2C(=C1)OC(=S)N2)O,"InChI=1S/C7H5NO2S/c9-4-2-1-3-5-6(4)8-7(11)10-5/h1-3,9H,(H,8,11)",VNDCJUYCWFLPPM-UHFFFAOYSA-N,C7H5NO2S,167.19,167.0040996,1.4,73.6,185,0,2,3,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclopentaneacetic acid, 1-hydroxy-alpha-phenyl-, 2-(dimethylamino)ethyl ester,hydrochloride",5870-29-1,22162,2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate;hydrochloride,CN(C)CCOC(=O)C(C1=CC=CC=C1)C2(CCCC2)O.Cl,"InChI=1S/C17H25NO3.ClH/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17;/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3;1H",RHKZVMUBMXGOLL-UHFFFAOYSA-N,C17H26ClNO3,327.8,327.1601214,,49.8,331,0,2,4,7,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1
"Cyclopentylamine, 1-benzyl-, hydrochloride",20937-44-4,210090,1-benzylcyclopentan-1-amine;hydrochloride,C1CCC(C1)(CC2=CC=CC=C2)N.Cl,"InChI=1S/C12H17N.ClH/c13-12(8-4-5-9-12)10-11-6-2-1-3-7-11;/h1-3,6-7H,4-5,8-10,13H2;1H",IWRKAADQDXORJO-UHFFFAOYSA-N,C12H18ClN,211.73,211.1127773,,26,153,0,2,1,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbamic acid, methyl-, m-(1-methylbutyl)phenyl ester mixed with carbamic acid, methyl-,m-(1-ethylpropyl)phenyl ester",8065-36-9,69882442,tris((3-pentan-2-ylphenyl) N-methylcarbamate);(3-pentan-3-ylphenyl) N-methylcarbamate,CCCC(C)C1=CC(=CC=C1)OC(=O)NC.CCCC(C)C1=CC(=CC=C1)OC(=O)NC.CCCC(C)C1=CC(=CC=C1)OC(=O)NC.CCC(CC)C1=CC(=CC=C1)OC(=O)NC,"InChI=1S/4C13H19NO2/c3*1-4-6-10(2)11-7-5-8-12(9-11)16-13(15)14-3;1-4-10(5-2)11-7-6-8-12(9-11)16-13(15)14-3/h3*5,7-10H,4,6H2,1-3H3,(H,14,15);6-10H,4-5H2,1-3H3,(H,14,15)",JSEMXSUWQFPQMX-UHFFFAOYSA-N,C52H76N4O8,885.2,884.5663154,,153,432,0,4,8,20,64,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Picramic acid, zirconium salt",63868-82-6,11979385,"tetrakis(2-amino-4,6-dinitrophenolate);zirconium(4+)",C1=C(C=C(C(=C1N)[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1N)[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1N)[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1N)[O-])[N+](=O)[O-])[N+](=O)[O-].[Zr+4],"InChI=1S/4C6H5N3O5.Zr/c4*7-4-1-3(8(11)12)2-5(6(4)10)9(13)14;/h4*1-2,10H,7H2;/q;;;;+4/p-4",SSGTYYSNZOGONL-UHFFFAOYSA-J,C24H16N12O20Zr,883.7,881.96508,,563,247,0,4,24,0,57,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"PIPERIDINE, 4-(PHENYLMETHYL)-",031252-42-3,31738,4-benzylpiperidine,C1CNCCC1CC2=CC=CC=C2,"InChI=1S/C12H17N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5,12-13H,6-10H2",ABGXADJDTPFFSZ-UHFFFAOYSA-N,C12H17N,175.27,175.1360995,2.5,12,132,0,1,1,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Piperidinol, 4-benzyl-",51135-96-7,98152,4-benzylpiperidin-4-ol,C1CNCCC1(CC2=CC=CC=C2)O,"InChI=1S/C12H17NO/c14-12(6-8-13-9-7-12)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2",KJZBZOFESQSBCV-UHFFFAOYSA-N,C12H17NO,191.27,191.1310142,1.4,32.3,169,0,2,2,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AI3-37157,77251-48-0,760213,1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one,CC(C)C(=O)N1CCC(CC1)CC2=CC=CC=C2,"InChI=1S/C16H23NO/c1-13(2)16(18)17-10-8-15(9-11-17)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3",VACPZZBFCLJGKU-UHFFFAOYSA-N,C16H23NO,245.36,245.1779644,3.5,20.3,260,0,0,1,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,5-NAPHTHALENEDISULFONIC ACID, 3-[[2-(ACETYLAMINO)-4-[(4-AMINO-6-CHLORO-1,3,5",004988-30-1,78685,"disodium;3-[[2-acetamido-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]naphthalene-1,5-disulfonate",CC(=O)NC1=C(C=CC(=C1)NC2=NC(=NC(=N2)N)Cl)N=NC3=CC4=C(C=CC=C4S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C21H17ClN8O7S2.2Na/c1-10(31)24-16-8-11(25-21-27-19(22)26-20(23)28-21)5-6-15(16)30-29-12-7-14-13(18(9-12)39(35,36)37)3-2-4-17(14)38(32,33)34;;/h2-9H,1H3,(H,24,31)(H,32,33,34)(H,35,36,37)(H3,23,25,26,27,28);;/q;2*+1/p-2",DIGXDNVEYLOEOT-UHFFFAOYSA-L,C21H15ClN8Na2O7S2,637,635.9989035,,262,1090,0,3,14,5,41,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PYRIDINIUM, 1-METHOXY-4-PHENYL-, TETRAFLUOROBORATE(1-)",063123-42-2,113025,1-methoxy-4-phenylpyridin-1-ium tetrafluoroborate,[B-](F)(F)(F)F.CO[N+]1=CC=C(C=C1)C2=CC=CC=C2,"InChI=1S/C12H12NO.BF4/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;2-1(3,4)5/h2-10H,1H3;/q+1;-1",MAORPXVTJYMPHC-UHFFFAOYSA-N,C12H12BF4NO,273.04,273.0948068,,13.1,177,0,0,6,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridinium, 1-methyl-4-phenyl-, iodide",36913-39-0,10924457,1-methyl-4-phenylpyridin-1-ium iodide,C[N+]1=CC=C(C=C1)C2=CC=CC=C2.[I-],"InChI=1S/C12H12N.HI/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;/h2-10H,1H3;1H/q+1;/p-1",RFDFRDXIIKROAI-UHFFFAOYSA-M,C12H12IN,297.13,297.00145,,3.9,141,0,0,1,1,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridinium, 1-ethyl-4-phenyl-, iodide",39795-01-2,217874,1-ethyl-4-phenylpyridin-1-ium iodide,CC[N+]1=CC=C(C=C1)C2=CC=CC=C2.[I-],"InChI=1S/C13H14N.HI/c1-2-14-10-8-13(9-11-14)12-6-4-3-5-7-12;/h3-11H,2H2,1H3;1H/q+1;/p-1",PJJJNBJUCAETAB-UHFFFAOYSA-M,C13H14IN,311.16,311.0171,,3.9,153,0,0,1,2,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
SILIBININ,022888-70-6,31553,"(2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one",COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O,"InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1",SEBFKMXJBCUCAI-HKTJVKLFSA-N,C25H22O10,482.4,482.1212969,2.4,155,750,0,5,10,4,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butanedioic acid, mono((6-(3-(3-carboxy-1-oxopropoxy)-3,4-dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl)-2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-1,4-benzodioxin-2-yl)methyl) ester,disodium salt, (2R-(2-alpha,3-beta,6(2R*,3R*)))-",55254-34-7,150708,"disodium;4-[[(2R,3R)-6-[(2R,3R)-3-(3-carboxylatopropanoyloxy)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methoxy]-4-oxobutanoate",COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)OC(=O)CCC(=O)[O-])COC(=O)CCC(=O)[O-])O.[Na+].[Na+],"InChI=1S/C33H30O16.2Na/c1-44-21-10-15(2-4-18(21)35)31-24(14-45-27(41)8-6-25(37)38)46-20-5-3-16(11-22(20)47-31)32-33(49-28(42)9-7-26(39)40)30(43)29-19(36)12-17(34)13-23(29)48-32;;/h2-5,10-13,24,31-36H,6-9,14H2,1H3,(H,37,38)(H,39,40);;/q;2*+1/p-2/t24-,31-,32-,33+;;/m1../s1",YIDLJQVKFQDISS-DSGKQNAUSA-L,C33H28Na2O16,726.5,726.1172734,,248,1200,0,3,16,12,51,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ACRIDINE ORANGE 10-NONYL BROMIDE,075168-11-5,2762576,"3-N,3-N,6-N,6-N-tetramethyl-10-nonylacridin-10-ium-3,6-diamine bromide",CCCCCCCCC[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N(C)C)N(C)C.[Br-],"InChI=1S/C26H38N3.BrH/c1-6-7-8-9-10-11-12-17-29-25-19-23(27(2)3)15-13-21(25)18-22-14-16-24(28(4)5)20-26(22)29;/h13-16,18-20H,6-12,17H2,1-5H3;1H/q+1;/p-1",DRBHTUDHPPBMCD-UHFFFAOYSA-M,C26H38BrN3,472.5,471.22491,,10.4,431,0,0,3,10,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acridinium, 3,6-diamino-2,7,10-trimethyl-, chloride",40451-58-9,38475,"2,7,10-trimethylacridin-10-ium-3,6-diamine chloride",CC1=CC2=CC3=C(C=C(C(=C3)C)N)[N+](=C2C=C1N)C.[Cl-],"InChI=1S/C16H17N3.ClH/c1-9-4-11-6-12-5-10(2)14(18)8-16(12)19(3)15(11)7-13(9)17;/h4-8H,1-3H3,(H3,17,18);1H",ADAOOVVYDLASGJ-UHFFFAOYSA-N,C16H18ClN3,287.79,287.1189253,,55.9,302,0,2,3,0,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ACCENT,111991-09-4,73281,"2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide",CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC,"InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)",RTCOGUMHFFWOJV-UHFFFAOYSA-N,C15H18N6O6S,410.4,410.1008535,0.6,161,642,0,2,9,6,28,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-Pyridinesulfonamide, N-(((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)-3-(trifluoromethyl)-",104040-78-0,93539,"1-(4,6-dimethoxypyrimidin-2-yl)-3-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]urea",COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC=N2)C(F)(F)F)OC,"InChI=1S/C13H12F3N5O5S/c1-25-8-6-9(26-2)19-11(18-8)20-12(22)21-27(23,24)10-7(13(14,15)16)4-3-5-17-10/h3-6H,1-2H3,(H2,18,19,20,21,22)",HWATZEJQIXKWQS-UHFFFAOYSA-N,C13H12F3N5O5S,407.33,407.0511242,2,141,602,0,2,11,5,27,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TYLOSIN TARTRATE,074610-55-2,60196281,"(2R,3R)-2,3-dihydroxybutanedioic acid;2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde",CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C46H77NO17.C4H6O6/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35;5-1(3(7)8)2(6)4(9)10/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3;1-2,5-6H,(H,7,8)(H,9,10)/b15-14+,23-18+;/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-;1-,2-/m11/s1",ICVKYYINQHWDLM-KBEWXLTPSA-N,C50H83NO23,1066.2,1065.535588,,354,1700,0,9,24,16,74,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
Tylosin,1401-69-0,5280440,"2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde",CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC,"InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1",WBPYTXDJUQJLPQ-VMXQISHHSA-N,C46H77NO17,916.1,915.51915,1,239,1560,0,5,18,13,64,,,1,0,1,0,0,1,1,1,0,0,0,0,0,1,1,0,0,1,1,0
Tylosin phosphate (salt),1405-53-4,6440844,"2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde;phosphoric acid",CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC.OP(=O)(O)O,"InChI=1S/C46H77NO17.H3O4P/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35;1-5(2,3)4/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3;(H3,1,2,3,4)/b15-14+,23-18+;/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-;/m1./s1",NBOODGNJLRRJNA-IAGPQMRQSA-N,C46H80NO21P,1014.1,1013.496046,,316,1610,0,8,22,13,69,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,1,0,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((aminocarbonyl)oxy)",056238-63-2,23670318,"sodium (6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",CO/N=C(/C1=CC=CO1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)[O-].[Na+],"InChI=1S/C16H16N4O8S.Na/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20;/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24);/q;+1/p-1/b19-9-;/t10-,14-;/m1./s1",URDOHUPGIOGTKV-JTBFTWTJSA-M,C16H15N4NaO8S,446.4,446.0508289,,202,804,0,2,10,8,30,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((aminocarbonyl)oxy)",064544-07-6,6321416,"1-acetyloxyethyl (6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",CC(OC(=O)C)OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/C3=CC=CO3)COC(=O)N,"InChI=1S/C20H22N4O10S/c1-9(25)33-10(2)34-19(28)15-11(7-32-20(21)29)8-35-18-14(17(27)24(15)18)22-16(26)13(23-30-3)12-5-4-6-31-12/h4-6,10,14,18H,7-8H2,1-3H3,(H2,21,29)(H,22,26)/b23-13-/t10?,14-,18-/m1/s1",KEJCWVGMRLCZQQ-YJBYXUATSA-N,C20H22N4O10S,510.5,510.1056641,0.9,214,968,0,2,12,12,35,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
COCARBOXYLASE,000154-87-0,9068,"2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate chloride",CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O.[Cl-],"InChI=1S/C12H18N4O7P2S.ClH/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21);1H",YXVCLPJQTZXJLH-UHFFFAOYSA-N,C12H19ClN4O7P2S,460.77,460.0138218,,197,568,0,4,12,8,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
THIAMINE HYDROCHLORIDE,000067-03-8,6202,"2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride",CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-],"InChI=1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1",DPJRMOMPQZCRJU-UHFFFAOYSA-M,C12H18Cl2N4OS,337.3,336.0578378,,104,268,0,3,6,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
THIAMINE MONOPHOSPHATE CHLORIDE DIHYDRATE,273724-21-3,91886578,"2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate;chloride;dihydrate",CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O.O.O.[Cl-],"InChI=1S/C12H17N4O4PS.ClH.2H2O/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13;;;/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19);1H;2*1H2",FANVXQCOBPOPEG-UHFFFAOYSA-N,C12H22ClN4O6PS,416.82,416.0686203,,153,413,0,5,11,6,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Sulfanilamide, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-",94-19-9,7181,"4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide",CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N,"InChI=1S/C10H12N4O2S2/c1-2-9-12-13-10(17-9)14-18(15,16)8-5-3-7(11)4-6-8/h3-6H,2,11H2,1H3,(H,13,14)",SVYBEBLNQGDRHF-UHFFFAOYSA-N,C10H12N4O2S2,284.4,284.040168,1,135,363,0,2,7,4,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenesulfonamide, 4-amino-N-(5-(1-methylethyl)-1,3,4-thiadiazol-2-yl)-",80-34-2,66458,"4-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide",CC(C)C1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N,"InChI=1S/C11H14N4O2S2/c1-7(2)10-13-14-11(18-10)15-19(16,17)9-5-3-8(12)4-6-9/h3-7H,12H2,1-2H3,(H,14,15)",OPIGMRDAPFQALU-UHFFFAOYSA-N,C11H14N4O2S2,298.4,298.0558181,1.3,135,388,0,2,7,4,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANECARBOXYLIC ACID, 4-PROPYL-, 4-ETHOXYPHENYL ESTER, TRANS-",067589-39-3,106716,(4-ethoxyphenyl) 4-propylcyclohexane-1-carboxylate,CCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)OCC,"InChI=1S/C18H26O3/c1-3-5-14-6-8-15(9-7-14)18(19)21-17-12-10-16(11-13-17)20-4-2/h10-15H,3-9H2,1-2H3",DCCOHKNJQHHEHV-UHFFFAOYSA-N,C18H26O3,290.4,290.1881947,5.4,35.5,300,0,0,3,7,21,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"CYCLOHEXANECARBOXYLIC ACID, 4-PENTYL-, 4-ETHOXYPHENYL ESTER",067679-63-4,105551,(4-ethoxyphenyl) 4-pentylcyclohexane-1-carboxylate,CCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)OCC,"InChI=1S/C20H30O3/c1-3-5-6-7-16-8-10-17(11-9-16)20(21)23-19-14-12-18(13-15-19)22-4-2/h12-17H,3-11H2,1-2H3",MQMODHKFYZEGRC-UHFFFAOYSA-N,C20H30O3,318.4,318.2194948,6.5,35.5,326,0,0,3,9,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"CYCLOHEXANECARBOXYLIC ACID, 4-PENTYL-, 4-METHOXYPHENYL ESTER, TRANS-",067589-52-0,105460,(4-methoxyphenyl) 4-pentylcyclohexane-1-carboxylate,CCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)OC,"InChI=1S/C19H28O3/c1-3-4-5-6-15-7-9-16(10-8-15)19(20)22-18-13-11-17(21-2)12-14-18/h11-16H,3-10H2,1-2H3",HJIVFZUPTYADSP-UHFFFAOYSA-N,C19H28O3,304.4,304.2038448,6.1,35.5,313,0,0,3,8,22,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 5-[[4-CHLORO-6-(ETHYLPHENYLAMINO)-1,3,5-TRIAZI",072829-25-5,166333,"trisodium;5-[[4-chloro-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",CCN(C1=CC=CC=C1)C2=NC(=NC(=N2)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=C4O)N=NC5=CC=CC=C5S(=O)(=O)[O-])S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+],"InChI=1S/C27H22ClN7O10S3.3Na/c1-2-35(16-8-4-3-5-9-16)27-31-25(28)30-26(32-27)29-19-14-17(46(37,38)39)12-15-13-21(48(43,44)45)23(24(36)22(15)19)34-33-18-10-6-7-11-20(18)47(40,41)42;;;/h3-14,36H,2H2,1H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,29,30,31,32);;;/q;3*+1/p-3",QJCOOZSSWORRPC-UHFFFAOYSA-K,C27H19ClN7Na3O10S3,802.1,800.9737139,,296,1410,0,2,17,7,51,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 5-[[4-CHLORO-6-[(3-SULFOPHENYL)AMINO]-1,3,5-TR",078952-61-1,166507,"tetrasodium;5-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate",C1=CC(=CC(=C1)S(=O)(=O)[O-])NC2=NC(=NC(=N2)Cl)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=C4O)N=NC5=CC=C(C=C5)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C27H22ClN7O16S5.4Na/c28-25-31-26(29-16-2-1-3-18(12-16)53(39,40)41)33-27(32-25)30-20-13-19(54(42,43)44)10-14-11-21(55(45,46)47)23(24(36)22(14)20)35-34-15-4-6-17(7-5-15)52(37,38)9-8-51-56(48,49)50;;;;/h1-7,10-13,36H,8-9H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,29,30,31,32,33);;;;/q;4*+1/p-4",ZRXRACPUMHCGPL-UHFFFAOYSA-J,C27H18ClN7Na4O16S5,984.2,982.8692882,,422,1890,0,3,23,10,60,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"COBALTATE(4-), BIS[2-[[[3-[[1-[[(2-CHLOROPHENYL)AMINO]CARBONYL]-2-OXOPROPYL]AZ",070851-34-2,136661875,tetrasodium;bis(2-[[3-[[(E)-1-(2-chloroanilino)-3-oxido-1-oxobut-2-en-2-yl]diazenyl]-4-hydroxyphenyl]sulfonylamino]benzoate);cobalt,C/C(=C(\N=NC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])O)/C(=O)NC3=CC=CC=C3Cl)/[O-].C/C(=C(\N=NC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)[O-])O)/C(=O)NC3=CC=CC=C3Cl)/[O-].[Na+].[Na+].[Na+].[Na+].[Co],"InChI=1S/2C23H19ClN4O7S.Co.4Na/c2*1-13(29)21(22(31)25-18-9-5-3-7-16(18)24)27-26-19-12-14(10-11-20(19)30)36(34,35)28-17-8-4-2-6-15(17)23(32)33;;;;;/h2*2-12,28-30H,1H3,(H,25,31)(H,32,33);;;;;/q;;;4*+1/p-4/b2*21-13+,27-26?;;;;;",RFLDROZGNVBELE-MRRDSCFCSA-J,C46H34Cl2CoN8Na4O14S2,1208.7,1206.993566,,384,2090,0,6,20,14,77,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"COBALTATE(1-), BIS[2-[[2-HYDROXY-5-[(PHENYLAMINO)SULFONYL]PHENYL]AZO]-3-OXO-N-",071562-83-9,163360236,sodium;cobalt;bis(3-hydroxy-2-[[2-hydroxy-5-(phenylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide),CC(=C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3)O)O.CC(=C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3)O)O.[Na+].[Co],"InChI=1S/2C22H20N4O5S.Co.Na/c2*1-15(27)21(22(29)23-16-8-4-2-5-9-16)25-24-19-14-18(12-13-20(19)28)32(30,31)26-17-10-6-3-7-11-17;;/h2*2-14,26-28H,1H3,(H,23,29);;/q;;;+1",RZZOLBLWHAVTOG-UHFFFAOYSA-N,C44H40CoN8NaO10S2+,986.9,986.153845,,298,796,1,8,16,14,66,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"COBALTATE(3-), BIS[2-[[[4-HYDROXY-3-[[2-OXO-1-[(PHENYLAMINO)CARBONYL]PROPYL]AZ",073018-84-5,146679077,sodium;bis(2-[[3-[(1-anilino-3-oxido-1-oxobut-2-en-2-yl)diazenyl]-4-oxidophenyl]sulfonylamino]benzoate);cobalt(3+);hydron,[H+].[H+].CC(=C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)[O-])[O-])[O-].CC(=C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)[O-])[O-])[O-].[Na+].[Co+3],"InChI=1S/2C23H20N4O7S.Co.Na/c2*1-14(28)21(22(30)24-15-7-3-2-4-8-15)26-25-19-13-16(11-12-20(19)29)35(33,34)27-18-10-6-5-9-17(18)23(31)32;;/h2*2-13,27-29H,1H3,(H,24,30)(H,31,32);;/q;;+3;+1/p-4",MYSXGDMSBOKSTG-UHFFFAOYSA-J,C46H36CoN8NaO14S2,1070.9,1070.102203,,389,919,0,6,20,14,72,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"COBALTATE(1-), BIS[2,4-DIHYDRO-4-[(2-HYDROXY-5-NITROPHENYL)AZO]-5-METHYL-2-PHE",071839-88-8,156070,"sodium;cobalt(3+);4-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-methyl-2-phenylpyrazol-3-one;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate",CC1=NN(C(=C1N=NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=O)C1=NN=C2C=C(C=CC2=O)N([O-])[O-])C3=CC=CC=C3.[Na+].[Co+3],"InChI=1S/C16H13N5O4.C16H11N5O4.Co.Na/c2*1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(21(24)25)7-8-14(13)22;;/h2-9,22-23H,1H3;2-9H,1H3;;/q;-2;+3;+1/p-2",AESZOXDSTKHJPN-UHFFFAOYSA-L,C32H22CoN10NaO8,756.5,756.085171,,258,493,0,0,15,5,52,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"CHROMATE(3-), BIS[3-[(4,5-DIHYDRO-3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4-YL)AZO]",073507-64-9,175487,"sodium;chromium(3+);5-(dioxidoamino)-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinylidene]-4-oxocyclohexa-1,5-diene-1-sulfonate;hydron;3-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-5-nitro-4-oxidobenzenesulfonate",[H+].[H+].CC1=NN(C(=C1N=NC2=C(C(=CC(=C2)S(=O)(=O)[O-])[N+](=O)[O-])[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=O)C1=NN=C2C=C(C=C(C2=O)N([O-])[O-])S(=O)(=O)[O-])C3=CC=CC=C3.[Na+].[Cr+3],"InChI=1S/C16H13N5O7S.C16H11N5O7S.Cr.Na/c2*1-9-14(16(23)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(29(26,27)28)8-13(15(12)22)21(24)25;;/h2-8,22-23H,1H3,(H,26,27,28);2-8H,1H3,(H,26,27,28);;/q;-2;+3;+1/p-2",NCQIJCAMPYGCRD-UHFFFAOYSA-L,C32H22CrN10NaO14S2,909.7,909.006112,,389,705,0,2,21,5,60,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"CHROMATE(2-), [2,4-DIHYDRO-4-[(2-HYDROXY-5-NITROPHENYL)AZO]-5-METHYL-2-PHENYL-",056819-40-0,162803,"disodium;chromium(3+);3-(dioxidoamino)-5-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinylidene]-6-oxocyclohexa-1,3-diene-1-sulfonate;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate",CC1=NN(C(=C1N=NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=O)C1=NN=C2C=C(C=C(C2=O)S(=O)(=O)[O-])N([O-])[O-])C3=CC=CC=C3.[Na+].[Na+].[Cr+3],"InChI=1S/C16H11N5O7S.C16H13N5O4.Cr.2Na/c1-9-14(16(23)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(21(24)25)8-13(15(12)22)29(26,27)28;1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(21(24)25)7-8-14(13)22;;;/h2-8H,1H3,(H,26,27,28);2-9,22-23H,1H3;;;/q-2;;+3;2*+1/p-3",VGQNMWOGTRECAN-UHFFFAOYSA-K,C32H21CrN10Na2O11S,851.6,851.031241,,324,1480,0,0,18,5,57,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"COBALTATE(1-), BIS[1-[(2-HYDROXY-4-NITROPHENYL)AZO]-2-NAPHTHALENOLATO(2-)]-, S",064611-71-8,163055,"sodium;cobalt(3+);1-[[4-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-2-one;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate",C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)[N+](=O)[O-])[O-])[O-].C1=CC=C2C(=C1)C=CC(=O)C2=NN=C3C=CC(=CC3=O)N([O-])[O-].[Na+].[Co+3],"InChI=1S/C16H11N3O4.C16H9N3O4.Co.Na/c2*20-14-8-5-10-3-1-2-4-12(10)16(14)18-17-13-7-6-11(19(22)23)9-15(13)21;;/h1-9,20-21H;1-9H;;/q;-2;+3;+1/p-2",AIXNCNPJUZLCAI-UHFFFAOYSA-L,C32H18CoN6NaO8,696.4,696.041574,,225,453,0,0,13,3,48,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
FLUORESCENT BRIGHTENER,004404-43-7,43031,"5-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid",C1=CC=C(C=C1)NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N(CCO)CCO)S(=O)(=O)O)S(=O)(=O)O,"InChI=1S/C40H44N12O10S2/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50)",CNGYZEMWVAWWOB-UHFFFAOYSA-N,C40H44N12O10S2,917,916.274478,3.5,338,1490,0,10,22,22,64,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,2'-Stilbenedisulfonic acid, 4,4'-bis((4-anilino-6-((2-hydroxyethyl)methylamino)-s-triazin-2-yl)amino)-, disodium salt",13863-31-5,6433586,"disodium;5-[[4-anilino-6-[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate",CN(CCO)C1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)N(C)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=CC=CC=C6.[Na+].[Na+],"InChI=1S/C38H40N12O8S2.2Na/c1-49(19-21-51)37-45-33(39-27-9-5-3-6-10-27)43-35(47-37)41-29-17-15-25(31(23-29)59(53,54)55)13-14-26-16-18-30(24-32(26)60(56,57)58)42-36-44-34(40-28-11-7-4-8-12-28)46-38(48-36)50(2)20-22-52;;/h3-18,23-24,51-52H,19-22H2,1-2H3,(H,53,54,55)(H,56,57,58)(H2,39,41,43,45,47)(H2,40,42,44,46,48);;/q;2*+1/p-2/b14-13+;;",VVYVUOFMPAXVCH-QDBORUFSSA-L,C38H38N12Na2O8S2,900.9,900.2172371,,304,1410,0,6,20,16,62,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,2'-Stilbenedisulfonic acid, 4,4'-bis((4-anilino-6-methoxy-s-triazin-2-yl)amino)-,disodium salt",3426-43-5,6444191,"disodium;5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate",COC1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)OC)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=CC=CC=C6.[Na+].[Na+],"InChI=1S/C34H30N10O8S2.2Na/c1-51-33-41-29(35-23-9-5-3-6-10-23)39-31(43-33)37-25-17-15-21(27(19-25)53(45,46)47)13-14-22-16-18-26(20-28(22)54(48,49)50)38-32-40-30(42-34(44-32)52-2)36-24-11-7-4-8-12-24;;/h3-20H,1-2H3,(H,45,46,47)(H,48,49,50)(H2,35,37,39,41,43)(H2,36,38,40,42,44);;/q;2*+1/p-2/b14-13+;;",BDYOOAPDMVGPIQ-QDBORUFSSA-L,C34H28N10Na2O8S2,814.8,814.1328388,,275,1280,0,4,18,12,56,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-8-carboxaldehyde, 1,2-dihydro-5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-, 21-acetate",13292-22-3,6438444,"[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26-formyl-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate",C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=O)/C,"InChI=1S/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,24-,29-,30+,34+,38-/m0/s1",BBNQHOMJRFAQBN-UPZFVJMDSA-N,C38H47NO13,725.8,725.3047406,4.9,218,1410,0,6,13,4,52,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENOL, 2-AMINOBENZOATE",063449-68-3,62217,naphthalen-2-yl 2-aminobenzoate,C1=CC=C2C=C(C=CC2=C1)OC(=O)C3=CC=CC=C3N,"InChI=1S/C17H13NO2/c18-16-8-4-3-7-15(16)17(19)20-14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,18H2",YJFCKXVXEKHSEC-UHFFFAOYSA-N,C17H13NO2,263.29,263.0946287,4.5,52.3,344,0,1,3,3,20,,340.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 4-((aminoiminomethyl)amino)-, 6-(aminoiminomethyl)-2-naphthaleny",082956-11-4,5311180,(6-carbamimidoylnaphthalen-2-yl) 4-(diaminomethylideneamino)benzoate;methanesulfonic acid,CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)N=C(N)N,"InChI=1S/C19H17N5O2.2CH4O3S/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23;2*1-5(2,3)4/h1-10H,(H3,20,21)(H4,22,23,24);2*1H3,(H,2,3,4)",SRXKIZXIRHMPFW-UHFFFAOYSA-N,C21H25N5O8S2,539.6,539.1144551,,266,645,0,6,10,5,36,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
2-NAPHTHYL BENZOATE,000093-44-7,66734,naphthalen-2-yl benzoate,C1=CC=C(C=C1)C(=O)OC2=CC3=CC=CC=C3C=C2,InChI=1S/C17H12O2/c18-17(14-7-2-1-3-8-14)19-16-11-10-13-6-4-5-9-15(13)12-16/h1-12H,DWJIJRSTYFPKGD-UHFFFAOYSA-N,C17H12O2,248.27,248.0837296,4.4,26.3,306,0,0,2,3,19,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-(((((3-(me",042057-22-7,23685177,"sodium (2S,5R,6R)-3,3-dimethyl-6-[[(2R)-2-[(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)N4CCN(C4=O)S(=O)(=O)C)C(=O)[O-])C.[Na+],"InChI=1S/C21H25N5O8S2.Na/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34;/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30);/q;+1/p-1/t12-,13-,14+,17-;/m1./s1",GTGQRSIMEUWHPA-ZBJAFUORSA-M,C21H24N5NaO8S2,561.6,561.0963994,,210,1090,0,2,9,6,37,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((((2-oxo-1-imidazolidinyl)carbonyl)amino)phenylacetyl)amino)-, monosodium salt,(2S-(2-alpha,5-alpha,6-beta(S*)))-",37091-65-9,23685176,"sodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)N4CCNC4=O)C(=O)[O-])C.[Na+],"InChI=1S/C20H23N5O6S.Na/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30;/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29);/q;+1/p-1/t11-,12-,13+,16-;/m1./s1",UVOCNBWUHNCKJM-XFAPPKAWSA-M,C20H22N5NaO6S,483.5,483.1188489,,176,851,0,3,7,5,33,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-(((2R)-(((3-(methylsulfonyl)-2-oxo-1-imidazolidinyl)carbonyl)amino)phenylacetyl)amino)-7-oxo-, (2S,5R,6R)-",51481-65-3,656511,"(2S,5R,6R)-3,3-dimethyl-6-[[(2R)-2-[(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)N4CCN(C4=O)S(=O)(=O)C)C(=O)O)C,"InChI=1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)/t12-,13-,14+,17-/m1/s1",YPBATNHYBCGSSN-VWPFQQQWSA-N,C21H25N5O8S2,539.6,539.1144551,-0.2,207,1080,0,3,9,6,36,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"2-Picolinium, 1-((4-amino-2-propyl-5-pyrimidinyl)methyl)-, chloride, monohydrochloride",137-88-2,8732,5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine;chloride;hydrochloride,CCCC1=NC=C(C(=N1)N)C[N+]2=CC=CC=C2C.Cl.[Cl-],"InChI=1S/C14H19N4.2ClH/c1-3-6-13-16-9-12(14(15)17-13)10-18-8-5-4-7-11(18)2;;/h4-5,7-9H,3,6,10H2,1-2H3,(H2,15,16,17);2*1H/q+1;;/p-1",PJBQYZZKGNOKNJ-UHFFFAOYSA-M,C14H20Cl2N4,315.2,314.106502,,55.7,246,0,2,4,4,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Pyridinium, 1-((4-amino-2-methyl-5-pyrimidinyl)methyl)-3-(2-hydroxyethyl)-2-methyl-, bromide, monohydrobromide",534-64-5,10802,2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium-3-yl]ethanol;bromide;hydrobromide,CC1=C(C=CC=[N+]1CC2=CN=C(N=C2N)C)CCO.Br.[Br-],"InChI=1S/C14H19N4O.2BrH/c1-10-12(5-7-19)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15;;/h3-4,6,8,19H,5,7,9H2,1-2H3,(H2,15,16,17);2*1H/q+1;;/p-1",DMVBWVASDWGFNH-UHFFFAOYSA-M,C14H20Br2N4O,420.14,419.99834,,75.9,276,0,3,5,4,21,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BICYCLO[2.2.1]HEPTAN-2-ONE, 1,7,7-TRIMETHYL-3-(PHENYLMETHYLENE)-",015087-24-8,27021,"3-benzylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",CC1(C2CCC1(C(=O)C2=CC3=CC=CC=C3)C)C,"InChI=1S/C17H20O/c1-16(2)14-9-10-17(16,3)15(18)13(14)11-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3",OIQXFRANQVWXJF-UHFFFAOYSA-N,C17H20O,240.34,240.1514153,4.1,17.1,398,0,0,1,1,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-3-((4-methylphenyl)methylene)-",36861-47-9,37563,"1,7,7-trimethyl-3-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-one",CC1=CC=C(C=C1)C=C2C3CCC(C2=O)(C3(C)C)C,"InChI=1S/C18H22O/c1-12-5-7-13(8-6-12)11-14-15-9-10-18(4,16(14)19)17(15,2)3/h5-8,11,15H,9-10H2,1-4H3",HEOCBCNFKCOKBX-UHFFFAOYSA-N,C18H22O,254.4,254.1670653,4.5,17.1,423,0,0,1,1,19,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,4-Oxadiazol-2(3H)-one, 3-(2,4-dichloro-5-(2-propynyloxy)phenyl)-5-(1,1-dim",039807-15-3,94498,"5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one",CC(C)(C)C1=NN(C(=O)O1)C2=CC(=C(C=C2Cl)Cl)OCC#C,"InChI=1S/C15H14Cl2N2O3/c1-5-6-21-12-8-11(9(16)7-10(12)17)19-14(20)22-13(18-19)15(2,3)4/h1,7-8H,6H2,2-4H3",DVOODWOZJVJKQR-UHFFFAOYSA-N,C15H14Cl2N2O3,341.2,340.0381477,4.1,51.1,521,0,0,4,4,22,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
OXADIAZON,019666-30-9,29732,"5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one",CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl,"InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3",CHNUNORXWHYHNE-UHFFFAOYSA-N,C15H18Cl2N2O3,345.2,344.0694478,4.8,51.1,462,0,0,4,4,22,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 3-(4-(2-tert-butyl-5-oxo-delta(sup 2)-1,3,4-oxadiazolin-4-yl)-3-chlorophenyl)-1,1-dimethyl-",34205-21-5,91612,"3-[4-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)-3-chlorophenyl]-1,1-dimethylurea",CC(C)(C)C1=NN(C(=O)O1)C2=C(C=C(C=C2)NC(=O)N(C)C)Cl,"InChI=1S/C15H19ClN4O3/c1-15(2,3)12-18-20(14(22)23-12)11-7-6-9(8-10(11)16)17-13(21)19(4)5/h6-8H,1-5H3,(H,17,21)",DHWRNDJOGMTCPB-UHFFFAOYSA-N,C15H19ClN4O3,338.79,338.1145682,2.6,74.2,515,0,1,4,3,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4(1H)-QUINAZOLINONE, 2-(3,5-DICHLORO-2-HYDROXYPHENYL)-",001033-16-5,135573297,"2-(3,5-dichloro-2-hydroxyphenyl)-3H-quinazolin-4-one",C1=CC=C2C(=C1)C(=O)NC(=N2)C3=C(C(=CC(=C3)Cl)Cl)O,"InChI=1S/C14H8Cl2N2O2/c15-7-5-9(12(19)10(16)6-7)13-17-11-4-2-1-3-8(11)14(20)18-13/h1-6,19H,(H,17,18,20)",IZKYBVYMLNWKGE-UHFFFAOYSA-N,C14H8Cl2N2O2,307.1,305.9962829,3.3,61.7,429,0,2,3,1,20,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4(1H)-QUINAZOLINONE, 6-CHLORO-2-(3,5-DICHLORO-2-HYDROXYPHENYL)-",028712-44-9,135573300,"6-chloro-2-(3,5-dichloro-2-hydroxyphenyl)-3H-quinazolin-4-one",C1=CC2=C(C=C1Cl)C(=O)NC(=N2)C3=C(C(=CC(=C3)Cl)Cl)O,"InChI=1S/C14H7Cl3N2O2/c15-6-1-2-11-8(3-6)14(21)19-13(18-11)9-4-7(16)5-10(17)12(9)20/h1-5,20H,(H,18,19,21)",WLGLDEHMWPVPCV-UHFFFAOYSA-N,C14H7Cl3N2O2,341.6,339.957311,3.9,61.7,460,0,2,3,1,21,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"DIPROPYLENE GLYCOL, DIBENZOATE",027138-31-4,101560,1-(2-benzoyloxypropoxy)propan-2-yl benzoate,CC(COCC(C)OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2,"InChI=1S/C20H22O5/c1-15(24-19(21)17-9-5-3-6-10-17)13-23-14-16(2)25-20(22)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3",IZYUWBATGXUSIK-UHFFFAOYSA-N,C20H22O5,342.4,342.1467238,4,61.8,372,0,0,5,10,25,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-PROPANOL, 2-[2-(BENZOYLOXY)PROPOXY]-, BENZOATE",020109-39-1,89272,2-(2-benzoyloxypropoxy)propyl benzoate,CC(COC(C)COC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2,"InChI=1S/C20H22O5/c1-15(13-24-19(21)17-9-5-3-6-10-17)23-14-16(2)25-20(22)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3",LXODQLXKQIJVNK-UHFFFAOYSA-N,C20H22O5,342.4,342.1467238,4,61.8,410,0,0,5,10,25,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DIETHYLENE GLYCOL DIBENZOATE,000120-55-8,8437,2-(2-benzoyloxyethoxy)ethyl benzoate,C1=CC=C(C=C1)C(=O)OCCOCCOC(=O)C2=CC=CC=C2,"InChI=1S/C18H18O5/c19-17(15-7-3-1-4-8-15)22-13-11-21-12-14-23-18(20)16-9-5-2-6-10-16/h1-10H,11-14H2",NXQMCAOPTPLPRL-UHFFFAOYSA-N,C18H18O5,314.3,314.1154237,3.4,61.8,322,0,0,5,10,23,450 °F (232 °C) (CLOSED CUP),225-227 °C @ 3 MM HG,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Imidazoline, 2-((N-benzylanilino)methyl)-",91-75-8,2200,"N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline",C1CN=C(N1)CN(CC2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)",REYFJDPCWQRWAA-UHFFFAOYSA-N,C17H19N3,265.35,265.1578976,2.6,27.6,314,0,1,2,5,20,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Imidazoline, 2-((N-benzylanilino)methyl)-, hydrochloride",2508-72-7,17275,"N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline;hydrochloride",C1CN=C(N1)CN(CC2=CC=CC=C2)C3=CC=CC=C3.Cl,"InChI=1S/C17H19N3.ClH/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16;/h1-10H,11-14H2,(H,18,19);1H",SWKDMSRRIBZZAY-UHFFFAOYSA-N,C17H20ClN3,301.8,301.1345753,,27.6,314,0,2,2,5,21,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Imidazole-2-methanamine, 4,5-dihydro-N-phenyl-N-(phenylmethyl)-, monomethanesulfonate",3131-32-6,222115,"N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline;methanesulfonic acid",CS(=O)(=O)O.C1CN=C(N1)CN(CC2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C17H19N3.CH4O3S/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16;1-5(2,3)4/h1-10H,11-14H2,(H,18,19);1H3,(H,2,3,4)",PIEHFGHAWYGNCY-UHFFFAOYSA-N,C18H23N3O3S,361.5,361.1460128,,90.4,407,0,2,5,5,25,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Glycolic acid, 8-ester with octahydro-5,8-dihydroxy-4,6,9,10-tetramethyl-6-vinyl-3a,9-propano-3aH-cyclopentacycloocten-1(4H)-one",125-65-5,9886081,"[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-hydroxyacetate",C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CO)C,"InChI=1S/C22H34O5/c1-6-20(4)11-16(27-17(25)12-23)21(5)13(2)7-9-22(14(3)19(20)26)10-8-15(24)18(21)22/h6,13-14,16,18-19,23,26H,1,7-12H2,2-5H3/t13-,14+,16-,18+,19+,20-,21+,22+/m1/s1",ZRZNJUXESFHSIO-BKUNHTPHSA-N,C22H34O5,378.5,378.2406242,3.5,83.8,645,0,2,5,4,27,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, ((2-(diethylamino)ethyl)thio)-, 6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3ah-cyclopentacycloocten-8-yl ester, (3aS-(3a-alpha,4-beta,5-alpha,6-alpha,8-beta,9-beta,10S*))-",55297-95-5,656958,"[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamino)ethylsulfanyl]acetate",CCN(CC)CCSCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@@]23CC[C@H]([C@@]1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C,"InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1",UURAUHCOJAIIRQ-QGLSALSOSA-N,C28H47NO4S,493.7,493.3225802,5.6,92.1,770,0,1,6,10,34,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3H-Pyrido(3,4-b)indole, 4,9-dihydro-7-methoxy-1-methyl-",304-21-2,3564,"7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole",CC1=NCCC2=C1NC3=C2C=CC(=C3)OC,"InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3",RERZNCLIYCABFS-UHFFFAOYSA-N,C13H14N2O,214.26,214.1106131,2.1,37.4,302,0,1,2,1,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"Harmaline, hydrochloride, dihydrate",6027-98-1,2723643,"7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;dihydrate;hydrochloride",CC1=NCCC2=C1NC3=C2C=CC(=C3)OC.O.O.Cl,"InChI=1S/C13H14N2O.ClH.2H2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;;;/h3-4,7,15H,5-6H2,1-2H3;1H;2*1H2",LCEKUHFBUFUSSY-UHFFFAOYSA-N,C13H19ClN2O3,286.75,286.1084202,,39.4,302,0,4,4,1,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"5-beta-Bufa-20,22-dienolide, 14,15-beta-epoxy-3-beta-hydroxy-",465-39-4,6917974,"5-[(1R,2S,4R,6R,7R,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one",C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O,"InChI=1S/C24H32O4/c1-22-9-7-16(25)11-15(22)4-5-18-17(22)8-10-23(2)19(12-20-24(18,23)28-20)14-3-6-21(26)27-13-14/h3,6,13,15-20,25H,4-5,7-12H2,1-2H3/t15-,16+,17+,18-,19-,20-,22+,23-,24-/m1/s1",ATLJNLYIJOCWJE-CWMZOUAVSA-N,C24H32O4,384.5,384.2300595,3.7,59.1,785,0,1,4,1,28,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Bufa-20,22-dienolide, 16-(acetyloxy)-14,15-epoxy-3-hydroxy-, (3-beta,5-beta,15-beta,16-beta)-",470-37-1,11969542,"[(1R,2S,4R,5R,6R,7R,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate",CC(=O)O[C@@H]1[C@@H]([C@]2(CC[C@H]3[C@H]([C@@]24[C@@H]1O4)CC[C@H]5[C@@]3(CC[C@@H](C5)O)C)C)C6=COC(=O)C=C6,"InChI=1S/C26H34O6/c1-14(27)31-22-21(15-4-7-20(29)30-13-15)25(3)11-9-18-19(26(25)23(22)32-26)6-5-16-12-17(28)8-10-24(16,18)2/h4,7,13,16-19,21-23,28H,5-6,8-12H2,1-3H3/t16-,17+,18+,19-,21+,22-,23-,24+,25-,26-/m1/s1",SCULJPGYOQQXTK-OLRINKBESA-N,C26H34O6,442.5,442.2355388,3.3,85.4,923,0,1,6,3,32,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Adipamide, N,N'-bis(3-chlorophenyl)-",73680-49-6,52104,"N,N'-bis(3-chlorophenyl)hexanediamide",C1=CC(=CC(=C1)Cl)NC(=O)CCCCC(=O)NC2=CC(=CC=C2)Cl,"InChI=1S/C18H18Cl2N2O2/c19-13-5-3-7-15(11-13)21-17(23)9-1-2-10-18(24)22-16-8-4-6-14(20)12-16/h3-8,11-12H,1-2,9-10H2,(H,21,23)(H,22,24)",LXMBVMKKKLUBFC-UHFFFAOYSA-N,C18H18Cl2N2O2,365.2,364.0745332,3.8,58.2,382,0,2,2,7,24,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 3,3'-(adipoyldiimino)bis(2,4,6-triiodo-",606-17-7,3739,"3-[[6-(3-carboxy-2,4,6-triiodoanilino)-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid",C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I,"InChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)",FFINMCNLQNTKLU-UHFFFAOYSA-N,C20H14I6N2O6,1139.8,1139.512,5.5,133,714,0,4,6,9,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
Hexanedianilide,4456-80-8,20523,"N,N'-diphenylhexanediamide",C1=CC=C(C=C1)NC(=O)CCCCC(=O)NC2=CC=CC=C2,"InChI=1S/C18H20N2O2/c21-17(19-15-9-3-1-4-10-15)13-7-8-14-18(22)20-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,19,21)(H,20,22)",QZLPDBKEVWFQNF-UHFFFAOYSA-N,C18H20N2O2,296.4,296.1524779,2.6,58.2,311,0,2,2,7,22,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-Pyrrolin-2-one, 3-acetyl-5-sec-butyl-4-hydroxy-, L-",610-88-8,54678599,"4-acetyl-2-butan-2-yl-3-hydroxy-1,2-dihydropyrrol-5-one",CCC(C)C1C(=C(C(=O)N1)C(=O)C)O,"InChI=1S/C10H15NO3/c1-4-5(2)8-9(13)7(6(3)12)10(14)11-8/h5,8,13H,4H2,1-3H3,(H,11,14)",CEIZFXOZIQNICU-UHFFFAOYSA-N,C10H15NO3,197.23,197.1051933,1.2,66.4,306,0,2,3,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrrole-2,4-diol, 3-acetyl-5-sec-butyl-",27778-66-1,54683011,"(2S)-4-acetyl-2-[(2S)-butan-2-yl]-3-hydroxy-1,2-dihydropyrrol-5-one",CC[C@H](C)[C@H]1C(=C(C(=O)N1)C(=O)C)O,"InChI=1S/C10H15NO3/c1-4-5(2)8-9(13)7(6(3)12)10(14)11-8/h5,8,13H,4H2,1-3H3,(H,11,14)/t5-,8-/m0/s1",CEIZFXOZIQNICU-XNCJUZBTSA-N,C10H15NO3,197.23,197.1051933,1.2,66.4,306,0,2,3,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Pyrrolin-2-one, 1-acetyl-5-ethylidene-3-hexanoyl-4-hydroxyl-",,637997,"1,2-dihydropyrrol-5-one",C1C=CC(=O)N1,"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)",CDCHBOQVXIGZHA-UHFFFAOYSA-N,C4H5NO,83.09,83.03711378,-0.4,29.1,95,0,1,1,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propanol, 1,3-diphenoxy-",622-04-8,12140,"1,3-diphenoxypropan-2-ol",C1=CC=C(C=C1)OCC(COC2=CC=CC=C2)O,"InChI=1S/C15H16O3/c16-13(11-17-14-7-3-1-4-8-14)12-18-15-9-5-2-6-10-15/h1-10,13,16H,11-12H2",NKCVHIPHZCIEFC-UHFFFAOYSA-N,C15H16O3,244.28,244.1099444,3.6,38.7,186,0,1,3,6,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Acetophenone, 2',2'''-(2-hydroxytrimethylenedioxy)bis(6-hydroxy-",16150-44-0,85303,1-[2-[3-(2-acetyl-3-hydroxyphenoxy)-2-hydroxypropoxy]-6-hydroxyphenyl]ethanone,CC(=O)C1=C(C=CC=C1OCC(COC2=CC=CC(=C2C(=O)C)O)O)O,"InChI=1S/C19H20O7/c1-11(20)18-14(23)5-3-7-16(18)25-9-13(22)10-26-17-8-4-6-15(24)19(17)12(2)21/h3-8,13,22-24H,9-10H2,1-2H3",RUOPAUDVYRHXDB-UHFFFAOYSA-N,C19H20O7,360.4,360.120903,2.7,113,439,0,3,7,8,26,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propanol, 1,3-bis(o-methoxyphenoxy)-",16929-60-5,97669,"1,3-bis(2-methoxyphenoxy)propan-2-ol",COC1=CC=CC=C1OCC(COC2=CC=CC=C2OC)O,"InChI=1S/C17H20O5/c1-19-14-7-3-5-9-16(14)21-11-13(18)12-22-17-10-6-4-8-15(17)20-2/h3-10,13,18H,11-12H2,1-2H3",SSNCGCIXFDVLFP-UHFFFAOYSA-N,C17H20O5,304.34,304.1310737,2.9,57.2,271,0,1,5,8,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"as-Triazine, 3-amino-6-phenyl-",942-72-3,120468,"6-phenyl-1,2,4-triazin-3-amine",C1=CC=C(C=C1)C2=CN=C(N=N2)N,"InChI=1S/C9H8N4/c10-9-11-6-8(12-13-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11,13)",NIJQGEJYKLRADI-UHFFFAOYSA-N,C9H8N4,172.19,172.0748963,0.5,64.7,156,0,1,4,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4-Triazine-3,5-diamine, 6-(2,3-dichlorophenyl)-",84057-84-1,3878,"6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine",C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N,"InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)",PYZRQGJRPPTADH-UHFFFAOYSA-N,C9H7Cl2N5,256.09,255.0078506,1.4,90.7,242,0,2,5,1,16,,503.1±60.0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,4-Triazine-3,5-diamine, 6-(2,3-dichlorophenyl)-, 2-hydroxyethanesulfonate",113170-86-8,45039646,"6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;2-hydroxyethanesulfonic acid",C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N.C(CS(=O)(=O)O)O,"InChI=1S/C9H7Cl2N5.C2H6O4S/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7;3-1-2-7(4,5)6/h1-3H,(H4,12,13,14,16);3H,1-2H2,(H,4,5,6)",CJIDZLNMKONKAD-UHFFFAOYSA-N,C11H13Cl2N5O4S,382.2,381.0065305,,174,359,0,4,9,3,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrazole,3-methyl-5-phenyl-",3347-62-4,18774,5-methyl-3-phenyl-1H-pyrazole,CC1=CC(=NN1)C2=CC=CC=C2,"InChI=1S/C10H10N2/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)",QHRSESMSOJZMCO-UHFFFAOYSA-N,C10H10N2,158.2,158.0843983,2.3,28.7,141,0,1,1,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5H-Dibenzo(a,d)cycloheptene-5-propylamine, N,N-dimethyl-, hydrochloride",1614-57-9,15370,"dimethyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)propyl]azanium chloride",C[NH+](C)CCCC1C2=CC=CC=C2C=CC3=CC=CC=C13.[Cl-],"InChI=1S/C20H23N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-11,13-14,20H,7,12,15H2,1-2H3;1H",VBKNNJQOMLOXQL-UHFFFAOYSA-N,C20H24ClN,313.9,313.1597275,,4.4,320,0,1,1,4,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"5H-Dibenzo(a,d)cycloheptene, 5-amino-",31721-90-1,208163,"tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine",C1=CC=C2C(C3=CC=CC=C3C=CC2=C1)N,"InChI=1S/C15H13N/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10,15H,16H2",HKLYXHWNPAGMMW-UHFFFAOYSA-N,C15H13N,207.27,207.1047994,3,26,245,0,1,1,0,16,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,6-Piperazinedione, 4,4'-(1,2-ethanediyl)bis-",1506-47-4,72760,"4-[2-(3,5-dioxopiperazin-1-yl)ethyl]piperazine-2,6-dione",C1C(=O)NC(=O)CN1CCN2CC(=O)NC(=O)C2,"InChI=1S/C10H14N4O4/c15-7-3-13(4-8(16)11-7)1-2-14-5-9(17)12-10(18)6-14/h1-6H2,(H,11,15,16)(H,12,17,18)",GBLIGNUYGOFIKS-UHFFFAOYSA-N,C10H14N4O4,254.24,254.1015049,-1.8,98.8,339,0,2,6,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"2,6-Piperazinedione, 4,4'-(1,2-dimethylethylene)di-, meso-",21416-88-6,119081,"4-[(2S,3R)-3-(3,5-dioxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione",C[C@H]([C@H](C)N1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2,"InChI=1S/C12H18N4O4/c1-7(15-3-9(17)13-10(18)4-15)8(2)16-5-11(19)14-12(20)6-16/h7-8H,3-6H2,1-2H3,(H,13,17,18)(H,14,19,20)/t7-,8+",OBYGAPWKTPDTAS-OCAPTIKFSA-N,C12H18N4O4,282.3,282.1328051,-1,98.8,390,0,2,6,3,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,6-Piperazinedione, 4,4'-propylenedi-, (+)-",24584-09-6,71384,"4-[(2S)-2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione",C[C@@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2,"InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m0/s1",BMKDZUISNHGIBY-ZETCQYMHSA-N,C11H16N4O4,268.27,268.117155,-1.4,98.8,404,0,2,6,3,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrazole, 5-amino-3-phenyl-",1572-10-7,136655,5-phenyl-1H-pyrazol-3-amine,C1=CC=C(C=C1)C2=CC(=NN2)N,"InChI=1S/C9H9N3/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H3,10,11,12)",PWSZRRFDVPMZGM-UHFFFAOYSA-N,C9H9N3,159.19,159.0796473,1.5,54.7,143,0,2,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrazole, 3-phenyl-",2458-26-6,17155,5-phenyl-1H-pyrazole,C1=CC=C(C=C1)C2=CC=NN2,"InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H,(H,10,11)",OEDUIFSDODUDRK-UHFFFAOYSA-N,C9H8N2,144.17,144.0687483,1.9,28.7,119,0,1,1,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrazole, 4-amino-5-phenyl-",91857-86-2,12327105,5-phenyl-1H-pyrazol-4-amine,C1=CC=C(C=C1)C2=C(C=NN2)N,"InChI=1S/C9H9N3/c10-8-6-11-12-9(8)7-4-2-1-3-5-7/h1-6H,10H2,(H,11,12)",YLYPTGYHGCWJGN-UHFFFAOYSA-N,C9H9N3,159.19,159.0796473,1.2,54.7,143,0,2,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Pyridinecarboxamide, N-(4-oxo-5-(phenylmethylene)-2-thioxo-3-thiazolidinyl)-",1908-94-7,1274205,"N-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide",C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3,"InChI=1S/C16H11N3O2S2/c20-14(12-6-8-17-9-7-12)18-19-15(21)13(23-16(19)22)10-11-4-2-1-3-5-11/h1-10H,(H,18,20)/b13-10-",PJEQQFYYSRRNJI-RAXLEYEMSA-N,C16H11N3O2S2,341.4,341.029269,3.1,120,523,0,1,5,2,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Pyridinecarboxamide, N-(5-((2-chlorophenyl)methylene)-4-oxo-2-thioxo-3-thiazolidinyl)-",68710-98-5,1397774,"N-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide",C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3)Cl,"InChI=1S/C16H10ClN3O2S2/c17-12-4-2-1-3-11(12)9-13-15(22)20(16(23)24-13)19-14(21)10-5-7-18-8-6-10/h1-9H,(H,19,21)/b13-9-",AVFLOVMDYULDKZ-LCYFTJDESA-N,C16H10ClN3O2S2,375.9,374.9902966,3.7,120,564,0,1,5,2,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Pyridinecarboxamide, N-(5-((4-methoxyphenyl)methylene)-4-oxo-2-thioxo-3-thiazolidinyl)-",68748-26-5,1274210,"N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide",COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3,"InChI=1S/C17H13N3O3S2/c1-23-13-4-2-11(3-5-13)10-14-16(22)20(17(24)25-14)19-15(21)12-6-8-18-9-7-12/h2-10H,1H3,(H,19,21)/b14-10+",DHQPCIWJIMCPJK-GXDHUFHOSA-N,C17H13N3O3S2,371.4,371.0398336,3,129,567,0,1,6,3,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-Pyrazolidinedione, 4-butyl-1-phenyl-",2210-63-1,16639,"4-butyl-1-phenylpyrazolidine-3,5-dione",CCCCC1C(=O)NN(C1=O)C2=CC=CC=C2,"InChI=1S/C13H16N2O2/c1-2-3-9-11-12(16)14-15(13(11)17)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H,14,16)",REOJLIXKJWXUGB-UHFFFAOYSA-N,C13H16N2O2,232.28,232.1211778,2.7,49.4,298,0,1,2,4,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,5-Pyrazolidinedione, 4,4-diethyl-1-phenyl-",,3031300,"4,4-diethyl-1-phenylpyrazolidine-3,5-dione",CCC1(C(=O)NN(C1=O)C2=CC=CC=C2)CC,"InChI=1S/C13H16N2O2/c1-3-13(4-2)11(16)14-15(12(13)17)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,14,16)",MAGFGTMRZHCQFE-UHFFFAOYSA-N,C13H16N2O2,232.28,232.1211778,2.3,49.4,317,0,1,2,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3,5-Pyrazolidinedione, 1-phenyl-",,268117,"1-phenylpyrazolidine-3,5-dione",C1C(=O)NN(C1=O)C2=CC=CC=C2,"InChI=1S/C9H8N2O2/c12-8-6-9(13)11(10-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,12)",JHRGJMLMFWJXOG-UHFFFAOYSA-N,C9H8N2O2,176.17,176.0585775,0.7,49.4,234,0,1,2,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole, 3-(2-pyrrolidinyl)-",3/8/66,19585,3-pyrrolidin-2-yl-1H-indole,C1CC(NC1)C2=CNC3=CC=CC=C32,"InChI=1S/C12H14N2/c1-2-5-11-9(4-1)10(8-14-11)12-6-3-7-13-12/h1-2,4-5,8,12-14H,3,6-7H2",MAVAXPFTVGSHTB-UHFFFAOYSA-N,C12H14N2,186.25,186.1156985,1.9,27.8,204,0,2,1,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Indole, 3-(1-methyl-2-pyrrolidinyl)-",7236-83-1,23662,3-(1-methylpyrrolidin-2-yl)-1H-indole,CN1CCCC1C2=CNC3=CC=CC=C32,"InChI=1S/C13H16N2/c1-15-8-4-7-13(15)11-9-14-12-6-3-2-5-10(11)12/h2-3,5-6,9,13-14H,4,7-8H2,1H3",FNTDGCHSJHAFAV-UHFFFAOYSA-N,C13H16N2,200.28,200.1313485,2.4,19,229,0,1,1,1,15,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"Indole, 1-methyl-3-(2-pyrrolidinyl)-, hydrochloride",63938-59-0,138400634,1-methyl-3-pyrrolidin-2-ylindole;hydrochloride,CN1C=C(C2=CC=CC=C21)C3CCCN3.Cl,"InChI=1S/C13H16N2.ClH/c1-15-9-11(12-6-4-8-14-12)10-5-2-3-7-13(10)15;/h2-3,5,7,9,12,14H,4,6,8H2,1H3;1H",NHALRSQXOLZIPN-UHFFFAOYSA-N,C13H17ClN2,236.74,236.1080262,,17,229,0,2,1,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-(hydroxymethyl)-, (2-beta,9-beta,10-alpha,16-alpha,23E)-",6040-19-3,5281315,"[(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate",CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)CO)C)C)O)O,"InChI=1S/C32H46O9/c1-17(34)41-27(2,3)12-11-23(37)31(8,40)25-21(36)14-29(6)22-10-9-18-19(13-20(35)26(39)28(18,4)5)32(22,16-33)24(38)15-30(25,29)7/h9,11-12,19-22,25,33,35-36,40H,10,13-16H2,1-8H3/b12-11+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1",IHTCCHVMPGDDSL-IVNGUWCNSA-N,C32H46O9,574.7,574.314183,2,158,1230,0,4,9,7,41,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"19-Nor-9-beta,10-alpha-lanosta-5,23-diene-3,11,22-trione, 9-methyl-2-beta,16-alpha,20,25-tetrahydroxy-",3877-86-9,5281318,"(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione",C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)C)C)[C@](C)(C(=O)/C=C/C(C)(C)O)O)O,"InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s1",SRPHMISUTWFFKJ-QJNWWGCFSA-N,C30H44O7,516.7,516.3087037,2.1,132,1100,0,4,7,4,37,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Chelerythrine, chloride",3895-92-9,72311,"1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium chloride",C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5.[Cl-],"InChI=1S/C21H18NO4.ClH/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22;/h4-10H,11H2,1-3H3;1H/q+1;/p-1",WEEFNMFMNMASJY-UHFFFAOYSA-M,C21H18ClNO4,383.8,383.0924357,,40.8,516,0,0,5,2,27,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1,3)Benzodioxolo(5,6-c)phenanthridinium, 1,2-dimethoxy-12-methyl-",34316-15-9,2703,"1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium",C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5,"InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1",LLEJIEBFSOEYIV-UHFFFAOYSA-N,C21H18NO4+,348.4,348.1235831,4.6,40.8,516,1,0,4,2,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"11H-Benzo(5,6)cyclohepta(1,2-b)pyridine, 5,6-dihydro-11-(1-methyl-4-piperidylidene)-,dimaleate",3978-86-7,5281066,"bis((Z)-but-2-enedioic acid);2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene",CN1CCC(=C2C3=C(C=CC=N3)CCC4=CC=CC=C24)CC1.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C20H22N2.2C4H4O4/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19;2*5-3(6)1-2-4(7)8/h2-7,12H,8-11,13-14H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-",SGHXFFAHXTZRQM-SPIKMXEPSA-N,C28H30N2O8,522.5,522.2002159,,165,536,0,4,10,4,38,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"1-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-, ethyl ester",79794-75-5,3957,"ethyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate",CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1,"InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3",JCCNYMKQOSZNPW-UHFFFAOYSA-N,C22H23ClN2O2,382.9,382.1448057,5.2,42.4,569,0,0,3,2,27,,,1,0,0,0,0,1,1,1,0,0,1,0,0,1,0,0,1,1,0,1
"5H-Benzo(5,6)cyclohepta(1,2-b)pyridine, 8-chloro-6,11-dihydro-11-(4-piperidinylidene)-",100643-71-8,124087,"13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene",C1CC2=C(C=CC(=C2)Cl)C(=C3CCNCC3)C4=C1C=CC=N4,"InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2",JAUOIFJMECXRGI-UHFFFAOYSA-N,C19H19ClN2,310.8,310.1236763,4.5,24.9,425,0,1,2,0,22,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,1,0,0
"1H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2,8-dimethyl-",19686-05-6,209291,"2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole",CC1=CC2=C(C=C1)NC3=C2CN(CC3)C,"InChI=1S/C13H16N2/c1-9-3-4-12-10(7-9)11-8-15(2)6-5-13(11)14-12/h3-4,7,14H,5-6,8H2,1-2H3",MUZFLDUALLSEBH-UHFFFAOYSA-N,C13H16N2,200.28,200.1313485,2.3,19,241,0,1,1,0,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2-methyl-",12/2/94,97424,"2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole",CN1CCC2=C(C1)C3=CC=CC=C3N2,"InChI=1S/C12H14N2/c1-14-7-6-12-10(8-14)9-4-2-3-5-11(9)13-12/h2-5,13H,6-8H2,1H3",FYHWPFXPFFPQRT-UHFFFAOYSA-N,C12H14N2,186.25,186.1156985,2,19,216,0,1,1,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"beta-D-Glucopyranoside, (1S,4aS,5R,7S,7aR)-1,4a,5,6,7,7a-hexahydro-4a,5,7-trihydroxy-7-methylcyclopenta(c)pyran-1-yl",8/5/26,93045,"(1S,4aS,5R,7S,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triol",C[C@@]1(C[C@H]([C@]2([C@@H]1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O,"InChI=1S/C15H24O10/c1-14(21)4-7(17)15(22)2-3-23-13(11(14)15)25-12-10(20)9(19)8(18)6(5-16)24-12/h2-3,6-13,16-22H,4-5H2,1H3/t6-,7-,8-,9+,10-,11-,12+,13+,14+,15-/m1/s1",XUWSHXDEJOOIND-YYDKPPGPSA-N,C15H24O10,364.34,364.136947,-3.3,169,528,0,7,10,3,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"beta-D-Glucopyranoside, (1S,4aS,5R,7S,7aS)-7-(acetyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-metylcyclopenta(c)pyran-1-yl-",6926-14-3,9978650,"[(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate",CC(=O)O[C@]1(C[C@H]([C@]2([C@@H]1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)C,"InChI=1S/C17H26O11/c1-7(19)28-16(2)5-9(20)17(24)3-4-25-15(13(16)17)27-14-12(23)11(22)10(21)8(6-18)26-14/h3-4,8-15,18,20-24H,5-6H2,1-2H3/t8-,9-,10-,11+,12-,13-,14+,15+,16+,17-/m1/s1",CAFTUQNGDROXEZ-XBDCZORHSA-N,C17H26O11,406.4,406.1475116,-2.7,175,626,0,6,11,5,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"beta-D-Glucopyranoside, (1S,4aR,5R,7S,7aS)-1,4a,5,6,7,7a-hexahydro-5,7-dihydroxy-7-methylcyclopenta(c)pyran-1-yl",52949-83-4,6325127,"(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5R,7S,7aS)-5,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol",C[C@@]1(C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,"InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/m0/s1",VELYAQRXBJLJAK-XKKWFBPMSA-N,C15H24O9,348.34,348.1420323,-2.2,149,486,0,6,9,3,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 2-(p-aminobenzamido)-",7467-42-7,81976,4-amino-N-pyridin-2-ylbenzamide,C1=CC=NC(=C1)NC(=O)C2=CC=C(C=C2)N,"InChI=1S/C12H11N3O/c13-10-6-4-9(5-7-10)12(16)15-11-3-1-2-8-14-11/h1-8H,13H2,(H,14,15,16)",GBYNWLIJDNPFRH-UHFFFAOYSA-N,C12H11N3O,213.23,213.090212,1.6,68,236,0,2,3,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, 4-amino-N-(5-chloro-2-pyridinyl)-",36845-14-4,215936,4-amino-N-(5-chloro-2-pyridinyl)benzamide,C1=CC(=CC=C1C(=O)NC2=NC=C(C=C2)Cl)N,"InChI=1S/C12H10ClN3O/c13-9-3-6-11(15-7-9)16-12(17)8-1-4-10(14)5-2-8/h1-7H,14H2,(H,15,16,17)",BSJGXTNBRNVOQK-UHFFFAOYSA-N,C12H10ClN3O,247.68,247.0512396,2,68,266,0,2,3,2,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, p-amino-N-(6-methyl-2-pyridyl)-",36845-08-6,37553,4-amino-N-(6-methyl-2-pyridinyl)benzamide,CC1=NC(=CC=C1)NC(=O)C2=CC=C(C=C2)N,"InChI=1S/C13H13N3O/c1-9-3-2-4-12(15-9)16-13(17)10-5-7-11(14)8-6-10/h2-8H,14H2,1H3,(H,15,16,17)",OJJAQNZSNFIQSA-UHFFFAOYSA-N,C13H13N3O,227.26,227.105862,1.7,68,261,0,2,3,2,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"beta-D-Glucopyranoside, (3-beta,12-beta)-20-((6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranosyl)oxy)-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-",11021-13-9,6917976,"(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@H](CO8)O)O)O)O)O)O)C,"InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-41(65)34(58)26(57)21-68-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-42(66)38(62)35(59)27(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3/t24-,25+,26-,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,50-,51+,52+,53-/m0/s1",NODILNFGTFIURN-GZPRDHCNSA-N,C53H90O22,1079.3,1078.592374,0.3,357,1950,0,14,22,15,75,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"beta-D-Glucopyranoside, (3-beta,12-beta)-20-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-",41753-43-9,9898279,"(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol",CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)C,"InChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,51-,52+,53+,54-/m0/s1",GZYPWOGIYAIIPV-JBDTYSNRSA-N,C54H92O23,1109.3,1108.602939,0.3,377,2000,0,15,23,16,77,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphorothioic acid, O,O-diethyl ester, O-ester with (6-ethoxycarbonyl-5-methyl)pyrazolo(1,5-a)pyrimidin-2-ol",13457-18-6,26033,"ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate",CCOC(=O)C1=CN2C(=CC(=N2)OP(=S)(OCC)OCC)N=C1C,"InChI=1S/C14H20N3O5PS/c1-5-19-14(18)11-9-17-12(15-10(11)4)8-13(16-17)22-23(24,20-6-2)21-7-3/h8-9H,5-7H2,1-4H3",JOOMJVFZQRQWKR-UHFFFAOYSA-N,C14H20N3O5PS,373.37,373.0861289,3.1,116,473,0,0,8,9,24,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrazolo(1,5-a)pyrimidine, 5,7-dimethyl-",35149-38-3,215186,"5,7-dimethylpyrazolo[1,5-a]pyrimidine",CC1=CC(=NC2=CC=NN12)C,"InChI=1S/C8H9N3/c1-6-5-7(2)11-8(10-6)3-4-9-11/h3-5H,1-2H3",LBWVNVFQCVTMMH-UHFFFAOYSA-N,C8H9N3,147.18,147.0796473,1.1,30.2,148,0,0,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrazolo(1,5-a)pyrimidine, 7-amino-",,15379137,"pyrazolo[1,5-a]pyrimidin-7-amine",C1=C(N2C(=CC=N2)N=C1)N,"InChI=1S/C6H6N4/c7-5-1-3-8-6-2-4-9-10(5)6/h1-4H,7H2",WPFZGADUIUVTCF-UHFFFAOYSA-N,C6H6N4,134.14,134.0592462,0,56.2,127,0,1,3,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9H-1,7a-(Epoxymethano)-1H,6aH-cyclopenta(c)furo(2,3-b)furo(3',2':3,4)cyclopenta(1,2-d)furan-5,9,12(4H)-trione, 3-(1,1-dimethylethyl)hexahydro-4,7b-dihydroxy-8-methyl-, (1R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11aS)-",15291-75-5,9909368,"(1R,3R,6R,7S,8S,10R,11S,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione",C[C@@H]1C(=O)O[C@@H]2[C@]1([C@@]34C(=O)O[C@H]5[C@]3(C2)[C@@]6([C@@H](C5)C(C)(C)C)[C@H](C(=O)O[C@H]6O4)O)O,"InChI=1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3/t7-,8+,9-,10+,11+,15+,17-,18+,19-,20-/m1/s1",FPUXKXIZEIDQKW-VKMVSBOZSA-N,C20H24O9,408.4,408.1420323,0.6,129,893,0,2,9,1,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9H-1,7a-(Epoxymethano)-1H,6aH-cyclopenta(c)furo(2,3-b)furo(3',2':3,4)cyclopenta(1,2-d)furan-5,9,12(4H)-trione, 3-(1,1-dimethylethyl)hexahydro-4,7b,11-trihydroxy-8-methyl-, (1R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11S,11aR)-",15291-77-7,11973122,"(1R,3R,6R,7S,8S,10R,11R,12S,13S,16S,17R)-8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione",C[C@@H]1C(=O)O[C@@H]2[C@]1([C@@]34C(=O)O[C@H]5[C@]3([C@@H]2O)[C@@]6([C@@H](C5)C(C)(C)C)[C@H](C(=O)O[C@H]6O4)O)O,"InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9-,10+,11+,15+,17+,18+,19-,20-/m1/s1",SQOJOAFXDQDRGF-ZMVGXLHTSA-N,C20H24O10,424.4,424.136947,-0.4,149,925,0,3,10,1,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9H-1,7a-(Epoxymethano)-1H,6aH-cyclopenta(c)furo(2,3-b)furo(3',2':3,4)cyclopenta(1,2-d)furan-5,9,12(4H)-trione, 3-(1,1-dimethylethyl)hexahydro-2,4,7b,11-tetrahydroxy-8-methyl-, (1S,2R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11S,11aR)-",15291-76-6,9867869,"(1R,3R,6R,7S,8S,9R,10S,11R,12R,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione",C[C@@H]1C(=O)O[C@@H]2[C@]1([C@@]34C(=O)O[C@H]5[C@]3([C@H]2O)[C@@]6([C@@H]([C@H]5O)C(C)(C)C)[C@H](C(=O)O[C@H]6O4)O)O,"InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6-,7+,8+,9+,10-,11+,15+,17+,18-,19-,20-/m1/s1",AMOGMTLMADGEOQ-DTDWCABLSA-N,C20H24O11,440.4,440.1318616,-1.4,169,957,0,4,11,1,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Succinimide, 2-(alpha,alpha,alpha-trifluoro-m-tolyl)-",15386-94-4,203867,"1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione",C1CC(=O)N(C1=O)C2=CC=CC(=C2)C(F)(F)F,"InChI=1S/C11H8F3NO2/c12-11(13,14)7-2-1-3-8(6-7)15-9(16)4-5-10(15)17/h1-3,6H,4-5H2",GQCQERWJFWBERU-UHFFFAOYSA-N,C11H8F3NO2,243.18,243.050713,1.1,37.4,324,0,0,5,1,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Succinimide, N-(3,5-dichlorophenyl)-",24096-53-5,90363,"1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione",C1CC(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl,"InChI=1S/C10H7Cl2NO2/c11-6-3-7(12)5-8(4-6)13-9(14)1-2-10(13)15/h3-5H,1-2H2",CFZLNRGUBAVQNO-UHFFFAOYSA-N,C10H7Cl2NO2,244.07,242.9853839,1.6,37.4,269,0,0,2,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-Pyrrolidinedione, 1-(2-hydroxyphenyl)-",79252-84-9,3061450,"1-(2-hydroxyphenyl)pyrrolidine-2,5-dione",C1CC(=O)N(C1=O)C2=CC=CC=C2O,"InChI=1S/C10H9NO3/c12-8-4-2-1-3-7(8)11-9(13)5-6-10(11)14/h1-4,12H,5-6H2",QGMHYVXVMJXSEK-UHFFFAOYSA-N,C10H9NO3,191.18,191.0582431,-0.4,57.6,248,0,1,3,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Lanatoside C,17575-22-3,656630,"[(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate",C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3C[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC(=O)C)O,"InChI=1S/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,26-35,37-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29-,30+,31+,32+,33+,34-,35-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48+,49+/m1/s1",JAYAGJDXJIDEKI-PTGWOZRBSA-N,C49H76O20,985.1,984.4929948,0.2,288,1870,0,8,20,12,69,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Lanatoside C, deacetyl-",17598-65-1,28620,"3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one",C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3C[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O,"InChI=1S/C47H74O19/c1-20-41(64-36-16-30(50)42(21(2)60-36)65-37-17-31(51)43(22(3)61-37)66-44-40(56)39(55)38(54)32(18-48)63-44)29(49)15-35(59-20)62-25-8-10-45(4)24(13-25)6-7-27-28(45)14-33(52)46(5)26(9-11-47(27,46)57)23-12-34(53)58-19-23/h12,20-22,24-33,35-44,48-52,54-57H,6-11,13-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46+,47+/m1/s1",OBATZBGFDSVCJD-LALPQLPRSA-N,C47H74O19,943.1,942.4824301,-0.3,282,1760,0,9,19,10,66,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"Furazan, 3,4-dimethyl-",,138397,"3,4-dimethyl-1,2,5-oxadiazole",CC1=NON=C1C,InChI=1S/C4H6N2O/c1-3-4(2)6-7-5-3/h1-2H3,JKJSZGJVBAWEFB-UHFFFAOYSA-N,C4H6N2O,98.1,98.04801282,0.7,38.9,58,0,0,3,0,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Furazan, 3-amino-4-methyl-",17647-70-0,28674,"4-methyl-1,2,5-oxadiazol-3-amine",CC1=NON=C1N,"InChI=1S/C3H5N3O/c1-2-3(4)6-7-5-2/h1H3,(H2,4,6)",QIEJLLIYONRHBH-UHFFFAOYSA-N,C3H5N3O,99.09,99.04326179,0.1,64.9,67,0,1,4,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Furazancarboxamide, 4-methyl-",32551-33-0,36180,"4-methyl-1,2,5-oxadiazole-3-carboxamide",CC1=NON=C1C(=O)N,"InChI=1S/C4H5N3O2/c1-2-3(4(5)8)7-9-6-2/h1H3,(H2,5,8)",QRRDRWCBNYCPJW-UHFFFAOYSA-N,C4H5N3O2,127.1,127.0381764,0.3,82,127,0,1,4,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Thiazolidinecarboxylic acid, 2-oxo-, (R)-",19771-63-2,72390,"(4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid",C1[C@H](NC(=O)S1)C(=O)O,"InChI=1S/C4H5NO3S/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1",BMLMGCPTLHPWPY-REOHCLBHSA-N,C4H5NO3S,147.15,146.9990142,-0.1,91.7,158,0,2,4,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Thiazolidinone, 5-(methoxymethyl)-3-(4-((3-nitrophenyl)methoxy)phenyl)-",73422-59-0,97431,"1,3-thiazolidin-2-one",C1CSC(=O)N1,"InChI=1S/C3H5NOS/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)",SLYRGJDSFOCAAI-UHFFFAOYSA-N,C3H5NOS,103.15,103.009185,0.3,54.4,73,0,1,2,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonothioic acid, (2-oxo-3-thiazolidinyl)-, O-ethyl S-(1-methylpropyl) ester",98886-44-3,91758,"3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-1,3-thiazolidin-2-one",CCC(C)SP(=O)(N1CCSC1=O)OCC,"InChI=1S/C9H18NO3PS2/c1-4-8(3)16-14(12,13-5-2)10-6-7-15-9(10)11/h8H,4-7H2,1-3H3",DUFVKSUJRWYZQP-UHFFFAOYSA-N,C9H18NO3PS2,283.4,283.0465728,2,97.2,300,0,0,5,6,16,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"(4,8'-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2R,2'R,3R,3'S,4R)-",20315-25-7,11250133,"(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol",C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1",XFZJEEAOWLFHDH-UKWJTHFESA-N,C30H26O12,578.5,578.1424263,2.4,221,925,0,10,12,3,42,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"(4,8'-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2R,2'S,3S,3'S,4S)-",23567-23-9,146798,"(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol",C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@H]3[C@@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1",XFZJEEAOWLFHDH-AVFWISQGSA-N,C30H26O12,578.5,578.1424263,2.4,221,925,0,10,12,3,42,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(4,8'-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-",35356-34-4,130556,"2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol",C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2",XFZJEEAOWLFHDH-UHFFFAOYSA-N,C30H26O12,578.5,578.1424263,2.4,221,925,0,10,12,3,42,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Thiazole, 2-amino-4-methyl-5-phenylcarbamoyl-",21452-14-2,735558,"2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide",CC1=C(SC(=N1)N)C(=O)NC2=CC=CC=C2,"InChI=1S/C11H11N3OS/c1-7-9(16-11(12)13-7)10(15)14-8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,13)(H,14,15)",CACOMUHPQMDEJQ-UHFFFAOYSA-N,C11H11N3OS,233.29,233.0622832,2.2,96.3,256,0,2,4,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Thiazolecarboxamide, 2,4-dimethyl-N-phenyl-",21452-18-6,88916,"2,4-dimethyl-N-phenyl-1,3-thiazole-5-carboxamide",CC1=C(SC(=N1)C)C(=O)NC2=CC=CC=C2,"InChI=1S/C12H12N2OS/c1-8-11(16-9(2)13-8)12(15)14-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,14,15)",UDSJPFPDKCMYBD-UHFFFAOYSA-N,C12H12N2OS,232.3,232.0670342,2.9,70.2,253,0,1,3,2,16,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Thiazolecarboxamide, N-(2,6-dibromo-4-(trifluoromethoxy)phenyl)-2-methyl-4-(trifluoromethyl)",130000-40-7,86389,"N-[2,6-dibromo-4-(trifluoromethoxy)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide",CC1=NC(=C(S1)C(=O)NC2=C(C=C(C=C2Br)OC(F)(F)F)Br)C(F)(F)F,"InChI=1S/C13H6Br2F6N2O2S/c1-4-22-10(12(16,17)18)9(26-4)11(24)23-8-6(14)2-5(3-7(8)15)25-13(19,20)21/h2-3H,1H3,(H,23,24)",WOSNCVAPUOFXEH-UHFFFAOYSA-N,C13H6Br2F6N2O2S,528.06,527.84004,6,79.5,512,0,1,10,3,26,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"beta-D-Glucopyranosiduronic acid, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl",21967-41-9,64982,"(2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid",C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O,"InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1",IKIIZLYTISPENI-ZFORQUDYSA-N,C21H18O11,446.4,446.0849114,1.1,183,748,0,6,11,4,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4-Triazolo(3,4-a)isoquinoline, 8,9-dimethoxy-",27210-18-0,213872,"8,9-dimethoxy-[1,2,4]triazolo[3,4-a]isoquinoline",COC1=C(C=C2C(=C1)C=CN3C2=NN=C3)OC,"InChI=1S/C12H11N3O2/c1-16-10-5-8-3-4-15-7-13-14-12(15)9(8)6-11(10)17-2/h3-7H,1-2H3",ZTBGCDFKOGILGZ-UHFFFAOYSA-N,C12H11N3O2,229.23,229.0851266,2.4,48.7,276,0,0,4,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4-Triazolo(3,4-a)isoquinoline, 8,9-dimethoxy-3-methyl-",28401-89-0,206669,"8,9-dimethoxy-3-methyl-[1,2,4]triazolo[3,4-a]isoquinoline",CC1=NN=C2N1C=CC3=CC(=C(C=C32)OC)OC,"InChI=1S/C13H13N3O2/c1-8-14-15-13-10-7-12(18-3)11(17-2)6-9(10)4-5-16(8)13/h4-7H,1-3H3",FVSUDTLZWVZJBF-UHFFFAOYSA-N,C13H13N3O2,243.26,243.1007767,2.8,48.7,302,0,0,4,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Methanone, (1,1-biphenyl)-4-yl(2-chlorophenyl)-",34701-98-9,198145,(2-chlorophenyl)-(4-phenylphenyl)methanone,C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3Cl,InChI=1S/C19H13ClO/c20-18-9-5-4-8-17(18)19(21)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,ZSENJSDVZBWPKH-UHFFFAOYSA-N,C19H13ClO,292.8,292.0654927,5.5,17.1,339,0,0,1,3,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, o-(4-biphenylylcarbonyl)-",42797-18-2,39302,2-(4-phenylbenzoyl)benzoic acid,C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O,"InChI=1S/C20H14O3/c21-19(17-8-4-5-9-18(17)20(22)23)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,22,23)",NBYNVBRXIUUSIG-UHFFFAOYSA-N,C20H14O3,302.3,302.0942943,4.1,54.4,417,0,1,3,4,23,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzophenone, 2-methyl-4'-phenyl-",85296-08-8,55326,(2-methylphenyl)-(4-phenylphenyl)methanone,CC1=CC=CC=C1C(=O)C2=CC=C(C=C2)C3=CC=CC=C3,"InChI=1S/C20H16O/c1-15-7-5-6-10-19(15)20(21)18-13-11-17(12-14-18)16-8-3-2-4-9-16/h2-14H,1H3",VQUIWJXQTBMPAE-UHFFFAOYSA-N,C20H16O,272.3,272.1201151,4.7,17.1,334,0,0,1,3,21,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
Salinomycin,53003-10-4,3085092,"(2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5S,7R,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoic acid",CC[C@H]([C@H]1CC[C@@H]([C@@H](O1)[C@@H](C)[C@@H]([C@H](C)C(=O)[C@H](CC)[C@@H]2[C@H](C[C@H]([C@]3(O2)C=C[C@H]([C@@]4(O3)CC[C@@](O4)(C)[C@H]5CC[C@@]([C@@H](O5)C)(CC)O)O)C)C)O)C)C(=O)O,"InChI=1S/C42H70O11/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47)/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-/m0/s1",KQXDHUJYNAXLNZ-XQSDOZFQSA-N,C42H70O11,751,750.491813,5.7,161,1320,0,4,11,12,53,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Salinomycin, 4-methyl-, (4S)",55134-13-9,65452,"(2R)-2-[(2R,3S,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5S,7R,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyloxan-2-yl]butanoic acid",CC[C@H]([C@H]1[C@H](C[C@@H]([C@@H](O1)[C@@H](C)[C@@H]([C@H](C)C(=O)[C@H](CC)[C@@H]2[C@H](C[C@H]([C@]3(O2)C=C[C@H]([C@@]4(O3)CC[C@@](O4)(C)[C@H]5CC[C@@]([C@@H](O5)C)(CC)O)O)C)C)O)C)C)C(=O)O,"InChI=1S/C43H72O11/c1-12-30(35(46)27(8)34(45)28(9)36-23(4)21-24(5)37(51-36)31(13-2)39(47)48)38-25(6)22-26(7)42(52-38)18-15-32(44)43(54-42)20-19-40(11,53-43)33-16-17-41(49,14-3)29(10)50-33/h15,18,23-34,36-38,44-45,49H,12-14,16-17,19-22H2,1-11H3,(H,47,48)/t23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34+,36+,37+,38-,40-,41+,42-,43-/m0/s1",VHKXXVVRRDYCIK-CWCPJSEDSA-N,C43H72O11,765,764.5074631,6.2,161,1360,0,4,11,12,54,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Salinomycin, monosodium salt",55721-31-8,23703990,"sodium (2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5S,7R,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoate",CC[C@H]([C@H]1CC[C@@H]([C@@H](O1)[C@@H](C)[C@@H]([C@H](C)C(=O)[C@H](CC)[C@@H]2[C@H](C[C@H]([C@]3(O2)C=C[C@H]([C@@]4(O3)CC[C@@](O4)(C)[C@H]5CC[C@@]([C@@H](O5)C)(CC)O)O)C)C)O)C)C(=O)[O-].[Na+],"InChI=1S/C42H70O11.Na/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33;/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47);/q;+1/p-1/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-;/m0./s1",YPZYGIQXBGHDBH-UZHRAPRISA-M,C42H69NaO11,773,772.4737573,,164,1330,0,3,11,12,54,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1(2H)-Naphthalenone, 3,4-dihydro-2-((4-methylphenyl)methylene)-, (E)-",59082-26-7,1234182,"(2E)-2-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-1-one",CC1=CC=C(C=C1)/C=C/2\CCC3=CC=CC=C3C2=O,"InChI=1S/C18H16O/c1-13-6-8-14(9-7-13)12-16-11-10-15-4-2-3-5-17(15)18(16)19/h2-9,12H,10-11H2,1H3/b16-12+",PVROLXTXTZFNQT-FOWTUZBSSA-N,C18H16O,248.3,248.1201151,4.4,17.1,360,0,0,1,1,19,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1(2H)-Naphthalenone, 3,4-dihydro-2-((4-methoxyphenyl)methylene)-, (E)-",59120-87-5,695537,"(2E)-2-[(4-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one",COC1=CC=C(C=C1)/C=C/2\CCC3=CC=CC=C3C2=O,"InChI=1S/C18H16O2/c1-20-16-10-6-13(7-11-16)12-15-9-8-14-4-2-3-5-17(14)18(15)19/h2-7,10-12H,8-9H2,1H3/b15-12+",QYTJDCMWDKBJFO-NTCAYCPXSA-N,C18H16O2,264.3,264.1150297,4.1,26.3,377,0,0,2,2,20,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1(2H)-Naphthalenone, 3,4-dihydro-2-((4-ethoxyphenyl)methylene)-, (E)-",130689-16-6,5702490,"(2E)-2-[(4-ethoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one",CCOC1=CC=C(C=C1)/C=C/2\CCC3=CC=CC=C3C2=O,"InChI=1S/C19H18O2/c1-2-21-17-11-7-14(8-12-17)13-16-10-9-15-5-3-4-6-18(15)19(16)20/h3-8,11-13H,2,9-10H2,1H3/b16-13+",DYGMQSSRLXYBCP-DTQAZKPQSA-N,C19H18O2,278.3,278.1306798,4.4,26.3,390,0,0,2,3,21,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Oxiranemethanol, 4-methylbenzenesulfonate, (S)-",70987-78-9,153296,[(2S)-oxiran-2-yl]methyl 4-methylbenzenesulfonate,CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2CO2,"InChI=1S/C10H12O4S/c1-8-2-4-10(5-3-8)15(11,12)14-7-9-6-13-9/h2-5,9H,6-7H2,1H3/t9-/m0/s1",NOQXXYIGRPAZJC-VIFPVBQESA-N,C10H12O4S,228.27,228.04563,1.1,64.3,298,0,0,4,4,15,,,0,0,0,0,0,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0
"Oxiranemethanol, 4-methylbenzenesulfonate, (R)-",113826-06-5,154187,[(2R)-oxiran-2-yl]methyl 4-methylbenzenesulfonate,CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2CO2,"InChI=1S/C10H12O4S/c1-8-2-4-10(5-3-8)15(11,12)14-7-9-6-13-9/h2-5,9H,6-7H2,1H3/t9-/m1/s1",NOQXXYIGRPAZJC-SECBINFHSA-N,C10H12O4S,228.27,228.04563,1.1,64.3,298,0,0,4,4,15,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,0,0,0
"Benzenesulfonic acid, 3-nitro-, oxiranylmethyl ester, (S)-",115314-14-2,146490,[(2S)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate,C1[C@H](O1)COS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-],"InChI=1S/C9H9NO6S/c11-10(12)7-2-1-3-9(4-7)17(13,14)16-6-8-5-15-8/h1-4,8H,5-6H2/t8-/m0/s1",AIHIHVZYAAMDPM-QMMMGPOBSA-N,C9H9NO6S,259.24,259.0150582,0.7,110,383,0,0,6,4,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetic acid, (2-benzothiazolylthio)-, ((4-methoxyphenyl)methylene)hydrazide",94768-90-8,6871209,"2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide",COC1=CC=C(C=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3S2,"InChI=1S/C17H15N3O2S2/c1-22-13-8-6-12(7-9-13)10-18-20-16(21)11-23-17-19-14-4-2-3-5-15(14)24-17/h2-10H,11H2,1H3,(H,20,21)/b18-10+",ZHWOZHUDZLEPIT-VCHYOVAHSA-N,C17H15N3O2S2,357.5,357.0605691,4.2,117,442,0,1,6,6,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Quinuclidinol, 2-methylene-3-phenyl-, hydrochloride",82380-37-8,3067892,2-methylidene-3-phenyl-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride,C=C1C(C2CCN1CC2)(C3=CC=CC=C3)O.Cl,"InChI=1S/C14H17NO.ClH/c1-11-14(16,12-5-3-2-4-6-12)13-7-9-15(11)10-8-13;/h2-6,13,16H,1,7-10H2;1H",FOTGKNUQFCQPNE-UHFFFAOYSA-N,C14H18ClNO,251.75,251.1076919,,23.5,287,0,2,2,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Quinuclidinol, 2-methylene-3-(o-tolyl)-, hydrochloride",82380-39-0,3067895,2-methylidene-3-(2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride,CC1=CC=CC=C1C2(C3CCN(C2=C)CC3)O.Cl,"InChI=1S/C15H19NO.ClH/c1-11-5-3-4-6-14(11)15(17)12(2)16-9-7-13(15)8-10-16;/h3-6,13,17H,2,7-10H2,1H3;1H",XHEVYNDBRRBQND-UHFFFAOYSA-N,C15H20ClNO,265.78,265.123342,,23.5,319,0,2,2,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Quinuclidinol, 2-methylene-3-(3,4-xylyl)-, hydrochloride",82380-45-8,3067902,"3-(3,4-dimethylphenyl)-2-methylidene-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride",CC1=C(C=C(C=C1)C2(C3CCN(C2=C)CC3)O)C.Cl,"InChI=1S/C16H21NO.ClH/c1-11-4-5-15(10-12(11)2)16(18)13(3)17-8-6-14(16)7-9-17;/h4-5,10,14,18H,3,6-9H2,1-2H3;1H",RHZMNUBJUBLWEN-UHFFFAOYSA-N,C16H22ClNO,279.8,279.138992,,23.5,345,0,2,2,1,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,1-Epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocine-10-carboxylic acid, 2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-, methyl ester,(9-alpha,10-beta,12-alpha)-",99533-80-9,3035817,"methyl (15S,16R,18R)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate",C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)OC)O,"InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18-,26+,27+/m1/s1",KOZFSFOOLUUIGY-SOLYNIJKSA-N,C27H21N3O5,467.5,467.1481208,2.8,94.7,976,0,2,5,2,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,12-Epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocine-10-carboxylic acid, 2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-, hexyl ester, (9R,10R,12S)-rel-",108068-98-0,454202,"hexyl (15R,16S,18S)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate",CCCCCCOC(=O)[C@@]1(C[C@H]2N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N(C7=C53)[C@@]1(O2)C)CNC6=O)O,"InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1",ZHEHVZXPFVXKEY-RUAOOFDTSA-N,C32H31N3O5,537.6,537.2263711,5.1,94.7,1060,0,2,5,7,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
K 252,97161-97-2,3813,"methyl 16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate",CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)OC)O,"InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)",KOZFSFOOLUUIGY-UHFFFAOYSA-N,C27H21N3O5,467.5,467.1481208,2.8,94.7,976,0,2,5,2,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Piperidineethanol, alpha-(4-chlorophenyl)-4-((4-fluorophenyl)methyl)-",119431-25-3,60703,1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanol,C1CN(CCC1CC2=CC=C(C=C2)F)CC(C3=CC=C(C=C3)Cl)O,"InChI=1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2",GGUSQTSTQSHJAH-UHFFFAOYSA-N,C20H23ClFNO,347.9,347.1452202,4.5,23.5,359,0,1,3,5,24,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"4-Piperidinemethanol, alpha-(2,3-dimethoxyphenyl)-1-(2-(4-fluorophenyl)ethyl)-, (alpha-R)-",139290-65-6,5311271,"(R)-(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol",COC1=CC=CC(=C1OC)[C@@H](C2CCN(CC2)CCC3=CC=C(C=C3)F)O,"InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1",HXTGXYRHXAGCFP-OAQYLSRUSA-N,C22H28FNO3,373.5,373.2053219,3.9,41.9,422,0,1,5,7,27,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Imidazole-5-carboxylic acid, 2-butyl-4-chloro-1-((2'-(14-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-",124750-92-1,108185,2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid,CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)Cl,"InChI=1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)",ZEUXAIYYDDCIRX-UHFFFAOYSA-N,C22H21ClN6O2,436.9,436.1414516,5,110,590,0,2,6,8,31,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0
"1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-((2'-(1H-tetrazol-5-yl) (1,1'-biphenyl)-4-yl)methyl)-",144689-24-7,158781,5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid,CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C(C)(C)O,"InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29)",VTRAEEWXHOVJFV-UHFFFAOYSA-N,C24H26N6O3,446.5,446.2066387,3.2,130,656,0,3,7,8,33,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Imidazole-5-methanol, 2-butyl-4-chloro-1-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-",114798-26-4,3961,[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol,CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl,"InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)",PSIFNNKUMBGKDQ-UHFFFAOYSA-N,C22H23ClN6O,422.9,422.1621871,4.3,92.5,520,0,2,5,8,30,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,1,0,1
"1H-Pyrazole-3-carboxamide, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-, hydrochloride",158681-13-1,104849,"5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide;hydrochloride",CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl.Cl,"InChI=1S/C22H21Cl3N4O.ClH/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15;/h5-10,13H,2-4,11-12H2,1H3,(H,27,30);1H",REOYOKXLUFHOBV-UHFFFAOYSA-N,C22H22Cl4N4O,500.2,500.051822,,50.2,583,0,2,3,4,31,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrazole-3-carboxamide, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-",168273-06-1,104850,"5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide",CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl,"InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)",JZCPYUJPEARBJL-UHFFFAOYSA-N,C22H21Cl3N4O,463.8,462.078094,6.5,50.2,583,0,1,3,4,30,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,1
"1H-Pyrazole-3-carboxamide, 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-1-piperidinyl-",183232-66-8,2125,"1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide",CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)I,"InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)",BUZAJRPLUGXRAB-UHFFFAOYSA-N,C22H21Cl2IN4O,555.2,554.01371,6.5,50.2,585,0,1,3,4,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenesulfonamide, 4-(5-methyl-3-phenyl-4-isoxazolyl)-",181695-72-7,119607,"4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide",CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N,"InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)",LNPDTQAFDNKSHK-UHFFFAOYSA-N,C16H14N2O3S,314.4,314.0725135,2.6,94.6,462,0,1,5,3,22,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Propanamide, N-((4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl)sulfonyl)-, sodium salt",198470-85-8,15895902,"sodium [4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl-propanoylazanide",CCC(=O)[N-]S(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C.[Na+],"InChI=1S/C19H18N2O4S.Na/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15;/h4-12H,3H2,1-2H3,(H,21,22);/q;+1/p-1",HQPVVKXJNZEAFW-UHFFFAOYSA-M,C19H17N2NaO4S,392.4,392.0806725,,86.6,581,0,0,6,5,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Propanamide, N-((4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl)sulfonyl)-",198470-84-7,119828,"N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylpropanamide",CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C,"InChI=1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22)",TZRHLKRLEZJVIJ-UHFFFAOYSA-N,C19H18N2O4S,370.4,370.0987282,3.3,97.7,575,0,1,5,5,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"1H-Pyrrole-3-carboxamide, N-(2-(diethylamino)ethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-",557795-19-4,5329102,"N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide",CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C,"InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-",WINHZLLDWRZWRT-ATVHPVEESA-N,C22H27FN4O2,398.5,398.2118043,2.6,77.2,636,0,3,4,7,29,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"2H-Indol-2-one, 3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-1,3-dihydro-",204005-46-9,123015,"3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one",CC1=CC(=C(N1)C=C2C3=CC=CC=C3NC2=O)C,"InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)",WUWDLXZGHZSWQZ-UHFFFAOYSA-N,C15H14N2O,238.28,238.1106131,2.5,44.9,377,0,2,1,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((((2-amino-2-carboxy",075498-96-3,23663397,"sodium (6R,7S)-7-[[2-[(2S)-2-amino-2-carboxyethyl]sulfanylacetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSC[C@H](C(=O)O)N)OC)SC2)C(=O)[O-].[Na+],"InChI=1S/C16H21N7O7S3.Na/c1-22-15(19-20-21-22)33-4-7-3-32-14-16(30-2,13(29)23(14)10(7)12(27)28)18-9(24)6-31-5-8(17)11(25)26;/h8,14H,3-6,17H2,1-2H3,(H,18,24)(H,25,26)(H,27,28);/q;+1/p-1/t8-,14-,16+;/m1./s1",SBIDXLKJYJVQOE-YNJMIPHHSA-M,C16H20N7NaO7S3,541.6,541.0484038,,282,869,0,3,14,11,34,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
CEFMETAZOLE SODIUM,056796-39-5,23666711,"sodium (6R,7S)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)[O-].[Na+],"InChI=1S/C15H17N7O5S3.Na/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25;/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25);/q;+1/p-1/t13-,15+;/m1./s1",BITQGIOJQWZUPL-PBCQUBLHSA-M,C15H16N7NaO5S3,493.5,493.0272744,,242,824,0,1,12,9,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((((cyanomethyl)thio)",056796-20-4,42008,"(6R,7S)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)O,"InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1",SNBUBQHDYVFSQF-HIFRSBDPSA-N,C15H17N7O5S3,471.5,471.0453302,-0.6,239,818,0,2,12,9,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"Piperazine, 1-(p-chloro-alpha-phenylbenzyl)-4-(m-methylbenzyl)-, dihydrochlori",001104-22-9,64713,1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine;dihydrochloride,CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.Cl.Cl,"InChI=1S/C25H27ClN2.2ClH/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23;;/h2-13,18,25H,14-17,19H2,1H3;2*1H",VCTHNOIYJIXQLV-UHFFFAOYSA-N,C25H29Cl3N2,463.9,462.139632,,6.5,447,0,2,2,5,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Piperazine, 1-(p-chloro-alpha-phenylbenzyl)-4-(m-methylbenzyl)-",000569-65-3,4034,1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine,CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl,"InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3",OCJYIGYOJCODJL-UHFFFAOYSA-N,C25H27ClN2,390.9,390.1862766,5.8,6.5,447,0,0,2,5,28,,230 °C @ 2 MM HG,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Piperazine, 1-(bis(4-fluorophenyl)methyl)-4-((2,3,4-trimethoxyphenyl)methyl)-, dihydrochloride",101477-54-7,122125,"1-[bis(4-fluorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;dihydrochloride",COC1=C(C(=C(C=C1)CN2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC)OC.Cl.Cl,"InChI=1S/C27H30F2N2O3.2ClH/c1-32-24-13-8-21(26(33-2)27(24)34-3)18-30-14-16-31(17-15-30)25(19-4-9-22(28)10-5-19)20-6-11-23(29)12-7-20;;/h4-13,25H,14-18H2,1-3H3;2*1H",LOGVKVSFYBBUAJ-UHFFFAOYSA-N,C27H32Cl2F2N2O3,541.5,540.1758046,,34.2,568,0,2,7,8,36,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"HYOSCYAMINE SULFATE, DIHYDRATE",006835-16-1,23724783,"bis([(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate);sulfuric acid;dihydrate",CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)C3=CC=CC=C3.CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)C3=CC=CC=C3.O.O.OS(=O)(=O)O,"InChI=1S/2C17H23NO3.H2O4S.2H2O/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4;;/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4);2*1H2/t2*13-,14+,15?,16-;;;/m11.../s1",BXSVDJUWKSRQMD-OMLVBYQESA-N,C34H52N2O12S,712.8,712.3240963,,185,434,0,6,14,10,49,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"8-AZONIABICYCLO[3.2.1]OCTANE, 3-[(HYDROXYPHENYLACETYL)OXY]-8,8-DIMETHYL-, BROM",000080-49-9,6646,"(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate bromide",C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O)C.[Br-],"InChI=1S/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1",FUFVKLQESJNNAN-UHFFFAOYSA-M,C17H24BrNO3,370.3,369.09396,,46.5,373,0,1,4,4,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-alpha-H,5-alpha-H-Tropanium, 3-alpha-hydroxy-8-isopropyl-, bromide, (+-)-tro",022254-24-6,657308,"[(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide",CC(C)[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-],"InChI=1S/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18?,19?,21?;",LHLMOSXCXGLMMN-CLTUNHJMSA-M,C20H30BrNO3,412.4,411.14091,,46.5,430,0,1,4,6,25,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
HOECHST 33342,023491-52-3,1464,2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole,CCOC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C,"InChI=1S/C27H28N6O/c1-3-34-21-8-4-18(5-9-21)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-7-20(17-25(23)31-27)33-14-12-32(2)13-15-33/h4-11,16-17H,3,12-15H2,1-2H3,(H,28,30)(H,29,31)",PRDFBSVERLRRMY-UHFFFAOYSA-N,C27H28N6O,452.6,452.2324595,4.6,73.1,664,0,2,5,5,34,,,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1
HOECHST STAIN SOLUTION,023491-45-4,31953,4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol;trihydrochloride,CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)O.Cl.Cl.Cl,"InChI=1S/C25H24N6O.3ClH/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16;;;/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29);3*1H",SMNPLAKEGAEPJD-UHFFFAOYSA-N,C25H27Cl3N6O,533.9,532.131193,,84.1,634,0,6,5,3,35,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
IODONITROTETRAZOLIUM FORMAZAN,007781-49-9,135431144,N'-(4-iodoanilino)-N-(4-nitrophenyl)iminobenzenecarboximidamide,C1=CC=C(C=C1)C(=NNC2=CC=C(C=C2)I)N=NC3=CC=C(C=C3)[N+](=O)[O-],"InChI=1S/C19H14IN5O2/c20-15-6-8-16(9-7-15)21-23-19(14-4-2-1-3-5-14)24-22-17-10-12-18(13-11-17)25(26)27/h1-13,21H",BWJJSYVJOLHQFF-UHFFFAOYSA-N,C19H14IN5O2,471.3,471.01922,6.2,94.9,529,0,1,5,5,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
DEUTEROPORPHYRIN IX DIMETHYL ESTER,010589-94-3,95097,"methyl 3-[18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate",CC1=CC2=CC3=C(C=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OC)CCC(=O)OC)C)C,"InChI=1S/C32H34N4O4/c1-17-11-22-14-27-19(3)23(7-9-31(37)39-5)29(35-27)16-30-24(8-10-32(38)40-6)20(4)28(36-30)15-26-18(2)12-21(34-26)13-25(17)33-22/h11-16,33-34H,7-10H2,1-6H3",CEPCOHFDZYMQHP-UHFFFAOYSA-N,C32H34N4O4,538.6,538.2580056,3.7,110,887,0,2,6,8,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 2,5-DIMETHYL-4-(4-MORPHOLINYLMETHYL)-, HYDROCHLORIDE",033625-43-3,118512,"2,5-dimethyl-4-(morpholin-4-ylmethyl)phenol;hydrochloride",CC1=CC(=C(C=C1O)C)CN2CCOCC2.Cl,"InChI=1S/C13H19NO2.ClH/c1-10-8-13(15)11(2)7-12(10)9-14-3-5-16-6-4-14;/h7-8,15H,3-6,9H2,1-2H3;1H",RLGUYDSHQWRANT-UHFFFAOYSA-N,C13H20ClNO2,257.75,257.1182566,,32.7,216,0,2,3,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"p-Tolunitrile, alpha-(4-morpholinyl)-",37812-51-4,216864,4-(morpholin-4-ylmethyl)benzonitrile,C1COCCN1CC2=CC=C(C=C2)C#N,"InChI=1S/C12H14N2O/c13-9-11-1-3-12(4-2-11)10-14-5-7-15-8-6-14/h1-4H,5-8,10H2",BCZLYNFDOJXWGN-UHFFFAOYSA-N,C12H14N2O,202.25,202.1106131,1.3,36.3,231,0,0,3,2,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
THIABENDAZOLE,000148-79-8,5430,"4-(1H-benzimidazol-2-yl)-1,3-thiazole",C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3,"InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)",WJCNZQLZVWNLKY-UHFFFAOYSA-N,C10H7N3S,201.25,201.0360684,2.5,69.8,212,0,1,3,1,14,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Benzimidazol-5-ol, 2-(4-thiazolyl)-",948-71-0,108227,"2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-ol",C1=CC2=C(C=C1O)NC(=N2)C3=CSC=N3,"InChI=1S/C10H7N3OS/c14-6-1-2-7-8(3-6)13-10(12-7)9-4-15-5-11-9/h1-5,14H,(H,12,13)",VNENJHUOPQAPAT-UHFFFAOYSA-N,C10H7N3OS,217.25,217.030983,2.1,90,241,0,2,4,1,15,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, N-methyl-, hydrochloride",438-59-5,9917,"N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine;hydrochloride",CNCCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31.Cl,"InChI=1S/C19H19N.ClH/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;/h2-5,7-13,20H,6,14H2,1H3;1H",UZMPCPFDZYTEJG-UHFFFAOYSA-N,C19H20ClN,297.8,297.1284273,,12,340,0,2,1,3,21,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"5H-Dibenzo(a,d)cycloheptene-delta(sup 5)-gamma-propylamine, N,N-dimethyl-, hydrochloride",6202-23-9,22576,"N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine;hydrochloride",CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31.Cl,"InChI=1S/C20H21N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-14H,7,15H2,1-2H3;1H",VXEAYBOGHINOKW-UHFFFAOYSA-N,C20H22ClN,311.8,311.1440774,,3.2,365,0,1,1,3,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,1,3-BENZOXADIAZOLE, 4,6-DINITRO-, 1-OXIDE",005128-28-9,78802,"4,6-dinitro-1-oxido-2,1,3-benzoxadiazol-1-ium",C1=C(C=C(C2=NO[N+](=C21)[O-])[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C6H2N4O6/c11-8(12)3-1-4(9(13)14)6-5(2-3)10(15)16-7-6/h1-2H,YHBBUAULQKLKMW-UHFFFAOYSA-N,C6H2N4O6,226.1,225.9974338,1.1,143,313,0,0,7,0,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TETRAHYDRO-2-METHYLTHIOPHENE,001795-09-1,15711,2-methylthiolane,CC1CCCS1,"InChI=1S/C5H10S/c1-5-3-2-4-6-5/h5H,2-4H2,1H3",AJPGNQYBSTXCJE-UHFFFAOYSA-N,C5H10S,102.2,102.0503215,1.8,25.3,43,0,0,1,0,6,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
BORAZINE,006569-51-3,138768,"1,3,5,2,4,6-triazatriborinane",B1NBNBN1,InChI=1S/B3H6N3/c1-4-2-6-3-5-1/h1-6H,BGECDVWSWDRFSP-UHFFFAOYSA-N,B3H6N3,80.5,81.0840877,,36.1,21,0,3,3,0,6,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
B-TRICHLOROBORAZINE,026445-82-9,70274,"2,4,6-trichloro-1,3,5,2,4,6-triazatriborinane",B1(NB(NB(N1)Cl)Cl)Cl,InChI=1S/B3Cl3H3N3/c4-1-7-2(5)9-3(6)8-1/h7-9H,IJXPQKHXJCOFGH-UHFFFAOYSA-N,B3Cl3H3N3,183.8,182.967171,,36.1,69,0,3,3,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CYCLOBUTANONE,001191-95-3,14496,cyclobutanone,C1CC(=O)C1,InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2,SHQSVMDWKBRBGB-UHFFFAOYSA-N,C4H6O,70.09,70.04186481,0,17.1,50,0,0,1,0,5,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Cyclobutanone, 2-tetradecyl-",,566940,2-tetradecylcyclobutan-1-one,CCCCCCCCCCCCCCC1CCC1=O,"InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(17)19/h17H,2-16H2,1H3",HTZLOIBLMXPDGR-UHFFFAOYSA-N,C18H34O,266.5,266.2609657,7.5,17.1,222,0,0,1,13,19,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BOROXIN, TRIMETHOXY-",000102-24-9,66880,"2,4,6-trimethoxy-1,3,5,2,4,6-trioxatriborinane",B1(OB(OB(O1)OC)OC)OC,InChI=1S/C3H9B3O6/c1-7-4-10-5(8-2)12-6(9-3)11-4/h1-3H3,ZFMOJHVRFMOIGF-UHFFFAOYSA-N,C3H9B3O6,173.5,174.0678285,,55.4,99,0,0,6,3,12,,,0,0,0,0,0,0,0,1,1,0,0,0,0,1,0,0,1,0,0,0
"BORIC ACID (HB02), SODIUM SALT, DIHYDRATE",016800-11-6,162344794,"trisodium;2,4,6-trioxido-1,3,5,2,4,6-trioxatriborinane;hexahydrate",B1(OB(OB(O1)[O-])[O-])[O-].O.O.O.O.O.O.[Na+].[Na+].[Na+],InChI=1S/B3O6.3Na.6H2O/c4-1-7-2(5)9-3(6)8-1;;;;;;;;;/h;;;;6*1H2/q-3;3*+1;;;;;;,DEJKGCBFGLVHJL-UHFFFAOYSA-N,B3H12Na3O12,305.5,306.0300992,,103,63,0,6,12,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"PHOSPHINE, DICYCLOHEXYL-",000829-84-5,13239,dicyclohexylphosphane,C1CCC(CC1)PC2CCCCC2,"InChI=1S/C12H23P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2",HDULBKVLSJEMGN-UHFFFAOYSA-N,C12H23P,198.28,198.1537377,3.5,0,116,0,0,0,2,13,,,0,1,1,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
[2-(DICYCLOHEXYLPHOSPHINO)ETHYL]TRIMETHYLAMMONIUM CHLORIDE,181864-78-8,15535162,2-dicyclohexylphosphanylethyl(trimethyl)azanium chloride,C[N+](C)(C)CCP(C1CCCCC1)C2CCCCC2.[Cl-],"InChI=1S/C17H35NP.ClH/c1-18(2,3)14-15-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h16-17H,4-15H2,1-3H3;1H/q+1;/p-1",ADRQXJKZPSRURO-UHFFFAOYSA-M,C17H35ClNP,319.9,319.2195648,,0,228,0,0,1,5,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ACETIC ACID, CYCLOPENTYLIDENE-, METHYL ESTER",040203-73-4,162409,methyl 2-cyclopentylideneacetate,COC(=O)C=C1CCCC1,"InChI=1S/C8H12O2/c1-10-8(9)6-7-4-2-3-5-7/h6H,2-5H2,1H3",ZDBCSZOFHPULAS-UHFFFAOYSA-N,C8H12O2,140.18,140.0837296,1.6,26.3,151,0,0,2,2,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOPENTANE, METHYLENE-",001528-30-9,73714,methylidenecyclopentane,C=C1CCCC1,InChI=1S/C6H10/c1-6-4-2-3-5-6/h1-5H2,NFJPEKRRHIYYES-UHFFFAOYSA-N,C6H10,82.14,82.07825032,2.1,0,54,0,0,0,0,6,,,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"SILACYCLOBUTANE, 1,1-DIMETHYL-",002295-12-7,75300,"1,1-dimethylsiletane",C[Si]1(CCC1)C,"InChI=1S/C5H12Si/c1-6(2)4-3-5-6/h3-5H2,1-2H3",YQQFFTNDQFUNHB-UHFFFAOYSA-N,C5H12Si,100.23,100.0708269,,0,51,0,0,0,0,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"SILACYCLOBUTANE, 1,1-DICHLORO-",002351-33-9,75373,"1,1-dichlorosiletane",C1C[Si](C1)(Cl)Cl,InChI=1S/C3H6Cl2Si/c4-6(5)2-1-3-6/h1-3H2,PASYEMKYRSIVTP-UHFFFAOYSA-N,C3H6Cl2Si,141.07,139.9615821,,0,55,0,0,0,0,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
CYCLOHEPTANONE,000502-42-1,10400,cycloheptanone,C1CCCC(=O)CC1,InChI=1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2,CGZZMOTZOONQIA-UHFFFAOYSA-N,C7H12O,112.17,112.088815,1.4,17.1,76,0,0,1,0,8,,178.5-179.5 @ 760 MM HG,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
3-CARENE,013466-78-9,26049,"3,7,7-trimethylbicyclo[4.1.0]hept-3-ene",CC1=CCC2C(C1)C2(C)C,"InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",BQOFWKZOCNGFEC-UHFFFAOYSA-N,C10H16,136.23,136.1252005,2.8,0,186,0,0,0,0,10,,"338 °F at 760 mmHg (USCG, 1999)",1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,1,0,0
(+)-3-CARENE,000498-15-7,443156,"(1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene",CC1=CC[C@@H]2[C@H](C1)C2(C)C,"InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m1/s1",BQOFWKZOCNGFEC-BDAKNGLRSA-N,C10H16,136.23,136.1252005,2.8,0,186,0,0,0,0,10,,,1,0,1,0,1,0,1,0,1,0,0,0,0,0,0,0,1,1,0,0
CYCLOOCT-4-EN-1-OL,004277-34-3,5381510,(4Z)-cyclooct-4-en-1-ol,C1C/C=C\CCC(C1)O,"InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-2,8-9H,3-7H2/b2-1-",UCPDHOTYYDHPEN-UPHRSURJSA-N,C8H14O,126.2,126.1044651,1.8,20.2,96,0,1,1,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
CIS-CYCLOOCTENE,000931-87-3,638079,cyclooctene,C1CCC/C=C\CC1,"InChI=1S/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2/b2-1-",URYYVOIYTNXXBN-UPHRSURJSA-N,C8H14,110.2,110.1095504,3.5,0,62,0,0,0,0,8,,,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-AZABICYCLO[2.2.1]HEPTANE, 2-METHYL-",004524-95-2,20618,2-methyl-2-azabicyclo[2.2.1]heptane,CN1CC2CCC1C2,"InChI=1S/C7H13N/c1-8-5-6-2-3-7(8)4-6/h6-7H,2-5H2,1H3",LLAMAEIOZLEXMF-UHFFFAOYSA-N,C7H13N,111.18,111.1047994,1.2,3.2,101,0,0,1,0,8,,,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,1,0
"ETHANOL, 2-[2-(2-AZABICYCLO[2.2.1]HEPT-2-YL)ETHOXY]-",116230-20-7,19854916,2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]ethanol,C1CC2CC1CN2CCOCCO,"InChI=1S/C10H19NO2/c12-4-6-13-5-3-11-8-9-1-2-10(11)7-9/h9-10,12H,1-8H2",XHCXVEOOEJMFIP-UHFFFAOYSA-N,C10H19NO2,185.26,185.1415788,0.4,32.7,163,0,1,3,5,13,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,0
"NICKEL, TETRAKIS[TRIS(METHYLPHENYL) PHOSPHITE-P]-",035884-66-3,13541791,nickel;tetrakis(tris(4-methylphenyl) phosphite),CC1=CC=C(C=C1)OP(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C.CC1=CC=C(C=C1)OP(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C.CC1=CC=C(C=C1)OP(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C.CC1=CC=C(C=C1)OP(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C.[Ni],"InChI=1S/4C21H21O3P.Ni/c4*1-16-4-10-19(11-5-16)22-25(23-20-12-6-17(2)7-13-20)24-21-14-8-18(3)9-15-21;/h4*4-15H,1-3H3;",RUCBZWQAPHSHNX-UHFFFAOYSA-N,C84H84NiO12P4,1468.1,1466.426668,,111,310,0,0,12,24,101,,,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,1,0,0
"CHLORO(2,2,6,6-TETRAMETHYL-1-PIPERIDINYL)MAGNESIUM",215863-85-7,11106352,"magnesium;2,2,6,6-tetramethylpiperidin-1-ide;chloride",CC1(CCCC([N-]1)(C)C)C.[Mg+2].[Cl-],"InChI=1S/C9H18N.ClH.Mg/c1-8(2)6-5-7-9(3,4)10-8;;/h5-7H2,1-4H3;1H;/q-1;;+2/p-1",ULKSWZAXQDJMJT-UHFFFAOYSA-M,C9H18ClMgN,200,199.097819,,1,120,0,0,2,0,12,,,0,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
DIKETENE,000674-82-8,12661,4-methylideneoxetan-2-one,C=C1CC(=O)O1,InChI=1S/C4H4O2/c1-3-2-4(5)6-3/h1-2H2,WASQWSOJHCZDFK-UHFFFAOYSA-N,C4H4O2,84.07,84.02112937,0.3,26.3,104,0,0,2,0,6,"93 °F (NFPA, 2010)",127 °C,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2-OXETANONE, 4-(8-HEPTADECENYLIDENE)-3-(7-HEXADECENYL)-, (?,Z,Z)-",056000-16-9,6436618,4-[(Z)-heptadec-8-enylidene]-3-[(Z)-hexadec-7-enyl]oxetan-2-one,CCCCCCCC/C=C\CCCCCCC=C1C(C(=O)O1)CCCCCC/C=C\CCCCCCCC,"InChI=1S/C36H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34(36(37)38-35)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,33-34H,3-16,21-32H2,1-2H3/b19-17-,20-18-,35-33?",YOZPNLKELYIIKS-DCUHBOJDSA-N,C36H64O2,528.9,528.4906313,15.2,26.3,615,0,0,2,28,38,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,2,4,4,6,6-HEXAMETHYLCYCLOTRISILAZANE",001009-93-4,66094,"2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-triazatrisilinane",C[Si]1(N[Si](N[Si](N1)(C)C)(C)C)C,"InChI=1S/C6H21N3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h7-9H,1-6H3",WGGNJZRNHUJNEM-UHFFFAOYSA-N,C6H21N3Si3,219.51,219.1043273,,36.1,139,0,3,3,0,12,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,3,5-TRIVINYL-1,3,5-TRIMETHYLCYCLOTRISILAZANE",005505-72-6,79644,"2,4,6-tris(ethenyl)-2,4,6-trimethyl-1,3,5,2,4,6-triazatrisilinane",C[Si]1(N[Si](N[Si](N1)(C)C=C)(C)C=C)C=C,"InChI=1S/C9H21N3Si3/c1-7-13(4)10-14(5,8-2)12-15(6,9-3)11-13/h7-12H,1-3H2,4-6H3",RFSBGZWBVNPVNN-UHFFFAOYSA-N,C9H21N3Si3,255.54,255.1043273,,36.1,243,0,3,3,3,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"TRICYCLO[6.3.1.02,5]DODECAN-1-OL, 4,4,8-TRIMETHYL-, ACETATE, [1R-(1.ALPHA.,2.A",057082-24-3,90473619,"[(1R,2S,5R,8S)-4,4,8-trimethyl-1-tricyclo[6.3.1.02,5]dodecanyl] acetate",CC(=O)O[C@]12CCC[C@](C1)(CC[C@@H]3[C@@H]2CC3(C)C)C,"InChI=1S/C17H28O2/c1-12(18)19-17-8-5-7-16(4,11-17)9-6-13-14(17)10-15(13,2)3/h13-14H,5-11H2,1-4H3/t13-,14+,16+,17-/m1/s1",SJDDHMSVZMBJPH-YQFWSFKMSA-N,C17H28O2,264.4,264.2089301,4.7,26.3,400,0,0,2,2,19,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"TRICYCLO[6.3.1.02,5]DODECAN-1-OL, 4,4,8-TRIMETHYL-, [1R-(1.ALPHA.,2.ALPHA.,5.B",000472-97-9,61125,"4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-1-ol",CC1(CC2C1CCC3(CCCC2(C3)O)C)C,"InChI=1S/C15H26O/c1-13(2)9-12-11(13)5-8-14(3)6-4-7-15(12,16)10-14/h11-12,16H,4-10H2,1-3H3",FUQAYSQLAOJBBC-UHFFFAOYSA-N,C15H26O,222.37,222.1983654,4.2,20.2,309,0,1,1,0,16,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2H-AZEPINE, 3,4,5,6-TETRAHYDRO-7-METHOXY-",002525-16-8,75657,"7-methoxy-3,4,5,6-tetrahydro-2H-azepine",COC1=NCCCCC1,"InChI=1S/C7H13NO/c1-9-7-5-3-2-4-6-8-7/h2-6H2,1H3",DNXIQMQGKSQHPC-UHFFFAOYSA-N,C7H13NO,127.18,127.099714,0.8,21.6,109,0,0,2,1,9,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Cyanamide, (3,4,5,6-tetrahydro-2H-azepin-7-yl)-",97482-07-0,57247,"3,4,5,6-tetrahydro-2H-azepin-7-ylcyanamide",C1CCC(=NCC1)NC#N,"InChI=1S/C7H11N3/c8-6-10-7-4-2-1-3-5-9-7/h1-5H2,(H,9,10)",LBZZNASGPKRVDC-UHFFFAOYSA-N,C7H11N3,137.18,137.0952974,0.3,48.2,175,0,1,2,1,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
INDENE,000095-13-6,7219,1H-indene,C1C=CC2=CC=CC=C21,"InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2",YBYIRNPNPLQARY-UHFFFAOYSA-N,C9H8,116.16,116.0626003,2.9,0,124,0,0,0,0,9,"173 °F (NIOSH, 2024)","359 °F at 760 mmHg (NIOSH, 2024)",0,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,1,0,0,0
"1H-Indene-2-carboxylic acid, 2,3-dihydro-5-(2-thienylcarbonyl)-",65056-83-9,575464,1H-indene-2-carboxylic acid,C1C2=CC=CC=C2C=C1C(=O)O,"InChI=1S/C10H8O2/c11-10(12)9-5-7-3-1-2-4-8(7)6-9/h1-5H,6H2,(H,11,12)",BINGGEWUXWUXMJ-UHFFFAOYSA-N,C10H8O2,160.17,160.0524295,2,37.3,230,0,1,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(1S)-(-)-BETA-PINENE,018172-67-3,440967,"(1S,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane",CC1([C@H]2CCC(=C)[C@@H]1C2)C,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9-/m0/s1",WTARULDDTDQWMU-IUCAKERBSA-N,C10H16,136.23,136.1252005,3.1,0,176,0,0,0,0,10,,165.00 to 167.00 °C. @ 760.00 mm Hg,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,1,0,0
"CYCLOHEXENE, 1-METHYL-4-(1-METHYLETHYLIDENE)-",000586-62-9,11463,1-methyl-4-propan-2-ylidenecyclohexene,CC1=CCC(=C(C)C)CC1,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3",MOYAFQVGZZPNRA-UHFFFAOYSA-N,C10H16,136.23,136.1252005,2.8,0,178,0,0,0,0,10,64 °C (147 °F) - closed cup,187 °C,1,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,1,1,0,0
"CYCLOHEXENE, 4-(1,5-DIMETHYL-4-HEXENYLIDENE)-1-METHYL-",000495-62-5,62346,1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene,CC1=CCC(=C(C)CCC=C(C)C)CC1,"InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3",XBGUIVFBMBVUEG-UHFFFAOYSA-N,C15H24,204.35,204.1878008,4.7,0,296,0,0,0,3,15,,,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
P-IODONITROTETRAZOLIUM VIOLET,000146-68-9,64957,2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyltetrazol-3-ium chloride,C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)I.[Cl-],InChI=1S/C19H13IN5O2.ClH/c20-15-6-8-16(9-7-15)23-21-19(14-4-2-1-3-5-14)22-24(23)17-10-12-18(13-11-17)25(26)27;/h1-13H;1H/q+1;/p-1,JORABGDXCIBAFL-UHFFFAOYSA-M,C19H13ClIN5O2,505.7,504.98025,,80.4,497,0,0,5,3,28,,,0,1,1,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"2,3,5-TRIPHENYLTETRAZOLIUM CHLORIDE",000298-96-4,9283,"2,3,5-triphenyltetrazol-2-ium chloride",C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-],InChI=1S/C19H15N4.ClH/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18;/h1-15H;1H/q+1;/p-1,PKDBCJSWQUOKDO-UHFFFAOYSA-M,C19H15ClN4,334.8,334.0985242,,34.6,330,0,0,3,3,24,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
4-TERT-BUTYLCALIX(6)ARENE,078092-53-2,335356,"5,11,17,23,29,35-hexatert-butylheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41,42-hexol",CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=CC(=CC(=C5O)CC6=C(C(=CC(=C6)C(C)(C)C)CC7=C(C(=CC(=C7)C(C)(C)C)C2)O)O)C(C)(C)C)C(C)(C)C)C(C)(C)C)O,"InChI=1S/C66H84O6/c1-61(2,3)49-25-37-19-39-27-50(62(4,5)6)29-41(56(39)68)21-43-31-52(64(10,11)12)33-45(58(43)70)23-47-35-54(66(16,17)18)36-48(60(47)72)24-46-34-53(65(13,14)15)32-44(59(46)71)22-42-30-51(63(7,8)9)28-40(57(42)69)20-38(26-49)55(37)67/h25-36,67-72H,19-24H2,1-18H3",UOEYZAXKBKAKRO-UHFFFAOYSA-N,C66H84O6,973.4,972.6267904,19.4,121,1330,0,6,6,6,72,,,0,0,0,1,0,1,0,1,0,1,0,0,0,1,0,0,1,0,1,1
CALIX(6)ARENE,096107-95-8,2724885,"heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene-37,38,39,40,41,42-hexol",C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=C(C(=CC=C4)CC5=CC=CC(=C5O)CC6=CC=CC(=C6O)CC7=CC=CC1=C7O)O)O)O,"InChI=1S/C42H36O6/c43-37-25-7-1-8-26(37)20-28-10-3-12-30(39(28)45)22-32-14-5-16-34(41(32)47)24-36-18-6-17-35(42(36)48)23-33-15-4-13-31(40(33)46)21-29-11-2-9-27(19-25)38(29)44/h1-18,43-48H,19-24H2",JLSWUKWFQCVKCL-UHFFFAOYSA-N,C42H36O6,636.7,636.2511889,9.4,121,745,0,6,6,0,48,,,0,0,0,0,0,1,0,1,0,0,1,0,0,1,0,0,1,0,1,1
"EXO-2,3-EPOXYNORBORNANE",003146-39-2,18463,"3-oxatricyclo[3.2.1.02,4]octane",C1CC2CC1C3C2O3,"InChI=1S/C7H10O/c1-2-5-3-4(1)6-7(5)8-6/h4-7H,1-3H2",OHNNZOOGWXZCPZ-UHFFFAOYSA-N,C7H10O,110.15,110.0731649,1.1,12.5,118,0,0,1,0,8,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"Norbornane, 2,3-epoxy-, exo-",3146-39-2,11789154,"(1R,2S,4R,5S)-3-oxatricyclo[3.2.1.02,4]octane",C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2O3,"InChI=1S/C7H10O/c1-2-5-3-4(1)6-7(5)8-6/h4-7H,1-3H2/t4-,5+,6+,7-",OHNNZOOGWXZCPZ-RNGGSSJXSA-N,C7H10O,110.15,110.0731649,1.1,12.5,118,0,0,1,0,8,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"Cyclohexanone, semicarbazone",1589-61-3,15320,(cyclohexylideneamino)urea,C1CCC(=NNC(=O)N)CC1,"InChI=1S/C7H13N3O/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5H2,(H3,8,10,11)",KZDDDHJBINUIKQ-UHFFFAOYSA-N,C7H13N3O,155.2,155.105862,0.2,67.5,169,0,2,2,1,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CYCLOHEXANONE OXIME,000100-64-1,7517,N-cyclohexylidenehydroxylamine,C1CCC(=NO)CC1,"InChI=1S/C6H11NO/c8-7-6-4-2-1-3-5-6/h8H,1-5H2",VEZUQRBDRNJBJY-UHFFFAOYSA-N,C6H11NO,113.16,113.084064,1.2,32.6,90,0,1,2,0,8,,"403 to 410 °F at 760 mmHg (NTP, 1992)",0,0,0,1,0,0,1,1,0,1,0,0,0,0,0,0,0,0,1,0
Tris(cyclopentadienyl)cerium,001298-53-9,102097,"cerium(3+);tris(cyclopenta-1,3-diene)",[CH-]1C=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Ce+3],InChI=1S/3C5H5.Ce/c3*1-2-4-5-3-1;/h3*1-5H;/q3*-1;+3,KDGBXTFCUISDFL-UHFFFAOYSA-N,C15H15Ce,335.39,335.02282,,0,86,0,0,3,0,16,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
TRIS(CYCLOPENTADIENYL)YTTERBIUM(III),001295-20-1,102096,"tris(cyclopenta-1,3-diene);ytterbium(3+)",[CH-]1C=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Yb+3],InChI=1S/3C5H5.Yb/c3*1-2-4-5-3-1;/h3*1-5H;/q3*-1;+3,JCWMQECJDTYOET-UHFFFAOYSA-N,C15H15Yb,368.3,369.056243,,0,86,0,0,3,0,16,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"1,1'-BIS(DIPHENYLPHOSPHINO)FERROCENE-PALLADIUM(II)DICHLORIDE DICHLOROMETHANE ADDUCT",095464-05-4,51341998,"bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);dichloromethane;dichloropalladium;iron(2+)",[CH-]1C=CC(=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[CH-]1C=CC(=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C(Cl)Cl.Cl[Pd]Cl.[Fe+2],InChI=1S/2C17H14P.CH2Cl2.2ClH.Fe.Pd/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;2-1-3;;;;/h2*1-14H;1H2;2*1H;;/q2*-1;;;;2*+2/p-2,SNRCKKQHDUIRIY-UHFFFAOYSA-L,C35H30Cl4FeP2Pd,816.6,815.89315,,0,504,0,0,2,6,43,,,1,1,1,1,0,1,1,1,0,1,0,0,0,0,0,0,1,0,0,1
"1,1'-BIS(DIPHENYLPHOSPHINO)FERROCENE",012150-46-8,15182658,"bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);iron(2+)",[CH-]1C=CC(=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[CH-]1C=CC(=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Fe+2],InChI=1S/2C17H14P.Fe/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;/h2*1-14H;/q2*-1;+2,KZPYGQFFRCFCPP-UHFFFAOYSA-N,C34H28FeP2,554.4,554.10156,,0,214,0,0,2,6,37,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-DIAZABICYCLO[2.2.2]OCTANE BIS(SULFUR DIOXIDE) ADDUCT",119752-83-9,75176251,"1,4-diazoniabicyclo[2.2.2]octane-1,4-disulfinate",C1C[N+]2(CC[N+]1(CC2)S(=O)[O-])S(=O)[O-],"InChI=1S/C6H12N2O4S2/c9-13(10)7-1-2-8(5-3-7,6-4-7)14(11)12/h1-6H2",RWISEVUOFYXWFO-UHFFFAOYSA-N,C6H12N2O4S2,240.3,240.0238492,-2.1,119,243,0,0,6,0,14,,,0,0,0,1,0,0,1,1,0,1,0,0,0,0,0,0,1,0,0,1
ETOPOSIDE,033419-42-0,36462,"(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O,"InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1",VJJPUSNTGOMMGY-MRVIYFEKSA-N,C29H32O13,588.6,588.1842911,0.6,161,969,0,3,13,5,42,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ETOPOSIDE PHOSPHATE,117091-64-2,6918092,"[4-[(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate",C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)OP(=O)(O)O)OC)O)O,"InChI=1S/C29H33O16P/c1-11-38-9-20-27(42-11)23(30)24(31)29(43-20)44-25-14-7-17-16(40-10-41-17)6-13(14)21(22-15(25)8-39-28(22)32)12-4-18(36-2)26(19(5-12)37-3)45-46(33,34)35/h4-7,11,15,20-25,27,29-31H,8-10H2,1-3H3,(H2,33,34,35)/t11-,15+,20-,21-,22+,23-,24-,25-,27-,29+/m1/s1",LIQODXNTTZAGID-OCBXBXKTSA-N,C29H33O16P,668.5,668.150622,-0.7,207,1140,0,4,16,7,46,,,0,0,0,1,0,1,1,0,0,1,1,0,0,1,0,0,0,0,1,0
BIS(METHOXYDIMETHYLSILYL)M-CARBORANE,017631-41-3,91980725,,[B]1[B][B][B][B]C2([B]C([B]2)([B][B][B]1)[Si](C)(C)OC)[Si](C)(C)OC,"InChI=1S/C8H18B10O2Si2/c1-19-21(3,4)7-9-8(10-7,22(5,6)20-2)12-14-16-18-17-15-13-11-7/h1-6H3",JCEDUOUWVSTNLH-UHFFFAOYSA-N,C8H18B10O2Si2,310.5,310.184848,,18.5,353,0,0,2,4,22,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,0
M-CARBORANE,016986-24-6,16212388,,[B]1[B][B][B][B]C2[B]C([B]2)[B][B][B]1,InChI=1S/C2H2B10/c3-1-4-2(3)6-8-10-12-11-9-7-5-1/h1-2H,JTWJUVSLJRLZFF-UHFFFAOYSA-N,C2H2B10,134.2,134.115965,,0,112,0,0,0,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HEXAMETHYLENETETRAAMINE HYDROCHLORIDE,058713-21-6,22339066,"1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane;hydrochloride",C1N2CN3CN1CN(C2)C3.Cl,InChI=1S/C6H12N4.ClH/c1-7-2-9-4-8(1)5-10(3-7)6-9;/h1-6H2;1H,NGDSBQHTMKGUQU-UHFFFAOYSA-N,C6H13ClN4,176.65,176.0828741,,13,84,0,1,4,0,11,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0
HEXAMETHYLENETETRAMINE,000100-97-0,4101,"1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane",C1N2CN3CN1CN(C2)C3,InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2,VKYKSIONXSXAKP-UHFFFAOYSA-N,C6H12N4,140.19,140.1061964,0.3,13,84,0,0,4,0,10,"482 °F (NTP, 1992)","Sublimes (NTP, 1992)",0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0
"1-(3-CHLOROALLYL)-3,5,7-TRIAZA-1-AZONIAADAMANTANE CHLORIDE",004080-31-3,20011,"1-(3-chloroprop-2-enyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane chloride",C1N2CN3CN1C[N+](C2)(C3)CC=CCl.[Cl-],"InChI=1S/C9H16ClN4.ClH/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14;/h1-2H,3-9H2;1H/q+1;/p-1",UKHVLWKBNNSRRR-UHFFFAOYSA-M,C9H16Cl2N4,251.15,250.0752019,,9.7,224,0,0,4,2,15,,Decomposes above 60 °C,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
P5P-TRIS TABLETS: DOWICIL 200,051229-78-8,6435993,"1-[(Z)-3-chloroprop-2-enyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane chloride",C1N2CN3CN1C[N+](C2)(C3)C/C=C\Cl.[Cl-],"InChI=1S/C9H16ClN4.ClH/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14;/h1-2H,3-9H2;1H/q+1;/p-1/b2-1-;",UKHVLWKBNNSRRR-ODZAUARKSA-M,C9H16Cl2N4,251.15,250.0752019,,9.7,224,0,0,4,2,15,,,0,0,0,1,0,0,1,0,0,1,0,0,0,1,0,0,1,1,0,0
"1,3,5,7-TETRAAZABICYCLO[3.3.1]NONANE, 3,7-DINITROSO-",000101-25-7,7549,"3,7-dinitroso-1,3,5,7-tetrazabicyclo[3.3.1]nonane",C1N2CN(CN1CN(C2)N=O)N=O,InChI=1S/C5H10N6O2/c12-6-10-2-8-1-9(4-10)5-11(3-8)7-13/h1-5H2,MWRWFPQBGSZWNV-UHFFFAOYSA-N,C5H10N6O2,186.17,186.0865236,0.3,71.8,189,0,0,8,0,13,,,0,0,1,1,0,0,0,1,0,1,0,0,1,0,0,1,0,1,0,1
"1,3,5,7-Tetraazabicyclo(3.3.1)nonane, 3,7-dinitro-",949-56-4,70363,"3,7-dinitro-1,3,5,7-tetrazabicyclo[3.3.1]nonane",C1N2CN(CN1CN(C2)[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C5H10N6O4/c12-10(13)8-2-6-1-7(4-8)5-9(3-6)11(14)15/h1-5H2,UOYIYWCAYFTQLH-UHFFFAOYSA-N,C5H10N6O4,218.17,218.0763528,1.2,105,246,0,0,8,0,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PEROXYDICARBONIC ACID, BIS[4-(1,1-DIMETHYLETHYL)CYCLOHEXYL] ESTER",015520-11-3,84964,(4-tert-butylcyclohexyl) (4-tert-butylcyclohexyl)oxycarbonyloxy carbonate,CC(C)(C)C1CCC(CC1)OC(=O)OOC(=O)OC2CCC(CC2)C(C)(C)C,"InChI=1S/C22H38O6/c1-21(2,3)15-7-11-17(12-8-15)25-19(23)27-28-20(24)26-18-13-9-16(10-14-18)22(4,5)6/h15-18H,7-14H2,1-6H3",NOBYOEQUFMGXBP-UHFFFAOYSA-N,C22H38O6,398.5,398.2668389,7.5,71.1,466,0,0,6,9,28,,,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,0,0
"PEROXYDICARBONIC ACID, DICYCLOHEXYL ESTER",001561-49-5,73797,cyclohexyl cyclohexyloxycarbonyloxy carbonate,C1CCC(CC1)OC(=O)OOC(=O)OC2CCCCC2,"InChI=1S/C14H22O6/c15-13(17-11-7-3-1-4-8-11)19-20-14(16)18-12-9-5-2-6-10-12/h11-12H,1-10H2",BLCKNMAZFRMCJJ-UHFFFAOYSA-N,C14H22O6,286.32,286.1416384,4.6,71.1,286,0,0,6,7,20,,,0,0,0,0,0,0,1,1,0,0,0,0,1,0,0,1,1,0,0,0
DICUMYL PEROXIDE,000080-43-3,6641,2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene,CC(C)(C1=CC=CC=C1)OOC(C)(C)C2=CC=CC=C2,"InChI=1S/C18H22O2/c1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3",XMNIXWIUMCBBBL-UHFFFAOYSA-N,C18H22O2,270.4,270.1619799,4.3,18.5,254,0,0,2,5,20,"Di-cup r, 160 °F (closed cup); di-cup t, 160 °F (closed cup)","266 °F at 760 mmHg (decomposes) (NTP, 1992)",0,0,0,0,0,0,1,1,0,0,0,0,1,1,0,1,1,0,0,0
"PEROXIDE, 1-METHYL-1-[(1-METHYLETHYL)PHENYL]ETHYL 1-METHYL-1-PHENYLETHYL",071566-50-2,3085518,1-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]-4-propan-2-ylbenzene,CC(C)C1=CC=C(C=C1)C(C)(C)OOC(C)(C)C2=CC=CC=C2,"InChI=1S/C21H28O2/c1-16(2)17-12-14-19(15-13-17)21(5,6)23-22-20(3,4)18-10-8-7-9-11-18/h7-16H,1-6H3",XEFAUYWDKZORII-UHFFFAOYSA-N,C21H28O2,312.4,312.2089301,5.4,18.5,345,0,0,2,6,23,,,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0,0
"1,1',3,3,3'3'-HEXAMETHYL-2,2'-INDOTRICARBOCYANINE PERCHLORATE",016595-48-5,5702731,"(2E)-1,3,3-trimethyl-2-[(2E,4E,6E)-7-(1,3,3-trimethylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]indole perchlorate",CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C/C=C/3\C(C4=CC=CC=C4N3C)(C)C)C)C.[O-]Cl(=O)(=O)=O,"InChI=1S/C29H33N2.ClHO4/c1-28(2)22-16-12-14-18-24(22)30(5)26(28)20-10-8-7-9-11-21-27-29(3,4)23-17-13-15-19-25(23)31(27)6;2-1(3,4)5/h7-21H,1-6H3;(H,2,3,4,5)/q+1;/p-1",NHQOULZCPKJYMM-UHFFFAOYSA-M,C29H33ClN2O4,509,508.2128852,,80.5,852,0,0,5,4,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HITC IODIDE,019764-96-6,89218,"1,3,3-trimethyl-2-[7-(1,3,3-trimethylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]indole iodide",CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=CC=C3C(C4=CC=CC=C4N3C)(C)C)C)C.[I-],"InChI=1S/C29H33N2.HI/c1-28(2)22-16-12-14-18-24(22)30(5)26(28)20-10-8-7-9-11-21-27-29(3,4)23-17-13-15-19-25(23)31(27)6;/h7-21H,1-6H3;1H/q+1;/p-1",JKXWXYURKUEZHV-UHFFFAOYSA-M,C29H33IN2,536.5,536.16885,,6.3,756,0,0,2,4,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
0-PHENANTHROLINE FERROUS PERCHLORATE,014586-54-0,84537,"iron(2+);tris(1,10-phenanthroline);diperchlorate",C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+2],"InChI=1S/3C12H8N2.2ClHO4.Fe/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*2-1(3,4)5;/h3*1-8H;2*(H,2,3,4,5);/q;;;;;+2/p-2",QIZDTKUCQUZJHS-UHFFFAOYSA-L,C36H24Cl2FeN6O8,795.4,794.038203,,226,278,0,0,14,0,53,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"IRON(2+), TRIS(1,10-PHENANTHROLINE-N1,N10)-, (OC-6-11)-, SULFATE (1:1)",014634-91-4,84567,"iron(2+);tris(1,10-phenanthroline);sulfate",C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[O-]S(=O)(=O)[O-].[Fe+2],"InChI=1S/3C12H8N2.Fe.H2O4S/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;1-5(2,3)4/h3*1-8H;;(H2,1,2,3,4)/q;;;+2;/p-2",CIWXFRVOSDNDJZ-UHFFFAOYSA-L,C36H24FeN6O4S,692.5,692.09291,,166,245,0,0,10,0,48,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
N-TERT-BUTYL-O-[1-(4-(CHLOROMETHYL)PHENYL]ETHYL]-N-(2-METHYL-1-PHENYLPROPYL)HYDROXYLAMINE,227000-85-3,22733773,N-tert-butyl-N-[1-[4-(chloromethyl)phenyl]ethoxy]-2-methyl-1-phenylpropan-1-amine,CC(C)C(C1=CC=CC=C1)N(C(C)(C)C)OC(C)C2=CC=C(C=C2)CCl,"InChI=1S/C23H32ClNO/c1-17(2)22(21-10-8-7-9-11-21)25(23(4,5)6)26-18(3)20-14-12-19(16-24)13-15-20/h7-15,17-18,22H,16H2,1-6H3",WZYBDTCNEIULNZ-UHFFFAOYSA-N,C23H32ClNO,374,373.2172423,6.4,12.5,392,0,0,2,8,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
N-TERT-BUTYL-N-(2-METHYL-1-PHENYLPROPYL)-O-(1-PHENYLETHYL)HYDROXYLAMINE,227000-59-1,6712809,N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine,CC(C)C(C1=CC=CC=C1)N(C(C)(C)C)OC(C)C2=CC=CC=C2,"InChI=1S/C22H31NO/c1-17(2)21(20-15-11-8-12-16-20)23(22(4,5)6)24-18(3)19-13-9-7-10-14-19/h7-18,21H,1-6H3",FPFRTDOMIFBPBZ-UHFFFAOYSA-N,C22H31NO,325.5,325.2405646,6,12.5,347,0,0,2,7,24,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
LD 700 PERCHLORATE,063561-42-2,25229602,"16-(trifluoromethyl)-3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaene perchlorate",C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C(F)(F)F)CCC7.[O-]Cl(=O)(=O)=O,"InChI=1S/C26H26F3N2O.ClHO4/c27-26(28,29)21-19-13-15-5-1-9-30-11-3-7-17(22(15)30)24(19)32-25-18-8-4-12-31-10-2-6-16(23(18)31)14-20(21)25;2-1(3,4)5/h13-14H,1-12H2;(H,2,3,4,5)/q+1;/p-1",HTNRBNPBWAFIKA-UHFFFAOYSA-M,C26H26ClF3N2O5,538.9,538.1482341,,89.8,1020,0,0,9,0,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
RHODAMINE 800,101027-54-7,127750,"3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaene-16-carbonitrile perchlorate",C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C#N)CCC7.[O-]Cl(=O)(=O)=O,"InChI=1S/C26H26N3O.ClHO4/c27-15-22-20-13-16-5-1-9-28-11-3-7-18(23(16)28)25(20)30-26-19-8-4-12-29-10-2-6-17(24(19)29)14-21(22)26;2-1(3,4)5/h13-14H,1-12H2;(H,2,3,4,5)/q+1;/p-1",HACOCUMLBPNDIN-UHFFFAOYSA-M,C26H26ClN3O5,496,495.1560986,,114,1020,0,0,7,0,35,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,8-DIAZABICYCLO(5.4.0)UNDEC-7-ENE (1,5-5)",006674-22-2,81184,"2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine",C1CCC2=NCCCN2CC1,InChI=1S/C9H16N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h1-8H2,GQHTUMJGOHRCHB-UHFFFAOYSA-N,C9H16N2,152.24,152.1313485,1.4,15.6,163,0,0,1,0,11,,,0,1,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,0
"6-(DIBUTYLAMINO)-1,8-DIAZABICYCLO[5.4.0]UNDEC-7-ENE",106847-76-1,3945075,"N,N-dibutyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-amine",CCCCN(CCCC)C1CCCCN2C1=NCCC2,"InChI=1S/C17H33N3/c1-3-5-12-19(13-6-4-2)16-10-7-8-14-20-15-9-11-18-17(16)20/h16H,3-15H2,1-2H3",MGKYTFDYDXZTEM-UHFFFAOYSA-N,C17H33N3,279.5,279.2674481,3.2,18.8,293,0,0,2,7,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
AFLATOXIN G1,001165-39-5,2724361,"(3S,7R)-11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,4,9,11,13(18)-pentaene-17,19-dione",COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1,"InChI=1S/C17H12O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h3,5-6,8,17H,2,4H2,1H3/t8-,17+/m0/s1",XWIYFDMXXLINPU-WNWIJWBNSA-N,C17H12O7,328.27,328.0583027,1.8,80.3,666,0,0,7,1,24,,,0,1,1,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
ENDRIN,000072-20-8,12358480,"(1R,2R,3R,6S,7S,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene",C1[C@@H]2[C@@H]3[C@H]([C@H]1[C@H]4[C@@H]2O4)[C@@]5(C(=C([C@]3(C5(Cl)Cl)Cl)Cl)Cl)Cl,"InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3+,4-,5+,6-,7+,10-,11+",DFBKLUNHFCTMDC-GKRDHZSOSA-N,C12H8Cl6O,380.9,379.867681,3.7,12.5,516,0,0,1,0,19,"Commercial product may contain flammable liquid with flashpoint 80F. (EPA, 1998)","Decomposes (NTP, 1992)",1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DIELDRIN,000060-57-1,969491,"(1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene",C1[C@@H]2[C@H]3[C@@H]([C@H]1[C@H]4[C@@H]2O4)[C@]5(C(=C([C@@]3(C5(Cl)Cl)Cl)Cl)Cl)Cl,"InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3+,4+,5-,6-,7+,10+,11-",DFBKLUNHFCTMDC-PICURKEMSA-N,C12H8Cl6O,380.9,379.867681,3.7,12.5,516,0,0,1,0,19,,"Decomposes (NIOSH, 2024)",1,1,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
DIPHENYLMERCURY,000587-85-9,11488,diphenylmercury,C1=CC=C(C=C1)[Hg]C2=CC=CC=C2,InChI=1S/2C6H5.Hg/c2*1-2-4-6-5-3-1;/h2*1-5H;,HWMTUNCVVYPZHZ-UHFFFAOYSA-N,C12H10Hg,354.8,356.048894,,0,116,0,0,0,2,13,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
BIS(4-METHYLPHENYL)MERCURY,000537-64-4,10840,bis(4-methylphenyl)mercury,CC1=CC=C(C=C1)[Hg]C2=CC=C(C=C2)C,"InChI=1S/2C7H7.Hg/c2*1-7-5-3-2-4-6-7;/h2*3-6H,1H3;",DYGWZUBGVKYLJJ-UHFFFAOYSA-N,C14H14Hg,382.85,384.080194,,0,154,0,0,0,2,15,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
ALDRIN,000309-00-2,12310947,"(1S,2S,3S,6R,7R,8R)-1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene",C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2[C@]4(C(=C([C@@]3(C4(Cl)Cl)Cl)Cl)Cl)Cl,"InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6+,7-,10+,11-",QBYJBZPUGVGKQQ-SJJAEHHWSA-N,C12H8Cl6,364.9,363.872766,4.5,0,481,0,0,0,0,18,"Approximately 150F or higher (EPA, 1998)","293 °F at 2 mmHg (decomposes) (EPA, 1998)",1,1,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
ISODRIN,000465-73-6,12310946,"(1S,2S,3R,6S,7R,8R)-1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene",C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2[C@@]4(C(=C([C@]3(C4(Cl)Cl)Cl)Cl)Cl)Cl,"InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6-,7+,10-,11+",QBYJBZPUGVGKQQ-DIFDVCDBSA-N,C12H8Cl6,364.9,363.872766,4.5,0,481,0,0,0,0,18,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ALPHA-AMANITIN,023109-05-9,9543442,"2-[(1R,4S,8R,10S,13S,16S,27R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide",CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H]2C[S@@](=O)C3=C(C[C@@H](C(=O)NCC(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](NC2=O)CC(=O)N)O)[C@@H](C)[C@H](CO)O)C5=C(N3)C=C(C=C5)O,"InChI=1S/C39H54N10O14S/c1-4-16(2)31-36(60)42-11-29(55)43-25-15-64(63)38-21(20-6-5-18(51)7-22(20)46-38)9-23(33(57)41-12-30(56)47-31)44-37(61)32(17(3)27(53)14-50)48-35(59)26-8-19(52)13-49(26)39(62)24(10-28(40)54)45-34(25)58/h5-7,16-17,19,23-27,31-32,46,50-53H,4,8-15H2,1-3H3,(H2,40,54)(H,41,57)(H,42,60)(H,43,55)(H,44,61)(H,45,58)(H,47,56)(H,48,59)/t16-,17-,19+,23-,24-,25-,26-,27-,31-,32-,64+/m0/s1",CIORWBWIBBPXCG-SXZCQOKQSA-N,C39H54N10O14S,919,918.3541676,-4.4,400,1840,0,13,15,7,64,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"9,18-(Iminoethaniminoethaniminoethaniminomethano)pyrrolo(1',2':8,9)(1,5,8,11,14)thiatetraazacyclooctadecino(18,17-b)indole-6-acetic acid, 1,2,3,5,6,7,8,9,10,12,17,18,19,20,21,22,23,23a-octadecahydro-29-sec-butyl-2,14-dihydroxy-21-(2,3-dihydroxy-1-methylpropyl)-5,8,20,23,24,27,30,33-octaoxo-, 11-oxide",21150-22-1,76959217,"2-[(1R,4S,8R,10S,13S,16S,27R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetic acid",CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H]2C[S@@](=O)C3=C(C[C@@H](C(=O)NCC(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](NC2=O)CC(=O)O)O)[C@@H](C)[C@H](CO)O)C5=C(N3)C=C(C=C5)O,"InChI=1S/C39H53N9O15S/c1-4-16(2)31-36(60)41-11-28(53)42-25-15-64(63)38-21(20-6-5-18(50)7-22(20)45-38)9-23(33(57)40-12-29(54)46-31)43-37(61)32(17(3)27(52)14-49)47-35(59)26-8-19(51)13-48(26)39(62)24(10-30(55)56)44-34(25)58/h5-7,16-17,19,23-27,31-32,45,49-52H,4,8-15H2,1-3H3,(H,40,57)(H,41,60)(H,42,53)(H,43,61)(H,44,58)(H,46,54)(H,47,59)(H,55,56)/t16-,17-,19+,23-,24-,25-,26-,27-,31-,32-,64+/m0/s1",IEQCUEXVAPAFMQ-SXZCQOKQSA-N,C39H53N9O15S,920,919.3381832,-3.8,394,1840,0,13,16,7,64,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MONENSIN SODIUM,022373-78-0,23667299,"sodium (2S,3R,4S)-4-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoate",CC[C@]1(CC[C@@H](O1)[C@@]2(CC[C@@]3(O2)C[C@@H]([C@H]([C@H](O3)[C@@H](C)[C@H]([C@H](C)C(=O)[O-])OC)C)O)C)[C@H]4[C@H](C[C@@H](O4)[C@@H]5[C@H](C[C@H]([C@@](O5)(CO)O)C)C)C.[Na+],"InChI=1S/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-;/m0./s1",XOIQMTLWECTKJL-FBZUZRIGSA-M,C36H61NaO11,692.9,692.411157,,156,1110,0,3,11,10,48,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,6-Dioxaspiro(4.5)decane-7-butyric acid, 2-(5-ethyltetrahydro-5-(tetrahydro-3-methyl-5-(tetrahydro-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2H-pyran-2-yl)-2-furyl)-2-furyl)-9-hydroxy-beta-methoxy-alpha,gamma,2,8-tetramethyl-",17090-79-8,441145,"(2S,3R,4S)-4-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid",CC[C@]1(CC[C@@H](O1)[C@@]2(CC[C@@]3(O2)C[C@@H]([C@H]([C@H](O3)[C@@H](C)[C@H]([C@H](C)C(=O)O)OC)C)O)C)[C@H]4[C@H](C[C@@H](O4)[C@@H]5[C@H](C[C@H]([C@@](O5)(CO)O)C)C)C,"InChI=1S/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-/m0/s1",GAOZTHIDHYLHMS-KEOBGNEYSA-N,C36H62O11,670.9,670.4292128,4.2,153,1110,0,4,11,10,47,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1
ERGOSTEROL,000057-87-4,444679,"(3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol",C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C,"InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1",DNVPQKQSNYMLRS-APGDWVJJSA-N,C28H44O,396.6,396.339216,7.4,20.2,712,0,1,1,4,29,,250 °C at 0.01 mm Hg,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
MITHRAMYCIN,018378-89-7,163659,"(2S,3S)-2-[(2S,4R,5R,6R)-4-[(2S,4R,5S,6R)-4-[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-6-[(2S,4R,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one",C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2C[C@@H](O[C@@H]([C@H]2O)C)OC3=CC4=CC5=C(C(=O)[C@H]([C@@H](C5)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O)O[C@H]7C[C@H]([C@H]([C@H](O7)C)O)O[C@H]8C[C@]([C@@H]([C@H](O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O,"InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43-,44-,45+,49+,50+,51-,52+/m1/s1",CFCUWKMKBJTWLW-BKHRDMLASA-N,C52H76O24,1085.1,1084.472653,0.6,358,1940,0,11,24,15,76,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"6,6''-DIBROMO-2,2':6',2''-TERPYRIDINE",100366-66-3,4226981,"2,6-bis(6-bromo-2-pyridinyl)pyridine",C1=CC(=NC(=C1)C2=NC(=CC=C2)Br)C3=NC(=CC=C3)Br,InChI=1S/C15H9Br2N3/c16-14-8-2-6-12(19-14)10-4-1-5-11(18-10)13-7-3-9-15(17)20-13/h1-9H,PYMBATDYUCQLBC-UHFFFAOYSA-N,C15H9Br2N3,391.06,390.91427,4.2,38.7,287,0,0,3,2,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
R-(-)-3-QUINUCLIDINYL BENZILATE,006581-06-2,23056,"1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-diphenylacetate",C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O,"InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2",HGMITUYOCPPQLE-UHFFFAOYSA-N,C21H23NO3,337.4,337.1677936,3.3,49.8,442,0,1,4,5,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propionic acid, 2,2-diphenyl-3-hydroxy-, 3-quinuclidinyl ester, hydrochloride",80381-27-7,2965198,"1-azabicyclo[2.2.2]octan-3-yl 3-hydroxy-2,2-diphenylpropanoate;hydrochloride",C1CN2CCC1C(C2)OC(=O)C(CO)(C3=CC=CC=C3)C4=CC=CC=C4.Cl,"InChI=1S/C22H25NO3.ClH/c24-16-22(18-7-3-1-4-8-18,19-9-5-2-6-10-19)21(25)26-20-15-23-13-11-17(20)12-14-23;/h1-10,17,20,24H,11-16H2;1H",ULVRUFZFMLYNJC-UHFFFAOYSA-N,C22H26ClNO3,387.9,387.1601214,,49.8,456,0,2,4,6,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Tetrodotoxin, citrate (1:1) (salt)",18660-81-6,21127582,"(1R,5R,6R,7R,9S,11S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol;2-hydroxypropane-1,2,3-tricarboxylic acid",C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C([C@@]1([C@H]2[C@@H]3[C@H](N=C(N[C@]34[C@@H]([C@](O2)(O[C@H]1C4O)O)O)N)O)O)O,"InChI=1S/C11H17N3O8.C6H8O7/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-7,15-20H,1H2,(H3,12,13,14);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t2-,3?,4-,5+,6-,7+,9+,10-,11+;/m1./s1",YUJWMDOXROTQCW-CREXYEDTSA-N,C17H25N3O15,511.4,511.1285671,,322,789,0,12,16,6,35,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRODOTOXIN,004368-28-9,11174599,"(1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol",C([C@@]1([C@H]2[C@@H]3[C@H](N=C(N[C@@]34[C@@H]([C@@H]1O[C@]([C@H]4O)(O2)O)O)N)O)O)O,"InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3-,4-,5+,6-,7+,9+,10-,11+/m1/s1",CFMYXEVWODSLAX-QOZOJKKESA-N,C11H17N3O8,319.27,319.1015645,-5.9,190,561,0,8,9,1,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BLASTICIDIN-S,002079-00-7,170012,"(2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid",CN(CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)N)N)C(=N)N,"InChI=1S/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9-,10-,13+,14-/m0/s1",CXNPLSGKWMLZPZ-ZNIXKSQXSA-N,C17H26N8O5,422.4,422.202616,-5.2,213,795,0,6,7,9,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-BIS(2,6-DIISOPROPYLPHENYL)IMIDAZOLIUM CHLORIDE",250285-32-6,2734913,"1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium chloride",CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2)C3=C(C=CC=C3C(C)C)C(C)C.[Cl-],"InChI=1S/C27H37N2.ClH/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;/h9-21H,1-8H3;1H/q+1;/p-1",AVJBQMXODCVJCJ-UHFFFAOYSA-M,C27H37ClN2,425,424.2645269,,8.8,421,0,0,1,6,30,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"1,3-BIS(2,4,6-TRIMETHYLPHENYL)IMIDAZOLIUM CHLORIDE",141556-45-8,2734211,"1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium chloride",CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2)C3=C(C=C(C=C3C)C)C)C.[Cl-],"InChI=1S/C21H25N2.ClH/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;/h7-13H,1-6H3;1H/q+1;/p-1",OTOSIXGMLYKKOW-UHFFFAOYSA-M,C21H25ClN2,340.9,340.1706265,,8.8,335,0,0,1,2,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LORNOXICAM,070374-39-9,54690031,"6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide",CN1C(=C(C2=C(S1(=O)=O)C=C(S2)Cl)O)C(=O)NC3=CC=CC=N3,"InChI=1S/C13H10ClN3O4S2/c1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12/h2-6,18H,1H3,(H,15,16,19)",WLHQHAUOOXYABV-UHFFFAOYSA-N,C13H10ClN3O4S2,371.8,370.9801258,2.1,136,634,0,2,7,2,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CONCANAMYCIN A,080890-47-7,6438151,"[(2R,3S,4R,6R)-6-[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-4-yl]oxy-4-hydroxy-2-methyloxan-3-yl] carbamate",CC[C@H]1[C@H]([C@@H](C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)/C=C/C)C)O[C@H]3C[C@H]([C@@H]([C@H](O3)C)OC(=O)N)O)O)O)OC)/C)C)O,"InChI=1S/C46H75NO14/c1-13-16-34-28(7)37(58-38-22-33(48)43(31(10)57-38)60-45(47)53)23-46(54,61-34)30(9)41(51)29(8)42-35(55-11)18-15-17-24(3)19-26(5)39(49)32(14-2)40(50)27(6)20-25(4)21-36(56-12)44(52)59-42/h13,15-18,20-21,26-35,37-43,48-51,54H,14,19,22-23H2,1-12H3,(H2,47,53)/b16-13+,18-15+,24-17+,25-20+,36-21-/t26-,27-,28-,29+,30+,31-,32+,33-,34-,35+,37-,38+,39+,40-,41-,42-,43-,46-/m1/s1",DJZCTUVALDDONK-HQMSUKCRSA-N,C46H75NO14,866.1,865.5187561,6,226,1580,0,6,14,12,61,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Concanamycin A, 4'-O-de(aminocarbonyl)-",81552-34-3,90477419,"(3Z,5E,7R,8R,9S,10S,11R,13E,15E,17S,18R)-18-[(2S,3R,4S)-4-[(2R,4R,5S,6R)-4-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3-hydroxypentan-2-yl]-9-ethyl-8,10-dihydroxy-3,17-dimethoxy-5,7,11,13-tetramethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one",CC[C@H]1[C@H]([C@@H](C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)/C=C/C)C)O[C@H]3C[C@H]([C@@H]([C@H](O3)C)O)O)O)O)OC)/C)C)O,"InChI=1S/C45H74O13/c1-13-16-34-28(7)37(56-38-22-33(46)42(50)31(10)55-38)23-45(52,58-34)30(9)41(49)29(8)43-35(53-11)18-15-17-24(3)19-26(5)39(47)32(14-2)40(48)27(6)20-25(4)21-36(54-12)44(51)57-43/h13,15-18,20-21,26-35,37-43,46-50,52H,14,19,22-23H2,1-12H3/b16-13+,18-15+,24-17+,25-20+,36-21-/t26-,27-,28-,29+,30+,31-,32+,33-,34-,35+,37-,38+,39+,40-,41-,42-,43-,45-/m1/s1",XKYYLWWOGLVPOR-GKJVGUBMSA-N,C45H74O13,823.1,822.5129424,6,194,1460,0,6,13,10,58,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ACETAMIDE, N-[4-[(2-PYRIDINYLAMINO)SULFONYL]PHENYL]-",019077-98-6,58638,N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide,CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=N2,"InChI=1S/C13H13N3O3S/c1-10(17)15-11-5-7-12(8-6-11)20(18,19)16-13-4-2-3-9-14-13/h2-9H,1H3,(H,14,16)(H,15,17)",CYLYVXPHAQLXFG-UHFFFAOYSA-N,C13H13N3O3S,291.33,291.0677625,-0.1,96.5,425,0,2,5,4,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenesulfonamide, 4-amino-N-(2-pyridinyl)-",000144-83-2,5336,4-amino-N-pyridin-2-ylbenzenesulfonamide,C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N,"InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)",GECHUMIMRBOMGK-UHFFFAOYSA-N,C11H11N3O2S,249.29,249.0571978,0,93.5,331,0,2,5,3,17,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,1,0,1
PHOSFOLAN,000947-02-4,13689,"N-diethoxyphosphoryl-1,3-dithiolan-2-imine",CCOP(=O)(N=C1SCCS1)OCC,"InChI=1S/C7H14NO3PS2/c1-3-10-12(9,11-4-2)8-7-13-5-6-14-7/h3-6H2,1-2H3",ILBONRFSLATCRE-UHFFFAOYSA-N,C7H14NO3PS2,255.3,255.0152727,0.6,98.5,241,0,0,6,5,14,,"239 to 244.4 °F at 0.001 mmHg (EPA, 1998)",0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MEPHOSFOLAN,000950-10-7,9568069,"(E)-N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine",CCOP(=O)(/N=C/1\SCC(S1)C)OCC,"InChI=1S/C8H16NO3PS2/c1-4-11-13(10,12-5-2)9-8-14-6-7(3)15-8/h7H,4-6H2,1-3H3/b9-8+",LTQSAUHRSCMPLD-CMDGGOBGSA-N,C8H16NO3PS2,269.3,269.0309227,1,98.5,275,0,0,6,5,15,,"248 °F at 0.001 mmHg (EPA, 1998)",0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CHLOROPHACINONE,003691-35-8,19402,"2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione",C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)C(=O)C3C(=O)C4=CC=CC=C4C3=O,"InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H",UDHXJZHVNHGCEC-UHFFFAOYSA-N,C23H15ClO3,374.8,374.070972,4.3,51.2,562,0,0,3,4,27,,No boiling point at normal pressure; decomposes at 250 °C,1,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
DIPHACINONE,000082-66-6,6719,"2-(2,2-diphenylacetyl)indene-1,3-dione",C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C3C(=O)C4=CC=CC=C4C3=O,"InChI=1S/C23H16O3/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H",JYGLAHSAISAEAL-UHFFFAOYSA-N,C23H16O3,340.4,340.1099444,3.7,51.2,512,0,0,3,4,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"2(4H)-BENZOFURANONE, 5,6,7,7A-TETRAHYDRO-4,4,7A-TRIMETHYL-",015356-74-8,27209,"4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one",CC1(CCCC2(C1=CC(=O)O2)C)C,"InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3",IMKHDCBNRDRUEB-UHFFFAOYSA-N,C11H16O2,180.24,180.1150297,2.2,26.3,288,0,0,2,0,13,,295.00 to 296.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2(4H)-BENZOFURANONE, 5,6,7,7A-TETRAHYDRO-3,6-DIMETHYL-",013341-72-5,94349,"3,6-dimethyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one",CC1CCC2=C(C(=O)OC2C1)C,"InChI=1S/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6,9H,3-5H2,1-2H3",VUVQBYIJRDUVHT-UHFFFAOYSA-N,C10H14O2,166.22,166.0993797,1.9,26.3,253,0,0,2,0,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Formamide, N-(2-hydroxy-5-(1-hydroxy-2-((2-(4-methoxyphenyl)-1-methylethyl)ami",043229-80-7,53477580,(E)-but-2-enedioic acid;bis(N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide),C[C@H](CC1=CC=C(C=C1)OC)NC[C@@H](C2=CC(=C(C=C2)O)NC=O)O.C[C@H](CC1=CC=C(C=C1)OC)NC[C@@H](C2=CC(=C(C=C2)O)NC=O)O.C(=C/C(=O)O)\C(=O)O,"InChI=1S/2C19H24N2O4.C4H4O4/c2*1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22;5-3(6)1-2-4(7)8/h2*3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*13-,19+;/m11./s1",OBRNDARFFFHCGE-QDSVTUBZSA-N,C42H52N4O12,804.9,804.3581731,,256,507,0,10,14,18,58,,,0,0,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,1
FORMOTEROL FUMARATE DIHYDRATE,183814-30-4,9919001,(E)-but-2-enedioic acid;bis(N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide);dihydrate,CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O.CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O.C(=C/C(=O)O)\C(=O)O.O.O,"InChI=1S/2C19H24N2O4.C4H4O4.2H2O/c2*1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22;5-3(6)1-2-4(7)8;;/h2*3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22);1-2H,(H,5,6)(H,7,8);2*1H2/b;;2-1+;;",RATSWNOMCHFQGJ-XODSYJLDSA-N,C42H56N4O14,840.9,840.3793025,,258,507,0,12,16,18,60,,,0,0,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,1
"STRYCHNIDIN-10-ONE, 2,3-DIMETHOXY-, MONO[(R)-1-METHYLHEPTYL 1,2-BENZENEDICARBO",068239-26-9,176352,"(4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;3-[(2R)-octan-2-yl]phthalic acid",CCCCCC[C@@H](C)C1=C(C(=CC=C1)C(=O)O)C(=O)O.COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC,"InChI=1S/C23H26N2O4.C16H22O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;1-3-4-5-6-8-11(2)12-9-7-10-13(15(17)18)14(12)16(19)20/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;7,9-11H,3-6,8H2,1-2H3,(H,17,18)(H,19,20)/t13-,18-,19-,21-,22-,23+;11-/m01/s1",AIGCMVGMKTZIPN-IOKCYJPOSA-N,C39H48N2O8,672.8,672.3410665,,126,1110,0,2,9,10,49,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"STRYCHNIDIN-10-ONE, 2,3-DIMETHOXY-, COMPD. WITH (S)-MONO(1-METHYLHEPTYL)-1,2-B",068310-42-9,90684542,"(4aR,5aS,8aR,13aR,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;3-[(2S)-octan-2-yl]phthalic acid",CCCCCC[C@H](C)C1=C(C(=CC=C1)C(=O)O)C(=O)O.COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC,"InChI=1S/C23H26N2O4.C16H22O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;1-3-4-5-6-8-11(2)12-9-7-10-13(15(17)18)14(12)16(19)20/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;7,9-11H,3-6,8H2,1-2H3,(H,17,18)(H,19,20)/t13-,18-,19-,21-,22+,23+;11-/m00/s1",AIGCMVGMKTZIPN-LXQMEPLDSA-N,C39H48N2O8,672.8,672.3410665,,126,1110,0,2,9,10,49,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-((1-(phenylmethyl)-4-piperidinyl)methyl)-",120014-06-4,3152,"2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one",COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC,"InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3",ADEBPBSSDYVVLD-UHFFFAOYSA-N,C24H29NO3,379.5,379.2147438,4.3,38.8,510,0,0,4,6,28,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"beta-Alanine, N,N-dimethyl-, 5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydro",138605-00-2,444028,"[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 3-(dimethylamino)propanoate;hydrochloride",CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)OC(=O)CCN(C)C.Cl,"InChI=1S/C27H43NO8.ClH/c1-10-24(5)15-18(31)27(33)25(6)17(30)11-13-23(3,4)21(25)20(35-19(32)12-14-28(8)9)22(34-16(2)29)26(27,7)36-24;/h10,17,20-22,30,33H,1,11-15H2,2-9H3;1H/t17-,20-,21-,22-,24-,25-,26+,27-;/m0./s1",VIRRLEDAYYYTOD-YHEOSNBFSA-N,C27H44ClNO8,546.1,545.2755451,,123,933,0,3,9,8,37,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
FORSKOLIN,066575-29-9,47936,"[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] acetate",CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O,"InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1",OHCQJHSOBUTRHG-KGGHGJDLSA-N,C22H34O7,410.5,410.2304534,1,113,747,0,3,7,3,29,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIHYROETORPHINE,014357-76-7,107765,"(1S,2S,6R,14R,15R,16R)-16-[(2R)-2-hydroxypentan-2-yl]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol",CCC[C@](C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)C)OC)O,"InChI=1S/C25H35NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,17-18,21,27-28H,5,8-14H2,1-4H3/t17-,18-,21-,22-,23-,24+,25-/m1/s1",BRTSNYPDACNMIP-FAWZKKEFSA-N,C25H35NO4,413.5,413.2566086,3.8,62.2,732,0,2,5,4,30,,,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
ESZOPICLONE,138729-47-2,969472,"[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate",CN1CCN(CC1)C(=O)O[C@H]2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl,"InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/t16-/m0/s1",GBBSUAFBMRNDJC-INIZCTEOSA-N,C17H17ClN6O3,388.8,388.1050661,0.5,91.8,573,0,0,7,3,27,,,0,1,1,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
"PHALLOIDIN, CF DYE CONJUGATES",,441542,"(1S,14R,18S,20S,23S,28S,31S,34R)-28-[(2R)-2,3-dihydroxy-2-methylpropyl]-18-hydroxy-34-[(1S)-1-hydroxyethyl]-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone",C[C@H]1C(=O)N[C@H]2CC3=C(NC4=CC=CC=C34)SC[C@@H](C(=O)N5C[C@H](C[C@H]5C(=O)N1)O)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)C[C@](C)(CO)O)C)[C@H](C)O,"InChI=1S/C35H48N8O11S/c1-15-27(47)38-22-10-20-19-7-5-6-8-21(19)41-33(20)55-13-24(34(53)43-12-18(46)9-25(43)31(51)37-15)40-32(52)26(17(3)45)42-28(48)16(2)36-30(50)23(39-29(22)49)11-35(4,54)14-44/h5-8,15-18,22-26,41,44-46,54H,9-14H2,1-4H3,(H,36,50)(H,37,51)(H,38,47)(H,39,49)(H,40,52)(H,42,48)/t15-,16-,17-,18-,22-,23-,24-,25-,26+,35+/m0/s1",KPKZJLCSROULON-QKGLWVMZSA-N,C35H48N8O11S,788.9,788.3163256,-1.7,317,1510,0,11,12,4,55,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
7-(5-AMINO-4-HYDROXY-L-LEUCINE) PHALLOIDIN,087876-22-0,3071392,"28-(3-amino-2-hydroxy-2-methylpropyl)-18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone",CC1C(=O)NC2CC3=C(NC4=CC=CC=C34)SCC(C(=O)N5CC(CC5C(=O)N1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(C)(CN)O)C)C(C)O,"InChI=1S/C35H49N9O10S/c1-15-27(47)39-22-10-20-19-7-5-6-8-21(19)42-33(20)55-13-24(34(53)44-12-18(46)9-25(44)31(51)38-15)41-32(52)26(17(3)45)43-28(48)16(2)37-30(50)23(40-29(22)49)11-35(4,54)14-36/h5-8,15-18,22-26,42,45-46,54H,9-14,36H2,1-4H3,(H,37,50)(H,38,51)(H,39,47)(H,40,49)(H,41,52)(H,43,48)",FFPGOXRWUARKTO-UHFFFAOYSA-N,C35H49N9O10S,787.9,787.33231,-1.9,323,1510,0,11,12,4,55,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H,12H-Furo(3',2':4,5)furo(2,3-h)pyrano(3,4-c)(1)benzopyran-1,12-dione, 3,4,7a,9,10,10a-hexahydro-9-hydroxy-5-methoxy-",20421-10-7,105095,"5-hydroxy-11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,9,11,13(18)-tetraene-17,19-dione",COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5CC(OC5OC4=C1)O,"InChI=1S/C17H14O8/c1-21-8-5-9-12(7-4-10(18)24-17(7)23-9)14-11(8)6-2-3-22-15(19)13(6)16(20)25-14/h5,7,10,17-18H,2-4H2,1H3",PHYKMMVEUJESOM-UHFFFAOYSA-N,C17H14O8,346.3,346.0688674,1,101,657,0,1,8,1,25,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
AFLATOXIN G2,007241-98-7,2724362,"(3S,7R)-11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,9,11,13(18)-tetraene-17,19-dione",COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1,"InChI=1S/C17H14O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1",WPCVRWVBBXIRMA-WNWIJWBNSA-N,C17H14O7,330.29,330.0739528,1.5,80.3,626,0,0,7,1,24,,,0,1,1,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
DMPU-HF REAGENT,287966-55-6,91927152,"1,3-dimethyl-1,3-diazinan-2-one;hydrofluoride",CN1CCCN(C1=O)C.F,"InChI=1S/C6H12N2O.FH/c1-7-4-3-5-8(2)6(7)9;/h3-5H2,1-2H3;1H",VJFSGFXCWXVXOD-UHFFFAOYSA-N,C6H13FN2O,148.18,148.1011912,,23.6,112,0,1,2,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
ISOBENZAN,000297-78-9,9271,"1,3,5,7,8,9,10,10-octachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene",C12C(C(OC1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,"InChI=1S/C9H4Cl8O/c10-3-4(11)8(15)2-1(5(12)18-6(2)13)7(3,14)9(8,16)17/h1-2,5-6H",LRWHHSXTGZSMSN-UHFFFAOYSA-N,C9H4Cl8O,411.7,411.771136,4.6,9.2,425,0,0,1,0,18,,,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Coumarin, 3-(3-(4-biphenylyl)-1,2,3,4-tetrahydro-1-naphthyl)-4-hydroxy-",56073-07-5,54676884,"4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one",C1C(CC2=CC=CC=C2C1C3=C(C4=CC=CC=C4OC3=O)O)C5=CC=C(C=C5)C6=CC=CC=C6,"InChI=1S/C31H24O3/c32-30-26-12-6-7-13-28(26)34-31(33)29(30)27-19-24(18-23-10-4-5-11-25(23)27)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-17,24,27,32H,18-19H2",FVQITOLOYMWVFU-UHFFFAOYSA-N,C31H24O3,444.5,444.1725446,6.9,46.5,757,0,1,3,3,34,,290 °C (decomposes before boiling),1,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
BRODIFACOUM,056073-10-0,54680676,"3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxychromen-2-one",C1C(CC2=CC=CC=C2C1C3=C(C4=CC=CC=C4OC3=O)O)C5=CC=C(C=C5)C6=CC=C(C=C6)Br,"InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2",VEUZZDOCACZPRY-UHFFFAOYSA-N,C31H23BrO3,523.4,522.08306,7.6,46.5,791,0,1,3,3,35,,,1,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
ENDOSULFAN,000115-29-7,3224,"1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide",C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,"InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2",RDYMFSUJUZBWLH-UHFFFAOYSA-N,C9H6Cl6O3S,406.9,405.813931,3.8,54.7,470,0,0,4,0,19,,"Decomposes (NIOSH, 2024)",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BIFENTHRIN,082657-04-3,6442842,"trans-(2-methyl-3-phenylphenyl)methyl (1R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate",CC1=C(C=CC=C1C2=CC=CC=C2)COC(=O)[C@@H]3[C@@H](C3(C)C)/C=C(/C(F)(F)F)\Cl,"InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20-/m0/s1",OMFRMAHOUUJSGP-IRHGGOMRSA-N,C23H22ClF3O2,422.9,422.1260421,6,26.3,622,0,0,5,6,29,165 °C (329 °F) - closed cup,,1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,1,0
"Cyclopropanecarboxylic acid, 3-((1Z)-2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (2-methyl(1,1'-biphenyl)-3-yl)methyl ester, (1S,3S)-",99267-18-2,54901,"(2-methyl-3-phenylphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate",CC1=C(C=CC=C1C2=CC=CC=C2)COC(=O)C3C(C3(C)C)C=C(C(F)(F)F)Cl,"InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3",OMFRMAHOUUJSGP-UHFFFAOYSA-N,C23H22ClF3O2,422.9,422.1260421,6,26.3,622,0,0,5,6,29,,,1,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,1,0
BENZO(F)QUINOLINE,000085-02-9,6796,benzo[f]quinoline,C1=CC=C2C(=C1)C=CC3=C2C=CC=N3,InChI=1S/C13H9N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-9H,HCAUQPZEWLULFJ-UHFFFAOYSA-N,C13H9N,179.22,179.0734993,3.5,12.9,201,0,0,1,0,14,"330.8 °F (NTP, 1992)","662 °F at 721 mmHg (NTP, 1992)",0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZO[F]QUINOLINE, 3-METHYL-",000085-06-3,6797,3-methylbenzo[f]quinoline,CC1=NC2=C(C=C1)C3=CC=CC=C3C=C2,"InChI=1S/C14H11N/c1-10-6-8-13-12-5-3-2-4-11(12)7-9-14(13)15-10/h2-9H,1H3",SUHRSZJZYUCLOD-UHFFFAOYSA-N,C14H11N,193.24,193.0891494,3.8,12.9,225,0,0,1,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHAPYRILENE,000091-80-5,4098,"N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine",CN(C)CCN(CC1=CC=CS1)C2=CC=CC=N2,"InChI=1S/C14H19N3S/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14/h3-8,11H,9-10,12H2,1-2H3",HNJJXZKZRAWDPF-UHFFFAOYSA-N,C14H19N3S,261.39,261.1299688,2.6,47.6,235,0,0,4,6,18,,"343 to 347 °F at 3 mmHg (NTP, 1992)",0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,4(5')DI-(T-BUTYLCYCLOHEXANO)-18-CROWN-6",223719-29-7,3038127,"11,24-ditert-butyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane",CC(C)(C)C1CCC2C(C1)OCCOCCOC3CCC(CC3OCCOCCO2)C(C)(C)C,"InChI=1S/C28H52O6/c1-27(2,3)21-7-9-23-25(19-21)33-17-13-29-12-16-32-24-10-8-22(28(4,5)6)20-26(24)34-18-14-30-11-15-31-23/h21-26H,7-20H2,1-6H3",QQCYFUYEXBIXFJ-UHFFFAOYSA-N,C28H52O6,484.7,484.3763894,5,55.4,518,0,0,6,2,34,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-METHYL-2-BENZOTHIAZOLINONE HYDRAZONE HYDROCHLORIDE HYDRATE,149022-15-1,78041,"(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrochloride",CN1C2=CC=CC=C2SC1=NN.Cl,"InChI=1S/C8H9N3S.ClH/c1-11-6-4-2-3-5-7(6)12-8(11)10-9;/h2-5H,9H2,1H3;1H",OEZPVSPULCMUQB-UHFFFAOYSA-N,C8H10ClN3S,215.7,215.0283962,,66.9,204,0,2,3,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phenanthridine, 6-amino-",832-68-8,160547,phenanthridin-6-amine,C1=CC=C2C(=C1)C3=CC=CC=C3N=C2N,"InChI=1S/C13H10N2/c14-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8H,(H2,14,15)",FVCXJXKLDUJOFA-UHFFFAOYSA-N,C13H10N2,194.23,194.0843983,3.1,38.9,229,0,1,2,0,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
DIPHENYL DISELENIDE,001666-13-3,15460,(phenyldiselanyl)benzene,C1=CC=C(C=C1)[Se][Se]C2=CC=CC=C2,InChI=1S/C12H10Se2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H,YWWZCHLUQSHMCL-UHFFFAOYSA-N,C12H10Se2,312.1,313.91129,,0,128,0,0,0,3,14,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Diselenide, bis(4-chlorophenyl)-",20541-49-5,88583,1-chloro-4-[(4-chlorophenyl)diselanyl]benzene,C1=CC(=CC=C1Cl)[Se][Se]C2=CC=C(C=C2)Cl,InChI=1S/C12H8Cl2Se2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H,DVGQWQMPCZYJLR-UHFFFAOYSA-N,C12H8Cl2Se2,381,381.83335,,0,175,0,0,0,3,16,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
KETANSERIN TARTRATE,083846-83-7,16219944,"(2R,3R)-2,3-dihydroxybutanedioic acid;3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione",C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C22H22FN3O3.C4H6O6/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29;5-1(3(7)8)2(6)4(9)10/h1-8,16H,9-14H2,(H,24,29);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1",KMTLTEVOQLMYRS-LREBCSMRSA-N,C26H28FN3O9,545.5,545.1809576,,185,761,0,5,11,8,39,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PHENCYCLIDINE HYDROCHLORIDE,000956-90-1,9795678,1-(1-phenylcyclohexyl)piperidine;hydrochloride,C1CCC(CC1)(C2=CC=CC=C2)N3CCCCC3.Cl,"InChI=1S/C17H25N.ClH/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18;/h1,4-5,10-11H,2-3,6-9,12-15H2;1H",BUAJNGPDPGKBGV-UHFFFAOYSA-N,C17H26ClN,279.8,279.1753775,,3.2,242,0,1,1,2,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PHENCYCLIDINE,000077-10-1,6468,1-(1-phenylcyclohexyl)piperidine,C1CCC(CC1)(C2=CC=CC=C2)N3CCCCC3,"InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2",JTJMJGYZQZDUJJ-UHFFFAOYSA-N,C17H25N,243.4,243.1986998,3.6,3.2,242,0,0,1,2,18,,BP: 136 °C at 1.0 mm Hg,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,3'-[SULFONYLBIS(4,1-PHENYLENEOXY)]BISBENZENAMINE",030203-11-3,121657,3-[4-[4-(3-aminophenoxy)phenyl]sulfonylphenoxy]aniline,C1=CC(=CC(=C1)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC(=C4)N)N,"InChI=1S/C24H20N2O4S/c25-17-3-1-5-21(15-17)29-19-7-11-23(12-8-19)31(27,28)24-13-9-20(10-14-24)30-22-6-2-4-18(26)16-22/h1-16H,25-26H2",WCXGOVYROJJXHA-UHFFFAOYSA-N,C24H20N2O4S,432.5,432.1143783,4.1,113,601,0,2,6,6,31,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-Cresotic acid, 6-(7-(5-ethyl-5-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)tetrahydro-3-methyl-2-furyl)-4-hydroxy-3,5-dimethyl-6-oxononyl)-",11054-70-9,5360807,"6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid",CC[C@H]([C@@H]1[C@H](C[C@@](O1)(CC)[C@H]2CC[C@@]([C@@H](O2)C)(CC)O)C)C(=O)[C@@H](C)[C@H]([C@H](C)CCC3=C(C(=C(C=C3)C)O)C(=O)O)O,"InChI=1S/C34H54O8/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39)/t19-,21+,22+,23+,25+,26-,28+,31+,33-,34+/m1/s1",BBMULGJBVDDDNI-OWKLGTHSSA-N,C34H54O8,590.8,590.3818687,6.4,134,910,0,4,8,13,42,,,0,1,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,1,1
"LASALOCID, SODIUM SALT",025999-20-6,6426773,"sodium 6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoate",CC[C@H]([C@@H]1[C@H](C[C@@](O1)(CC)[C@H]2CC[C@@]([C@@H](O2)C)(CC)O)C)C(=O)[C@@H](C)[C@H]([C@H](C)CCC3=C(C(=C(C=C3)C)O)C(=O)[O-])O.[Na+],"InChI=1S/C34H54O8.Na/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39;/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39);/q;+1/p-1/t19-,21+,22+,23+,25+,26-,28+,31+,33-,34+;/m1./s1",RDHDUYAKDYQPEW-HWLWSTNVSA-M,C34H53NaO8,612.8,612.3638129,,136,917,0,3,8,13,43,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PROTOPINE HYDROCHLORIDE,006164-47-2,22543,"15-methyl-7,9,19,21-tetraoxa-15-azapentacyclo[15.7.0.04,12.06,10.018,22]tetracosa-1(17),4,6(10),11,18(22),23-hexaen-3-one;hydrochloride",CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OCO3.Cl,"InChI=1S/C20H19NO5.ClH/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17;/h2-3,7-8H,4-6,9-11H2,1H3;1H",NWNVDSJZGYDVQW-UHFFFAOYSA-N,C20H20ClNO5,389.8,389.1030004,,57.2,542,0,1,6,0,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PROTOPINE,000130-86-9,4970,"15-methyl-7,9,19,21-tetraoxa-15-azapentacyclo[15.7.0.04,12.06,10.018,22]tetracosa-1(17),4,6(10),11,18(22),23-hexaen-3-one",CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OCO3,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",GPTFURBXHJWNHR-UHFFFAOYSA-N,C20H19NO5,353.4,353.1263227,2.8,57.2,542,0,0,6,0,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BORIC ACID (H3BO3), TRIS(METHYLPHENYL) ESTER",026248-41-9,75875,tris(2-methylphenyl) borate,B(OC1=CC=CC=C1C)(OC2=CC=CC=C2C)OC3=CC=CC=C3C,"InChI=1S/C21H21BO3/c1-16-10-4-7-13-19(16)23-22(24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h4-15H,1-3H3",RTMBXAOPKJNOGZ-UHFFFAOYSA-N,C21H21BO3,332.2,332.1583747,,27.7,334,0,0,3,6,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIPHENYL BORATE,001095-03-0,14182,triphenyl borate,B(OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3,InChI=1S/C18H15BO3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H,MDCWDBMBZLORER-UHFFFAOYSA-N,C18H15BO3,290.1,290.1114245,,27.7,247,0,0,3,6,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
PINACYANOL IODIDE,000605-91-4,5463350,(2E)-1-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline iodide,CCN1/C(=C/C=C/C2=[N+](C3=CC=CC=C3C=C2)CC)/C=CC4=CC=CC=C41.[I-],"InChI=1S/C25H25N2.HI/c1-3-26-22(18-16-20-10-5-7-14-24(20)26)12-9-13-23-19-17-21-11-6-8-15-25(21)27(23)4-2;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1",QWYZFXLSWMXLDM-UHFFFAOYSA-M,C25H25IN2,480.4,480.10625,,7.1,527,0,0,2,4,28,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PINACYANOL CHLORIDE,002768-90-3,6364575,(2E)-1-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]quinoline chloride,CCN1/C(=C/C=C/C2=[N+](C3=CC=CC=C3C=C2)CC)/C=CC4=CC=CC=C41.[Cl-],"InChI=1S/C25H25N2.ClH/c1-3-26-22(18-16-20-10-5-7-14-24(20)26)12-9-13-23-19-17-21-11-6-8-15-25(21)27(23)4-2;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1",FVMNARAKYNRZID-UHFFFAOYSA-M,C25H25ClN2,388.9,388.1706265,,7.1,527,0,0,2,4,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5,10-DIHYDROPHENAZINE",000613-32-1,345330,"5,10-dihydrophenazine",C1=CC=C2C(=C1)NC3=CC=CC=C3N2,"InChI=1S/C12H10N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8,13-14H",IVURTNNWJAPOML-UHFFFAOYSA-N,C12H10N2,182.22,182.0843983,3,24.1,162,0,2,2,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PAPAVERINE HYDROCHLORIDE,000061-25-6,6084,"1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;hydrochloride",COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl,"InChI=1S/C20H21NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-8,10-12H,9H2,1-4H3;1H",UOTMYNBWXDUBNX-UHFFFAOYSA-N,C20H22ClNO4,375.8,375.1237359,,49.8,407,0,1,5,6,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-THIAZOLIDINETHIONE,000096-53-7,2723699,"1,3-thiazolidine-2-thione",C1CSC(=S)N1,"InChI=1S/C3H5NS2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)",WGJCBBASTRWVJL-UHFFFAOYSA-N,C3H5NS2,119.21,118.9863415,0.9,69.4,71,0,1,2,0,6,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-THIAZOLIDINETHIONE, 3-METHYL-",001908-87-8,74703,"3-methyl-1,3-thiazolidine-2-thione",CN1CCSC1=S,"InChI=1S/C4H7NS2/c1-5-2-3-7-4(5)6/h2-3H2,1H3",RGTLAJIDOSPEDH-UHFFFAOYSA-N,C4H7NS2,133.2,133.0019916,1,60.6,91,0,0,2,0,7,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
ETHYLENE SULFITE,003741-38-6,77342,"1,3,2-dioxathiolane 2-oxide",C1COS(=O)O1,InChI=1S/C2H4O3S/c3-6-4-1-2-5-6/h1-2H2,WDXYVJKNSMILOQ-UHFFFAOYSA-N,C2H4O3S,108.12,107.9881152,0,54.7,63,0,0,4,0,6,,,0,1,1,1,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0
"Sulfurous acid, cyclic ester with 1,2-propanediol",1469-73-4,15117,"4-methyl-1,3,2-dioxathiolane 2-oxide",CC1COS(=O)O1,"InChI=1S/C3H6O3S/c1-3-2-5-7(4)6-3/h3H,2H2,1H3",SJHAYVFVKRXMKG-UHFFFAOYSA-N,C3H6O3S,122.15,122.0037652,0.4,54.7,92,0,0,4,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"8-Azaspiro(4,5)decane-7,9-dione, 8-(4-(4-(2-pyrimidinyl)piperizinyl)butyl)-",36505-84-7,2477,"8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione",C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4,"InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2",QWCRAEMEVRGPNT-UHFFFAOYSA-N,C21H31N5O2,385.5,385.2477753,2.6,69.6,529,0,0,6,6,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BUSPIRONE HYDROCHLORIDE,033386-08-2,36431,"8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride",C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4.Cl,"InChI=1S/C21H31N5O2.ClH/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20;/h5,8-9H,1-4,6-7,10-17H2;1H",RICLFGYGYQXUFH-UHFFFAOYSA-N,C21H32ClN5O2,422,421.224453,,69.6,529,0,1,6,6,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PIROXICAM BETADEX,036322-90-4,54676228,"4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1lambda6,2-benzothiazine-3-carboxamide",CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=CC=CC=N3,"InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)",QYSPLQLAKJAUJT-UHFFFAOYSA-N,C15H13N3O4S,331.3,331.0626771,3.1,108,611,0,2,6,2,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Carbonic acid, ethyl 1-((2-methyl-3-((2-pyridinylamino)carbonyl)-2H-1,2-benzot",099464-64-9,2176,"ethyl 1-[[2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1lambda6,2-benzothiazin-4-yl]oxy]ethyl carbonate",CCOC(=O)OC(C)OC1=C(N(S(=O)(=O)C2=CC=CC=C21)C)C(=O)NC3=CC=CC=N3,"InChI=1S/C20H21N3O7S/c1-4-28-20(25)30-13(2)29-18-14-9-5-6-10-15(14)31(26,27)23(3)17(18)19(24)22-16-11-7-8-12-21-16/h5-13H,4H2,1-3H3,(H,21,22,24)",LSNWBKACGXCGAJ-UHFFFAOYSA-N,C20H21N3O7S,447.5,447.1100212,4,133,808,0,1,9,8,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-((4-(methylthio)phenyl)methylene)-, (1Z)-",32004-67-4,91605,2-[6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]acetic acid,CC1=C(C2=C(C1=CC3=CC=C(C=C3)SC)C=CC(=C2)F)CC(=O)O,"InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)",LFWHFZJPXXOYNR-UHFFFAOYSA-N,C20H17FO2S,340.4,340.0933291,4.8,62.6,546,0,1,4,4,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0
SULINDAC,038194-50-2,1548887,2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid,CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O,"InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-",MLKXDPUZXIRXEP-MFOYZWKCSA-N,C20H17FO3S,356.4,356.0882437,3.4,73.6,616,0,1,5,4,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,1,0,0,1,1,0
"4H-Pyrido(2,1-a)pyrimidin-4-one, 6,7,8,9-tetrahydro-3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1- piperidinyl)ethyl)-9-hydroxy-2-methyl-",144598-75-4,115237,"3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one",CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F,"InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3",PMXMIIMHBWHSKN-UHFFFAOYSA-N,C23H27FN4O3,426.5,426.2067189,2.2,82.2,764,0,1,7,4,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MELITTIN (HONEYBEE),020449-79-0,16129627,2-[[5-amino-2-[[2-[[6-amino-2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[2-[[2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetyl]amino]propanoylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]pentanediamide,CCC(C)C(C(=O)NCC(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(CO)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(C(C)CC)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)N)NC(=O)CN,"InChI=1S/C131H229N39O31/c1-23-71(16)102(163-97(176)60-135)122(194)146-62-98(177)148-74(19)109(181)164-100(69(12)13)124(196)160-88(55-65(4)5)116(188)155-84(41-30-33-51-134)115(187)165-101(70(14)15)125(197)161-90(57-67(8)9)118(190)168-106(77(22)173)128(200)169-105(76(21)172)123(195)147-63-99(178)150-92(58-68(10)11)129(201)170-54-36-44-94(170)121(193)149-75(20)108(180)158-89(56-66(6)7)117(189)166-104(73(18)25-3)127(199)162-93(64-171)120(192)159-91(59-78-61-145-80-38-27-26-37-79(78)80)119(191)167-103(72(17)24-2)126(198)157-83(40-29-32-50-133)111(183)154-85(42-34-52-143-130(139)140)112(184)152-82(39-28-31-49-132)110(182)153-86(43-35-53-144-131(141)142)113(185)156-87(46-48-96(137)175)114(186)151-81(107(138)179)45-47-95(136)174/h26-27,37-38,61,65-77,81-94,100-106,145,171-173H,23-25,28-36,39-60,62-64,132-135H2,1-22H3,(H2,136,174)(H2,137,175)(H2,138,179)(H,146,194)(H,147,195)(H,148,177)(H,149,193)(H,150,178)(H,151,186)(H,152,184)(H,153,182)(H,154,183)(H,155,188)(H,156,185)(H,157,198)(H,158,180)(H,159,192)(H,160,196)(H,161,197)(H,162,199)(H,163,176)(H,164,181)(H,165,187)(H,166,189)(H,167,191)(H,168,190)(H,169,200)(H4,139,140,143)(H4,141,142,144)",VDXZNPDIRNWWCW-UHFFFAOYSA-N,C131H229N39O31,2846.5,2845.757527,-2.7,1150,6300,0,41,37,99,201,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MELITTIN,037231-28-0,16133648,"(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]pentanediamide",CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N)NC(=O)CN,"InChI=1S/C131H229N39O31/c1-23-71(16)102(163-97(176)60-135)122(194)146-62-98(177)148-74(19)109(181)164-100(69(12)13)124(196)160-88(55-65(4)5)116(188)155-84(41-30-33-51-134)115(187)165-101(70(14)15)125(197)161-90(57-67(8)9)118(190)168-106(77(22)173)128(200)169-105(76(21)172)123(195)147-63-99(178)150-92(58-68(10)11)129(201)170-54-36-44-94(170)121(193)149-75(20)108(180)158-89(56-66(6)7)117(189)166-104(73(18)25-3)127(199)162-93(64-171)120(192)159-91(59-78-61-145-80-38-27-26-37-79(78)80)119(191)167-103(72(17)24-2)126(198)157-83(40-29-32-50-133)111(183)154-85(42-34-52-143-130(139)140)112(184)152-82(39-28-31-49-132)110(182)153-86(43-35-53-144-131(141)142)113(185)156-87(46-48-96(137)175)114(186)151-81(107(138)179)45-47-95(136)174/h26-27,37-38,61,65-77,81-94,100-106,145,171-173H,23-25,28-36,39-60,62-64,132-135H2,1-22H3,(H2,136,174)(H2,137,175)(H2,138,179)(H,146,194)(H,147,195)(H,148,177)(H,149,193)(H,150,178)(H,151,186)(H,152,184)(H,153,182)(H,154,183)(H,155,188)(H,156,185)(H,157,198)(H,158,180)(H,159,192)(H,160,196)(H,161,197)(H,162,199)(H,163,176)(H,164,181)(H,165,187)(H,166,189)(H,167,191)(H,168,190)(H,169,200)(H4,139,140,143)(H4,141,142,144)/t71-,72-,73-,74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,100-,101-,102-,103-,104-,105-,106-/m0/s1",VDXZNPDIRNWWCW-JFTDCZMZSA-N,C131H229N39O31,2846.5,2845.757527,-2.7,1150,6300,0,41,37,99,201,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phthalimidine, 2-(2,6-dioxopiperiden-3-yl)-",026581-81-7,91585,"3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione",C1CC(=O)NC(=O)C1N2CC3=CC=CC=C3C2=O,"InChI=1S/C13H12N2O3/c16-11-6-5-10(12(17)14-11)15-7-8-3-1-2-4-9(8)13(15)18/h1-4,10H,5-7H2,(H,14,16,17)",WENKGSGGXGQHSH-UHFFFAOYSA-N,C13H12N2O3,244.25,244.0847923,0.2,66.5,407,0,1,3,1,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(PHENYLSULFONYLMETHYL)BENZONITRILE,082651-72-7,44630459,2-(benzenesulfonylmethyl)benzonitrile,C1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2C#N,"InChI=1S/C14H11NO2S/c15-10-12-6-4-5-7-13(12)11-18(16,17)14-8-2-1-3-9-14/h1-9H,11H2",MDVRSLRSVHAHNX-UHFFFAOYSA-N,C14H11NO2S,257.31,257.0510498,2.4,66.3,409,0,0,3,3,18,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Sulfone, benzyl phenyl",3112-88-7,76561,benzenesulfonylmethylbenzene,C1=CC=C(C=C1)CS(=O)(=O)C2=CC=CC=C2,"InChI=1S/C13H12O2S/c14-16(15,13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2",FABCMLOTUSCWOR-UHFFFAOYSA-N,C13H12O2S,232.3,232.0558008,2,42.5,290,0,0,2,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"19-Nor-9,10-secoergosta-5,7,22-triene-1,3,25-triol, (1-alpha,3-beta,7E,22E)-",131918-61-1,5281104,"trans-(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol",C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C,"InChI=1S/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22-,23-,24-,25+,27-/m1/s1",BPKAHTKRCLCHEA-UBFJEZKGSA-N,C27H44O3,416.6,416.3290453,5,60.7,676,0,3,3,5,30,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Tachysterol, dihydro-",000067-96-9,5311071,"trans-(1S,3E,4S)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylcyclohexan-1-ol",C[C@H]\1CC[C@@H](C/C1=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C)O,"InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20-,21-,22+,25-,26+,27-,28+/m0/s1",ILYCWAKSDCYMBB-OPCMSESCSA-N,C28H46O,398.7,398.3548661,7.7,20.2,639,0,1,1,5,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5H-Furo(3,2-g)(1)benzopyran-5-one, 4,9-dimethoxy-7-methyl-",000082-02-0,3828,"4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one",CC1=CC(=O)C2=C(C3=C(C(=C2O1)OC)OC=C3)OC,"InChI=1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3",HSMPDPBYAYSOBC-UHFFFAOYSA-N,C14H12O5,260.24,260.0684735,2.3,57.9,405,0,0,5,2,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"5H-Furo(3,2-g)(1)benzopyran-5-one, 4-methoxy-7-methyl-",82-57-5,6716,"4-methoxy-7-methylfuro[3,2-g]chromen-5-one",CC1=CC(=O)C2=C(O1)C=C3C(=C2OC)C=CO3,"InChI=1S/C13H10O4/c1-7-5-9(14)12-11(17-7)6-10-8(3-4-16-10)13(12)15-2/h3-6H,1-2H3",NZVQLVGOZRELTG-UHFFFAOYSA-N,C13H10O4,230.22,230.0579088,2.3,48.7,362,0,0,4,1,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETALDEHYDE, (1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)",000084-83-3,6789,"2-(1,3,3-trimethylindol-2-ylidene)acetaldehyde",CC1(C2=CC=CC=C2N(C1=CC=O)C)C,"InChI=1S/C13H15NO/c1-13(2)10-6-4-5-7-11(10)14(3)12(13)8-9-15/h4-9H,1-3H3",GCECACVNILMTRD-UHFFFAOYSA-N,C13H15NO,201.26,201.1153641,2.5,20.3,293,0,0,2,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PIPERIDINECARBODITHIOIC ACID, COMPD. WITH PIPERIDINE (1:1)",000098-77-1,72508,piperidine;piperidine-1-carbodithioic acid,C1CCNCC1.C1CCN(CC1)C(=S)S,"InChI=1S/C6H11NS2.C5H11N/c8-6(9)7-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-5H2,(H,8,9);6H,1-5H2",PVFZKRMYBKEXBN-UHFFFAOYSA-N,C11H22N2S2,246.4,246.1224411,,48.4,139,0,2,3,0,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ERGOTAMINE AND ITS SALTS,000113-15-5,8223,"(6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide",C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C,"InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1",XCGSFFUVFURLIX-VFGNJEKYSA-N,C33H35N5O5,581.7,581.2638192,2,118,1220,0,3,6,4,43,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
ERGOCRISTINE,000511-08-0,31116,"(6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide",CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C,"InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28+,29+,34-,35+/m1/s1",HEFIYUQVAZFDEE-MKTPKCENSA-N,C35H39N5O5,609.7,609.2951194,3,118,1270,0,3,6,5,45,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrazolo(3,4-d)pyrimidine, 4-amino-1-methyl-",005334-99-6,94753,"1-methylpyrazolo[3,4-d]pyrimidin-4-amine",CN1C2=NC=NC(=C2C=N1)N,"InChI=1S/C6H7N5/c1-11-6-4(2-10-11)5(7)8-3-9-6/h2-3H,1H3,(H2,7,8,9)",JBMTUXVKTGBMLE-UHFFFAOYSA-N,C6H7N5,149.15,149.0701452,-0.2,69.6,150,0,1,4,0,11,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE",002380-63-4,75420,"1H-pyrazolo[3,4-d]pyrimidin-4-amine",C1=NNC2=NC=NC(=C21)N,"InChI=1S/C5H5N5/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2H,(H3,6,7,8,9,10)",LHCPRYRLDOSKHK-UHFFFAOYSA-N,C5H5N5,135.13,135.0544952,-0.2,80.5,127,0,2,4,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOSELENAZOLE, 5-METHOXY-2-METHYL-",002946-17-0,76274,"5-methoxy-2-methyl-1,3-benzoselenazole",CC1=NC2=C([Se]1)C=CC(=C2)OC,"InChI=1S/C9H9NOSe/c1-6-10-8-5-7(11-2)3-4-9(8)12-6/h3-5H,1-2H3",LVIYTMFDCXRSDL-UHFFFAOYSA-N,C9H9NOSe,226.14,226.98494,,22.1,165,0,0,2,1,12,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"BENZOSELENAZOLE, 2-METHYL-",002818-88-4,17782,"2-methyl-1,3-benzoselenazole",CC1=NC2=CC=CC=C2[Se]1,"InChI=1S/C8H7NSe/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3",VYFYELQQECQPHU-UHFFFAOYSA-N,C8H7NSe,196.12,196.97437,,12.9,126,0,0,1,0,10,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2H-BENZIMIDAZOLE-2-THIONE, 1,3-DIHYDRO-, ZINC SALT (2:1)",003030-80-6,14454730,zinc bis(1H-benzimidazole-2-thiolate),C1=CC=C2C(=C1)NC(=N2)[S-].C1=CC=C2C(=C1)NC(=N2)[S-].[Zn+2],"InChI=1S/2C7H6N2S.Zn/c2*10-7-8-5-3-1-2-4-6(5)9-7;/h2*1-4H,(H2,8,9,10);/q;;+2/p-2",HQYFKBJJJHDINU-UHFFFAOYSA-L,C14H10N4S2Zn,363.8,361.96383,,59.4,293,0,2,4,2,21,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2H-BENZIMIDAZOLE-2-THIONE, 1,3-DIHYDRO-4(OR 5)-METHYL-, ZINC SALT (2:1)",061617-00-3,22833447,zinc bis(4-methyl-1H-benzimidazole-2-thiolate),CC1=C2C(=CC=C1)NC(=N2)[S-].CC1=C2C(=CC=C1)NC(=N2)[S-].[Zn+2],"InChI=1S/2C8H8N2S.Zn/c2*1-5-3-2-4-6-7(5)10-8(11)9-6;/h2*2-4H,1H3,(H2,9,10,11);/q;;+2/p-2",GHPJYLIEFFVDGR-UHFFFAOYSA-L,C16H14N4S2Zn,391.8,389.995131,,59.4,151,0,2,4,0,23,,,0,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,1,1,0
CODEINE-N-OXIDE,003688-65-1,10470963,"(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-3-oxido-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-ol",C[N+]1(CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O)[O-],"InChI=1S/C18H21NO4/c1-19(21)8-7-18-11-4-5-13(20)17(18)23-16-14(22-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-,19?/m0/s1",BDLSDHWCOJPHIE-YMVRPXFZSA-N,C18H21NO4,315.4,315.1470582,0.6,56.8,553,0,1,4,1,23,,,0,0,1,1,0,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0
"1,4-BENZENEDIAMINE, N-PHENYL-, SULFATE (2:1)",004698-29-7,78425,"bis(4-N-phenylbenzene-1,4-diamine);sulfuric acid",C1=CC=C(C=C1)NC2=CC=C(C=C2)N.C1=CC=C(C=C1)NC2=CC=C(C=C2)N.OS(=O)(=O)O,"InChI=1S/2C12H12N2.H2O4S/c2*13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;1-5(2,3)4/h2*1-9,14H,13H2;(H2,1,2,3,4)",ZRFXOEFNFAPWJA-UHFFFAOYSA-N,C24H26N4O4S,466.6,466.1674765,,159,237,0,6,8,4,33,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"3-OXA-9-AZONIATRICYCLO[3.3.1.02,4]NONANE, 7-(3-HYDROXY-1-OXO-2-PHENYL- PROPOXY",000155-41-9,5459110,"[(1R,2R,4S,5S)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate bromide",C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[Br-],"InChI=1S/C18H24NO4.BrH/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;/h3-7,12-17,20H,8-10H2,1-2H3;1H/q+1;/p-1/t12?,13-,14-,15+,16-,17+;/m1./s1",CXYRUNPLKGGUJF-OZVSTBQFSA-M,C18H24BrNO4,398.3,397.08887,,59.1,454,0,1,5,5,24,,,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, 9-METHYL-3-OXA-9-AZATRICYCLO[3.3",006106-81-6,6419978,"[(1R,2R,4S,5S)-9-methyl-9-oxido-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;hydrobromide",C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)[O-].Br,"InChI=1S/C17H21NO5.BrH/c1-18(21)13-7-11(8-14(18)16-15(13)23-16)22-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H/t11?,12-,13-,14+,15-,16+,18?;/m1./s1",MGNNYKWRWHQLCR-RDYQINQZSA-N,C17H22BrNO5,400.3,399.06814,,77.1,460,0,2,5,5,24,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-INDOLIUM, 1-[(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)ETHYLIDENE]-2,",006359-50-8,111196,"1,3,3-trimethyl-2-[2-(2-methyl-2,3-dihydroindol-1-ium-1-ylidene)ethylidene]indole chloride",CC1CC2=CC=CC=C2[N+]1=CC=C3C(C4=CC=CC=C4N3C)(C)C.[Cl-],"InChI=1S/C22H25N2.ClH/c1-16-15-17-9-5-7-11-19(17)24(16)14-13-21-22(2,3)18-10-6-8-12-20(18)23(21)4;/h5-14,16H,15H2,1-4H3;1H/q+1;/p-1",DSZCWNRVMXBILR-UHFFFAOYSA-M,C22H25ClN2,352.9,352.1706265,,6.3,544,0,0,2,1,25,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-INDOLIUM, 1-[(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)ETHYLIDENE]-2,",038926-38-4,162343,"5-methoxy-2,3,3-trimethyl-1-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-2H-indol-1-ium chloride",CC1C(C2=C([N+]1=CC=C3C(C4=CC=CC=C4N3C)(C)C)C=CC(=C2)OC)(C)C.[Cl-],"InChI=1S/C25H31N2O.ClH/c1-17-24(2,3)20-16-18(28-7)12-13-22(20)27(17)15-14-23-25(4,5)19-10-8-9-11-21(19)26(23)6;/h8-17H,1-7H3;1H/q+1;/p-1",NJMYZPJDJLVCHF-UHFFFAOYSA-M,C25H31ClN2O,411,410.2124913,,15.5,661,0,0,3,2,29,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"STANNANE, DIBUTYLDIPHENYL-",006452-61-5,80932,dibutyl(diphenyl)stannane,CCCC[Sn](CCCC)(C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/2C6H5.2C4H9.Sn/c2*1-2-4-6-5-3-1;2*1-3-4-2;/h2*1-5H;2*1,3-4H2,2H3;",DTYWIPLKZHQUMW-UHFFFAOYSA-N,C20H28Sn,387.1,388.121303,,0,233,0,0,0,8,21,,,1,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Stannane, dichlorodiphenyl-",001135-99-5,14342,dichloro(diphenyl)stannane,C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(Cl)Cl,InChI=1S/2C6H5.2ClH.Sn/c2*1-2-4-6-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2,ISXUHJXWYNONDI-UHFFFAOYSA-L,C12H10Cl2Sn,343.8,343.918158,,0,174,0,0,0,2,15,,,1,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BIS(CYANO-C)BIS(1,10-PHENANTHROLINE-N1,N10)IRON",014768-11-7,167165,"iron(2+);bis(1,10-phenanthroline);dicyanide",[C-]#N.[C-]#N.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Fe+2],InChI=1S/2C12H8N2.2CN.Fe/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-2;/h2*1-8H;;;/q;;2*-1;+2,YAQXGBBDJYBXKL-UHFFFAOYSA-N,C26H16FeN6,468.3,468.07858,,99.1,192,0,0,8,0,33,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,9-DIMETHYL-1,10-PHENANTHROLINE HEMIHYDRATE",034302-69-7,67652146,"bis(2,9-dimethyl-1,10-phenanthroline);hydrate",CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.O,"InChI=1S/2C14H12N2.H2O/c2*1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;/h2*3-8H,1-2H3;1H2",IEBXFSLFDFHSRD-UHFFFAOYSA-N,C28H26N4O,434.5,434.2106615,,52.6,227,0,1,5,0,33,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indol-4(5H)-one, 3-ethyl-6,7-dihydro-2-methyl-5-(morpholinomethyl)-, monohydro",015622-65-8,9883259,"3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one;hydrochloride",CCC1=C(NC2=C1C(=O)C(CC2)CN3CCOCC3)C.Cl,"InChI=1S/C16H24N2O2.ClH/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18;/h12,17H,3-10H2,1-2H3;1H",GQWNECFJGBQMBO-UHFFFAOYSA-N,C16H25ClN2O2,312.83,312.1604557,,45.3,354,0,2,3,3,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Indol-4(5H)-one, 3-ethyl-6,7-dihydro-2-methyl-5-(morpholinomethyl)-",7416-34-4,23897,"3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one",CCC1=C(NC2=C1C(=O)C(CC2)CN3CCOCC3)C,"InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3",KLPWJLBORRMFGK-UHFFFAOYSA-N,C16H24N2O2,276.37,276.183778,1.7,45.3,354,0,1,3,3,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
".ALPHA.-D-GLUCOFURANOSE, 1,2-O-(2,2,2-TRICHLOROETHYLIDENE)-, (R)-",015879-93-3,7057995,"(1R)-1-[(2R,3aR,5R,6S,6aR)-6-hydroxy-2-(trichloromethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol",C([C@H]([C@@H]1[C@@H]([C@@H]2[C@H](O1)O[C@@H](O2)C(Cl)(Cl)Cl)O)O)O,"InChI=1S/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2/t2-,3+,4-,5-,6-,7-/m1/s1",OJYGBLRPYBAHRT-IPQSZEQASA-N,C8H11Cl3O6,309.5,307.962121,1,88.4,285,0,3,6,2,17,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1
"1,2-O-(1-METHYLETHYLIDENE)-ALPHA-D-XYLOFURANOSE, 1,2-O-(1-METHYLETHYLIDENE)-",020031-21-4,88338,"(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol",CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)CO)O)C,"InChI=1S/C8H14O5/c1-8(2)12-6-5(10)4(3-9)11-7(6)13-8/h4-7,9-10H,3H2,1-2H3/t4-,5+,6-,7-/m1/s1",JAUQZVBVVJJRKM-XZBKPIIZSA-N,C8H14O5,190.19,190.0841235,-0.4,68.2,205,0,2,5,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CLOXAZOLAM (ENADEL, SEPAZON, TOLESTAN)",024166-13-0,2816,"10-chloro-11b-(2-chlorophenyl)-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one",C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl,"InChI=1S/C17H14Cl2N2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)",ZIXNZOBDFKSQTC-UHFFFAOYSA-N,C17H14Cl2N2O2,349.2,348.0432331,3.2,41.6,478,0,1,3,1,23,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1
"2(1H)-PYRIMIDINETHIONE, TETRAHYDRO-1-METHYL-",024421-05-4,3034347,"1-methyl-1,3-diazinane-2-thione",CN1CCCNC1=S,"InChI=1S/C5H10N2S/c1-7-4-2-3-6-5(7)8/h2-4H2,1H3,(H,6,8)",KWRGMBARTDLYSH-UHFFFAOYSA-N,C5H10N2S,130.21,130.0564695,0.3,47.4,103,0,1,1,0,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2(1H)-PYRIMIDINETHIONE, TETRAHYDRO-",002055-46-1,2723785,"1,3-diazinane-2-thione",C1CNC(=S)NC1,"InChI=1S/C4H8N2S/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)",NVHNGVXBCWYLFA-UHFFFAOYSA-N,C4H8N2S,116.19,116.0408194,-0.7,56.2,73,0,2,1,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isoquinoline, 1,2,3,4-tetrahydro-8-amino-2-methyl-4-phenyl-, maleate",032795-47-4,5358907,"(Z)-but-2-enedioic acid;2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine",CN1CC(C2=C(C1)C(=CC=C2)N)C3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C16H18N2.C4H4O4/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18;5-3(6)1-2-4(7)8/h2-9,14H,10-11,17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-",GEOCVSMCLVIOEV-BTJKTKAUSA-N,C20H22N2O4,354.4,354.1579572,,104,391,0,3,6,3,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-5(4H)-ONE, 2-AMINO-6-METHYL-4-PROPYL-",027277-00-5,62824,"2-amino-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one",CCCN1C(=O)C(=CN2C1=NC(=N2)N)C,"InChI=1S/C9H13N5O/c1-3-4-13-7(15)6(2)5-14-9(13)11-8(10)12-14/h5H,3-4H2,1-2H3,(H2,10,12)",UQDVRVNMIJAGRK-UHFFFAOYSA-N,C9H13N5O,207.23,207.1120101,0.6,77,303,0,1,4,2,15,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"s-Triazolo(1,5-a)pyrimidin-5(4H)-one, 7-amino-",35186-69-7,135422428,"7-amino-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one",C1=C(N2C(=NC=N2)NC1=O)N,"InChI=1S/C5H5N5O/c6-3-1-4(11)9-5-7-2-8-10(3)5/h1-2H,6H2,(H,7,8,9,11)",JIXZXRNBZVMIQJ-UHFFFAOYSA-N,C5H5N5O,151.13,151.0494098,-1,85.8,225,0,2,4,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OXAZOLE, 4-CHLORO-2,5-DIPHENYL-",029431-45-6,122376,"4-chloro-2,5-diphenyl-1,3-oxazole",C1=CC=C(C=C1)C2=C(N=C(O2)C3=CC=CC=C3)Cl,InChI=1S/C15H10ClNO/c16-14-13(11-7-3-1-4-8-11)18-15(17-14)12-9-5-2-6-10-12/h1-10H,FVMCUFNNIHZLNR-UHFFFAOYSA-N,C15H10ClNO,255.7,255.0450916,4.6,26,261,0,0,2,2,18,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-, 2-",054527-84-3,41114,"5-O-[2-[benzyl(methyl)amino]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride",CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC.Cl,"InChI=1S/C26H29N3O6.ClH/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19;/h5-12,15,24,27H,13-14,16H2,1-4H3;1H",AIKVCUNQWYTVTO-UHFFFAOYSA-N,C26H30ClN3O6,516,515.1823134,,114,856,0,2,8,10,36,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,2-(benzylmethylamino)ethyl methyl ester",55985-32-5,4474,"5-O-[2-[benzyl(methyl)amino]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC,"InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3",ZBBHBTPTTSWHBA-UHFFFAOYSA-N,C26H29N3O6,479.5,479.2056357,3.8,114,856,0,1,8,10,35,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-",057576-44-0,451415,"methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate",CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@@H](O7)C)O)N(C)C)O,"InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1",USZYSDMBJDPRIF-SVEJIMAYSA-N,C42H53NO15,811.9,811.34152,3.8,217,1530,0,4,16,10,58,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-PIPERIDINONE, 2,2,6,6-TETRAMETHYL-, OXIME, MONOHYDROCHLORIDE",063467-53-8,113266,"N-(2,2,6,6-tetramethylpiperidin-4-ylidene)hydroxylamine;hydrochloride",CC1(CC(=NO)CC(N1)(C)C)C.Cl,"InChI=1S/C9H18N2O.ClH/c1-8(2)5-7(10-12)6-9(3,4)11-8;/h11-12H,5-6H2,1-4H3;1H",PMDFGKBTEGXYED-UHFFFAOYSA-N,C9H19ClN2O,206.71,206.1185909,,44.6,189,0,3,3,0,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-PIPERIDINONE, 2,2,6,6-TETRAMETHYL-, OXIME",004168-79-0,77832,"N-(2,2,6,6-tetramethylpiperidin-4-ylidene)hydroxylamine",CC1(CC(=NO)CC(N1)(C)C)C,"InChI=1S/C9H18N2O/c1-8(2)5-7(10-12)6-9(3,4)11-8/h11-12H,5-6H2,1-4H3",FFUVOHCLAIYVTL-UHFFFAOYSA-N,C9H18N2O,170.25,170.1419132,0.7,44.6,189,0,2,3,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"IPRODIONE [3-(3,5-DICHLOROPHENYL)-N-(1-METHYLETHYL)-2,4-DIOXO-1-IMIDAZOLIDINEC",036734-19-7,37517,"3-(3,5-dichlorophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide",CC(C)NC(=O)N1CC(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl,"InChI=1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)",ONUFESLQCSAYKA-UHFFFAOYSA-N,C13H13Cl2N3O3,330.16,329.0333967,3.1,69.7,448,0,1,3,2,21,>100 °C,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4-Imidazolidinedione, 5,5-dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)-",063612-50-0,4493,"5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione",CC1(C(=O)N(C(=O)N1)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C,"InChI=1S/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20)",XWXYUMMDTVBTOU-UHFFFAOYSA-N,C12H10F3N3O4,317.22,317.0623403,2,95.2,515,0,1,7,1,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Piperazine, 1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-",065277-42-1,47576,"1-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone",CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC[C@@H]3CO[C@@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl,"InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1",XMAYWYJOQHXEEK-ZEQKJWHPSA-N,C26H28Cl2N4O4,531.4,530.1487608,4.3,69.1,735,0,0,6,7,36,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Piperazine, 1-(4-(((2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-",67914-61-8,12854716,"1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine",C1CN(CCN1)C2=CC=C(C=C2)OC[C@H]3CO[C@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl,"InChI=1S/C24H26Cl2N4O3/c25-18-1-6-22(23(26)13-18)24(16-29-10-7-28-17-29)32-15-21(33-24)14-31-20-4-2-19(3-5-20)30-11-8-27-9-12-30/h1-7,10,13,17,21,27H,8-9,11-12,14-16H2/t21-,24-/m0/s1",LOUXSEJZCPKWAX-URXFXBBRSA-N,C24H26Cl2N4O3,489.4,488.1381961,4.4,60.8,621,0,1,6,7,33,,,0,0,0,1,0,0,1,0,0,0,1,0,0,1,0,0,0,0,1,0
"XANTHYLIUM, 3,6-BIS(DIETHYLAMINO)-9-[2-(METHOXYCARBONYL)PHENYL]-, (T-4)-TETRAC",073398-89-7,62265,bis([6-(diethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium);tetrachlorozinc(2-),CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)OC.CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)OC.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1S/2C29H33N2O3.4ClH.Zn/c2*1-6-30(7-2)20-14-16-24-26(18-20)34-27-19-21(31(8-3)9-4)15-17-25(27)28(24)22-12-10-11-13-23(22)29(32)33-5;;;;;/h2*10-19H,6-9H2,1-5H3;4*1H;/q2*+1;;;;;+2/p-4",NILXVRMPJNDXNM-UHFFFAOYSA-J,C58H66Cl4N4O6Zn,1122.4,1120.299838,,83.6,845,0,0,9,16,73,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
TETRAMETHYLRHODAMINE-5-(AND -6)-ISOTHIOCYANATE(5[6]-TRITC) *MIXED ISOMERS*,095197-95-8,132285199,2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-5-isothiocyanatobenzoate;2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-6-isothiocyanatobenzoate,CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C(=CC=C4)N=C=S)C(=O)[O-].CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)N=C=S)C(=O)[O-],"InChI=1S/2C25H21N3O3S/c1-27(2)16-6-9-19-22(12-16)31-23-13-17(28(3)4)7-10-20(23)24(19)18-8-5-15(26-14-32)11-21(18)25(29)30;1-27(2)15-8-10-17-21(12-15)31-22-13-16(28(3)4)9-11-18(22)23(17)19-6-5-7-20(26-14-32)24(19)25(29)30/h2*5-13H,1-4H3",DTICYSNQBDFZSM-UHFFFAOYSA-N,C50H42N6O6S2,887,886.2607254,,200,1810,0,0,12,6,64,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"1H-4,9a-Ethanocyclohepta(c)pyran-7-carboxylic acid, 4a-(acetyloxy)-3-(4-carbox",082508-31-4,6475943,"(2E,4E)-5-[(1R,7S,8S,9R)-7-acetyloxy-4-methoxycarbonyl-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid",C/C(=C\C=C\[C@@]1([C@@H]2CC[C@@]3([C@@]2(CCC(=CC3)C(=O)OC)OC(=O)C)C(=O)O1)C)/C(=O)O,"InChI=1S/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/b10-5+,14-6+/t17-,21+,22+,23-/m0/s1",VDGOFNMYZYBUDT-YDRCMHEVSA-N,C23H28O8,432.5,432.1784179,2.3,116,913,0,1,8,7,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"4H-Carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-3-((2-methyl-1H-imidazol-1-yl)m",099614-01-4,68647,"9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one;hydrochloride",CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl,"InChI=1S/C18H19N3O.ClH/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2;/h3-6,9-10,13H,7-8,11H2,1-2H3;1H",MKBLHFILKIKSQM-UHFFFAOYSA-N,C18H20ClN3O,329.8,329.12949,,39.8,440,0,1,2,2,23,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"4H-Carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-3-((2-methyl-1H-imidazol-1-yl)methyl)-",99614-02-5,4595,"9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one",CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C,"InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3",FELGMEQIXOGIFQ-UHFFFAOYSA-N,C18H19N3O,293.4,293.1528122,2.3,39.8,440,0,0,2,2,22,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo(1,5-a)pyridin-5-yl)-, monohydrochlo",102676-31-3,59694,"4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile;hydrochloride",C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N.Cl,"InChI=1S/C14H13N3.ClH/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14;/h4-7,9-10,14H,1-3H2;1H",UKCVAQGKEOJTSR-UHFFFAOYSA-N,C14H14ClN3,259.73,259.0876252,,41.6,311,0,1,2,1,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo(1,5-a)pyridin-5-yl)-",102676-47-1,59693,"4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile",C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N,"InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2",CLPFFLWZZBQMAO-UHFFFAOYSA-N,C14H13N3,223.27,223.1109474,2.1,41.6,311,0,0,2,1,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANAMINIUM, N,N,N-TRIMETHYL-, SALT WITH 6-AMINO-4-HYDROXY-3-[[7-SULFO-4-[(4",116340-05-7,136072316,"6-amino-4-hydroxy-3-[[7-sulfonato-4-[(4-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2,7-disulfonate;tetrakis(tetramethylazanium)",C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C1=CC(=CC=C1N=NC2=C3C=CC(=CC3=C(C=C2)N=NC4=C(C5=CC(=C(C=C5C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])N)O)S(=O)(=O)[O-])S(=O)(=O)[O-],"InChI=1S/C26H19N5O13S4.4C4H12N/c27-20-12-18-13(9-23(20)47(39,40)41)10-24(48(42,43)44)25(26(18)32)31-30-22-8-7-21(17-6-5-16(11-19(17)22)46(36,37)38)29-28-14-1-3-15(4-2-14)45(33,34)35;4*1-5(2,3)4/h1-12,32H,27H2,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44);4*1-4H3/q;4*+1/p-4",PBWMUSNERLOZLT-UHFFFAOYSA-J,C42H63N9O13S4,1030.3,1029.342818,,358,1630,0,2,18,4,68,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZOIC ACID, 3-[[4-[(7-AMINO-1-HYDROXY-3-SULFO-2-NAPHTHALENYL)AZO]-1-NAPHTHAL",010330-04-8,135564609,disodium;6-amino-3-[[4-[(3-carboxy-2-hydroxyphenyl)diazenyl]naphthalen-1-yl]diazenyl]-4-oxidonaphthalene-2-sulfonate,C1=CC=C2C(=C1)C(=CC=C2N=NC3=C(C=C4C=CC(=CC4=C3[O-])N)S(=O)(=O)[O-])N=NC5=CC=CC(=C5O)C(=O)O.[Na+].[Na+],"InChI=1S/C27H19N5O7S.2Na/c28-15-9-8-14-12-23(40(37,38)39)24(26(34)19(14)13-15)32-30-21-11-10-20(16-4-1-2-5-17(16)21)29-31-22-7-3-6-18(25(22)33)27(35)36;;/h1-13,33-34H,28H2,(H,35,36)(H,37,38,39);;/q;2*+1/p-2",QENJECLVTWIZIG-UHFFFAOYSA-L,C27H17N5Na2O7S,601.5,601.0644076,,222,1050,0,3,12,5,42,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"5,6-DIHYDRO-2-(2,6-XYLIDINO)4H-1,3-THIAZINE",007361-61-7,5707,"N-(2,6-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine",CC1=C(C(=CC=C1)C)NC2=NCCCS2,"InChI=1S/C12H16N2S/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12/h3,5-6H,4,7-8H2,1-2H3,(H,13,14)",BPICBUSOMSTKRF-UHFFFAOYSA-N,C12H16N2S,220.34,220.1034197,2.8,49.7,230,0,1,2,2,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1,3-Thiazine, 5,6-dihydro-2-(2,6-xylidino)-, monohydrochloride",23076-35-9,68554,"N-(2,6-dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine;hydrochloride",CC1=C(C(=CC=C1)C)NC2=NCCCS2.Cl,"InChI=1S/C12H16N2S.ClH/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12;/h3,5-6H,4,7-8H2,1-2H3,(H,13,14);1H",QYEFBJRXKKSABU-UHFFFAOYSA-N,C12H17ClN2S,256.8,256.0800974,,49.7,230,0,2,2,2,16,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
1-(5-FLUOROPENTYL)-3-(2-IODOBENZOYL)INDOLE,335161-03-0,9889172,[1-(5-fluoropentyl)indol-3-yl]-(2-iodophenyl)methanone,C1=CC=C2C(=C1)C(=CN2CCCCCF)C(=O)C3=CC=CC=C3I,"InChI=1S/C20H19FINO/c21-12-6-1-7-13-23-14-17(15-8-3-5-11-19(15)23)20(24)16-9-2-4-10-18(16)22/h2-5,8-11,14H,1,6-7,12-13H2",LFFIIZFINPPEMC-UHFFFAOYSA-N,C20H19FINO,435.3,435.04954,5.3,22,418,0,0,2,7,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-PENTYL-3-(4-METHOXYBENZOYL)INDOLE,1345966-78-0,56841530,(4-methoxyphenyl)-(1-pentylindol-3-yl)methanone,CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)OC,"InChI=1S/C21H23NO2/c1-3-4-7-14-22-15-19(18-8-5-6-9-20(18)22)21(23)16-10-12-17(24-2)13-11-16/h5-6,8-13,15H,3-4,7,14H2,1-2H3",OZCYJKDWRUIFFE-UHFFFAOYSA-N,C21H23NO2,321.4,321.172879,5,31.2,403,0,0,2,7,24,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
1-PENTYL-3-(2-METHOXYPHENYLACETYL)INDOLE,864445-43-2,44397540,2-(2-methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone,CCCCCN1C=C(C2=CC=CC=C21)C(=O)CC3=CC=CC=C3OC,"InChI=1S/C22H25NO2/c1-3-4-9-14-23-16-19(18-11-6-7-12-20(18)23)21(24)15-17-10-5-8-13-22(17)25-2/h5-8,10-13,16H,3-4,9,14-15H2,1-2H3",FFLSJIQJQKDDCM-UHFFFAOYSA-N,C22H25NO2,335.4,335.188529,5,31.2,424,0,0,2,8,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
1-PENTYL-3-(2-CHLOROPHENYLACETYL)INDOLE,864445-54-5,44397500,2-(2-chlorophenyl)-1-(1-pentylindol-3-yl)ethanone,CCCCCN1C=C(C2=CC=CC=C21)C(=O)CC3=CC=CC=C3Cl,"InChI=1S/C21H22ClNO/c1-2-3-8-13-23-15-18(17-10-5-7-12-20(17)23)21(24)14-16-9-4-6-11-19(16)22/h4-7,9-12,15H,2-3,8,13-14H2,1H3",YDINKDBAZJOSLV-UHFFFAOYSA-N,C21H22ClNO,339.9,339.138992,5.6,22,413,0,0,1,7,24,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
FENETHYLLINE HYDROCHLORIDE,001892-80-4,102710,"1,3-dimethyl-7-[2-(1-phenylpropan-2-ylamino)ethyl]purine-2,6-dione;hydrochloride",CC(CC1=CC=CC=C1)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C.Cl,"InChI=1S/C18H23N5O2.ClH/c1-13(11-14-7-5-4-6-8-14)19-9-10-23-12-20-16-15(23)17(24)22(3)18(25)21(16)2;/h4-8,12-13,19H,9-11H2,1-3H3;1H",MVXGSLGVWBVZCA-UHFFFAOYSA-N,C18H24ClN5O2,377.9,377.1618527,,70.5,494,0,2,4,6,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"Theophylline, 7-(2-(beta-hydroxy-alpha-methylphenethylamino)ethyl)-, hydrochloride",3039-97-2,5492688,"7-[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride",C[C@@H]([C@@H](C1=CC=CC=C1)O)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C.Cl,"InChI=1S/C18H23N5O3.ClH/c1-12(15(24)13-7-5-4-6-8-13)19-9-10-23-11-20-16-14(23)17(25)22(3)18(26)21(16)2;/h4-8,11-12,15,19,24H,9-10H2,1-3H3;1H/t12-,15-;/m0./s1",UTTZHZDGHMJDPM-NXCSSKFKSA-N,C18H24ClN5O3,393.9,393.1567673,,90.7,525,0,3,5,6,27,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
7-DIETHYLAMINO-3-((4'-(IODOACETYL)AMINO)PHENYL)-4-METHYLCOUMARIN,,127530,N-[4-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]phenyl]-2-iodoacetamide,CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)NC(=O)CI)C,"InChI=1S/C22H23IN2O3/c1-4-25(5-2)17-10-11-18-14(3)21(22(27)28-19(18)12-17)15-6-8-16(9-7-15)24-20(26)13-23/h6-12H,4-5,13H2,1-3H3,(H,24,26)",WIXAQXKQLNRFDF-UHFFFAOYSA-N,C22H23IN2O3,490.3,490.07534,4.2,58.6,609,0,1,4,6,28,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Coumarin, 4-hydroxy-3-phenyl-",1786-05-6,54688870,4-hydroxy-3-phenylchromen-2-one,C1=CC=C(C=C1)C2=C(C3=CC=CC=C3OC2=O)O,"InChI=1S/C15H10O3/c16-14-11-8-4-5-9-12(11)18-15(17)13(14)10-6-2-1-3-7-10/h1-9,16H",CBHMYFPBBDCWSY-UHFFFAOYSA-N,C15H10O3,238.24,238.0629942,2.5,46.5,366,0,1,3,1,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-",089226-75-5,150762,"5-O-[2-(4-benzhydrylpiperazin-1-yl)ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;dihydrochloride",CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC.Cl.Cl,"InChI=1S/C35H38N4O6.2ClH/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27;;/h4-16,23,32-33,36H,17-22H2,1-3H3;2*1H",JINNGBXKBDUGQT-UHFFFAOYSA-N,C35H40Cl2N4O6,683.6,682.2324904,,117,1090,0,3,9,11,47,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,1
"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl methyl ester",89226-50-6,4008,"5-O-[2-(4-benzhydrylpiperazin-1-yl)ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC,"InChI=1S/C35H38N4O6/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-16,23,32-33,36H,17-22H2,1-3H3",ANEBWFXPVPTEET-UHFFFAOYSA-N,C35H38N4O6,610.7,610.2791349,5.6,117,1090,0,1,9,11,45,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIEPOXYBUTANE,001464-53-5,11254,2-(oxiran-2-yl)oxirane,C1C(O1)C2CO2,"InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2",ZFIVKAOQEXOYFY-UHFFFAOYSA-N,C4H6O2,86.09,86.03677943,-0.5,25.1,61,0,0,2,1,6,"114 °F (NTP, 1992)","291 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,1,0,0,0,0,1,0,0,0,0,0,1,0,0,0
"Butane, 1,2:3,4-diepoxy-, meso-",564-00-1,233706,(2S)-2-[(2R)-oxiran-2-yl]oxirane,C1[C@@H](O1)[C@@H]2CO2,"InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2/t3-,4+",ZFIVKAOQEXOYFY-ZXZARUISSA-N,C4H6O2,86.09,86.03677943,-0.5,25.1,61,0,0,2,1,6,"114 °F (NTP, 1992)","291 °F at 760 mmHg (NTP, 1992)",0,1,1,1,0,1,0,1,1,0,1,0,0,0,0,0,1,0,0,1
"DL-Valine, N-(2-chloro-4-(trifluoromethyl)phenyl)-, cyano(3-phenoxyphenyl)meth",069409-94-5,50516,[cyano-(3-phenoxyphenyl)methyl] 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate,CC(C)C(C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl,"InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3",INISTDXBRIBGOC-UHFFFAOYSA-N,C26H22ClF3N2O3,502.9,502.1271047,7.7,71.4,735,0,1,8,9,35,,>450 °C at 760 mm Hg (extrapolated),1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1
FLUVALINATE,102851-06-9,91768,[cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate,CC(C)[C@H](C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl,"InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1",INISTDXBRIBGOC-XMMISQBUSA-N,C26H22ClF3N2O3,502.9,502.1271047,7.7,71.4,735,0,1,8,9,35,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6a-alphah)-one, 1,2,12,12a-alpha-tetrahydro-2-alpha-isopropyl-8,9-dimethoxy-",6659-45-6,243725,"(1S,6R,13S)-16,17-dimethoxy-6-propan-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one",CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC,"InChI=1S/C23H24O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,11,16,20-21H,8,10H2,1-4H3/t16-,20-,21+/m1/s1",DTFARBHXORYQBF-HBGVWJBISA-N,C23H24O6,396.4,396.1572885,4.2,63.2,622,0,0,6,3,29,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,7-Methanoindan, 1,2,4,5,6,7,8,8-octachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-, exo,endo-",27304-13-8,13785700,"(1R,2S,3R,5S,6S,7R,8S)-1,5,6,8,9,10,11,11-octachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene",[C@H]12[C@H]([C@@H]([C@]3([C@@H]1O3)Cl)Cl)[C@@]4(C(=C([C@]2(C4(Cl)Cl)Cl)Cl)Cl)Cl,"InChI=1S/C10H4Cl8O/c11-3-1-2(6-9(3,16)19-6)8(15)5(13)4(12)7(1,14)10(8,17)18/h1-3,6H/t1-,2+,3+,6-,7+,8-,9+/m1/s1",VWGNQYSIWFHEQU-KGEUUOKHSA-N,C10H4Cl8O,423.7,423.771136,4.2,12.5,548,0,0,1,0,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZETHONIUM CHLORIDE,000121-54-0,8478,"benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride",CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-],"InChI=1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1",UREZNYTWGJKWBI-UHFFFAOYSA-M,C27H42ClNO2,448.1,447.2904073,,18.5,466,0,0,3,12,31,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
QUARTENARY AMMONIUM HYDROXIDE,000498-77-1,2335,"benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium",CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2,"InChI=1S/C27H42NO2/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23/h8-16H,17-22H2,1-7H3/q+1",SIYLLGKDQZGJHK-UHFFFAOYSA-N,C27H42NO2+,412.6,412.3215546,6.7,18.5,466,1,0,2,12,30,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"6-Heptenoic acid, 3,5-dihydro-7-(3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol",093957-55-2,23679527,"sodium (E,3S,5R)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoate",CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@@H](C[C@@H](CC(=O)[O-])O)O)C3=CC=C(C=C3)F.[Na+],"InChI=1S/C24H26FNO4.Na/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30;/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30);/q;+1/p-1/b12-11+;/t18-,19-;/m0./s1",ZGGHKIMDNBDHJB-RPQBTBOMSA-M,C24H25FNNaO4,433.4,433.1665307,,85.5,596,0,2,5,8,31,,,0,1,1,1,0,1,1,1,0,0,0,0,0,1,0,0,1,1,1,0
"6-Heptenoic acid, 7-(3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl)-3,5-dihydroxy-, (R*,S*-(E))-(+-)-",93957-54-1,1548972,"(E,3S,5R)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid",CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@@H](C[C@@H](CC(=O)O)O)O)C3=CC=C(C=C3)F,"InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m0/s1",FJLGEFLZQAZZCD-JUFISIKESA-N,C24H26FNO4,411.5,411.1845865,3.5,82.7,590,0,3,5,8,30,,,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
FENPYROXIMATE,134098-61-6,9576412,"tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate",CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C,"InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+",YYJNOYZRYGDPNH-MFKUBSTISA-N,C24H27N3O4,421.5,421.2001564,4.9,74.9,592,0,0,6,9,31,85.0 °C (185 °F) (closed cup). /FujiMite 5EC Miticide/Insecticide/,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Benzoic acid, 4-(((((1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene)amino)oxy)methyl)-, 1,1-dimethylethyl ester, (Z)-",149054-53-5,6002001,"tert-butyl 4-[[(Z)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate",CC1=NN(C(=C1/C=N\OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C,"InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15-",YYJNOYZRYGDPNH-MYYYXRDXSA-N,C24H27N3O4,421.5,421.2001564,4.9,74.9,592,0,0,6,9,31,,,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"TRIS(2,3-EPOXYPROPYL) ISOCYANURATE",002451-62-9,17142,"1,3,5-tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione",C1C(O1)CN2C(=O)N(C(=O)N(C2=O)CC3CO3)CC4CO4,"InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2",OUPZKGBUJRBPGC-UHFFFAOYSA-N,C12H15N3O6,297.26,297.0960852,-1.5,98.5,416,0,0,6,6,21,170 °C /Open cup vs. closed cup not specified/,"> 240 °C, decomposition",0,0,1,1,0,0,1,1,0,0,1,0,0,0,0,0,0,1,1,0
"s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2,3-epoxypropyl)-, beta-",59653-74-6,198383,"1,3,5-tris[[(2R)-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione",C1[C@H](O1)CN2C(=O)N(C(=O)N(C2=O)C[C@@H]3CO3)C[C@@H]4CO4,"InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2/t7-,8-,9-/m1/s1",OUPZKGBUJRBPGC-IWSPIJDZSA-N,C12H15N3O6,297.26,297.0960852,-1.5,98.5,416,0,0,6,6,21,,,0,0,1,1,0,0,0,1,0,0,1,0,0,0,0,0,0,1,1,0
STREPTOMYCIN SULFATE,003810-74-0,19648,"bis(2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine);sulfuric acid",C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(C=O)O.C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(C=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O,"InChI=1S/2C21H39N7O12.3H2O4S/c2*1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;3*1-5(2,3)4/h2*4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28);3*(H2,1,2,3,4)/t2*5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;;;/m00.../s1",QTENRWWVYAAPBI-YCRXJPFRSA-N,C42H84N14O36S3,1457.4,1456.433479,,922,1020,0,30,42,18,95,,,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,1,1,1
"D-STREPTAMINE, O-2-DEOXY-2-(METHYLAMINO)-.ALPHA.-L-GLUCOPYRANOSYL-(1.FWDARW.2)",005490-27-7,21653,"bis(2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine);sulfuric acid",C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(CO)O.C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(CO)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O,"InChI=1S/2C21H41N7O12.3H2O4S/c2*1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;3*1-5(2,3)4/h2*5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28);3*(H2,1,2,3,4)/t2*5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;;;/m00.../s1",CZWJCQXZZJHHRH-YCRXJPFRSA-N,C42H88N14O36S3,1461.4,1460.464779,,928,993,0,32,42,18,95,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
APROTININ,009087-70-1,16130295,"(3S)-4-[[(2S)-1-[[(1R,2aS,4S,5aS,8aS,11aS,13S,14aS,16S,17aR,19S,20aS,25S,26aS,29aS,31S,32aS,34S,35aS,37R,38aS,41aS,42R,44aS,45S,47aS,48S,50aS,51S,53aS,54R,56aS,57S,59aS,60S,62aS,63S,66S,69S,72S,75S,78S,81S,84S,87S,90S,93R)-29a,62a,69,84-tetrakis(4-aminobutyl)-35a,75,78-tris(2-amino-2-oxoethyl)-14a-(3-amino-3-oxopropyl)-8a,41a,72-tribenzyl-50a,53a-bis[(2S)-butan-2-yl]-47a,48,56a,81,90-pentakis(3-carbamimidamidopropyl)-31,60-bis(2-carboxyethyl)-42-[[2-[[2-[[(1S)-1-carboxyethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-57-(carboxymethyl)-11a,13,45-tris[(1R)-1-hydroxyethyl]-66-(hydroxymethyl)-2a,16,38a,44a-tetrakis[(4-hydroxyphenyl)methyl]-26a,32a,59a,63,87-pentamethyl-20a,34-bis(2-methylpropyl)-51-(2-methylsulfanylethyl)-1a,3,4a,7a,9,10a,12,13a,15,16a,18,19a,22a,24,25a,28a,30,31a,33,34a,36,37a,40a,43a,44,46a,47,49a,50,52a,53,55a,56,58a,59,61a,62,64a,65,68,71,74,77,80,83,86,89,92,95,98-pentacontaoxo-5a-propan-2-yl-39,40,66a,67a,70a,71a-hexathia-a,2,3a,6a,8,9a,11,12a,14,15a,17,18a,21a,23,24a,27a,29,30a,32,33a,35,36a,39a,42a,43,45a,46,48a,49,51a,52,54a,55,57a,58,60a,61,63a,64,67,70,73,76,79,82,85,88,91,94,97-pentacontazahexacyclo[91.71.4.454,117.04,8.019,23.025,29]doheptacontahectan-37-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid",CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N6CCC[C@H]6C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CC(=O)O)CCC(=O)O)C)CO)CCCCN)CC7=CC=CC=C7)CC(=O)N)CC(=O)N)CCCNC(=N)N)CCCCN)C)CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CCC(=O)N)[C@@H](C)O)CC8=CC=CC=C8)C(C)C)CC9=CC=C(C=C9)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCNC(=N)N)C)CCCCN)[C@@H](C)O)CC1=CC=C(C=C1)O)CCC(=O)O)CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)CCCNC(=N)N)CCSC)CC(C)C)C)CCCCN)C)CC(=O)N)CC1=CC=C(C=C1)O)CC1=CC=CC=C1)CC1=CC=C(C=C1)O)CCCNC(=N)N)[C@@H](C)CC,"InChI=1S/C284H432N84O79S7/c1-21-144(9)222-271(439)337-174(68-46-105-309-282(300)301)239(407)340-187(120-160-77-85-164(374)86-78-160)251(419)341-185(116-156-55-29-24-30-56-156)250(418)342-188(121-161-79-87-165(375)88-80-161)252(420)346-191(123-208(291)378)246(414)322-149(14)230(398)326-168(62-35-39-98-285)234(402)319-146(11)227(395)314-132-215(385)324-181(113-141(3)4)247(415)354-199-137-452-453-138-200-263(431)336-179(97-112-448-20)242(410)331-176(70-48-107-311-284(304)305)244(412)363-226(154(19)372)274(442)358-197(233(401)316-129-212(382)312-130-213(383)318-151(16)278(446)447)135-449-451-139-201(355-253(421)186(117-157-57-31-25-32-58-157)344-256(424)195(127-220(393)394)350-267(435)204-72-50-109-366(204)275(443)167(289)61-43-102-306-279(294)295)265(433)339-182(114-142(5)6)248(416)338-180(93-96-218(389)390)276(444)368-111-52-74-206(368)277(445)367-110-51-73-205(367)268(436)349-189(122-162-81-89-166(376)90-82-162)259(427)362-224(152(17)370)269(437)317-133-216(386)365-108-49-71-203(365)266(434)357-202(264(432)333-169(63-36-40-99-286)235(403)320-148(13)229(397)328-175(69-47-106-310-283(302)303)243(411)360-223(145(10)22-2)272(440)361-222)140-454-450-136-198(325-214(384)131-313-211(381)128-315-232(400)183(119-159-75-83-163(373)84-76-159)351-270(438)221(143(7)8)359-258(426)190(118-158-59-33-26-34-60-158)352-273(441)225(153(18)371)364-245(413)177(335-262(199)430)91-94-207(290)377)261(429)334-172(66-44-103-307-280(296)297)236(404)321-147(12)228(396)327-170(64-37-41-100-287)237(405)330-173(67-45-104-308-281(298)299)238(406)345-192(124-209(292)379)255(423)347-193(125-210(293)380)254(422)343-184(115-155-53-27-23-28-54-155)249(417)332-171(65-38-42-101-288)240(408)353-196(134-369)260(428)323-150(15)231(399)329-178(92-95-217(387)388)241(409)348-194(126-219(391)392)257(425)356-200/h23-34,53-60,75-90,141-154,167-206,221-226,369-376H,21-22,35-52,61-74,91-140,285-289H2,1-20H3,(H2,290,377)(H2,291,378)(H2,292,379)(H2,293,380)(H,312,382)(H,313,381)(H,314,395)(H,315,400)(H,316,401)(H,317,437)(H,318,383)(H,319,402)(H,320,403)(H,321,404)(H,322,414)(H,323,428)(H,324,385)(H,325,384)(H,326,398)(H,327,396)(H,328,397)(H,329,399)(H,330,405)(H,331,410)(H,332,417)(H,333,432)(H,334,429)(H,335,430)(H,336,431)(H,337,439)(H,338,416)(H,339,433)(H,340,407)(H,341,419)(H,342,418)(H,343,422)(H,344,424)(H,345,406)(H,346,420)(H,347,423)(H,348,409)(H,349,436)(H,350,435)(H,351,438)(H,352,441)(H,353,408)(H,354,415)(H,355,421)(H,356,425)(H,357,434)(H,358,442)(H,359,426)(H,360,411)(H,361,440)(H,362,427)(H,363,412)(H,364,413)(H,387,388)(H,389,390)(H,391,392)(H,393,394)(H,446,447)(H4,294,295,306)(H4,296,297,307)(H4,298,299,308)(H4,300,301,309)(H4,302,303,310)(H4,304,305,311)/t144-,145-,146-,147-,148-,149-,150-,151-,152+,153+,154+,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,196-,197-,198-,199-,200-,201-,202-,203-,204-,205-,206-,221-,222-,223-,224-,225-,226-/m0/s1",ZPNFWUPYTFPOJU-LPYSRVMUSA-N,C284H432N84O79S7,6511,6510.051448,-25.4,2820,16700,0,93,97,111,454,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
TRYPSIN INHIBITOR,009035-81-8,169492845,"(3R)-4-[[(2S)-1-[[(1R,2aR,4R,5aR,8aR,11aR,13R,14aR,16S,17aR,19S,20aS,25S,26aS,29aS,31S,32aS,34S,35aS,37R,38aS,41aS,42R,44aS,45R,47aR,48S,50aS,51R,53aS,54R,56aR,57S,59aR,60S,62aS,63S,66S,69S,72S,75S,78S,81S,84S,87S,90S,93R)-29a,62a,69,84-tetrakis(4-aminobutyl)-35a,75,78-tris(2-amino-2-oxoethyl)-14a-(3-amino-3-oxopropyl)-8a,41a,72-tribenzyl-50a-[(2S)-butan-2-yl]-53a-[(2R)-butan-2-yl]-47a,48,56a,81,90-pentakis(3-carbamimidamidopropyl)-31,60-bis(2-carboxyethyl)-42-[[2-[[2-[[(1R)-1-carboxyethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-57-(carboxymethyl)-11a,45-bis[(1R)-1-hydroxyethyl]-13-[(1S)-1-hydroxyethyl]-66-(hydroxymethyl)-2a,16,38a,44a-tetrakis[(4-hydroxyphenyl)methyl]-26a,32a,59a,63,87-pentamethyl-20a,34-bis(2-methylpropyl)-51-(2-methylsulfanylethyl)-1a,3,4a,7a,9,10a,12,13a,15,16a,18,19a,22a,24,25a,28a,30,31a,33,34a,36,37a,40a,43a,44,46a,47,49a,50,52a,53,55a,56,58a,59,61a,62,64a,65,68,71,74,77,80,83,86,89,92,95,98-pentacontaoxo-5a-propan-2-yl-39,40,66a,67a,70a,71a-hexathia-a,2,3a,6a,8,9a,11,12a,14,15a,17,18a,21a,23,24a,27a,29,30a,32,33a,35,36a,39a,42a,43,45a,46,48a,49,51a,52,54a,55,57a,58,60a,61,63a,64,67,70,73,76,79,82,85,88,91,94,97-pentacontazahexacyclo[91.71.4.454,117.04,8.019,23.025,29]doheptacontahectan-37-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid",CC[C@@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC(=O)N6CCC[C@@H]6C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CC(=O)O)CCC(=O)O)C)CO)CCCCN)CC7=CC=CC=C7)CC(=O)N)CC(=O)N)CCCNC(=N)N)CCCCN)C)CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC2=O)CCC(=O)N)[C@@H](C)O)CC8=CC=CC=C8)C(C)C)CC9=CC=C(C=C9)O)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1)CCCNC(=N)N)C)CCCCN)[C@H](C)O)CC1=CC=C(C=C1)O)CCC(=O)O)CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N)C(=O)NCC(=O)NCC(=O)N[C@H](C)C(=O)O)[C@@H](C)O)CCCNC(=N)N)CCSC)CC(C)C)C)CCCCN)C)CC(=O)N)CC1=CC=C(C=C1)O)CC1=CC=CC=C1)CC1=CC=C(C=C1)O)CCCNC(=N)N)[C@@H](C)CC,"InChI=1S/C284H432N84O79S7/c1-21-144(9)222-271(439)337-174(68-46-105-309-282(300)301)239(407)340-187(120-160-77-85-164(374)86-78-160)251(419)341-185(116-156-55-29-24-30-56-156)250(418)342-188(121-161-79-87-165(375)88-80-161)252(420)346-191(123-208(291)378)246(414)322-149(14)230(398)326-168(62-35-39-98-285)234(402)319-146(11)227(395)314-132-215(385)324-181(113-141(3)4)247(415)354-199-137-452-453-138-200-263(431)336-179(97-112-448-20)242(410)331-176(70-48-107-311-284(304)305)244(412)363-226(154(19)372)274(442)358-197(233(401)316-129-212(382)312-130-213(383)318-151(16)278(446)447)135-449-451-139-201(355-253(421)186(117-157-57-31-25-32-58-157)344-256(424)195(127-220(393)394)350-267(435)204-72-50-109-366(204)275(443)167(289)61-43-102-306-279(294)295)265(433)339-182(114-142(5)6)248(416)338-180(93-96-218(389)390)276(444)368-111-52-74-206(368)277(445)367-110-51-73-205(367)268(436)349-189(122-162-81-89-166(376)90-82-162)259(427)362-224(152(17)370)269(437)317-133-216(386)365-108-49-71-203(365)266(434)357-202(264(432)333-169(63-36-40-99-286)235(403)320-148(13)229(397)328-175(69-47-106-310-283(302)303)243(411)360-223(145(10)22-2)272(440)361-222)140-454-450-136-198(325-214(384)131-313-211(381)128-315-232(400)183(119-159-75-83-163(373)84-76-159)351-270(438)221(143(7)8)359-258(426)190(118-158-59-33-26-34-60-158)352-273(441)225(153(18)371)364-245(413)177(335-262(199)430)91-94-207(290)377)261(429)334-172(66-44-103-307-280(296)297)236(404)321-147(12)228(396)327-170(64-37-41-100-287)237(405)330-173(67-45-104-308-281(298)299)238(406)345-192(124-209(292)379)255(423)347-193(125-210(293)380)254(422)343-184(115-155-53-27-23-28-54-155)249(417)332-171(65-38-42-101-288)240(408)353-196(134-369)260(428)323-150(15)231(399)329-178(92-95-217(387)388)241(409)348-194(126-219(391)392)257(425)356-200/h23-34,53-60,75-90,141-154,167-206,221-226,369-376H,21-22,35-52,61-74,91-140,285-289H2,1-20H3,(H2,290,377)(H2,291,378)(H2,292,379)(H2,293,380)(H,312,382)(H,313,381)(H,314,395)(H,315,400)(H,316,401)(H,317,437)(H,318,383)(H,319,402)(H,320,403)(H,321,404)(H,322,414)(H,323,428)(H,324,385)(H,325,384)(H,326,398)(H,327,396)(H,328,397)(H,329,399)(H,330,405)(H,331,410)(H,332,417)(H,333,432)(H,334,429)(H,335,430)(H,336,431)(H,337,439)(H,338,416)(H,339,433)(H,340,407)(H,341,419)(H,342,418)(H,343,422)(H,344,424)(H,345,406)(H,346,420)(H,347,423)(H,348,409)(H,349,436)(H,350,435)(H,351,438)(H,352,441)(H,353,408)(H,354,415)(H,355,421)(H,356,425)(H,357,434)(H,358,442)(H,359,426)(H,360,411)(H,361,440)(H,362,427)(H,363,412)(H,364,413)(H,387,388)(H,389,390)(H,391,392)(H,393,394)(H,446,447)(H4,294,295,306)(H4,296,297,307)(H4,298,299,308)(H4,300,301,309)(H4,302,303,310)(H4,304,305,311)/t144-,145+,146-,147-,148+,149-,150-,151+,152-,153+,154+,167-,168-,169-,170-,171-,172-,173-,174+,175+,176-,177+,178-,179+,180-,181-,182-,183+,184-,185-,186-,187-,188-,189-,190+,191-,192-,193-,194-,195+,196-,197-,198-,199-,200-,201-,202-,203+,204-,205-,206-,221+,222-,223-,224+,225+,226+/m0/s1",ZPNFWUPYTFPOJU-ZRPLRCOFSA-N,C284H432N84O79S7,6511,6510.051448,-25.4,2820,16700,0,93,97,111,454,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"1H-Pyrrolo(2,3-b)pyridine-3-propionic acid, alpha-amino-",1137-00-4,5354789,"2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid",C1=CC2=C(NC=C2CC(C(=O)O)N)N=C1,"InChI=1S/C10H11N3O2/c11-8(10(14)15)4-6-5-13-9-7(6)2-1-3-12-9/h1-3,5,8H,4,11H2,(H,12,13)(H,14,15)",SNLOIIPRZGMRAB-UHFFFAOYSA-N,C10H11N3O2,205.21,205.0851266,-2,92,247,0,3,4,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
7-AZAINDOLE,000271-63-6,9222,"1H-pyrrolo[2,3-b]pyridine",C1=CC2=C(NC=C2)N=C1,"InChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9)",MVXVYAKCVDQRLW-UHFFFAOYSA-N,C7H6N2,118.14,118.0530982,1.8,28.7,103,0,1,1,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GRAMICIDIN A,011029-61-1,16132269,(2R)-2-[[(2S)-2-[[2-[[(2S)-2-formamido-3-methylbutanoyl]amino]acetyl]amino]propanoyl]amino]-N-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-4-methylpentanamide,C[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)NCCO)NC(=O)CNC(=O)[C@H](C(C)C)NC=O,"InChI=1S/C99H140N20O17/c1-51(2)37-73(109-86(123)59(17)107-81(122)49-105-96(133)82(55(9)10)106-50-121)89(126)108-60(18)87(124)117-84(57(13)14)98(135)119-85(58(15)16)99(136)118-83(56(11)12)97(134)116-80(44-64-48-104-72-34-26-22-30-68(64)72)95(132)112-76(40-54(7)8)92(129)115-79(43-63-47-103-71-33-25-21-29-67(63)71)94(131)111-75(39-53(5)6)91(128)114-78(42-62-46-102-70-32-24-20-28-66(62)70)93(130)110-74(38-52(3)4)90(127)113-77(88(125)100-35-36-120)41-61-45-101-69-31-23-19-27-65(61)69/h19-34,45-48,50-60,73-80,82-85,101-104,120H,35-44,49H2,1-18H3,(H,100,125)(H,105,133)(H,106,121)(H,107,122)(H,108,126)(H,109,123)(H,110,130)(H,111,131)(H,112,132)(H,113,127)(H,114,128)(H,115,129)(H,116,134)(H,117,124)(H,118,136)(H,119,135)/t59-,60-,73+,74+,75+,76+,77-,78-,79-,80-,82-,83+,84+,85-/m0/s1",ZWCXYZRRTRDGQE-LUPIJMBPSA-N,C99H140N20O17,1882.3,1882.073888,10.7,549,3980,0,21,17,52,136,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
AZATHIOPRINE,000446-86-6,2265,6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine,CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-],"InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)",LMEKQMALGUDUQG-UHFFFAOYSA-N,C9H7N7O2S,277.27,277.0381937,0.1,143,354,0,1,7,2,19,,,0,0,0,1,0,1,0,1,0,0,1,0,0,1,0,0,1,0,0,1
"Purine, 2-amino-6-((1-methyl-4-nitroimidazol-5-yl)thio)-",005581-52-2,3379405,6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purin-2-amine,CN1C=NC(=C1SC2=NC(=NC3=C2NC=N3)N)[N+](=O)[O-],"InChI=1S/C9H8N8O2S/c1-16-3-13-6(17(18)19)8(16)20-7-4-5(12-2-11-4)14-9(10)15-7/h2-3H,1H3,(H3,10,11,12,14,15)",YFTWHEBLORWGNI-UHFFFAOYSA-N,C9H8N8O2S,292.28,292.0490927,-0.2,169,381,0,2,8,2,20,,,0,0,0,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"[1,2-BIS(DIPHENYLPHOSPHOINO)ETHANE]-DICHLORONICKEL(II)",014647-23-5,9871585,2-diphenylphosphanylethyl(diphenyl)phosphane;nickel(2+);dichloride,C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-].[Cl-].[Ni+2],"InChI=1S/C26H24P2.2ClH.Ni/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;;;/h1-20H,21-22H2;2*1H;/q;;;+2/p-2",XXECWTBMGGXMKP-UHFFFAOYSA-L,C26H24Cl2NiP2,528,526.008372,,0,336,0,0,2,7,31,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"1,2-BIS(DIPHENYLPHOSPHINO)ETHANE",001663-45-2,74267,2-diphenylphosphanylethyl(diphenyl)phosphane,C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C26H24P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2",QFMZQPDHXULLKC-UHFFFAOYSA-N,C26H24P2,398.4,398.1353248,5.9,0,336,0,0,0,7,28,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydantoin, 1-((5-nitrofurfurylidene)amino)-, monohydrate",17140-81-7,9571008,"1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione;hydrate",C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-].O,"InChI=1S/C8H6N4O5.H2O/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16;/h1-3H,4H2,(H,10,13,14);1H2/b9-3+;",NHBPVLAHAVEISO-JSGFVSQVSA-N,C8H8N4O6,256.17,256.044384,,122,390,0,2,7,2,18,,,0,0,0,1,0,0,0,0,0,0,1,0,0,0,1,0,0,1,0,0
"1-(((5-NITRO-2-FURANYL)METHYLENE)AMINO)-2,4-IMIDAZOLIDINEDIONE",000067-20-9,6604200,"1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione",C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-],"InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+",NXFQHRVNIOXGAQ-YCRREMRBSA-N,C8H6N4O5,238.16,238.0338193,-0.5,121,390,0,1,6,2,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
CYCLOOCTANONE,000502-49-8,10403,cyclooctanone,C1CCCC(=O)CCC1,InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2,IIRFCWANHMSDCG-UHFFFAOYSA-N,C8H14O,126.2,126.1044651,1.9,17.1,86,0,0,1,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BIS(2,6-DIISOPROPYLPHENYL)CARBODIIMIDE",002162-74-5,75100,"N,N'-bis[2,6-di(propan-2-yl)phenyl]methanediimine",CC(C)C1=C(C(=CC=C1)C(C)C)N=C=NC2=C(C=CC=C2C(C)C)C(C)C,"InChI=1S/C25H34N2/c1-16(2)20-11-9-12-21(17(3)4)24(20)26-15-27-25-22(18(5)6)13-10-14-23(25)19(7)8/h9-14,16-19H,1-8H3",XLDBGFGREOMWSL-UHFFFAOYSA-N,C25H34N2,362.5,362.2721991,9.1,24.7,419,0,0,2,6,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"3,4-ETHYLENEDIOXYTHIOPHENE",126213-50-1,4421864,"2,3-dihydrothieno[3,4-b][1,4]dioxine",C1COC2=CSC=C2O1,"InChI=1S/C6H6O2S/c1-2-8-6-4-9-3-5(6)7-1/h3-4H,1-2H2",GKWLILHTTGWKLQ-UHFFFAOYSA-N,C6H6O2S,142.18,142.0088506,1.3,46.7,95,0,0,3,0,9,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXINE-5-CARBOXYLIC ACID",260063-21-6,6483880,"2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid",C1COC2=C(SC=C2O1)C(=O)O,"InChI=1S/C7H6O4S/c8-7(9)6-5-4(3-12-6)10-1-2-11-5/h3H,1-2H2,(H,8,9)",DCCRIIFBJZOPAV-UHFFFAOYSA-N,C7H6O4S,186.19,185.9986798,1.2,84,196,0,1,5,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4,7,10-TETRAAZACYLODODECANE",000294-90-6,64963,"1,4,7,10-tetrazacyclododecane",C1CNCCNCCNCCN1,"InChI=1S/C8H20N4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h9-12H,1-8H2",QBPPRVHXOZRESW-UHFFFAOYSA-N,C8H20N4,172.27,172.1687967,-2.4,48.1,65,0,4,4,0,12,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRAACETIC ACID",060239-18-1,121841,"2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid",C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O,"InChI=1S/C16H28N4O8/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)",WDLRUFUQRNWCPK-UHFFFAOYSA-N,C16H28N4O8,404.42,404.1907139,-10.6,162,447,0,4,12,8,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
1-BOC-3-PYRROLIDINONE,101385-93-7,471360,tert-butyl 3-oxopyrrolidine-1-carboxylate,CC(C)(C)OC(=O)N1CCC(=O)C1,"InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h4-6H2,1-3H3",JSOMVCDXPUXKIC-UHFFFAOYSA-N,C9H15NO3,185.22,185.1051933,0.7,46.6,230,0,0,3,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Naphthalenemethanamine, alpha-methyl-N-(3-(3-(trifluoromethyl)phenyl)propyl)-, (alpha-R)-",226256-56-0,156419,N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine,C[C@H](C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)F,"InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1",VDHAWDNDOKGFTD-MRXNPFEDSA-N,C22H22F3N,357.4,357.1704342,6.1,12,422,0,1,4,6,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
CINACALCET HYDROCHLORIDE,364782-34-3,156418,N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride,C[C@H](C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)F.Cl,"InChI=1S/C22H22F3N.ClH/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25;/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3;1H/t16-;/m1./s1",QANQWUQOEJZMLL-PKLMIRHRSA-N,C22H23ClF3N,393.9,393.1471119,,12,422,0,2,4,6,27,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,1,0
"4,4'-TRIMETHYLENEDIPIPERIDINE",016898-52-5,85631,4-(3-piperidin-4-ylpropyl)piperidine,C1CNCCC1CCCC2CCNCC2,"InChI=1S/C13H26N2/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13/h12-15H,1-11H2",OXEZLYIDQPBCBB-UHFFFAOYSA-N,C13H26N2,210.36,210.2095988,2.5,24.1,140,0,2,2,4,15,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DI(1-METHYL-4-PIPERIDYL)PROPANE",064168-11-2,116563,1-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]piperidine,CN1CCC(CC1)CCCC2CCN(CC2)C,"InChI=1S/C15H30N2/c1-16-10-6-14(7-11-16)4-3-5-15-8-12-17(2)13-9-15/h14-15H,3-13H2,1-2H3",JWOTWWORMYMZCR-UHFFFAOYSA-N,C15H30N2,238.41,238.240899,3.4,6.5,179,0,0,2,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperazine, 1-((p-bromophenyl)sulfonyl)-4-methyl-",,710729,1-(4-bromophenyl)sulfonyl-4-methylpiperazine,CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br,"InChI=1S/C11H15BrN2O2S/c1-13-6-8-14(9-7-13)17(15,16)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3",CBNDEXDYZUNXBF-UHFFFAOYSA-N,C11H15BrN2O2S,319.22,318.00376,1.6,49,339,0,0,4,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
17BETA-HYDROXYESTR-4-EN-3-ONE HYDROCINNAMATE,000062-90-8,229455,"[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] 3-phenylpropanoate",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4=CC=CC=C4)CCC5=CC(=O)CC[C@H]35,"InChI=1S/C27H34O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h2-6,17,21-25H,7-16H2,1H3/t21-,22+,23+,24-,25-,27-/m0/s1",UBWXUGDQUBIEIZ-QNTYDACNSA-N,C27H34O3,406.6,406.2507949,5.1,43.4,703,0,0,3,5,30,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"TESTOSTERONE, HYDROCINNAMATE",001255-49-8,14743,"[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 3-phenylpropanoate",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4=CC=CC=C4)CCC5=CC(=O)CC[C@]35C,"InChI=1S/C28H36O3/c1-27-16-14-21(29)18-20(27)9-10-22-23-11-12-25(28(23,2)17-15-24(22)27)31-26(30)13-8-19-6-4-3-5-7-19/h3-7,18,22-25H,8-17H2,1-2H3/t22-,23-,24-,25-,27-,28-/m0/s1",HHSXYDOROIURIP-FEZCWRLCSA-N,C28H36O3,420.6,420.266445,5.8,43.4,747,0,0,3,5,31,,,0,1,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Ethanol, 2-(p-chlorophenyl)-1-(p-(2-(diethylamino)ethoxy)phenyl)-1-p-tolyl-",000078-41-1,6536,2-(4-chlorophenyl)-1-[4-[2-(diethylamino)ethoxy]phenyl]-1-(4-methylphenyl)ethanol,CCN(CC)CCOC1=CC=C(C=C1)C(CC2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)C)O,"InChI=1S/C27H32ClNO2/c1-4-29(5-2)18-19-31-26-16-12-24(13-17-26)27(30,23-10-6-21(3)7-11-23)20-22-8-14-25(28)15-9-22/h6-17,30H,4-5,18-20H2,1-3H3",SYHDSBBKRLVLFF-UHFFFAOYSA-N,C27H32ClNO2,438,437.212157,6.2,32.7,489,0,1,3,10,31,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEETHANOL, .ALPHA.,.ALPHA.-DIPHENYL-",004428-13-1,245013,"1,1,2-triphenylethanol",C1=CC=C(C=C1)CC(C2=CC=CC=C2)(C3=CC=CC=C3)O,"InChI=1S/C20H18O/c21-20(18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-17-10-4-1-5-11-17/h1-15,21H,16H2",QMPKJVBRCQVFLL-UHFFFAOYSA-N,C20H18O,274.4,274.1357652,4.5,20.2,275,0,1,1,4,21,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"3H-2,1-BENZOXATHIOL-3-ONE, 1,1-DIOXIDE",000081-08-3,65729,"1,1-dioxo-2,1lambda6-benzoxathiol-3-one",C1=CC=C2C(=C1)C(=O)OS2(=O)=O,"InChI=1S/C7H4O4S/c8-7-5-3-1-2-4-6(5)12(9,10)11-7/h1-4H",NCYNKWQXFADUOZ-UHFFFAOYSA-N,C7H4O4S,184.17,183.9830298,1,68.8,300,0,0,4,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4,9,10-PERYLENETETRACARBOXYLIC ACID",000081-32-3,66474,"perylene-3,4,9,10-tetracarboxylic acid",C1=CC(=C2C(=CC=C3C2=C1C4=C5C3=CC=C(C5=C(C=C4)C(=O)O)C(=O)O)C(=O)O)C(=O)O,"InChI=1S/C24H12O8/c25-21(26)13-5-1-9-10-2-6-15(23(29)30)20-16(24(31)32)8-4-12(18(10)20)11-3-7-14(22(27)28)19(13)17(9)11/h1-8H,(H,25,26)(H,27,28)(H,29,30)(H,31,32)",FVDOBFPYBSDRKH-UHFFFAOYSA-N,C24H12O8,428.3,428.0532173,3.9,149,706,0,4,8,4,32,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PERYLENE,000198-55-0,9142,perylene,C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2,InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H,CSHWQDPOILHKBI-UHFFFAOYSA-N,C20H12,252.3,252.0939004,5.8,0,304,0,0,0,0,20,,350-400 (sublimes),0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENOL, 4-ISOCYANATO-, PHOSPHOROTHIOATE (3:1) (ESTER)",004151-51-3,77798,tris(4-isocyanatophenoxy)-sulfanylidene-lambda5-phosphane,C1=CC(=CC=C1N=C=O)OP(=S)(OC2=CC=C(C=C2)N=C=O)OC3=CC=C(C=C3)N=C=O,"InChI=1S/C21H12N3O6PS/c25-13-22-16-1-7-19(8-2-16)28-31(32,29-20-9-3-17(4-10-20)23-14-26)30-21-11-5-18(6-12-21)24-15-27/h1-12H",KGLSETWPYVUTQX-UHFFFAOYSA-N,C21H12N3O6PS,465.4,465.0184433,9.1,148,696,0,0,10,9,32,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"PHOSPHOROTHIOIC ACID, O,O,O-TRIPHENYL ESTER",000597-82-0,69011,triphenoxy(sulfanylidene)-lambda5-phosphane,C1=CC=C(C=C1)OP(=S)(OC2=CC=CC=C2)OC3=CC=CC=C3,"InChI=1S/C18H15O3PS/c23-22(19-16-10-4-1-5-11-16,20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H",IKXFIBBKEARMLL-UHFFFAOYSA-N,C18H15O3PS,342.3,342.0479525,6.3,59.8,329,0,0,4,6,23,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"3H-PYRAZOL-3-IMINE, 2,4-DIHYDRO-5-METHYL-2-PHENYL-",006401-97-4,80812,5-methyl-2-phenyl-4H-pyrazol-3-imine,CC1=NN(C(=N)C1)C2=CC=CC=C2,"InChI=1S/C10H11N3/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h2-6,11H,7H2,1H3",VOQQGERWJRIHIK-UHFFFAOYSA-N,C10H11N3,173.21,173.0952974,1.4,39.5,239,0,1,2,1,13,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"AZIRIDINE, 1-(PHENYLSULFONYL)-",010302-15-5,25141,1-(benzenesulfonyl)aziridine,C1CN1S(=O)(=O)C2=CC=CC=C2,"InChI=1S/C8H9NO2S/c10-12(11,9-6-7-9)8-4-2-1-3-5-8/h1-5H,6-7H2",AXWKGBIMVDATLR-UHFFFAOYSA-N,C8H9NO2S,183.23,183.0353997,0.8,45.5,245,0,0,3,2,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-alpha-epoxy-3,14-dihydroxy-",016590-41-3,5360515,"(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one",C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O,"InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1",DQCKKXVULJGBQN-XFWGSAIBSA-N,C20H23NO4,341.4,341.1627082,1.9,70,621,0,2,5,2,25,,,1,1,1,1,0,0,0,0,0,0,1,0,0,0,1,0,0,1,0,0
"Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-alpha-oxy-3,14-dihydoxy-, hydrochl",016676-29-2,5485201,"(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride",C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O.Cl,"InChI=1S/C20H23NO4.ClH/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11;/h3-4,11,15,18,22,24H,1-2,5-10H2;1H/t15-,18+,19+,20-;/m1./s1",RHBRMCOKKKZVRY-ITLPAZOVSA-N,C20H24ClNO4,377.9,377.1393859,,70,621,0,3,5,2,26,,,0,1,1,1,0,0,0,0,0,0,1,0,0,0,1,0,0,1,0,0
"2-PROPANOL, 1-[(1,1-DIMETHYLETHYL)AMINO]-3-[[4-(4-MORPHOLINYL)-1,2,5-THIADIAZO",026839-75-8,33624,"(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol",CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O,"InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1",BLJRIMJGRPQVNF-JTQLQIEISA-N,C13H24N4O3S,316.42,316.1569118,1.8,108,310,0,2,8,7,21,,>100,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2-Propanol, 1-(tert-butylamino)-3-((4-morpholino-1,2,5-thiadiazol-3-yl)oxy)-, (-)-,maleate (1:1) (salt)",26921-17-5,5281056,"(Z)-but-2-enedioic acid;(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol",CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C13H24N4O3S.C4H4O4/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t10-;/m0./s1",WLRMANUAADYWEA-NWASOUNVSA-N,C17H28N4O7S,432.5,432.1678704,,183,429,0,4,12,9,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"CYCLOHEPTATRIENYLIUM, HEXAFLUOROPHOSPHATE(1-)",029663-54-5,169069,"cyclohepta-1,3,5-triene hexafluorophosphate",C1=CC=C[CH+]C=C1.F[P-](F)(F)(F)(F)F,"InChI=1S/C7H7.F6P/c1-2-4-6-7-5-3-1;1-7(2,3,4,5)6/h1-7H;/q+1;-1",ZCBPSALVMPRNKG-UHFFFAOYSA-N,C7H7F6P,236.09,236.0189562,,0,82,0,0,7,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TROPYLIUM TETRAFLUOROBORATE,027081-10-3,152926,"cyclohepta-1,3,5-triene tetrafluoroborate",[B-](F)(F)(F)F.C1=CC=C[CH+]C=C1,"InChI=1S/C7H7.BF4/c1-2-4-6-7-5-3-1;2-1(3,4)5/h1-7H;/q+1;-1",SQVQHTIKOZVGLR-UHFFFAOYSA-N,C7H7BF4,177.94,178.057693,,0,38,0,0,5,0,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"5-Heptenoic acid, 7-(2-(4-(3-chlorophenoxy)-3-hydroxy-1-butenyl)-3,5-dihydroxy",040665-92-7,5311053,"(Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid",C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/[C@H](COC2=CC(=CC=C2)Cl)O)C/C=C\CCCC(=O)O)O,"InChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1",VJGGHXVGBSZVMZ-QIZQQNKQSA-N,C22H29ClO6,424.9,424.1652663,2.7,107,551,0,4,6,11,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0
"5-Heptenoic acid, 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((1E,3R)-3-hydroxy-4-(3-(trifluoromethyl)phenoxy)-1-butenyl)cyclopentyl)-, 1-methylethyl ester, (5Z)-",157283-68-6,5282226,"propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate",CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](COC2=CC=CC(=C2)C(F)(F)F)O)O)O,"InChI=1S/C26H35F3O6/c1-17(2)35-25(33)11-6-4-3-5-10-21-22(24(32)15-23(21)31)13-12-19(30)16-34-20-9-7-8-18(14-20)26(27,28)29/h3,5,7-9,12-14,17,19,21-24,30-32H,4,6,10-11,15-16H2,1-2H3/b5-3-,13-12+/t19-,21-,22-,23+,24-/m1/s1",MKPLKVHSHYCHOC-AHTXBMBWSA-N,C26H35F3O6,500.5,500.2385733,4.1,96.2,693,0,3,9,13,35,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
BUTORPHANOL,042408-82-2,5361092,"(1S,9R,10S)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol",C1CC[C@]2([C@H]3CC4=C([C@]2(C1)CCN3CC5CCC5)C=C(C=C4)O)O,"InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1",IFKLAQQSCNILHL-QHAWAJNXSA-N,C21H29NO2,327.5,327.2198292,3.8,43.7,492,0,2,3,2,24,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
TORBUTROL,058786-99-5,5464090,"(1S,9R,10S)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol;(2S,3S)-2,3-dihydroxybutanedioic acid",C1CC[C@]2([C@H]3CC4=C([C@]2(C1)CCN3CC5CCC5)C=C(C=C4)O)O.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C21H29NO2.C4H6O6/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15;5-1(3(7)8)2(6)4(9)10/h6-7,13,15,19,23-24H,1-5,8-12,14H2;1-2,5-6H,(H,7,8)(H,9,10)/t19-,20+,21-;1-,2-/m10/s1",GMTYREVWZXJPLF-AFHUBHILSA-N,C25H35NO8,477.5,477.2362671,,159,626,0,6,9,5,34,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,1
"4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((4-ethyl-2,3-dioxo-",059703-84-3,23666879,"sodium (2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].[Na+],"InChI=1S/C23H27N5O7S.Na/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28;/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34);/q;+1/p-1/t13-,14-,15+,20-;/m1./s1",WCMIIGXFCMNQDS-IDYPWDAWSA-M,C23H26N5NaO7S,539.5,539.1450636,,185,989,0,2,8,6,37,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-(((((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)phenylacetyl)amino)-7-oxo-, (2S-(2-alpha,5-alpha,6-beta(S*)))-",61477-96-1,43672,"(2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O,"InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1",IVBHGBMCVLDMKU-GXNBUGAJSA-N,C23H27N5O7S,517.6,517.1631194,0.5,182,982,0,3,8,6,36,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1,0,0
"7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-3-",082419-36-1,4583,"7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid",CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O,"InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)",GSDSWSVVBLHKDQ-UHFFFAOYSA-N,C18H20FN3O4,361.4,361.1437843,-0.4,73.3,634,0,1,8,2,26,,,0,1,1,1,0,0,0,0,0,0,1,0,0,1,1,0,0,1,0,0
"7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-3-",100986-85-4,149096,"(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid",C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O,"InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1",GSDSWSVVBLHKDQ-JTQLQIEISA-N,C18H20FN3O4,361.4,361.1437843,-0.4,73.3,634,0,1,8,2,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0
Bosentan hydrate,157212-55-0,185462,4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide;hydrate,CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC.O,"InChI=1S/C27H29N5O6S.H2O/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24;/h5-15,33H,16-17H2,1-4H3,(H,30,31,32);1H2",SXTRWVVIEPWAKM-UHFFFAOYSA-N,C27H31N5O7S,569.6,569.1944195,,155,839,0,3,12,11,40,,,0,1,1,1,0,0,1,1,0,0,0,0,0,1,0,0,1,1,0,1
"Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyp",147536-97-8,104865,4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide,CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC,"InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)",GJPICJJJRGTNOD-UHFFFAOYSA-N,C27H29N5O6S,551.6,551.1838548,3.8,154,839,0,2,11,11,39,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
MALEIMIDE RESIN,003006-93-7,18156,"1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione",C1=CC(=CC(=C1)N2C(=O)C=CC2=O)N3C(=O)C=CC3=O,InChI=1S/C14H8N2O4/c17-11-4-5-12(18)15(11)9-2-1-3-10(8-9)16-13(19)6-7-14(16)20/h1-8H,IPJGAEWUPXWFPL-UHFFFAOYSA-N,C14H8N2O4,268.22,268.0484067,0.2,74.8,480,0,0,4,2,20,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"1,3-DIMORPHOLINO-2-NITROPROPANE",081104-52-1,688110,4-(3-morpholin-4-yl-2-nitropropyl)morpholine,C1COCCN1CC(CN2CCOCC2)[N+](=O)[O-],"InChI=1S/C11H21N3O4/c15-14(16)11(9-12-1-5-17-6-2-12)10-13-3-7-18-8-4-13/h11H,1-10H2",HSZDKPZQCXWNRJ-UHFFFAOYSA-N,C11H21N3O4,259.3,259.1532062,-0.6,70.8,240,0,0,6,4,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(3BETA)-17-(3-PYRIDINYL)ANDROSTA-5,16-DIEN-3-OL ACETATE (ESTER)",154229-18-2,9821849,"[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate",CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C,"InChI=1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1",UVIQSJCZCSLXRZ-UBUQANBQSA-N,C26H33NO2,391.5,391.2511293,5.2,39.2,739,0,0,3,3,29,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Androsta-5,16-dien-3-ol, 17-(3-pyridinyl)-, (3beta)-",154229-19-3,132971,"(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol",C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CN=CC=C5)C)O,"InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1",GZOSMCIZMLWJML-VJLLXTKPSA-N,C24H31NO,349.5,349.2405646,4.6,33.1,636,0,1,2,1,26,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
COOMASSIE BRILLIANT BLUE R,006104-59-2,61365,"sodium 3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate",CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=C(C=C5)NC6=CC=C(C=C6)OCC.[Na+],"InChI=1S/C45H45N3O7S2.Na/c1-4-47(31-33-9-7-11-43(29-33)56(49,50)51)40-23-15-36(16-24-40)45(35-13-19-38(20-14-35)46-39-21-27-42(28-22-39)55-6-3)37-17-25-41(26-18-37)48(5-2)32-34-10-8-12-44(30-34)57(52,53)54;/h7-30H,4-6,31-32H2,1-3H3,(H2,49,50,51,52,53,54);/q;+1/p-1",NKLPQNGYXWVELD-UHFFFAOYSA-M,C45H44N3NaO7S2,826,825.2518374,,159,1500,0,1,9,13,58,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
BATHOCUPROINE,004733-39-5,65149,"2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline",CC1=CC(=C2C=CC3=C(C=C(N=C3C2=N1)C)C4=CC=CC=C4)C5=CC=CC=C5,"InChI=1S/C26H20N2/c1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17/h3-16H,1-2H3",STTGYIUESPWXOW-UHFFFAOYSA-N,C26H20N2,360.4,360.1626486,6.5,25.8,461,0,0,2,2,28,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BATHOPHENANTHROLINE,001662-01-7,72812,"4,7-diphenyl-1,10-phenanthroline",C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5,InChI=1S/C24H16N2/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1-16H,DHDHJYNTEFLIHY-UHFFFAOYSA-N,C24H16N2,332.4,332.1313485,5.7,25.8,409,0,0,2,2,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COUMARIN 540,038215-36-0,100334,"3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one",CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4S3,"InChI=1S/C20H18N2O2S/c1-3-22(4-2)14-10-9-13-11-15(20(23)24-17(13)12-14)19-21-16-7-5-6-8-18(16)25-19/h5-12H,3-4H2,1-2H3",VBVAVBCYMYWNOU-UHFFFAOYSA-N,C20H18N2O2S,350.4,350.108899,4.9,70.7,534,0,0,5,4,25,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1-BENZOPYRAN-4-CARBONITRILE, 3-(2-BENZOTHIAZOLYL)-7-(DIETHYLAMINO)-2-OXO-",070546-25-7,112424,"3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-2-oxochromene-4-carbonitrile",CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=NC4=CC=CC=C4S3)C#N,"InChI=1S/C21H17N3O2S/c1-3-24(4-2)13-9-10-14-15(12-22)19(21(25)26-17(14)11-13)20-23-16-7-5-6-8-18(16)27-20/h5-11H,3-4H2,1-2H3",NDKYYKABKLOOAP-UHFFFAOYSA-N,C21H17N3O2S,375.4,375.104148,4.3,94.5,666,0,0,6,4,27,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-BIS(DIPHENYLPHOSPHINO)PROPANE",006737-42-4,81219,3-diphenylphosphanylpropyl(diphenyl)phosphane,C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C27H26P2/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-12,14-21H,13,22-23H2",LVEYOSJUKRVCCF-UHFFFAOYSA-N,C27H26P2,412.4,412.1509748,6.2,0,350,0,0,0,8,29,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"[1,3-BIS(DIPHENYLPHOSPHINO)PROPANE]NICKEL(II) CHLORIDE",015629-92-2,2724937,dichloronickel;3-diphenylphosphanylpropyl(diphenyl)phosphane,C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl[Ni]Cl,"InChI=1S/C27H26P2.2ClH.Ni/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;;;/h1-12,14-21H,13,22-23H2;2*1H;/q;;;+2/p-2",ZBQUMMFUJLOTQC-UHFFFAOYSA-L,C27H26Cl2NiP2,542,540.024022,,0,353,0,0,0,8,32,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,1,1,0,1
7-DEAZAGUANINE,007355-55-7,135408714,"2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one",C1=CNC2=C1C(=O)NC(=N2)N,"InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H4,7,8,9,10,11)",OLAFFPNXVJANFR-UHFFFAOYSA-N,C6H6N4O,150.14,150.0541608,-0.8,83.3,225,0,3,2,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"7H-Pyrrolo(2,3-d)pyrimidin-4-ol",3680-71-5,135408689,"3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one",C1=CNC2=C1C(=O)NC=N2,"InChI=1S/C6H5N3O/c10-6-4-1-2-7-5(4)8-3-9-6/h1-3H,(H2,7,8,9,10)",FBMZEITWVNHWJW-UHFFFAOYSA-N,C6H5N3O,135.12,135.0432618,-0.2,57.3,189,0,2,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
RHODAMINE 560 CHLORIDE,013558-31-1,11617572,2-(3-amino-6-iminoxanthen-9-yl)benzoic acid;hydrochloride,C1=CC=C(C(=C1)C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N)C(=O)O.Cl,"InChI=1S/C20H14N2O3.ClH/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24;/h1-10,21H,22H2,(H,23,24);1H",JNGRENQDBKMCCR-UHFFFAOYSA-N,C20H15ClN2O3,366.8,366.07712,,96.4,691,0,4,5,2,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
RHODAMINE 123,062669-70-9,9929799,methyl 2-(3-amino-6-iminoxanthen-9-yl)benzoate;hydrochloride,COC(=O)C1=CC=CC=C1C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N.Cl,"InChI=1S/C21H16N2O3.ClH/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20;/h2-11,22H,23H2,1H3;1H",MYFATKRONKHHQL-UHFFFAOYSA-N,C21H17ClN2O3,380.8,380.0927701,,85.4,706,0,3,5,3,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ETHYLENE GLYCOL DIGLYCIDYL ETHER,002224-15-9,16683,2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane,C1C(O1)COCCOCC2CO2,"InChI=1S/C8H14O4/c1(9-3-7-5-11-7)2-10-4-8-6-12-8/h7-8H,1-6H2",AOBIOSPNXBMOAT-UHFFFAOYSA-N,C8H14O4,174.19,174.0892089,-0.7,43.5,123,0,0,4,7,12,,,0,0,0,1,0,0,0,1,0,0,1,0,0,0,0,0,1,1,0,0
GLYCEROL DIGLYCIDYL ETHER,027043-36-3,10330532,"2,3-bis(oxiran-2-ylmethoxy)propan-1-ol",C1C(O1)COCC(CO)OCC2CO2,"InChI=1S/C9H16O5/c10-1-7(12-5-9-6-14-9)2-11-3-8-4-13-8/h7-10H,1-6H2",IVIDDMGBRCPGLJ-UHFFFAOYSA-N,C9H16O5,204.22,204.0997736,-1.3,63.8,175,0,1,5,8,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3'-DIETHYLHEPTAMETHINETHIACYANINE IODIDE",003071-70-3,5702699,"(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide",CCN\1C2=CC=CC=C2S/C1=C\C=C\C=C\C=C\C3=[N+](C4=CC=CC=C4S3)CC.[I-],"InChI=1S/C25H25N2S2.HI/c1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1",OYVFJKVYVDYPFV-UHFFFAOYSA-M,C25H25IN2S2,544.5,544.05039,,60.7,601,0,0,4,6,30,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3'-DIETHYLTHIATRICARBOCYANINE PERCHLORATE",022268-66-2,5702701,"(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole perchlorate",CCN\1C2=CC=CC=C2S/C1=C\C=C\C=C\C=C\C3=[N+](C4=CC=CC=C4S3)CC.[O-]Cl(=O)(=O)=O,"InChI=1S/C25H25N2S2.ClHO4/c1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25;2-1(3,4)5/h5-19H,3-4H2,1-2H3;(H,2,3,4,5)/q+1;/p-1",PZQHZVAROUTGBU-UHFFFAOYSA-M,C25H25ClN2O4S2,517.1,516.0944273,,135,697,0,0,7,6,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
8-AZAGUANINE,000134-58-7,135403646,"5-amino-2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one",C12=NNN=C1N=C(NC2=O)N,"InChI=1S/C4H4N6O/c5-4-6-2-1(3(11)7-4)8-10-9-2/h(H4,5,6,7,8,9,10,11)",LPXQRXLUHJKZIE-UHFFFAOYSA-N,C4H4N6O,152.11,152.0446588,-1.5,109,225,0,3,4,0,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
8-AZAHYPOXANTHINE,002683-90-1,135410720,"2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one",C1=NC2=NNN=C2C(=O)N1,"InChI=1S/C4H3N5O/c10-4-2-3(5-1-6-4)8-9-7-2/h1H,(H2,5,6,7,8,9,10)",OEEYCNOOAHGFHL-UHFFFAOYSA-N,C4H3N5O,137.1,137.0337597,-1,83,190,0,2,4,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-BIS(4-METHYL-ALPHA-STYRYL)BENZENE",013280-61-0,94347,"1,4-bis[2-(2-methylphenyl)ethenyl]benzene",CC1=CC=CC=C1C=CC2=CC=C(C=C2)C=CC3=CC=CC=C3C,"InChI=1S/C24H22/c1-19-7-3-5-9-23(19)17-15-21-11-13-22(14-12-21)16-18-24-10-6-4-8-20(24)2/h3-18H,1-2H3",QKLPIYTUUFFRLV-UHFFFAOYSA-N,C24H22,310.4,310.1721507,7.2,0,370,0,0,0,4,24,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
"Phenol, 4,4'-((2-bromo-1,4-phenylene)bis((1E)-2,1-ethenediyl))bis-",872201-12-2,44828481,4-[(E)-2-[3-bromo-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol,C1=CC(=CC=C1/C=C/C2=CC(=C(C=C2)/C=C/C3=CC=C(C=C3)O)Br)O,"InChI=1S/C22H17BrO2/c23-22-15-18(2-1-16-5-11-20(24)12-6-16)4-10-19(22)9-3-17-7-13-21(25)14-8-17/h1-15,24-25H/b2-1+,9-3+",OXPHQQMZTXMEGO-RJTULKDBSA-N,C22H17BrO2,393.3,392.04119,6.4,40.5,445,0,2,2,4,25,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"N,N'-DIETHYL-N,N'-DIPHENYLETHYLENEDIAMINE",007030-59-3,4093514,"N,N'-diethyl-N,N'-diphenylethane-1,2-diamine",CCN(CCN(CC)C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C18H24N2/c1-3-19(17-11-7-5-8-12-17)15-16-20(4-2)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3",GTIKMPFJLWCUCO-UHFFFAOYSA-N,C18H24N2,268.4,268.1939488,4.6,6.5,216,0,0,2,7,20,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"IONOMYCIN, CALCIUM",056092-82-1,6446270,"calcium (4R,6S,8S,10Z,12R,14R,16E,18R,19R,20S,21S)-19,21-dihydroxy-22-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-4,6,8,12,14,18,20-heptamethyl-11-oxido-9-oxodocosa-10,16-dienoate",C[C@H](CCC(=O)[O-])C[C@H](C)C[C@H](C)C(=O)/C=C(/[C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@H]([C@@H](C)[C@H](C[C@@H]1CC[C@@](O1)(C)[C@H]2CC[C@@](O2)(C)[C@@H](C)O)O)O)\[O-].[Ca+2],"InChI=1S/C41H72O9.Ca/c1-25(21-29(5)34(43)24-35(44)30(6)22-27(3)20-26(2)14-15-38(46)47)12-11-13-28(4)39(48)31(7)36(45)23-33-16-18-41(10,49-33)37-17-19-40(9,50-37)32(8)42;/h11,13,24-33,36-37,39,42-43,45,48H,12,14-23H2,1-10H3,(H,46,47);/q;+2/p-2/b13-11+,34-24-;/t25-,26-,27+,28-,29-,30+,31+,32-,33+,36+,37-,39-,40+,41+;/m1./s1",WKRWUYKLUMMAKG-WYGBAUISSA-L,C41H70CaO9,747.1,746.4645747,,159,1120,0,3,9,21,51,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
IONOMYCIN,056092-81-0,6912226,"(4R,6S,8S,10Z,12R,14R,16E,18R,19R,20S,21S)-11,19,21-trihydroxy-22-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-4,6,8,12,14,18,20-heptamethyl-9-oxodocosa-10,16-dienoic acid",C[C@H](CCC(=O)O)C[C@H](C)C[C@H](C)C(=O)/C=C(/[C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@H]([C@@H](C)[C@H](C[C@@H]1CC[C@@](O1)(C)[C@H]2CC[C@@](O2)(C)[C@@H](C)O)O)O)\O,"InChI=1S/C41H72O9/c1-25(21-29(5)34(43)24-35(44)30(6)22-27(3)20-26(2)14-15-38(46)47)12-11-13-28(4)39(48)31(7)36(45)23-33-16-18-41(10,49-33)37-17-19-40(9,50-37)32(8)42/h11,13,24-33,36-37,39,42-43,45,48H,12,14-23H2,1-10H3,(H,46,47)/b13-11+,34-24-/t25-,26-,27+,28-,29-,30+,31+,32-,33+,36+,37-,39-,40+,41+/m1/s1",PGHMRUGBZOYCAA-ADZNBVRBSA-N,C41H72O9,709,708.5176339,7.5,154,1120,0,5,9,22,50,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-BROMO A-23187, FREE ACID",076455-48-6,115325,"6-bromo-5-(methylamino)-2-[[(2S,3R,5R,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid",C[C@@H]1CCC2([C@@H](C[C@H]([C@H](O2)[C@H](C)C(=O)C3=CC=CN3)C)C)O[C@@H]1CC4=NC5=C(C(=C(C=C5O4)Br)NC)C(=O)O,"InChI=1S/C29H36BrN3O6/c1-14-8-9-29(16(3)11-15(2)27(39-29)17(4)26(34)19-7-6-10-32-19)38-20(14)13-22-33-25-21(37-22)12-18(30)24(31-5)23(25)28(35)36/h6-7,10,12,14-17,20,27,31-32H,8-9,11,13H2,1-5H3,(H,35,36)/t14-,15-,16-,17-,20-,27+,29?/m1/s1",LDXQFZZGVTWFCF-DWUXPROESA-N,C29H36BrN3O6,602.5,601.17875,6.6,127,910,0,3,8,7,39,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CALCIMYCIN,052665-69-7,11957499,"5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid",C[C@@H]1CC[C@]2([C@@H](C[C@H]([C@H](O2)[C@H](C)C(=O)C3=CC=CN3)C)C)O[C@@H]1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC,"InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/s1",HIYAVKIYRIFSCZ-CYEMHPAKSA-N,C29H37N3O6,523.6,523.2682359,5.9,127,873,0,3,8,7,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENTAZON,025057-89-0,2328,"2,2-dioxo-3-propan-2-yl-1H-2lambda6,1,3-benzothiadiazin-4-one",CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O,"InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3",ZOMSMJKLGFBRBS-UHFFFAOYSA-N,C10H12N2O3S,240.28,240.0568634,2.8,74.9,385,0,1,4,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,1,0,0
BENTAZON METHYL DERIVATIVE,,611316,"1-methyl-2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-4-one",CC(C)N1C(=O)C2=CC=CC=C2N(S1(=O)=O)C,"InChI=1S/C11H14N2O3S/c1-8(2)13-11(14)9-6-4-5-7-10(9)12(3)17(13,15)16/h4-8H,1-3H3",XFTQFXBQDVWOCY-UHFFFAOYSA-N,C11H14N2O3S,254.31,254.0725135,1.3,66.1,413,0,0,4,1,17,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,1,0,0
"1,3-DIPHENYLTRIAZENE",000136-35-6,8689,N-phenyldiazenylaniline,C1=CC=C(C=C1)NN=NC2=CC=CC=C2,"InChI=1S/C12H11N3/c1-3-7-11(8-4-1)13-15-14-12-9-5-2-6-10-12/h1-10H,(H,13,14)",ALIFPGGMJDWMJH-UHFFFAOYSA-N,C12H11N3,197.24,197.0952974,4,36.8,191,0,1,3,3,15,,"302 °F at 760 mmHg explodes (NTP, 1992)",0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Glycine, N-acetyl-, compd. with 4,4'-(diazoamino)dibenzamidine (2:1)",908-54-3,65060,2-acetamidoacetic acid;4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide,CC(=O)NCC(=O)O.C1=CC(=CC=C1C(=N)N)NN=NC2=CC=C(C=C2)C(=N)N,"InChI=1S/C14H15N7.C4H7NO3/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18;1-3(6)5-2-4(7)8/h1-8H,(H3,15,16)(H3,17,18)(H,19,20);2H2,1H3,(H,5,6)(H,7,8)",XJLITJHUQRBWPN-UHFFFAOYSA-N,C18H22N8O3,398.4,398.1814866,,203,500,0,7,8,7,29,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
METHYLENE BIS(O-ETHYLANILINE)TETRAGLYCIDYL ETHER,130728-76-6,159509,"4-[[4-[bis(oxiran-2-ylmethyl)amino]-3-ethylphenyl]methyl]-2-ethyl-N,N-bis(oxiran-2-ylmethyl)aniline",CCC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N(CC3CO3)CC4CO4)CC)N(CC5CO5)CC6CO6,"InChI=1S/C29H38N2O4/c1-3-22-10-20(5-7-28(22)30(12-24-16-32-24)13-25-17-33-25)9-21-6-8-29(23(4-2)11-21)31(14-26-18-34-26)15-27-19-35-27/h5-8,10-11,24-27H,3-4,9,12-19H2,1-2H3",PMPLQTWAQNSOSY-UHFFFAOYSA-N,C29H38N2O4,478.6,478.2831577,4.5,56.6,610,0,0,6,14,35,,,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,0
"2,3,7,8,12,13,17,18-OCTAETHYL-21H,23H-PORPHINE NICKEL(II)",024803-99-4,526506,"nickel(2+);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide",CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)C(=C3CC)CC)CC.[Ni+2],"InChI=1S/C36H44N4.Ni/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20H,9-16H2,1-8H3;/q-2;+2",DIGQQRGHPATISA-UHFFFAOYSA-N,C36H44N4Ni,591.5,590.291939,,26.7,1150,0,0,4,8,41,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
HEMATIN,015489-90-4,449355,"3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;iron(2+);hydrate",CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C(=C3CCC(=O)O)C)CCC(=O)O.O.[Fe+2],"InChI=1S/C34H34N4O4.Fe.H2O/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);;1H2/q;+2;/p-2",CODDGSIFXYHHJO-UHFFFAOYSA-L,C34H34FeN4O5,634.5,634.187856,,102,1580,0,3,9,8,44,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2-BIS[4-(4-AMINOPHENOXY)PHENYL]PROPANE",013080-86-9,83119,4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline,CC(C)(C1=CC=C(C=C1)OC2=CC=C(C=C2)N)C3=CC=C(C=C3)OC4=CC=C(C=C4)N,"InChI=1S/C27H26N2O2/c1-27(2,19-3-11-23(12-4-19)30-25-15-7-21(28)8-16-25)20-5-13-24(14-6-20)31-26-17-9-22(29)10-18-26/h3-18H,28-29H2,1-2H3",KMKWGXGSGPYISJ-UHFFFAOYSA-N,C27H26N2O2,410.5,410.1994281,6.4,70.5,475,0,2,4,6,31,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
BZ-DMT-DEOXYCYTIDINE (98%),067219-55-0,2724490,"N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide",COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)O,"InChI=1S/C37H35N3O7/c1-44-29-17-13-27(14-18-29)37(26-11-7-4-8-12-26,28-15-19-30(45-2)20-16-28)46-24-32-31(41)23-34(47-32)40-22-21-33(39-36(40)43)38-35(42)25-9-5-3-6-10-25/h3-22,31-32,34,41H,23-24H2,1-2H3,(H,38,39,42,43)/t31-,32+,34+/m0/s1",MYSNCIZBPUPZMQ-VOTWKOMSSA-N,C37H35N3O7,633.7,633.2475005,5.3,119,1080,0,2,7,11,47,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DC-CE PHOSPHORAMIDITE,102212-98-6,9832450,"N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide",CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6,"InChI=1S/C46H52N5O8P/c1-32(2)51(33(3)4)60(57-29-13-27-47)59-40-30-43(50-28-26-42(49-45(50)53)48-44(52)34-14-9-7-10-15-34)58-41(40)31-56-46(35-16-11-8-12-17-35,36-18-22-38(54-5)23-19-36)37-20-24-39(55-6)25-21-37/h7-12,14-26,28,32-33,40-41,43H,13,29-31H2,1-6H3,(H,48,49,52,53)/t40-,41+,43+,60?/m0/s1",PGTNFMKLGRFZDX-SALLYJDFSA-N,C46H52N5O8P,833.9,833.3553506,7.3,144,1440,0,1,10,19,60,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
HEMATOXYLIN,000517-28-2,442514,"(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol",C1C2=CC(=C(C=C2[C@H]3[C@@]1(COC4=C3C=CC(=C4O)O)O)O)O,"InChI=1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13-,16+/m0/s1",WZUVPPKBWHMQCE-XJKSGUPXSA-N,C16H14O6,302.28,302.0790382,1.2,110,444,0,5,6,0,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZ[B]INDENO[1,2-D]PYRAN-3,6A,9,10(6H)-TETROL, 7,11B-DIHYDRO-, (6AS-CIS)-",000474-07-7,73384,"(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,6a,9,10-tetrol",C1C2=CC(=C(C=C2[C@H]3[C@@]1(COC4=C3C=CC(=C4)O)O)O)O,"InChI=1S/C16H14O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,15,17-20H,6-7H2/t15-,16+/m0/s1",UWHUTZOCTZJUKC-JKSUJKDBSA-N,C16H14O5,286.28,286.0841235,1.5,90.2,415,0,4,5,0,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-CYCLOHEXANEDIONE",000765-87-7,13006,"cyclohexane-1,2-dione",C1CCC(=O)C(=O)C1,InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-4H2,OILAIQUEIWYQPH-UHFFFAOYSA-N,C6H8O2,112.13,112.0524295,-0.1,34.1,110,0,0,2,0,8,,193.00 to 195.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-CYCLOHEXANEDIONE, 3,5,5-TRIMETHYL-",057696-89-6,93772,"3,5,5-trimethylcyclohexane-1,2-dione",CC1CC(CC(=O)C1=O)(C)C,"InChI=1S/C9H14O2/c1-6-4-9(2,3)5-7(10)8(6)11/h6H,4-5H2,1-3H3",WEUZZYGESXCTCU-UHFFFAOYSA-N,C9H14O2,154.21,154.0993797,1.4,34.1,204,0,0,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
THAPSIGARGICIN,067526-94-7,10258363,"[(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] hexanoate",CCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O,"InChI=1S/C32H46O12/c1-9-12-13-15-22(35)41-26-24-23(18(5)25(26)42-28(36)17(4)11-3)27-32(39,31(8,38)29(37)43-27)20(40-21(34)14-10-2)16-30(24,7)44-19(6)33/h11,20,24-27,38-39H,9-10,12-16H2,1-8H3/b17-11-/t20-,24+,25-,26-,27-,30-,31+,32+/m0/s1",LXWLOFYIORKNSA-FFOGNQQCSA-N,C32H46O12,622.7,622.2989269,2.5,172,1240,0,2,12,15,44,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
THAPSIGARGIN,067526-95-8,446378,"[(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate",CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O,"InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1",IXFPJGBNCFXKPI-FSIHEZPISA-N,C34H50O12,650.8,650.330227,3.6,172,1270,0,2,12,17,46,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"2-Naphthol, 1,1'-methylenedi-",1096-84-0,14187,1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol,C1=CC=C2C(=C1)C=CC(=C2CC3=C(C=CC4=CC=CC=C43)O)O,"InChI=1S/C21H16O2/c22-20-11-9-14-5-1-3-7-16(14)18(20)13-19-17-8-4-2-6-15(17)10-12-21(19)23/h1-12,22-23H,13H2",ZPANWZBSGMDWON-UHFFFAOYSA-N,C21H16O2,300.3,300.1150297,5.6,40.5,359,0,2,2,2,23,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
PAMOIC ACID,000130-85-8,8546,4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid,C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O,"InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)",WLJNZVDCPSBLRP-UHFFFAOYSA-N,C23H16O6,388.4,388.0946882,5.8,115,568,0,4,6,4,29,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,5-DIHYDRO-4,5-DIOXO-1H-PYRROLO(2,3-F)QUINOLINE-2,7,9-TRICARBOX-YLIC ACID",072909-34-3,1024,"4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid",C1=C(C2=C(C(=O)C(=O)C3=C2NC(=C3)C(=O)O)N=C1C(=O)O)C(=O)O,"InChI=1S/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24)",MMXZSJMASHPLLR-UHFFFAOYSA-N,C14H6N2O8,330.21,330.0124152,-0.1,175,647,0,4,9,3,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrrolo(2,3-f)quinoline-2,7,9-tricarboxylic acid, 4,5-dihydro-4,5-dioxo-, disodium salt",122628-50-6,3078772,"disodium;2-carboxy-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate",C1=C(C2=C(C(=O)C(=O)C3=C2NC(=C3)C(=O)O)N=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+],"InChI=1S/C14H6N2O8.2Na/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18;;/h1-2,15H,(H,19,20)(H,21,22)(H,23,24);;/q;2*+1/p-2",UFVBOGYDCJNLPM-UHFFFAOYSA-L,C14H4N2Na2O8,374.17,373.9763037,,180,636,0,2,9,1,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-PHENYLTHIOPHENE,000825-55-8,69999,2-phenylthiophene,C1=CC=C(C=C1)C2=CC=CS2,InChI=1S/C10H8S/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-8H,PJRGDKFLFAYRBV-UHFFFAOYSA-N,C10H8S,160.24,160.0346714,3.7,28.2,116,0,0,1,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-[(AMINOCARBONYL)AMINO]-5-(4-FLUOROPHENYL)-3-THIOPHENECARBOXAMIDE,507475-17-4,9903786,2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide,C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F,"InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)",SAYGKHKXGCPTLX-UHFFFAOYSA-N,C12H10FN3O2S,279.29,279.0477759,1.7,126,361,0,3,4,3,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
DIHYDRORHODAMINE 123,109244-58-8,105032,"methyl 2-(3,6-diamino-9H-xanthen-9-yl)benzoate",COC(=O)C1=CC=CC=C1C2C3=C(C=C(C=C3)N)OC4=C2C=CC(=C4)N,"InChI=1S/C21H18N2O3/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20/h2-11,20H,22-23H2,1H3",FNEZBBILNYNQGC-UHFFFAOYSA-N,C21H18N2O3,346.4,346.1317424,3.4,87.6,487,0,2,5,3,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
RESMETHRIN,010453-86-8,5053,"(5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate",CC(=CC1C(C1(C)C)C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C,"InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3",VEMKTZHHVJILDY-UHFFFAOYSA-N,C22H26O3,338.4,338.1881947,6.1,39.4,497,0,0,3,7,25,,Decomposes at >180 °C,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (5-(phenylmethyl)-3-furanyl)methyl ester, (1RS-trans)-",10453-55-1,162381,"cis-(5-benzylfuran-3-yl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate",CC(=C[C@@H]1[C@H](C1(C)C)C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C,"InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3/t19-,20+/m1/s1",VEMKTZHHVJILDY-UXHICEINSA-N,C22H26O3,338.4,338.1881947,6.1,39.4,497,0,0,3,7,25,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
PALMATINE CHLORIDE HYDRATE,171869-95-7,16212317,"2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium;chloride;hydrate",COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC.O.[Cl-],"InChI=1S/C21H22NO4.ClH.H2O/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4;;/h5-6,9-12H,7-8H2,1-4H3;1H;1H2/q+1;;/p-1",PIQNSCSNSSZUIT-UHFFFAOYSA-M,C21H24ClNO5,405.9,405.1343006,,41.8,475,0,1,6,4,28,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
JATRORRHIZINE CHLORIDE,003621-38-3,72323,"2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol",COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC,"InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1",MXTLAHSTUOXGQF-UHFFFAOYSA-O,C20H20NO4+,338.4,338.1392331,3.4,51.8,461,1,1,4,3,25,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SULFOSUCCINIMIDYL 6-(BIOTINAMIDO)HEXANOATE,127062-22-0,71571497,"sodium 1-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate",C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)[O-])NC(=O)N2.[Na+],"InChI=1S/C20H30N4O9S2.Na/c25-15(7-4-3-6-13-18-12(11-34-13)22-20(29)23-18)21-9-5-1-2-8-17(27)33-24-16(26)10-14(19(24)28)35(30,31)32;/h12-14,18H,1-11H2,(H,21,25)(H2,22,23,29)(H,30,31,32);/q;+1/p-1/t12-,13-,14?,18-;/m0./s1",JJGWLCLUQNFDIS-GTSONSFRSA-M,C20H29N4NaO9S2,556.6,556.1273651,,225,959,0,3,10,14,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
THIOINOSINE,000574-25-4,676166,"9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione",C1=NC(=S)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,"InChI=1S/C10H12N4O4S/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)/t4-,6-,7-,10-/m1/s1",NKGPJODWTZCHGF-KQYNXXCUSA-N,C10H12N4O4S,284.29,284.0579261,-0.6,144,409,0,4,6,2,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
6-MERCAPTOPURINE-2'-DEOXYRIBOSIDE,002239-64-7,3037127,"9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione",C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC=NC3=S)CO)O,"InChI=1S/C10H12N4O3S/c15-2-6-5(16)1-7(17-6)14-4-13-8-9(14)11-3-12-10(8)18/h3-7,15-16H,1-2H2,(H,11,12,18)/t5-,6+,7+/m0/s1",WACLJMMBCDNRJE-RRKCRQDMSA-N,C10H12N4O3S,268.29,268.0630114,-1.1,124,380,0,3,5,2,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4,6,8-DECATETRAENEDIOIC ACID, 4-(1,2-EPOXY-1,5-DIMETHYL-4-HEXENYL)-5-METHOXY-1-OXASPIRO(2,5)OCT-6-YL ESTER",023110-15-8,6917655,"(2E,4E,6E,8E)-10-[[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy]-10-oxodeca-2,4,6,8-tetraenoic acid",CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)OC)C,"InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28)/b7-5+,8-6+,11-9+,12-10+/t19-,20-,23-,24-,25+,26+/m1/s1",NGGMYCMLYOUNGM-CSDLUJIJSA-N,C26H34O7,458.5,458.2304534,4,97.9,879,0,1,7,11,33,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamic acid, (chloroacetyl)-, (3R,4S,5S,6R)-5-methoxy-4-((2R,3R)-2-methyl-3-(3-methyl-2-butenyl)oxiranyl)-1-oxaspiro(2.5)oct-6-yl ester",129298-91-5,369976,"[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-(2-chloroacetyl)carbamate",CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)NC(=O)CCl)OC)C,"InChI=1S/C19H28ClNO6/c1-11(2)5-6-13-18(3,27-13)16-15(24-4)12(7-8-19(16)10-25-19)26-17(23)21-14(22)9-20/h5,12-13,15-16H,6-10H2,1-4H3,(H,21,22,23)/t12-,13-,15-,16-,18+,19+/m1/s1",MSHZHSPISPJWHW-PVDLLORBSA-N,C19H28ClNO6,401.9,401.1605153,2.5,89.7,636,0,1,6,7,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MATRINE,000519-02-8,91466,"(1R,2R,9S,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one",C1C[C@@H]2[C@H]3CCCN4[C@H]3[C@@H](CCC4)CN2C(=O)C1,"InChI=1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-/m0/s1",ZSBXGIUJOOQZMP-JLNYLFASSA-N,C15H24N2O,248.36,248.1888634,1.6,23.6,356,0,0,2,0,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
Sophoridine,6882-68-4,165549,"(1R,2R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one",C1C[C@@H]2[C@H]3CCCN4[C@H]3[C@H](CCC4)CN2C(=O)C1,"InChI=1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12-,13-,15+/m1/s1",ZSBXGIUJOOQZMP-BHPKHCPMSA-N,C15H24N2O,248.36,248.1888634,1.6,23.6,356,0,0,2,0,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-PHENYL-2-PROPYL BENZODITHIOATE,201611-77-0,11065602,2-phenylpropan-2-yl benzenecarbodithioate,CC(C)(C1=CC=CC=C1)SC(=S)C2=CC=CC=C2,"InChI=1S/C16H16S2/c1-16(2,14-11-7-4-8-12-14)18-15(17)13-9-5-3-6-10-13/h3-12H,1-2H3",KOBJYYDWSKDEGY-UHFFFAOYSA-N,C16H16S2,272.4,272.0693429,5,57.4,271,0,0,2,4,18,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZYL BENZODITHIOATE,027249-90-7,11459208,benzyl benzenecarbodithioate,C1=CC=C(C=C1)CSC(=S)C2=CC=CC=C2,"InChI=1S/C14H12S2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2",ZCKPFAYILJKXAT-UHFFFAOYSA-N,C14H12S2,244.4,244.0380427,4.4,57.4,213,0,0,2,4,16,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
4-VINYLBENZOCYCLOBUTENE,099717-87-0,22172249,"3-ethenylbicyclo[4.2.0]octa-1(6),2,4-triene",C=CC1=CC2=C(CC2)C=C1,"InChI=1S/C10H10/c1-2-8-3-4-9-5-6-10(9)7-8/h2-4,7H,1,5-6H2",DTGDMPJDZKDHEP-UHFFFAOYSA-N,C10H10,130.19,130.0782503,2.1,0,137,0,0,0,1,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9,9-BIS(4-AMINOPHENYL)FLUORENE",015499-84-0,631552,4-[9-(4-aminophenyl)fluoren-9-yl]aniline,C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)N)C5=CC=C(C=C5)N,"InChI=1S/C25H20N2/c26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-16H,26-27H2",KIFDSGGWDIVQGN-UHFFFAOYSA-N,C25H20N2,348.4,348.1626486,5.3,52,454,0,2,2,2,27,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"[1,3-BIS(2,6-DIISOPROPYLPHENYL)IMIDAZOL-2-YLIDENE](3-CHLOROPYRIDYL)PALLADIUM(II) DICHLORIDE",905459-27-0,16218181,"1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;3-chloropyridine;dichloropalladium",CC(C)C1=C(C(=CC=C1)C(C)C)N2CN(C=C2)C3=C(C=CC=C3C(C)C)C(C)C.C1=CC(=CN=C1)Cl.Cl[Pd]Cl,"InChI=1S/C27H38N2.C5H4ClN.2ClH.Pd/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;6-5-2-1-3-7-4-5;;;/h9-16,18-21H,17H2,1-8H3;1-4H;2*1H;/q;;;;+2/p-2",BLDKGTGQENJFON-UHFFFAOYSA-L,C32H42Cl3N3Pd,681.5,679.14791,,19.4,515,0,0,3,6,39,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ALPHA-CARBOLINE,000244-76-8,67486,"9H-pyrido[2,3-b]indole",C1=CC=C2C(=C1)C3=C(N2)N=CC=C3,"InChI=1S/C11H8N2/c1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10/h1-7H,(H,12,13)",BPMFPOGUJAAYHL-UHFFFAOYSA-N,C11H8N2,168.19,168.0687483,2.9,28.7,193,0,1,1,0,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"A-a-C (2-AMINO-9H-PYRIDO[2,3-b]INDOLE)",026148-68-5,62805,"9H-pyrido[2,3-b]indol-2-amine",C1=CC=C2C(=C1)C3=C(N2)N=C(C=C3)N,"InChI=1S/C11H9N3/c12-10-6-5-8-7-3-1-2-4-9(7)13-11(8)14-10/h1-6H,(H3,12,13,14)",FJTNLJLPLJDTRM-UHFFFAOYSA-N,C11H9N3,183.21,183.0796473,2.6,54.7,219,0,2,2,0,14,,,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"6-BROMO-2,1-BENZOXAZOLE",139557-44-1,72220925,"6-bromo-2,1-benzoxazole",C1=CC2=CON=C2C=C1Br,InChI=1S/C7H4BrNO/c8-6-2-1-5-4-10-9-7(5)3-6/h1-4H,XFJAECNYWJDKBG-UHFFFAOYSA-N,C7H4BrNO,198.02,196.94763,2.2,26,131,0,0,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ANTHRANIL,000271-58-9,67498,"2,1-benzoxazole",C1=CC2=CON=C2C=C1,InChI=1S/C7H5NO/c1-2-4-7-6(3-1)5-9-8-7/h1-5H,FZKCAHQKNJXICB-UHFFFAOYSA-N,C7H5NO,119.12,119.0371138,1.5,26,105,0,0,2,0,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"6,7-DIHYDRO-5H-QUINOLIN-8-ONE",056826-69-8,11744777,"6,7-dihydro-5H-quinolin-8-one",C1CC2=C(C(=O)C1)N=CC=C2,"InChI=1S/C9H9NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h2,4,6H,1,3,5H2",JIAKIQWNYAZUJD-UHFFFAOYSA-N,C9H9NO,147.17,147.0684139,1.3,30,167,0,0,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-CHLORO-6,7-DIHYDROQUINOLIN-8(5H)-ONE",129337-86-6,14680112,"2-chloro-6,7-dihydro-5H-quinolin-8-one",C1CC2=C(C(=O)C1)N=C(C=C2)Cl,"InChI=1S/C9H8ClNO/c10-8-5-4-6-2-1-3-7(12)9(6)11-8/h4-5H,1-3H2",RNMYIMYXZYOOHG-UHFFFAOYSA-N,C9H8ClNO,181.62,181.0294416,2.2,30,195,0,0,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Anthranilic acid, N-cinnamylidene-, methyl ester",,6445555,methyl 2-[[(E)-3-phenylprop-2-enylidene]amino]benzoate,COC(=O)C1=CC=CC=C1N=C/C=C/C2=CC=CC=C2,"InChI=1S/C17H15NO2/c1-20-17(19)15-11-5-6-12-16(15)18-13-7-10-14-8-3-2-4-9-14/h2-13H,1H3/b10-7+,18-13?",OOJFPYZBLJTFST-XKBVOMFJSA-N,C17H15NO2,265.31,265.1102787,3.5,38.7,356,0,0,3,5,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
5-PHENYLTHIAZOL-2-AMINE,039136-63-5,873119,"5-phenyl-1,3-thiazol-2-amine",C1=CC=C(C=C1)C2=CN=C(S2)N,"InChI=1S/C9H8N2S/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11)",LSLUWQIENURREM-UHFFFAOYSA-N,C9H8N2S,176.24,176.0408194,2.3,67.2,145,0,1,3,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4',4'',4'''-(PYRENE-1,3,6,8-TETRAYL)TETRAANILINE",1610471-69-6,101573330,"4-[3,6,8-tris(4-aminophenyl)pyren-1-yl]aniline",C1=CC(=CC=C1C2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)C6=CC=C(C=C6)N)C7=CC=C(C=C7)N)C8=CC=C(C=C8)N)N,"InChI=1S/C40H30N4/c41-27-9-1-23(2-10-27)35-21-36(24-3-11-28(42)12-4-24)32-19-20-34-38(26-7-15-30(44)16-8-26)22-37(25-5-13-29(43)14-6-25)33-18-17-31(35)39(32)40(33)34/h1-22H,41-44H2",XDTZQQXBFDIDSL-UHFFFAOYSA-N,C40H30N4,566.7,566.247047,8.8,104,789,0,4,4,4,44,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4',4"",4'''-(PYRENE-1,3,6,8-TETRAYL)TETRABENZALDEHYDE)",1415238-25-3,102525648,"4-[3,6,8-tris(4-formylphenyl)pyren-1-yl]benzaldehyde",C1=CC(=CC=C1C=O)C2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)C6=CC=C(C=C6)C=O)C7=CC=C(C=C7)C=O)C8=CC=C(C=C8)C=O,InChI=1S/C44H26O4/c45-23-27-1-9-31(10-2-27)39-21-40(32-11-3-28(24-46)4-12-32)36-19-20-38-42(34-15-7-30(26-48)8-16-34)22-41(33-13-5-29(25-47)6-14-33)37-18-17-35(39)43(36)44(37)38/h1-26H,ZGLHKEJAGHMUHR-UHFFFAOYSA-N,C44H26O4,618.7,618.1831093,9.4,68.3,945,0,0,4,8,48,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(4,4'-DI-TERT-BUTYL-2,2'-BIPYRIDINE)BIS((2-PYRIDINYL)PHENYL)IRIDIUM(III) HEXAFLUOROPHOSPHATE",676525-77-2,60146995,4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;iridium(3+);bis(2-phenylpyridine);hexafluorophosphate,CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C.C1=CC=C([C-]=C1)C2=CC=CC=N2.C1=CC=C([C-]=C1)C2=CC=CC=N2.F[P-](F)(F)(F)(F)F.[Ir+3],"InChI=1S/C18H24N2.2C11H8N.F6P.Ir/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-7(2,3,4,5)6;/h7-12H,1-6H3;2*1-6,8-9H;;/q;3*-1;+3",VCIVELSSYHAWGC-UHFFFAOYSA-N,C40H40F6IrN4P,914,914.2524,,51.6,576,0,0,13,5,52,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"(4,4'-DI-TERT-BUTYL-2,2'-BIPYRIDINE)BIS[3,5-DIFLUORO-2-[5-TRIFLUOROMETHYL-2-PYRIDINYL-KAPPAN)PHENYL-KAPPAC]IRIDIUM(III) HEXAFLUOROPHOSPHATE",870987-63-6,53260182,"4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium(3+);hexafluorophosphate",CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C.C1=CC(=NC=C1C(F)(F)F)C2=C(C=C(C=[C-]2)F)F.C1=CC(=NC=C1C(F)(F)F)C2=C(C=C(C=[C-]2)F)F.F[P-](F)(F)(F)(F)F.[Ir+3],"InChI=1S/C18H24N2.2C12H5F5N.F6P.Ir/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*13-8-2-3-9(10(14)5-8)11-4-1-7(6-18-11)12(15,16)17;1-7(2,3,4,5)6;/h7-12H,1-6H3;2*1-2,4-6H;;/q;3*-1;+3",XFAXYKCDJPDUTA-UHFFFAOYSA-N,C42H34F16IrN4P,1121.9,1122.18948,,51.6,1270,0,0,23,5,64,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIPHENYLACETYLENE,000501-65-5,10390,2-phenylethynylbenzene,C1=CC=C(C=C1)C#CC2=CC=CC=C2,InChI=1S/C14H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,JRXXLCKWQFKACW-UHFFFAOYSA-N,C14H10,178.23,178.0782503,4.8,0,193,0,0,0,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(PHENYLETHYNYL)BENZALDEHYDE,057341-98-7,609908,4-(2-phenylethynyl)benzaldehyde,C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C=O,"InChI=1S/C15H10O/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-12H",SYCFYQFCFHKYPI-UHFFFAOYSA-N,C15H10O,206.24,206.0731649,4.2,17.1,279,0,0,1,3,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
M-DIPHENYLBENZENE,000092-06-8,7076,"1,3-diphenylbenzene",C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=CC=C3,InChI=1S/C18H14/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h1-14H,YJTKZCDBKVTVBY-UHFFFAOYSA-N,C18H14,230.3,230.1095504,5.6,0,208,0,0,0,2,18,"375 °F (NIOSH, 2024)","689 °F at 760 mmHg (NIOSH, 2024)",1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Phenothiazine, 10-(2-(1-methyl-2-piperidyl)ethyl)-2-(methylthio)-, monohydrochloride",130-61-0,66062,10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine;hydrochloride,CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC.Cl,"InChI=1S/C21H26N2S2.ClH/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23;/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3;1H",NZFNXWQNBYZDAQ-UHFFFAOYSA-N,C21H27ClN2S2,407,406.1304189,,57.1,432,0,1,4,4,26,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
PYRIMETHAMINE,000058-14-0,4993,"5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine",CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl,"InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)",WKSAUQYGYAYLPV-UHFFFAOYSA-N,C12H13ClN4,248.71,248.0828741,2.7,77.8,243,0,2,4,2,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrimidine, 2,4-diamino-5-phenyl-",018588-49-3,134761,"5-phenylpyrimidine-2,4-diamine",C1=CC=C(C=C1)C2=CN=C(N=C2N)N,"InChI=1S/C10H10N4/c11-9-8(6-13-10(12)14-9)7-4-2-1-3-5-7/h1-6H,(H4,11,12,13,14)",FUVWRUJASRBHEK-UHFFFAOYSA-N,C10H10N4,186.21,186.0905463,1.3,77.8,179,0,2,4,1,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GLUTETHIMIDE,000077-21-4,3487,"3-ethyl-3-phenylpiperidine-2,6-dione",CCC1(CCC(=O)NC1=O)C2=CC=CC=C2,"InChI=1S/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-7H,2,8-9H2,1H3,(H,14,15,16)",JMBQKKAJIKAWKF-UHFFFAOYSA-N,C13H15NO2,217.26,217.1102787,1.9,46.2,294,0,1,2,2,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
AMINOGLUTETHIMIDE,000125-84-8,2145,"3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione",CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N,"InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)",ROBVIMPUHSLWNV-UHFFFAOYSA-N,C13H16N2O2,232.28,232.1211778,1.2,72.2,321,0,2,3,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Succinimide, N,2-dimethyl-2-phenyl-",000077-41-8,6476,"1,3-dimethyl-3-phenylpyrrolidine-2,5-dione",CC1(CC(=O)N(C1=O)C)C2=CC=CC=C2,"InChI=1S/C12H13NO2/c1-12(9-6-4-3-5-7-9)8-10(14)13(2)11(12)15/h3-7H,8H2,1-2H3",AJXPJJZHWIXJCJ-UHFFFAOYSA-N,C12H13NO2,203.24,203.0946287,1.2,37.4,294,0,0,2,1,15,,121-122 °C at 0.1 mm Hg,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PIPERIDINE, 4-(DIPHENYLMETHOXY)-1-METHYL-, HYDROCHLORIDE",000132-18-3,66063,4-benzhydryloxy-1-methylpiperidine;hydrochloride,CN1CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3.Cl,"InChI=1S/C19H23NO.ClH/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-19H,12-15H2,1H3;1H",LPRLDRXGWKXRMQ-UHFFFAOYSA-N,C19H24ClNO,317.9,317.1546421,,12.5,268,0,1,2,4,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperidine, 4-(diphenylmethoxy)-1-methyl-",147-20-6,3103,4-benzhydryloxy-1-methylpiperidine,CN1CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C19H23NO/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3",OWQUZNMMYNAXSL-UHFFFAOYSA-N,C19H23NO,281.4,281.1779644,3.9,12.5,268,0,0,2,4,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 2-[(1-NAPHTHALENYLAMINO)CARBONYL]-, MONOSODIUM SALT",000132-67-2,23690427,sodium 2-(naphthalen-1-ylcarbamoyl)benzoate,C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=CC=C3C(=O)[O-].[Na+],"InChI=1S/C18H13NO3.Na/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16;/h1-11H,(H,19,20)(H,21,22);/q;+1/p-1",CLHHSSXFXYAXDB-UHFFFAOYSA-M,C18H12NNaO3,313.3,313.0714875,,69.2,428,0,1,3,3,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
N-(1-NAPHTHYL)PHTHALAMIC ACID,000132-66-1,8594,2-(naphthalen-1-ylcarbamoyl)benzoic acid,C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=CC=C3C(=O)O,"InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)",JXTHEWSKYLZVJC-UHFFFAOYSA-N,C18H13NO3,291.3,291.0895433,3.5,66.4,423,0,2,3,3,22,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-IMIDAZOLIDINONE, 2-THIOXO-",000503-87-7,1274030,2-sulfanylideneimidazolidin-4-one,C1C(=O)NC(=S)N1,"InChI=1S/C3H4N2OS/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)",UGWULZWUXSCWPX-UHFFFAOYSA-N,C3H4N2OS,116.14,116.0044339,-1.1,73.2,122,0,2,2,0,7,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Imidazolidinone, 5-(2-methylpropyl)-3-(2-propenyl)-2-thioxo-",830-89-7,3032361,5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one,CC(C)CC1C(=O)N(C(=S)N1)CC=C,"InChI=1S/C10H16N2OS/c1-4-5-12-9(13)8(6-7(2)3)11-10(12)14/h4,7-8H,1,5-6H2,2-3H3,(H,11,14)",RATGSRSDPNECNO-UHFFFAOYSA-N,C10H16N2OS,212.31,212.0983343,2.1,64.4,263,0,1,2,4,14,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"1H-IMIDAZOLE, 4,5-DIHYDRO-2-(1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL)-, MONOHYDROCHL",000522-48-5,10648,"2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole;hydrochloride",C1CC(C2=CC=CC=C2C1)C3=NCCN3.Cl,"InChI=1S/C13H16N2.ClH/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13;/h1-2,4,6,12H,3,5,7-9H2,(H,14,15);1H",BJORNXNYWNIWEY-UHFFFAOYSA-N,C13H17ClN2,236.74,236.1080262,,24.4,259,0,2,1,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Imidazoline, 2-(1,2,3,4-tetrahydro-1-naphthyl)-",84-22-0,5419,"2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole",C1CC(C2=CC=CC=C2C1)C3=NCCN3,"InChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)",BYJAVTDNIXVSPW-UHFFFAOYSA-N,C13H16N2,200.28,200.1313485,1.8,24.4,259,0,1,1,1,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Bicyclo(3.1.1)heptan-3-one, 2,6,6-trimethyl-, (1R,2R,5S)-rel-",,84532,"(1S,2S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one",C[C@H]1[C@@H]2C[C@@H](C2(C)C)CC1=O,"InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m0/s1",MQPHVIPKLRXGDJ-RNJXMRFFSA-N,C10H16O,152.23,152.1201151,2.3,17.1,205,0,0,1,0,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BENZENEPROPANOIC ACID, .ALPHA.-(PHENYLMETHYL)-",000618-68-8,64800,2-benzyl-3-phenylpropanoic acid,C1=CC=C(C=C1)CC(CC2=CC=CC=C2)C(=O)O,"InChI=1S/C16H16O2/c17-16(18)15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,17,18)",RBLAOGBEJPHFHW-UHFFFAOYSA-N,C16H16O2,240.3,240.1150297,3.7,37.3,230,0,1,2,5,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIPHENYLPROPANE",001081-75-0,14125,3-phenylpropylbenzene,C1=CC=C(C=C1)CCCC2=CC=CC=C2,"InChI=1S/C15H16/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2",VEAFKIYNHVBNIP-UHFFFAOYSA-N,C15H16,196.29,196.1252005,3.4,0,131,0,0,0,4,15,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"QUINOLINE, DECAHYDRO-",002051-28-7,92911,"1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline",C1CCC2C(C1)CCCN2,"InChI=1S/C9H17N/c1-2-6-9-8(4-1)5-3-7-10-9/h8-10H,1-7H2",POTIYWUALSJREP-UHFFFAOYSA-N,C9H17N,139.24,139.1360995,2,12,111,0,1,1,0,10,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1,4-Diazepine, 1-(p-chloro-alpha-phenylbenzyl)hexahydro-4-methyl-, dihydrochloride",1982-36-1,656590,"1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane;dihydrochloride",CN1CCCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl,"InChI=1S/C19H23ClN2.2ClH/c1-21-12-5-13-22(15-14-21)19(16-6-3-2-4-7-16)17-8-10-18(20)11-9-17;;/h2-4,6-11,19H,5,12-15H2,1H3;2*1H",JLVFQWFTNVMTEG-UHFFFAOYSA-N,C19H25Cl3N2,387.8,386.108332,,6.5,321,0,2,2,3,24,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONAMIDE, 4-AMINO-N-(2,6-DIMETHOXY-4-PYRIMIDINYL)-, MONOSODIUM SALT",001037-50-9,13384041,"sodium (4-aminophenyl)sulfonyl-(2,6-dimethoxypyrimidin-4-yl)azanide",COC1=NC(=NC(=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)N)OC.[Na+],"InChI=1S/C12H13N4O4S.Na/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9;/h3-7H,13H2,1-2H3;/q-1;+1",DQDZQHMCPDUUPC-UHFFFAOYSA-N,C12H13N4NaO4S,332.31,332.0555204,,114,425,0,1,8,5,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Sulfanilamide, N(sup 1)-(6-methoxy-4-pyrimidinyl)-, sodium salt",38006-08-5,656643,sodium (4-aminophenyl)sulfonyl-(6-methoxypyrimidin-4-yl)azanide,COC1=NC=NC(=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)N.[Na+],"InChI=1S/C11H11N4O3S.Na/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9;/h2-7H,12H2,1H3;/q-1;+1",IZJAOWYNDLDRKM-UHFFFAOYSA-N,C11H11N4NaO3S,302.29,302.0449557,,105,382,0,1,7,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,1,0,1
"OXIRANEMETHANAMINE, N-(OXIRANYLMETHYL)-N-PHENYL-",002095-06-9,16412,"N,N-bis(oxiran-2-ylmethyl)aniline",C1C(O1)CN(CC2CO2)C3=CC=CC=C3,"InChI=1S/C12H15NO2/c1-2-4-10(5-3-1)13(6-11-8-14-11)7-12-9-15-12/h1-5,11-12H,6-9H2",JAYXSROKFZAHRQ-UHFFFAOYSA-N,C12H15NO2,205.25,205.1102787,1.4,28.3,202,0,0,3,5,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"OXIRANEMETHANAMINE, N-(2-METHYLPHENYL)-N-(OXIRANYLMETHYL)-",040027-50-7,99930,"2-methyl-N,N-bis(oxiran-2-ylmethyl)aniline",CC1=CC=CC=C1N(CC2CO2)CC3CO3,"InChI=1S/C13H17NO2/c1-10-4-2-3-5-13(10)14(6-11-8-15-11)7-12-9-16-12/h2-5,11-12H,6-9H2,1H3",OVEUFHOBGCSKSH-UHFFFAOYSA-N,C13H17NO2,219.28,219.1259288,1.8,28.3,232,0,0,3,5,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
CYLERT (PEMOLINE MAGNESIUM HYDROXIDE MIXTURE),018968-99-5,84048,"magnesium;2-amino-5-phenyl-1,3-oxazol-4-one;dihydroxide",C1=CC=C(C=C1)C2C(=O)N=C(O2)N.[OH-].[OH-].[Mg+2],"InChI=1S/C9H8N2O2.Mg.2H2O/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6;;;/h1-5,7H,(H2,10,11,12);;2*1H2/q;+2;;/p-2",JOPOQPCBCUIPFX-UHFFFAOYSA-L,C9H10MgN2O4,234.49,234.0490985,,66.7,247,0,3,4,1,16,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,5-PYRROLIDINEDIONE, 1-[2-[ETHYL(3-METHYLPHENYL)AMINO]ETHYL]-",002498-03-5,75624,"1-[2-(N-ethyl-3-methylanilino)ethyl]pyrrolidine-2,5-dione",CCN(CCN1C(=O)CCC1=O)C2=CC=CC(=C2)C,"InChI=1S/C15H20N2O2/c1-3-16(13-6-4-5-12(2)11-13)9-10-17-14(18)7-8-15(17)19/h4-6,11H,3,7-10H2,1-2H3",SNLLVPIXRHTWRC-UHFFFAOYSA-N,C15H20N2O2,260.33,260.1524779,1.7,40.6,327,0,0,3,5,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-Thiazolidinedione, 3-(2-aminoethyl)-, hydrochloride",19382-49-1,209166,"3-(2-aminoethyl)-1,3-thiazolidine-2,4-dione;hydrochloride",C1C(=O)N(C(=O)S1)CCN.Cl,"InChI=1S/C5H8N2O2S.ClH/c6-1-2-7-4(8)3-10-5(7)9;/h1-3,6H2;1H",XXSVYLLONFKJSO-UHFFFAOYSA-N,C5H9ClN2O2S,196.66,196.0073264,,88.7,171,0,2,4,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
6-BENZYLAMINOPURINE 9-(B-D-GLUCOSIDE),004294-17-1,11552796,"(2R,3R,4S,5S,6R)-2-[6-(benzylamino)purin-9-yl]-6-(hydroxymethyl)oxane-3,4,5-triol",C1=CC=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,"InChI=1S/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-12-16(20-8-21-17(12)23)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)/t11-,13-,14+,15-,18-/m1/s1",KRUUBWXADMDQSI-BWOYXGKQSA-N,C18H21N5O5,387.4,387.1542688,0.5,146,511,0,5,9,5,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIOXOLAN-2-ONE, 4-(CHLOROMETHYL)-",002463-45-8,17165,"4-chloro-1,3-dioxan-2-one",C1COC(=O)OC1Cl,"InChI=1S/C4H5ClO3/c5-3-1-2-7-4(6)8-3/h3H,1-2H2",HSONPEIWAFGLCA-UHFFFAOYSA-N,C4H5ClO3,136.53,135.9927217,1.4,35.5,103,0,0,3,0,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-DIOXAN-2-ONE, 5-METHYL-5-PROPYL-",007148-50-7,81571,"5-methyl-5-propyl-1,3-dioxan-2-one",CCCC1(COC(=O)OC1)C,"InChI=1S/C8H14O3/c1-3-4-8(2)5-10-7(9)11-6-8/h3-6H2,1-2H3",QPAWSFWKAUAJKW-UHFFFAOYSA-N,C8H14O3,158.19,158.0942943,2.4,35.5,143,0,0,3,2,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-PYRIDINECARBOXAMIDE, N-(PHENYLMETHYL)-",002503-55-1,98499,N-benzylpyridine-3-carboxamide,C1=CC=C(C=C1)CNC(=O)C2=CN=CC=C2,"InChI=1S/C13H12N2O/c16-13(12-7-4-8-14-10-12)15-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,15,16)",JIAOUYONZMRJJD-UHFFFAOYSA-N,C13H12N2O,212.25,212.094963,1.5,42,224,0,1,2,3,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Nicotinamide, N-benzyl-2-chloro-",65423-28-1,2794855,N-benzyl-2-chloropyridine-3-carboxamide,C1=CC=C(C=C1)CNC(=O)C2=C(N=CC=C2)Cl,"InChI=1S/C13H11ClN2O/c14-12-11(7-4-8-15-12)13(17)16-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)",XSXUVPQJEQBSSO-UHFFFAOYSA-N,C13H11ClN2O,246.69,246.0559907,2.6,42,254,0,1,2,3,17,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MEDAZEPAM,002898-12-6,4041,"7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine",CN1CCN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3,"InChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3",YLCXGBZIZBEVPZ-UHFFFAOYSA-N,C16H15ClN2,270.75,270.0923762,4.4,15.6,336,0,0,2,1,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1
"1,3,5-NAPHTHALENETRISULFONIC ACID, 7-[[4-[(4-AMINOPHENYL)AZO]PHENYL]AZO]-, TRI",068400-38-4,110174,"trisodium;7-[[4-[(4-aminophenyl)diazenyl]phenyl]diazenyl]naphthalene-1,3,5-trisulfonate",C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)N=NC3=CC4=C(C=C(C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-].[Na+].[Na+].[Na+],"InChI=1S/C22H17N5O9S3.3Na/c23-13-1-3-14(4-2-13)24-25-15-5-7-16(8-6-15)26-27-17-9-19-20(21(10-17)38(31,32)33)11-18(37(28,29)30)12-22(19)39(34,35)36;;;/h1-12H,23H2,(H,28,29,30)(H,31,32,33)(H,34,35,36);;;/q;3*+1/p-3",RERCKWQOVYFXFL-UHFFFAOYSA-K,C22H14N5Na3O9S3,657.5,656.9646734,,272,1190,0,1,14,4,42,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4,8,10-TETRAOXASPIRO[5.5]UNDECANE-3,9-DIPROPANENITRILE",003058-04-6,76465,"3-[3-(2-cyanoethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propanenitrile",C1C2(COC(O1)CCC#N)COC(OC2)CCC#N,"InChI=1S/C13H18N2O4/c14-5-1-3-11-16-7-13(8-17-11)9-18-12(19-10-13)4-2-6-15/h11-12H,1-4,7-10H2",BNAMIPLIODPZLE-UHFFFAOYSA-N,C13H18N2O4,266.29,266.1266571,-0.3,84.5,336,0,0,6,4,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,4,8,10-TETRAOXASPIRO[5.5]UNDECANE-3,9-DIPROPANAMINE",021587-74-6,88957,"3-[3-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine",C1C2(COC(O1)CCCN)COC(OC2)CCCN,"InChI=1S/C13H26N2O4/c14-5-1-3-11-16-7-13(8-17-11)9-18-12(19-10-13)4-2-6-15/h11-12H,1-10,14-15H2",ANOPCGQVRXJHHD-UHFFFAOYSA-N,C13H26N2O4,274.36,274.1892573,-0.8,89,220,0,2,6,6,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"STANNANE, CHLOROTRICYCLOHEXYL-",003091-32-5,76539,chloro(tricyclohexyl)stannane,C1CCC(CC1)[Sn](C2CCCCC2)(C3CCCCC3)Cl,"InChI=1S/3C6H11.ClH.Sn/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H;/q;;;;+1/p-1",OJVZYIKTLISAIH-UHFFFAOYSA-M,C18H33ClSn,403.6,404.129281,,0,240,0,0,0,3,20,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"STANNANE, BUTYLTRICYCLOHEXYL-",007067-44-9,81516,butyl(tricyclohexyl)stannane,CCCC[Sn](C1CCCCC1)(C2CCCCC2)C3CCCCC3,"InChI=1S/3C6H11.C4H9.Sn/c3*1-2-4-6-5-3-1;1-3-4-2;/h3*1H,2-6H2;1,3-4H2,2H3;",VLPGTXIBYJXPOB-UHFFFAOYSA-N,C22H42Sn,425.3,426.230854,,0,273,0,0,0,6,23,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, COMPD. WITH CYCLOHEXANAMINE (1:1)",003129-92-8,197016,benzoic acid;cyclohexanamine,C1CCC(CC1)N.C1=CC=C(C=C1)C(=O)O,"InChI=1S/C7H6O2.C6H13N/c8-7(9)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6/h1-5H,(H,8,9);6H,1-5,7H2",CIFYUXXXOJJPOL-UHFFFAOYSA-N,C13H19NO2,221.29,221.1415788,,63.3,150,0,2,3,1,16,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 4-DODECYL-, COMPD. WITH CYCLOHEXANAMINE (1:1)",014356-38-8,84383,cyclohexanamine;4-dodecylbenzenesulfonic acid,CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(CC1)N,"InChI=1S/C18H30O3S.C6H13N/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;7-6-4-2-1-3-5-6/h13-16H,2-12H2,1H3,(H,19,20,21);6H,1-5,7H2",BTDWVYHTRVOBJM-UHFFFAOYSA-N,C24H43NO3S,425.7,425.2963654,,88.8,397,0,2,4,12,29,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-Furanpropionic acid, tetrahydro-alpha-(1-naphthylmethyl)-, 2-(diethylamino)e",003200-06-4,312915,2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate;oxalic acid,CCN(CC)CCOC(=O)C(CC1CCCO1)CC2=CC=CC3=CC=CC=C32.C(=O)(C(=O)O)O,"InChI=1S/C24H33NO3.C2H2O4/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20;3-1(4)2(5)6/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3;(H,3,4)(H,5,6)",SSAJNPNVUYMUCI-UHFFFAOYSA-N,C26H35NO7,473.6,473.2413525,,113,536,0,2,8,12,34,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3H-PYRAZOL-3-ONE, 2,4-DIHYDRO-5-METHYL-2-PHENYL-4-[(PHENYLAMINO)METHYLENE]-",004173-73-3,107513,5-methyl-2-phenyl-4-(phenyliminomethyl)-1H-pyrazol-3-one,CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=NC3=CC=CC=C3,"InChI=1S/C17H15N3O/c1-13-16(12-18-14-8-4-2-5-9-14)17(21)20(19-13)15-10-6-3-7-11-15/h2-12,19H,1H3",XIOAQEDPIRQHPA-UHFFFAOYSA-N,C17H15N3O,277.32,277.1215121,3.4,44.7,443,0,1,3,3,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyrazolin-5-one, 4-(p-anisidinomethylene)-3-methyl-1-phenyl-",24664-49-1,212688,4-[(4-methoxyphenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one,CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=NC3=CC=C(C=C3)OC,"InChI=1S/C18H17N3O2/c1-13-17(12-19-14-8-10-16(23-2)11-9-14)18(22)21(20-13)15-6-4-3-5-7-15/h3-12,20H,1-2H3",HYKGPXPNWRJBPS-UHFFFAOYSA-N,C18H17N3O2,307.3,307.1320768,3.3,53.9,486,0,1,4,4,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIOXOLANE-4-METHANOL, 2-(PHENYLMETHYL)-",005694-72-4,21895,"(2-benzyl-1,3-dioxolan-4-yl)methanol",C1C(OC(O1)CC2=CC=CC=C2)CO,"InChI=1S/C11H14O3/c12-7-10-8-13-11(14-10)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2",ZPENOSKWEKGDCX-UHFFFAOYSA-N,C11H14O3,194.23,194.0942943,1.2,38.7,166,0,1,3,3,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-DIOXOLANE, 2-(PHENYLMETHYL)-",000101-49-5,7562,"2-benzyl-1,3-dioxolane",C1COC(O1)CC2=CC=CC=C2,"InChI=1S/C10H12O2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,10H,6-8H2",SSZACLYPEFCREM-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,1.8,18.5,124,0,0,2,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENANTHRENE, TETRADECAHYDRO-",005743-97-5,21971,"1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene",C1CCC2C(C1)CCC3C2CCCC3,"InChI=1S/C14H24/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h11-14H,1-10H2",GNMCGMFNBARSIY-UHFFFAOYSA-N,C14H24,192.34,192.1878008,6,0,174,0,0,0,0,14,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-PHENANTHRENEMETHANOL, TETRADECAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-",013393-93-6,114506,"[(1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]methanol",CC(C)C1CC[C@H]2C(C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)CO)C,"InChI=1S/C20H36O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h14-18,21H,5-13H2,1-4H3/t15?,16?,17-,18-,19-,20+/m0/s1",KBAYQFWFCOOCIC-GJTWTXHOSA-N,C20H36O,292.5,292.2766158,6.7,20.2,376,0,1,1,2,21,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,5-NAPHTHALENEDISULFONIC ACID, 3-[[4-[[1-HYDROXY-6-(PHENYLAMINO)-3-SULFO-2-NA",006227-20-9,80371,"trisodium;3-[[4-[(6-anilino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonate",CC1=CC(=C(C=C1N=NC2=CC3=C(C=CC=C3S(=O)(=O)[O-])C(=C2)S(=O)(=O)[O-])OC)N=NC4=C(C=C5C=C(C=CC5=C4O)NC6=CC=CC=C6)S(=O)(=O)[O-].[Na+].[Na+].[Na+],"InChI=1S/C34H27N5O11S3.3Na/c1-19-13-28(38-39-33-32(53(47,48)49)15-20-14-22(11-12-24(20)34(33)40)35-21-7-4-3-5-8-21)29(50-2)18-27(19)37-36-23-16-26-25(31(17-23)52(44,45)46)9-6-10-30(26)51(41,42)43;;;/h3-18,35,40H,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3",VRVDFJOCCWSFLI-UHFFFAOYSA-K,C34H24N5Na3O11S3,843.8,843.032753,,288,1600,0,2,16,7,56,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,1,0,0
"CUPRATE(3-), [3-[[5-HYDROXY-4-[[1-HYDROXY-6-(PHENYLAMINO)-3-SULFO-2-NAPHTHALEN",076359-37-0,136160640,"trisodium;3-[[4-[(6-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-5-hydroxy-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonic acid;copper",CC1=CC(=C(C=C1N=NC2=CC3=C(C=CC=C3S(=O)(=O)O)C(=C2)S(=O)(=O)O)O)N=NC4=C(C=C5C=C(C=CC5=C4O)NC6=CC=CC=C6)S(=O)(=O)O.[Na+].[Na+].[Na+].[Cu],"InChI=1S/C33H25N5O11S3.Cu.3Na/c1-18-12-27(28(39)17-26(18)36-35-22-15-25-24(30(16-22)51(44,45)46)8-5-9-29(25)50(41,42)43)37-38-32-31(52(47,48)49)14-19-13-21(10-11-23(19)33(32)40)34-20-6-3-2-4-7-20;;;;/h2-17,34,39-40H,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;;/q;;3*+1",BPGMZCACNZOAOV-UHFFFAOYSA-N,C33H25CuN5Na3O11S3+3,896.3,894.970175,,290,1630,3,6,16,2,56,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"4,7-EPOXY-1H-ISOINDOLE-1,3(2H)-DIONE, 3A,4,7,7A-TETRAHYDRO-",006253-28-7,96000,"3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione",C1=CC2C3C(C1O2)C(=O)NC3=O,"InChI=1S/C8H7NO3/c10-7-5-3-1-2-4(12-3)6(5)8(11)9-7/h1-6H,(H,9,10,11)",BSEKZMOBPPOFFB-UHFFFAOYSA-N,C8H7NO3,165.15,165.0425931,-1,55.4,281,0,1,3,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"EXO-N-HYDROXY-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXIMIDE",005596-17-8,316847,"2-hydroxy-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione",C1=CC2C3C(C1O2)C(=O)N(C3=O)O,"InChI=1S/C8H7NO4/c10-7-5-3-1-2-4(13-3)6(5)8(11)9(7)12/h1-6,12H",PPVGNPSAUJFBJY-UHFFFAOYSA-N,C8H7NO4,181.15,181.0375077,-1.3,66.8,307,0,1,4,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dihydroxy-, (3-a",006990-06-3,3000226,"(2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid",C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)O)C,"InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1",IECPWNUMDGFDKC-MZJAQBGESA-N,C31H48O6,516.7,516.3450893,5.5,104,994,0,3,6,6,37,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Fusidic acid, sodium salt",751-94-0,23672955,"sodium (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoate",C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\C(=O)[O-])OC(=O)C)C)O)C.[Na+],"InChI=1S/C31H48O6.Na/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32;/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36);/q;+1/p-1/b26-20-;/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-;/m0./s1",HJHVQCXHVMGZNC-JCJNLNMISA-M,C31H47NaO6,538.7,538.3270335,,107,1000,0,2,6,6,38,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"2-Pyrrolidinone, 1-ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-, monohydrochlorid",007081-53-0,64648,"1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one;hydrate;hydrochloride",CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4.O.Cl,"InChI=1S/C24H30N2O2.ClH.H2O/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21;;/h3-12,22H,2,13-19H2,1H3;1H;1H2",ZOMBFZRWMLIDPX-UHFFFAOYSA-N,C24H33ClN2O3,433,432.2179706,,33.8,487,0,2,4,6,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Pyrrolidinone, 1-ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-",000309-29-5,3156,"1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one",CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4,"InChI=1S/C24H30N2O2/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3",XFDJYSQDBULQSI-UHFFFAOYSA-N,C24H30N2O2,378.5,378.2307282,3.3,32.8,487,0,0,3,6,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3(9bH)-dibenzofuranone, 2,6-diacetyl-1,7,9-trihydroxy-8,9b-dimethyl-, D-",007562-61-0,478125,"(9bR)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzofuran-1-one",CC1=C(C(=C2C(=C1O)[C@@]3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C)O,"InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3/t18-/m0/s1",WEYVVCKOOFYHRW-SFHVURJKSA-N,C18H16O7,344.3,344.0896029,2.1,121,734,0,3,7,2,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3(2H,9bH)-Dibenzofurandione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-, (9bS)-",6159-66-6,442614,"(9bS)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzofuran-1-one",CC1=C(C(=C2C(=C1O)[C@]3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C)O,"InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3/t18-/m1/s1",WEYVVCKOOFYHRW-GOSISDBHSA-N,C18H16O7,344.3,344.0896029,2.1,121,734,0,3,7,2,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Tetrazole-5-thiol, 1-methyl-",013183-79-4,2723772,1-methyl-2H-tetrazole-5-thione,CN1C(=S)N=NN1,"InChI=1S/C2H4N4S/c1-6-2(7)3-4-5-6/h1H3,(H,3,5,7)",XOHZHMUQBFJTNH-UHFFFAOYSA-N,C2H4N4S,116.15,116.0156673,1.3,72.1,119,0,1,3,0,7,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TILETAMINE (CYCLOHEXANONE, 2-(ETHYLAMINO)-2-(2-THIENYL)-",014176-49-9,26533,2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one,CCNC1(CCCCC1=O)C2=CC=CS2,"InChI=1S/C12H17NOS/c1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14/h5,7,9,13H,2-4,6,8H2,1H3",QAXBVGVYDCAVLV-UHFFFAOYSA-N,C12H17NOS,223.34,223.1030853,2,57.3,244,0,1,3,3,15,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Leucomycin V, 3,4(sup B)-dipropanoate",035457-80-8,5282169,"[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-5-[(2S,4R,5S,6S)-4-hydroxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate",CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC)(C)O)N(C)C)O)CC=O)C)O)C,"InChI=1S/C41H67NO15/c1-11-30(45)54-29-21-32(47)51-24(4)16-14-13-15-17-28(44)23(3)20-27(18-19-43)37(38(29)50-10)57-40-35(48)34(42(8)9)36(25(5)53-40)56-33-22-41(7,49)39(26(6)52-33)55-31(46)12-2/h13-15,17,19,23-29,33-40,44,48-49H,11-12,16,18,20-22H2,1-10H3/b14-13+,17-15+/t23-,24-,25-,26+,27+,28+,29-,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1",DMUAPQTXSSNEDD-QALJCMCCSA-N,C41H67NO15,814,813.4510704,2.6,206,1360,0,3,16,14,57,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
5-PHENYL-1H-TETRAZOLE,018039-42-4,87425,5-phenyl-2H-tetrazole,C1=CC=C(C=C1)C2=NNN=N2,"InChI=1S/C7H6N4/c1-2-4-6(5-3-1)7-8-10-11-9-7/h1-5H,(H,8,9,10,11)",MARUHZGHZWCEQU-UHFFFAOYSA-N,C7H6N4,146.15,146.0592462,1.1,54.5,122,0,1,3,1,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Aniline, 3-(1H-tetrazol-5-yl)-",73732-51-1,100643,3-(2H-tetrazol-5-yl)aniline,C1=CC(=CC(=C1)N)C2=NNN=N2,"InChI=1S/C7H7N5/c8-6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,8H2,(H,9,10,11,12)",FLGISLVJQPPAMV-UHFFFAOYSA-N,C7H7N5,161.16,161.0701452,0.5,80.5,151,0,2,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinazoline, 4-amino-6,7-dimethoxy-2-(4-(2-furoyl)piperazin-1-yl)-",019216-56-9,4893,"[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone",COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC,"InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)",IENZQIKPVFGBNW-UHFFFAOYSA-N,C19H21N5O4,383.4,383.1593542,2,107,544,0,1,8,4,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinazoline, 4-amino-6,7-dimethoxy-2-(4-(2-furoyl)piperazin-1-yl)-, hydrochlor",019237-84-4,68546,"[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride",COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC.Cl,"InChI=1S/C19H21N5O4.ClH/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14;/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22);1H",WFXFYZULCQKPIP-UHFFFAOYSA-N,C19H22ClN5O4,419.9,419.1360319,,107,544,0,2,8,4,29,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,1
"s-Triazolo(4,3-a)pyridin-3(2H)-one, 2-(3-(4-(m-chlorophenyl)-1-piperazinyl)pro",025332-39-2,62935,"2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride",C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl.Cl,"InChI=1S/C19H22ClN5O.ClH/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25;/h1-3,5-7,9,15H,4,8,10-14H2;1H",OHHDIOKRWWOXMT-UHFFFAOYSA-N,C19H23Cl2N5O,408.3,407.1279658,,42.4,611,0,1,4,5,27,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-1,5-Benzodiazepine-2,4(3H,5H)-dione, 8-chloro-1-phenyl-",22316-55-8,89657,"7-chloro-5-phenyl-1H-1,5-benzodiazepine-2,4-dione",C1C(=O)NC2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3,"InChI=1S/C15H11ClN2O2/c16-10-6-7-12-13(8-10)18(11-4-2-1-3-5-11)15(20)9-14(19)17-12/h1-8H,9H2,(H,17,19)",RRTVVRIFVKKTJK-UHFFFAOYSA-N,C15H11ClN2O2,286.71,286.0509053,1.9,49.4,395,0,1,2,1,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1
"THIAZOLIUM, 4,5-DIHYDRO-2,3-DIMETHYL-, IODIDE",026934-29-2,117893,"2,3-dimethyl-4,5-dihydro-1,3-thiazol-3-ium iodide",CC1=[N+](CCS1)C.[I-],"InChI=1S/C5H10NS.HI/c1-5-6(2)3-4-7-5;/h3-4H2,1-2H3;1H/q+1;/p-1",APCZGLLBEWTYMV-UHFFFAOYSA-M,C5H10INS,243.11,242.95787,,28.3,107,0,0,2,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"THIAZOLIUM, 3-ETHYL-4,5-DIHYDRO-2-METHYL-, IODIDE",054654-71-6,108616,"3-ethyl-2-methyl-4,5-dihydro-1,3-thiazol-3-ium iodide",CC[N+]1=C(SCC1)C.[I-],"InChI=1S/C6H12NS.HI/c1-3-7-4-5-8-6(7)2;/h3-5H2,1-2H3;1H/q+1;/p-1",YURNHNOWSPDPEL-UHFFFAOYSA-M,C6H12INS,257.14,256.97352,,28.3,118,0,0,2,1,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperazine, 1-(bis(p-fluorophenyl)methyl)-4-cinnamyl-, dihydrochloride, (E)-",030484-77-6,5282407,1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride,C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl.Cl,"InChI=1S/C26H26F2N2.2ClH/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21;;/h1-15,26H,16-20H2;2*1H/b7-4+;;",RXKMOPXNWTYEHI-RDRKJGRWSA-N,C26H28Cl2F2N2,477.4,476.1597606,,6.5,487,0,2,4,6,32,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-",043121-43-3,39385,"1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one",CC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl,"InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3",WURBVZBTWMNKQT-UHFFFAOYSA-N,C14H16ClN3O2,293.75,293.0931045,2.8,57,338,0,0,4,5,20,162 °F /72 °C/,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Morpholine, 2-((2-ethoxyphenoxy)methyl)-",046817-91-8,5666,2-[(2-ethoxyphenoxy)methyl]morpholine,CCOC1=CC=CC=C1OCC2CNCCO2,"InChI=1S/C13H19NO3/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11/h3-6,11,14H,2,7-10H2,1H3",YWPHCCPCQOJSGZ-UHFFFAOYSA-N,C13H19NO3,237.29,237.1364935,1.5,39.7,213,0,1,4,5,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Morpholine, 2-((2-ethoxyphenoxy)methyl)-, hydrochloride",35604-67-2,71424,2-[(2-ethoxyphenoxy)methyl]morpholine;hydrochloride,CCOC1=CC=CC=C1OCC2CNCCO2.Cl,"InChI=1S/C13H19NO3.ClH/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11;/h3-6,11,14H,2,7-10H2,1H3;1H",HJOCKFVCMLCPTP-UHFFFAOYSA-N,C13H20ClNO3,273.75,273.1131712,,39.7,213,0,2,4,5,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneacetic acid, alpha-methyl-3-phenoxy-, calcium salt, dihydrate, (+-)-",053746-45-5,64747,calcium;bis(2-(3-phenoxyphenyl)propanoate);dihydrate,CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)[O-].CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)[O-].O.O.[Ca+2],"InChI=1S/2C15H14O3.Ca.2H2O/c2*1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13;;;/h2*2-11H,1H3,(H,16,17);;2*1H2/q;;+2;;/p-2",LZPBLUATTGKZBH-UHFFFAOYSA-L,C30H30CaO8,558.6,558.1566588,,101,265,0,2,8,6,39,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-DITHIANE-2,5-DIOL, 2,5-DIMETHYL-",055704-78-4,62105,"2,5-dimethyl-1,4-dithiane-2,5-diol",CC1(CSC(CS1)(C)O)O,"InChI=1S/C6H12O2S2/c1-5(7)3-10-6(2,8)4-9-5/h7-8H,3-4H2,1-2H3",NHKIYYMFGJBOTK-UHFFFAOYSA-N,C6H12O2S2,180.3,180.027872,0.6,91.1,126,0,2,4,0,10,,326.00 to 327.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-DITHIANE",000505-29-3,10452,"1,4-dithiane",C1CSCCS1,InChI=1S/C4H8S2/c1-2-6-4-3-5-1/h1-4H2,LOZWAPSEEHRYPG-UHFFFAOYSA-N,C4H8S2,120.2,120.0067426,1.3,50.6,26,0,0,2,0,6,,115.6 °C at 60 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propen-1-amine, 3-(4-bromophenyl)-N,N-dimethyl-3-(3-pyridinyl)-, dihydrochlo",060525-15-7,6436006,"(Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;dihydrochloride",CN(C)C/C=C(/C1=CC=C(C=C1)Br)\C2=CN=CC=C2.Cl.Cl,"InChI=1S/C16H17BrN2.2ClH/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13;;/h3-10,12H,11H2,1-2H3;2*1H/b16-9-;;",CXGURXWCQYHDIR-ULPVBNQHSA-N,C16H19BrCl2N2,390.1,388.01087,,16.1,293,0,2,2,4,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"OXIRANE, [[4-(1-METHYL-1-PHENYLETHYL)PHENOXY]METHYL]-",061578-04-9,62186,2-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]oxirane,CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC3CO3,"InChI=1S/C18H20O2/c1-18(2,14-6-4-3-5-7-14)15-8-10-16(11-9-15)19-12-17-13-20-17/h3-11,17H,12-13H2,1-2H3",MHTUIBIYJWEQKA-UHFFFAOYSA-N,C18H20O2,268.3,268.1463299,4.4,21.8,299,0,0,2,5,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-Propanediol, 3-(4-(1-methyl-1-(4-(oxiranylmethoxy)phenyl)ethyl)phenoxy)-",76002-91-0,150694,"3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol",CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC(CO)O,"InChI=1S/C21H26O5/c1-21(2,15-3-7-18(8-4-15)24-12-17(23)11-22)16-5-9-19(10-6-16)25-13-20-14-26-20/h3-10,17,20,22-23H,11-14H2,1-2H3",NBLIPZBCGXIEFO-UHFFFAOYSA-N,C21H26O5,358.4,358.1780239,3.1,71.5,411,0,2,5,9,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,0
"2-Propanol, 1-(4-(2-(cyclopropylmethoxy)ethyl)phenoxy)-3-((1-methylethyl)amino",063659-19-8,107952,1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride,CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O.Cl,"InChI=1S/C18H29NO3.ClH/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16;/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3;1H",CHDPSNLJFOQTRK-UHFFFAOYSA-N,C18H30ClNO3,343.9,343.1914215,,50.7,286,0,3,4,11,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2-Propanol, 1-(4-(2-(cyclopropylmethoxy)ethyl)phenoxy)-3-((1-methylethyl)amino)-",63659-18-7,2369,1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol,CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O,"InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3",NWIUTZDMDHAVTP-UHFFFAOYSA-N,C18H29NO3,307.4,307.2147438,2.8,50.7,286,0,2,4,11,22,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"2,1,3-Benzothiadiazol-4-amine, 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-, mon",064461-82-1,114869,"5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;hydrochloride",C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl.Cl,"InChI=1S/C9H8ClN5S.ClH/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9;/h1-2H,3-4H2,(H2,11,12,13);1H",ZWUKMNZJRDGCTQ-UHFFFAOYSA-N,C9H9Cl2N5S,290.17,288.9955719,,90.4,300,0,3,4,2,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-INDEN-AR-AMINE, 1-(4-AMINOPHENYL)-2,3-DIHYDRO-1,3,3-TRIMETHYL-",068170-20-7,3034840,"1-(4-amino-3-methylphenyl)-3,3-dimethyl-2H-inden-1-amine",CC1=C(C=CC(=C1)C2(CC(C3=CC=CC=C32)(C)C)N)N,"InChI=1S/C18H22N2/c1-12-10-13(8-9-16(12)19)18(20)11-17(2,3)14-6-4-5-7-15(14)18/h4-10H,11,19-20H2,1-3H3",CDPPNARRSRDJMF-UHFFFAOYSA-N,C18H22N2,266.4,266.1782987,3.2,52,364,0,2,2,1,20,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,1,3-TRIMETHYL-3-PHENYLINDAN",003910-35-8,19793,"1,1,3-trimethyl-3-phenyl-2H-indene",CC1(CC(C2=CC=CC=C21)(C)C3=CC=CC=C3)C,"InChI=1S/C18H20/c1-17(2)13-18(3,14-9-5-4-6-10-14)16-12-8-7-11-15(16)17/h4-12H,13H2,1-3H3",ICLPNZMYHDVKKI-UHFFFAOYSA-N,C18H20,236.4,236.1565006,5.6,0,297,0,0,0,1,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1H-IMIDAZOLE-1-PROPANOIC ACID, 2-HEPTYL-2,3-DIHYDRO-3-(2-HYDROXYETHYL)-, MONOS",068630-95-5,23668753,sodium 3-[2-heptyl-3-(2-hydroxyethyl)-2H-imidazol-1-yl]propanoate,CCCCCCCC1N(C=CN1CCO)CCC(=O)[O-].[Na+],"InChI=1S/C15H28N2O3.Na/c1-2-3-4-5-6-7-14-16(9-8-15(19)20)10-11-17(14)12-13-18;/h10-11,14,18H,2-9,12-13H2,1H3,(H,19,20);/q;+1/p-1",YIJNRGGQSJNTGE-UHFFFAOYSA-M,C15H27N2NaO3,306.38,306.191937,,66.8,313,0,1,5,11,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONAMIDE, 2-AMINO-N-CYCLOHEXYL-N-METHYL-",070693-59-3,116814,2-amino-N-cyclohexyl-N-methylbenzenesulfonamide,CN(C1CCCCC1)S(=O)(=O)C2=CC=CC=C2N,"InChI=1S/C13H20N2O2S/c1-15(11-7-3-2-4-8-11)18(16,17)13-10-6-5-9-12(13)14/h5-6,9-11H,2-4,7-8,14H2,1H3",IPEHSCPRVOWQFQ-UHFFFAOYSA-N,C13H20N2O2S,268.38,268.1245491,2.8,71.8,358,0,1,4,3,18,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-CYCLOHEXYL-P-TOLUENESULFONAMIDE,000080-30-8,6633,N-cyclohexyl-4-methylbenzenesulfonamide,CC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2,"InChI=1S/C13H19NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h7-10,12,14H,2-6H2,1H3",DKYVVNLWACXMDW-UHFFFAOYSA-N,C13H19NO2S,253.36,253.11365,3.1,54.6,320,0,1,3,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanone, 2-((4-(2,4-dichlorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl)oxy)-1-phen",071561-11-0,92383,"2-[4-(2,4-dichlorobenzoyl)-1,3-dimethylpyrazol-5-yl]oxy-1-phenylethanone",CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)Cl)Cl)OCC(=O)C3=CC=CC=C3)C,"InChI=1S/C20H16Cl2N2O3/c1-12-18(19(26)15-9-8-14(21)10-16(15)22)20(24(2)23-12)27-11-17(25)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3",FKERUJTUOYLBKB-UHFFFAOYSA-N,C20H16Cl2N2O3,403.3,402.0537978,3.7,61.2,541,0,0,4,6,27,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanone, 2-((4-(2,4-dichloro-3-methylbenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl)ox",082692-44-2,94686,"2-[4-(2,4-dichloro-3-methylbenzoyl)-1,3-dimethylpyrazol-5-yl]oxy-1-(4-methylphenyl)ethanone",CC1=CC=C(C=C1)C(=O)COC2=C(C(=NN2C)C)C(=O)C3=C(C(=C(C=C3)Cl)C)Cl,"InChI=1S/C22H20Cl2N2O3/c1-12-5-7-15(8-6-12)18(27)11-29-22-19(14(3)25-26(22)4)21(28)16-9-10-17(23)13(2)20(16)24/h5-10H,11H2,1-4H3",JDWQITFHZOBBFE-UHFFFAOYSA-N,C22H20Cl2N2O3,431.3,430.0850979,4.7,61.2,597,0,0,4,6,29,,,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANONE, 1-(3-HYDROXYPHENYL)-2-[METHYL(PHENYLMETHYL)AMINO]-, HYDROCHLORIDE",071786-67-9,172900,2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride,CN(CC1=CC=CC=C1)CC(=O)C2=CC(=CC=C2)O.Cl,"InChI=1S/C16H17NO2.ClH/c1-17(11-13-6-3-2-4-7-13)12-16(19)14-8-5-9-15(18)10-14;/h2-10,18H,11-12H2,1H3;1H",QGHUDAOMXLLADV-UHFFFAOYSA-N,C16H18ClNO2,291.77,291.1026065,,40.5,286,0,2,3,5,20,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Ethanone, 2-((1,1-dimethylethyl)(phenymethyl)amino)-1-(4-hydroxy-3-(hydroxymethyl)phenyl)-,hydrochloride",24085-08-3,154872,2-[benzyl(tert-butyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone;hydrochloride,CC(C)(C)N(CC1=CC=CC=C1)CC(=O)C2=CC(=C(C=C2)O)CO.Cl,"InChI=1S/C20H25NO3.ClH/c1-20(2,3)21(12-15-7-5-4-6-8-15)13-19(24)16-9-10-18(23)17(11-16)14-22;/h4-11,22-23H,12-14H2,1-3H3;1H",QXNITHCPVLQQEN-UHFFFAOYSA-N,C20H26ClNO3,363.9,363.1601214,,60.8,398,0,3,4,7,25,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,1,0,0,1,0,0
"1H-IMIDAZOLIUM, 2-[[4-(DIMETHYLAMINO)PHENYL]AZO]-1,3-DIMETHYL-, CHLORIDE",077061-58-6,166491,"4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline chloride",CN1C=C[N+](=C1N=NC2=CC=C(C=C2)N(C)C)C.[Cl-],"InChI=1S/C13H18N5.ClH/c1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;/h5-10H,1-4H3;1H/q+1;/p-1",NZDXSXLYLMHYJA-UHFFFAOYSA-M,C13H18ClN5,279.77,279.1250733,,36.8,273,0,0,4,3,19,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-Imidazolium, 2-((E)-2-(4-aminophenyl)azo)-1,3-dimethyl-, chloride",97404-02-9,9881454,"4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline chloride",CN1C=C[N+](=C1N=NC2=CC=C(C=C2)N)C.[Cl-],"InChI=1S/C11H13N5.ClH/c1-15-7-8-16(2)11(15)14-13-10-5-3-9(12)4-6-10;/h3-8,12H,1-2H3;1H",KEVCVWPVGPWWOI-UHFFFAOYSA-N,C11H14ClN5,251.71,251.0937732,,59.6,237,0,1,4,2,17,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-methyl-1H-azepi",079307-93-0,54360,4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one;hydrochloride,CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl.Cl,"InChI=1S/C22H24ClN3O.ClH/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16;/h2-3,6-11,18H,4-5,12-15H2,1H3;1H",YEJAJYAHJQIWNU-UHFFFAOYSA-N,C22H25Cl2N3O,418.4,417.1374678,,35.9,558,0,1,3,3,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-methyl-1H-azepin-4-yl)-",58581-89-8,2267,4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one,CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl,"InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3",MBUVEWMHONZEQD-UHFFFAOYSA-N,C22H24ClN3O,381.9,381.1607901,4.4,35.9,558,0,0,3,3,27,,,0,1,1,1,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0,1
C.I. BASIC BLUE 26,002580-56-5,17407,[4-[bis[4-(dimethylamino)phenyl]methylidene]naphthalen-1-ylidene]-phenylazanium chloride,CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[NH+]C3=CC=CC=C3)C4=CC=CC=C24)C5=CC=C(C=C5)N(C)C.[Cl-],"InChI=1S/C33H31N3.ClH/c1-35(2)27-18-14-24(15-19-27)33(25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26;/h5-23H,1-4H3;1H",LLWJPGAKXJBKKA-UHFFFAOYSA-N,C33H32ClN3,506.1,505.2284757,,20.5,769,0,1,3,5,37,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"1H-Imidazole-1-acetonitrile, alpha-(4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene",101530-10-3,3002820,"(2E)-2-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-ylacetonitrile",C1C(S/C(=C(\C#N)/N2C=CN=C2)/S1)C3=CC=CC=C3Cl,"InChI=1S/C14H10ClN3S2/c15-11-4-2-1-3-10(11)13-8-19-14(20-13)12(7-16)18-6-5-17-9-18/h1-6,9,13H,8H2/b14-12+",ZRTQSJFIDWNVJW-WYMLVPIESA-N,C14H10ClN3S2,319.8,319.0004674,3.3,92.2,445,0,0,4,2,20,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-, monohydrochloride",105628-07-7,163751,"5-(1,4-diazepan-1-ylsulfonyl)isoquinoline;hydrochloride",C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl,"InChI=1S/C14H17N3O2S.ClH/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14;/h1,3-5,7,11,15H,2,6,8-10H2;1H",LFVPBERIVUNMGV-UHFFFAOYSA-N,C14H18ClN3O2S,327.8,327.0808257,,70.7,421,0,2,5,2,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-",103745-39-7,3547,"5-(1,4-diazepan-1-ylsulfonyl)isoquinoline",C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3,"InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2",NGOGFTYYXHNFQH-UHFFFAOYSA-N,C14H17N3O2S,291.37,291.104148,1,70.7,421,0,1,5,2,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OXAZOLIDINE, 3-(DICHLOROACETYL)-5-(2-FURANYL)-2,2-DIMETHYL-, (R)-",121776-57-6,21116193,"2,2-dichloro-1-[(5R)-5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone",CC1(N(C[C@@H](O1)C2=CC=CO2)C(=O)C(Cl)Cl)C,"InChI=1S/C11H13Cl2NO3/c1-11(2)14(10(15)9(12)13)6-8(17-11)7-4-3-5-16-7/h3-5,8-9H,6H2,1-2H3/t8-/m1/s1",MCNOFYBITGAAGM-MRVPVSSYSA-N,C11H13Cl2NO3,278.13,277.0272487,2,42.7,309,0,0,3,2,17,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Oxazolidine, 3-(dichloroacetyl)-5-(2-furanyl)-2,2-dimethyl-",121776-33-8,86187,"2,2-dichloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone",CC1(N(CC(O1)C2=CC=CO2)C(=O)C(Cl)Cl)C,"InChI=1S/C11H13Cl2NO3/c1-11(2)14(10(15)9(12)13)6-8(17-11)7-4-3-5-16-7/h3-5,8-9H,6H2,1-2H3",MCNOFYBITGAAGM-UHFFFAOYSA-N,C11H13Cl2NO3,278.13,277.0272487,2,42.7,309,0,0,3,2,17,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 2,3-dihydro-10-(1-amino",127045-41-4,65957,"(2S)-6-(1-aminocyclopropyl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid",C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2C4(CC4)N)F)C(=O)O,"InChI=1S/C16H15FN2O4/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8-12(14)19(7)5-9(13(8)20)15(21)22/h4-5,7H,2-3,6,18H2,1H3,(H,21,22)/t7-/m0/s1",XAGMUUZPGZWTRP-ZETCQYMHSA-N,C16H15FN2O4,318.3,318.1015851,-0.8,92.9,603,0,2,7,2,23,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 2,3-dihydro-10-(1-aminocyclopropyl)-9-fluoro-3-methyl-7-oxo-, (S)-, monomethanesulfonate",163680-77-1,6918232,"(2S)-6-(1-aminocyclopropyl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;methanesulfonic acid",C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2C4(CC4)N)F)C(=O)O.CS(=O)(=O)O,"InChI=1S/C16H15FN2O4.CH4O3S/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8-12(14)19(7)5-9(13(8)20)15(21)22;1-5(2,3)4/h4-5,7H,2-3,6,18H2,1H3,(H,21,22);1H3,(H,2,3,4)/t7-;/m0./s1",UDHGFPATQWQARM-FJXQXJEOSA-N,C17H19FN2O7S,414.4,414.0897003,,156,695,0,3,10,2,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-Thieno(2,3-b)thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide, (4S,6S)-",120279-96-1,5284549,"(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide",CCN[C@H]1C[C@@H](S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C,"InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1",IAVUPMFITXYVAF-XPUUQOCRSA-N,C10H16N2O4S3,324.4,324.0272205,0.4,151,534,0,2,7,3,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-Thieno(2,3-b)thiopyran-2-sulfonamide, 5,6-dihydro-4-(ethylamino)-6-methyl-,",130693-82-2,6918132,"(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride",CCN[C@H]1C[C@@H](S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C.Cl,"InChI=1S/C10H16N2O4S3.ClH/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16;/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16);1H/t6-,8-;/m0./s1",OSRUSFPMRGDLAG-QMGYSKNISA-N,C10H17ClN2O4S3,360.9,360.0038982,,151,534,0,3,7,3,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
N-HYDROXYSUCCINIMIDE SUBERIC ACID ESTER,068528-80-3,100658,"bis(2,5-dioxopyrrolidin-1-yl) octanedioate",C1CC(=O)N(C1=O)OC(=O)CCCCCCC(=O)ON2C(=O)CCC2=O,InChI=1S/C16H20N2O8/c19-11-7-8-12(20)17(11)25-15(23)5-3-1-2-4-6-16(24)26-18-13(21)9-10-14(18)22/h1-10H2,ZWIBGKZDAWNIFC-UHFFFAOYSA-N,C16H20N2O8,368.34,368.1219656,-0.1,127,544,0,0,8,11,26,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BIS(SULFOSUCCINIMIDYL) SUBERATE,082436-77-9,123854,"1-[8-(2,5-dioxo-3-sulfopyrrolidin-1-yl)oxy-8-oxooctanoyl]oxy-2,5-dioxopyrrolidine-3-sulfonic acid",C1C(C(=O)N(C1=O)OC(=O)CCCCCCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)O)S(=O)(=O)O,"InChI=1S/C16H20N2O14S2/c19-11-7-9(33(25,26)27)15(23)17(11)31-13(21)5-3-1-2-4-6-14(22)32-18-12(20)8-10(16(18)24)34(28,29)30/h9-10H,1-8H2,(H,25,26,27)(H,28,29,30)",VYLDEYYOISNGST-UHFFFAOYSA-N,C16H20N2O14S2,528.5,528.0355957,-1,253,1010,0,2,14,13,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CIBACRON BLUE 3G-A (DYE),084166-13-2,172469,"1-amino-4-[4-[[4-chloro-6-(2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6S(=O)(=O)O)Cl)S(=O)(=O)O)S(=O)(=O)O)N,"InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)",YKCWQPZFAFZLBI-UHFFFAOYSA-N,C29H20ClN7O11S3,774.2,773.0071457,4.9,323,1640,0,7,18,9,51,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-ANTHRACENESULFONIC ACID, 1-AMINO-4-[[4-[[4-CHLORO-6-[[3(OR 4)-SULFOPHENYL]AM",029225-66-9,172468,"trisodium;1-amino-4-[4-[[4-chloro-6-(2-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+].[Na+],"InChI=1S/C29H20ClN7O11S3.3Na/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39;;;/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37);;;/q;3*+1/p-3",KIRKGWILHWJIMS-UHFFFAOYSA-K,C29H17ClN7Na3O11S3,840.1,838.9529784,,332,1600,0,4,18,6,54,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CYCLOBARBITAL,000052-31-3,5838,"5-(cyclohexen-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione",CCC1(C(=O)NC(=O)NC1=O)C2=CCCCC2,"InChI=1S/C12H16N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h6H,2-5,7H2,1H3,(H2,13,14,15,16,17)",WTYGAUXICFETTC-UHFFFAOYSA-N,C12H16N2O3,236.27,236.1160924,1.8,75.3,392,0,2,3,2,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Barbituric acid, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-",56-29-1,3608,"5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione",CC1(C(=O)NC(=O)N(C1=O)C)C2=CCCCC2,"InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)",UYXAWHWODHRRMR-UHFFFAOYSA-N,C12H16N2O3,236.27,236.1160924,1.5,66.5,427,0,1,3,1,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ZOLAZEPAM HYDROCHLORIDE,033754-49-3,71416,"4-(2-fluorophenyl)-1,3,8-trimethyl-6H-pyrazolo[5,4-e][1,4]diazepin-7-one;hydrochloride",CC1=NN(C2=C1C(=NCC(=O)N2C)C3=CC=CC=C3F)C.Cl,"InChI=1S/C15H15FN4O.ClH/c1-9-13-14(10-6-4-5-7-11(10)16)17-8-12(21)19(2)15(13)20(3)18-9;/h4-7H,8H2,1-3H3;1H",NJERAXSSDSHLGE-UHFFFAOYSA-N,C15H16ClFN4O,322.76,322.099667,,50.5,455,0,1,4,1,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ZOLAZEPAM,031352-82-6,35775,"4-(2-fluorophenyl)-1,3,8-trimethyl-6H-pyrazolo[5,4-e][1,4]diazepin-7-one",CC1=NN(C2=C1C(=NCC(=O)N2C)C3=CC=CC=C3F)C,"InChI=1S/C15H15FN4O/c1-9-13-14(10-6-4-5-7-11(10)16)17-8-12(21)19(2)15(13)20(3)18-9/h4-7H,8H2,1-3H3",GDSCFOSHSOWNDL-UHFFFAOYSA-N,C15H15FN4O,286.3,286.1229893,1.7,50.5,455,0,0,4,1,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"[1-(5-FLUOROPENTYL)-1H-INDOL-3-YL](2,2,3,3-TETRAMETHYLCYCLOPROPYL)METHANONE",1364933-54-9,57501498,"[1-(5-fluoropentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone",CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CCCCCF)C,"InChI=1S/C21H28FNO/c1-20(2)19(21(20,3)4)18(24)16-14-23(13-9-5-8-12-22)17-11-7-6-10-15(16)17/h6-7,10-11,14,19H,5,8-9,12-13H2,1-4H3",PXLDPUUMIHVLEC-UHFFFAOYSA-N,C21H28FNO,329.5,329.2154927,5.2,22,458,0,0,2,7,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
PIOGLITAZONE,111025-46-8,4829,"5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione",CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3,"InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)",HYAFETHFCAUJAY-UHFFFAOYSA-N,C19H20N2O3S,356.4,356.1194637,3.8,93.6,466,0,1,5,7,25,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PIOGLITAZONE HYDROCHLORIDE,112529-15-4,60560,"5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride",CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3.Cl,"InChI=1S/C19H20N2O3S.ClH/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17;/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23);1H",GHUUBYQTCDQWRA-UHFFFAOYSA-N,C19H21ClN2O3S,392.9,392.0961414,,93.6,466,0,2,5,7,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
META-TOPOLIN,075737-38-1,11557770,3-[(7H-purin-6-ylamino)methyl]phenol,C1=CC(=CC(=C1)O)CNC2=NC=NC3=C2NC=N3,"InChI=1S/C12H11N5O/c18-9-3-1-2-8(4-9)5-13-11-10-12(15-6-14-10)17-7-16-11/h1-4,6-7,18H,5H2,(H2,13,14,15,16,17)",BUDWTFCZGZYQHZ-UHFFFAOYSA-N,C12H11N5O,241.25,241.09636,1.6,86.7,277,0,3,5,3,18,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2(3H)-FURANONE, DIHYDRO-, POLYMER WITH N-(2-AMINOETHYL)-1,2-ETHANEDIAMINE AND",107175-83-7,140765,3H-furan-2-one,C1C=COC1=O,"InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1,3H,2H2",RHDGNLCLDBVESU-UHFFFAOYSA-N,C4H4O2,84.07,84.02112937,0.2,26.3,93,0,0,2,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(3H)-FURANONE, 5-METHYL-",000591-12-8,11559,5-methyl-3H-furan-2-one,CC1=CCC(=O)O1,"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3",QOTQFLOTGBBMEX-UHFFFAOYSA-N,C5H6O2,98.1,98.03677943,0.6,26.3,124,0,0,2,0,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"ETHANONE, 1-(4-CHLOROPHENYL)-2,2,2-TRIFLUORO-, O-(1,3-DIOXOLAN-2-YLMETHYL)OXIM",088485-37-4,91747,"1-(4-chlorophenyl)-N-(1,3-dioxolan-2-ylmethoxy)-2,2,2-trifluoroethanimine",C1COC(O1)CON=C(C2=CC=C(C=C2)Cl)C(F)(F)F,"InChI=1S/C12H11ClF3NO3/c13-9-3-1-8(2-4-9)11(12(14,15)16)17-20-7-10-18-5-6-19-10/h1-4,10H,5-7H2",UKSLKNUCVPZQCQ-UHFFFAOYSA-N,C12H11ClF3NO3,309.67,309.0379554,3.9,40.1,337,0,0,7,4,20,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEACETONITRILE, .ALPHA.-[(1,3-DIOXOLAN-2-YLMETHOXY)IMINO]-",074782-23-3,9576081,"(Z)-N-(1,3-dioxolan-2-ylmethoxy)benzenecarboximidoyl cyanide",C1COC(O1)CO/N=C(\C#N)/C2=CC=CC=C2,"InChI=1S/C12H12N2O3/c13-8-11(10-4-2-1-3-5-10)14-17-9-12-15-6-7-16-12/h1-5,12H,6-7,9H2/b14-11+",WFVUIONFJOAYPK-SDNWHVSQSA-N,C12H12N2O3,232.23,232.0847923,1.7,63.8,309,0,0,5,4,17,,,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
Y-27632 DIHYDROCHLORIDE,129830-38-2,9901617,4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride,C[C@H](C1CCC(CC1)C(=O)NC2=CC=NC=C2)N.Cl.Cl,"InChI=1S/C14H21N3O.2ClH/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13;;/h6-12H,2-5,15H2,1H3,(H,16,17,18);2*1H/t10-,11?,12?;;/m1../s1",IDDDVXIUIXWAGJ-DDSAHXNVSA-N,C14H23Cl2N3O,320.3,319.1218178,,68,268,0,4,3,3,20,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANEDIOIC ACID, BIS[3,4,6-TRICHLORO-2-[(PENTYLOXY)CARBONYL]PHENYL] ESTER",030431-54-0,93137,"bis(3,4,6-trichloro-2-pentoxycarbonylphenyl) oxalate",CCCCCOC(=O)C1=C(C(=CC(=C1Cl)Cl)Cl)OC(=O)C(=O)OC2=C(C(=C(C=C2Cl)Cl)Cl)C(=O)OCCCCC,"InChI=1S/C26H24Cl6O8/c1-3-5-7-9-37-23(33)17-19(31)13(27)11-15(29)21(17)39-25(35)26(36)40-22-16(30)12-14(28)20(32)18(22)24(34)38-10-8-6-4-2/h11-12H,3-10H2,1-2H3",TZZLVFUOAYMTHA-UHFFFAOYSA-N,C26H24Cl6O8,677.2,675.957284,10.6,105,795,0,0,8,17,40,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2H-AZEPIN-2-ONE, HEXAHYDRO-, SODIUM SALT",002123-24-2,10964565,sodium azanidacycloheptan-2-one,C1CCC(=O)[N-]CC1.[Na+],"InChI=1S/C6H11NO.Na/c8-6-4-2-1-3-5-7-6;/h1-5H2,(H,7,8);/q;+1/p-1",MOMGDEWWZBKDDR-UHFFFAOYSA-M,C6H10NNaO,135.14,135.0660082,,18.1,95,0,0,2,0,9,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"MAGNESIUM, BROMO(HEXAHYDRO-2H-AZEPIN-2-ONATO-N)-",017091-31-5,86947,magnesium;azanidacycloheptan-2-one;bromide,C1CCC(=O)[N-]CC1.[Mg+2].[Br-],"InChI=1S/C6H11NO.BrH.Mg/c8-6-4-2-1-3-5-7-6;;/h1-5H2,(H,7,8);1H;/q;;+2/p-2",BOQJOCGCWDUQOA-UHFFFAOYSA-L,C6H10BrMgNO,216.36,214.97962,,18.1,99,0,0,3,0,10,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
diphenyl[4-(phenylthio)phenyl]-Sulfonium chloride,080468-75-3,44147178,diphenyl-(4-phenylsulfanylphenyl)sulfanium chloride,C1=CC=C(C=C1)SC2=CC=C(C=C2)[S+](C3=CC=CC=C3)C4=CC=CC=C4.[Cl-],InChI=1S/C24H19S2.ClH/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;/h1-19H;1H/q+1;/p-1,HUDDJECNGKLELJ-UHFFFAOYSA-M,C24H19ClS2,407,406.0616706,,26.3,365,0,0,2,5,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIPHENYL[4-(PHENYLTHIO)PHENYL]SULFONIUM (OC-6-11)-HEXAFLUOROANTIMONATE(1-),071449-78-0,16688304,diphenyl-(4-phenylsulfanylphenyl)sulfanium;hexafluoroantimony(1-),C1=CC=C(C=C1)SC2=CC=C(C=C2)[S+](C3=CC=CC=C3)C4=CC=CC=C4.F[Sb-](F)(F)(F)(F)F,InChI=1S/C24H19S2.6FH.Sb/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;;;;;;;/h1-19H;6*1H;/q+1;;;;;;;+5/p-6,SQPBZCDQRJYQKD-UHFFFAOYSA-H,C24H19F6S2Sb,607.3,605.98705,,26.3,428,0,0,8,5,33,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
(R)-(+)-PULEGONE,000089-82-7,442495,(5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one,C[C@@H]1CCC(=C(C)C)C(=O)C1,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1",NZGWDASTMWDZIW-MRVPVSSYSA-N,C10H16O,152.23,152.1201151,2.8,17.1,197,0,0,1,0,11,,224 °C,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANONE, 5-METHYL-2-(1-METHYLETHYLIDENE)-",015932-80-6,6988,5-methyl-2-propan-2-ylidenecyclohexan-1-one,CC1CCC(=C(C)C)C(=O)C1,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3",NZGWDASTMWDZIW-UHFFFAOYSA-N,C10H16O,152.23,152.1201151,2.8,17.1,197,0,0,1,0,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MIREX,002385-85-5,16945,"1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.02,6.03,9.04,8]decane",C12(C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl,"InChI=1S/C10Cl12/c11-1-2(12)7(17)4(14)3(13,5(1,15)9(7,19)20)6(1,16)10(21,22)8(2,4)18",GVYLCNUFSHDAAW-UHFFFAOYSA-N,C10Cl12,545.5,545.617382,5.3,0,567,0,0,0,0,22,,"905 °F at 1 mmHg (Sublimes with decomposition) (NTP, 1992)",1,1,0,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"1,3,4-Metheno-1H-cyclobuta(c,d)-pentalene-2-levulinic acid, 1,1a,3,3a,4,5,5a,5b,6-decachlorooctahydro-2-hydroxy-, ethyl ester",4234-79-1,20226,"ethyl 5-(1,2,3,4,6,7,8,9,10,10-decachloro-5-hydroxy-5-pentacyclo[5.3.0.02,6.03,9.04,8]decanyl)-4-oxopentanoate",CCOC(=O)CCC(=O)CC1(C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)O,"InChI=1S/C17H12Cl10O4/c1-2-31-7(29)4-3-6(28)5-8(30)9(18)11(20)13(22)10(8,19)14(23)12(9,21)15(11,24)17(26,27)16(13,14)25/h30H,2-5H2,1H3",POSKOXIJDWDKPH-UHFFFAOYSA-N,C17H12Cl10O4,634.8,633.756186,3.6,63.6,900,0,1,4,7,31,,,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrrolidine, 1-(2-(p-(3,4-dihydro-6-methoxy-2-phenyl-1-naphthyl)phenoxy)ethyl)",001847-63-8,15805,"1-[2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;hydrochloride",COC1=CC2=C(C=C1)C(=C(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCCC5.Cl,"InChI=1S/C29H31NO2.ClH/c1-31-26-14-16-28-24(21-26)11-15-27(22-7-3-2-4-8-22)29(28)23-9-12-25(13-10-23)32-20-19-30-17-5-6-18-30;/h2-4,7-10,12-14,16,21H,5-6,11,15,17-20H2,1H3;1H",HJOOGTROABIIIU-UHFFFAOYSA-N,C29H32ClNO2,462,461.212157,,21.7,611,0,1,3,7,33,,,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrrolidine, 1-(2-(p-(3,4-dihydro-6-methoxy-2-phenyl-1-naphthyl)phenoxy)ethyl)",001845-11-0,4416,"1-[2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine",COC1=CC2=C(C=C1)C(=C(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCCC5,"InChI=1S/C29H31NO2/c1-31-26-14-16-28-24(21-26)11-15-27(22-7-3-2-4-8-22)29(28)23-9-12-25(13-10-23)32-20-19-30-17-5-6-18-30/h2-4,7-10,12-14,16,21H,5-6,11,15,17-20H2,1H3",JEYWNNAZDLFBFF-UHFFFAOYSA-N,C29H31NO2,425.6,425.2354792,5.8,21.7,611,0,0,3,7,32,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
VINYL CYCLOHEXENE DIOXIDE,000106-87-6,7833,3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane,C1CC2C(O2)CC1C3CO3,"InChI=1S/C8H12O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h5-8H,1-4H2",OECTYKWYRCHAKR-UHFFFAOYSA-N,C8H12O2,140.18,140.0837296,0.8,25.1,157,0,0,2,1,10,"230 °F (NTP, 1992)","441 °F at 760 mmHg (NTP, 1992)",0,0,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0
"7-OXABICYCLO[4.1.0]HEPTANE, 1-METHYL-4-(2-METHYLOXIRANYL)-",000096-08-2,232703,1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane,CC12CCC(CC1O2)C3(CO3)C,"InChI=1S/C10H16O2/c1-9-4-3-7(5-8(9)12-9)10(2)6-11-10/h7-8H,3-6H2,1-2H3",RBHIUNHSNSQJNG-UHFFFAOYSA-N,C10H16O2,168.23,168.1150297,1.1,25.1,228,0,0,2,1,12,118 °C,242 °C,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
CAMPHORQUINONE-10-SULFONIC ACID,073413-79-3,189789,"[(1S,4S)-7,7-dimethyl-2,3-dioxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid",CC1([C@@H]2CC[C@]1(C(=O)C2=O)CS(=O)(=O)O)C,"InChI=1S/C10H14O5S/c1-9(2)6-3-4-10(9,5-16(13,14)15)8(12)7(6)11/h6H,3-5H2,1-2H3,(H,13,14,15)/t6-,10-/m1/s1",VQHWAOZYKVGMQX-LHLIQPBNSA-N,C10H14O5S,246.28,246.0561947,-0.1,96.9,470,0,1,5,2,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
RESIN MATRIX: ALIPHATIC SECONDARY NAPTHALENE AMINE I AND/OR,006364-17-6,72628,"2,2-dimethyl-1,3-dihydroperimidine",CC1(NC2=CC=CC3=C2C(=CC=C3)N1)C,"InChI=1S/C13H14N2/c1-13(2)14-10-7-3-5-9-6-4-8-11(15-13)12(9)10/h3-8,14-15H,1-2H3",DETLTZYXZWIXIB-UHFFFAOYSA-N,C13H14N2,198.26,198.1156985,3.6,24.1,227,0,2,2,0,15,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
"2-ETHYL-2,3-DIHYDRO-2-METHYL-1H-PERIMIDINE",043057-68-7,170728,"2-ethyl-2-methyl-1,3-dihydroperimidine",CCC1(NC2=CC=CC3=C2C(=CC=C3)N1)C,"InChI=1S/C14H16N2/c1-3-14(2)15-11-8-4-6-10-7-5-9-12(16-14)13(10)11/h4-9,15-16H,3H2,1-2H3",QOYINWMUFFDLBI-UHFFFAOYSA-N,C14H16N2,212.29,212.1313485,4.2,24.1,243,0,2,2,1,16,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"6H-1,3,2-OXATHIASTANNIN-6-ONE, 2,2-DIBUTYLDIHYDRO-",000078-06-8,16682766,"2,2-dibutyl-1,3,2-oxathiastanninan-6-one",CCCC[Sn]1(OC(=O)CCS1)CCCC,"InChI=1S/2C4H9.C3H6O2S.Sn/c2*1-3-4-2;4-3(5)1-2-6;/h2*1,3-4H2,2H3;6H,1-2H2,(H,4,5);/q;;;+2/p-2",IRIAEMUUDSWZOX-UHFFFAOYSA-L,C11H22O2SSn,337.07,338.036254,,51.6,201,0,0,3,6,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
BISAZOBIPHENYL DYE,002429-82-5,17067,disodium;5-[[4-[4-[(7-amino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate,C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C=C4C=CC(=CC4=C3O)N)S(=O)(=O)[O-])N=NC5=CC(=C(C=C5)O)C(=O)[O-].[Na+].[Na+],"InChI=1S/C29H21N5O7S.2Na/c30-19-6-1-18-13-26(42(39,40)41)27(28(36)23(18)14-19)34-32-21-9-4-17(5-10-21)16-2-7-20(8-3-16)31-33-22-11-12-25(35)24(15-22)29(37)38;;/h1-15,35-36H,30H2,(H,37,38)(H,39,40,41);;/q;2*+1/p-2",CXAVOCVLMJULES-UHFFFAOYSA-L,C29H19N5Na2O7S,627.5,627.0800577,,222,1070,0,3,12,5,44,,,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
C.I. DIRECT RED 53,006375-58-2,136632976,disodium;7-amino-4-hydroxy-3-[[4-[4-[(4-hydroxy-2-sulfonatophenyl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2-sulfonate,C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3O)N)S(=O)(=O)[O-])N=NC5=C(C=C(C=C5)O)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C28H21N5O8S2.2Na/c29-19-5-11-23-18(13-19)14-26(43(39,40)41)27(28(23)35)33-31-21-8-3-17(4-9-21)16-1-6-20(7-2-16)30-32-24-12-10-22(34)15-25(24)42(36,37)38;;/h1-15,34-35H,29H2,(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2",WEHPNLIHBLATKZ-UHFFFAOYSA-L,C28H19N5Na2O8S2,663.6,663.0470435,,247,1180,0,3,13,5,45,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAMETHRIN,007696-12-0,83975,"(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate",CC(=CC1C(C1(C)C)C(=O)OCN2C(=O)C3=C(C2=O)CCCC3)C,"InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3",CXBMCYHAMVGWJQ-UHFFFAOYSA-N,C19H25NO4,331.4,331.1783583,4.7,63.7,639,0,0,4,5,24,,180-190 °C at 0.1 mm Hg,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1
"Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with N-(hydroxymethyl)-1-cyclohexene-1,2-dicarboximide, (+)-(E)-",1166-46-7,24365,"cis-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate",CC(=C[C@@H]1[C@H](C1(C)C)C(=O)OCN2C(=O)C3=C(C2=O)CCCC3)C,"InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3/t14-,15+/m1/s1",CXBMCYHAMVGWJQ-CABCVRRESA-N,C19H25NO4,331.4,331.1783583,4.7,63.7,639,0,0,4,5,24,,,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1
DIPHENYL CARBONATE,000102-09-0,7597,diphenyl carbonate,C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2,InChI=1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,ROORDVPLFPIABK-UHFFFAOYSA-N,C13H10O3,214.22,214.0629942,3.3,35.5,193,0,0,3,4,16,,302-306 °C,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BIS(4-NITROPHENYL) CARBONATE,005070-13-3,78756,bis(4-nitrophenyl) carbonate,C1=CC(=CC=C1[N+](=O)[O-])OC(=O)OC2=CC=C(C=C2)[N+](=O)[O-],InChI=1S/C13H8N2O7/c16-13(21-11-5-1-9(2-6-11)14(17)18)22-12-7-3-10(4-8-12)15(19)20/h1-8H,ACBQROXDOHKANW-UHFFFAOYSA-N,C13H8N2O7,304.21,304.0331506,3.3,127,377,0,0,7,4,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3H-INDOLIUM, 2-[2-[(4-METHOXYPHENYL)AMINO]ETHENYL]-1,3,3-TRIMETHYL-, CHLORIDE",025717-55-9,117612,"4-methoxy-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline chloride",CC1(C2=CC=CC=C2[N+](=C1C=CNC3=CC=C(C=C3)OC)C)C.[Cl-],"InChI=1S/C20H22N2O.ClH/c1-20(2)17-7-5-6-8-18(17)22(3)19(20)13-14-21-15-9-11-16(23-4)12-10-15;/h5-14H,1-4H3;1H",OXPKRRHGPFICAE-UHFFFAOYSA-N,C20H23ClN2O,342.9,342.1498911,,24.3,472,0,1,3,4,24,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"TRICYCLO[2.2.1.02,6]HEPTANE, 1,7,7-TRIMETHYL-",000508-32-7,79035,"1,7,7-trimethyltricyclo[2.2.1.02,6]heptane",CC1(C2CC3C1(C3C2)C)C,"InChI=1S/C10H16/c1-9(2)6-4-7-8(5-6)10(7,9)3/h6-8H,4-5H2,1-3H3",RRBYUSWBLVXTQN-UHFFFAOYSA-N,C10H16,136.23,136.1252005,3.2,0,190,0,0,0,0,10,,152.00 to 153.00 °C. @ 760.00 mm Hg,1,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-PENTEN-1-OL, 5-(2,3-DIMETHYLTRICYCLO[2.2.1.02,6]HEPT-3-YL)-2-METHYL-, STEREO",000115-71-9,11085337,"(Z)-5-[(1S,3R,6R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol",C/C(=C/CC[C@@]1(C2C[C@H]3C1([C@H]3C2)C)C)/CO,"InChI=1S/C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,11-13,16H,4,6-9H2,1-3H3/b10-5-/t11?,12-,13+,14-,15?/m1/s1",PDEQKAVEYSOLJX-RQGDDBKYSA-N,C15H24O,220.35,220.1827154,4,20.2,331,0,1,1,4,16,Flash point > 100 °C,166-167 °C @ 14 MM HG,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1H-3A,7-METHANOAZULENE, OCTAHYDRO-3,8,8-TRIMETHYL-6-METHYLENE-, [3R-(3.ALPHA.,",000546-28-1,11106485,"(1S,2R,5S,7S)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane",C[C@@H]1CC[C@@H]2[C@]13CCC(=C)[C@H](C3)C2(C)C,"InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h11-13H,1,5-9H2,2-4H3/t11-,12+,13+,15+/m1/s1",DYLPEFGBWGEFBB-OSFYFWSMSA-N,C15H24,204.35,204.1878008,4.9,0,312,0,0,0,0,15,,,1,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-3A,7-METHANOAZULEN-5-OL, OCTAHYDRO-3,8,8-TRIMETHYL-6-METHYLENE-",028231-03-0,119831,"2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol",CC1CCC2C13CC(C2(C)C)C(=C)C(C3)O,"InChI=1S/C15H24O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9,11-13,16H,2,5-8H2,1,3-4H3",DJYWGTBEZVORGE-UHFFFAOYSA-N,C15H24O,220.35,220.1827154,3.6,20.2,343,0,1,1,0,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"AZULENE, 1,2,3,4,5,6,7,8-OCTAHYDRO-1,4-DIMETHYL-7-(1-METHYLETHENYL)-, [1S-(1.A",003691-12-1,5317844,"(1S,4S,7R)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene",C[C@H]1CC[C@H](CC2=C1CC[C@@H]2C)C(=C)C,"InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+/m0/s1",ADIDQIZBYUABQK-RWMBFGLXSA-N,C15H24,204.35,204.1878008,4.6,0,295,0,0,0,1,15,,,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"5-AZULENEMETHANOL, 1,2,3,4,5,6,7,8-OCTAHYDRO-.ALPHA.,.ALPHA.,3,8-TETRAMETHYL-,",000134-28-1,240122,"2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yl acetate",C[C@H]1CC[C@H](CC2=C1CC[C@@H]2C)C(C)(C)OC(=O)C,"InChI=1S/C17H28O2/c1-11-6-8-14(17(4,5)19-13(3)18)10-16-12(2)7-9-15(11)16/h11-12,14H,6-10H2,1-5H3/t11-,12-,14+/m0/s1",DRFSOBZVMGLICQ-SGMGOOAPSA-N,C17H28O2,264.4,264.2089301,3.6,26.3,392,0,0,2,3,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"NAPHTHALENE, DECAHYDRO-1,6-DIMETHYL-4-(1-METHYLETHYL)-, [1S-(1.ALPHA.,4.ALPHA.",029350-73-0,14619934,"3,8-dimethyl-5-propan-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene",CC1CCC2C(C1)C(CC=C2C)C(C)C,"InChI=1S/C15H26/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,10-11,13-15H,5,7-9H2,1-4H3",KGBJOURASGCRPP-UHFFFAOYSA-N,C15H26,206.37,206.2034508,5.1,0,249,0,0,0,1,15,,,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-NAPHTHALENOL, 1,2,3,4,4A,7,8,8A-OCTAHYDRO-2,4A,5,8A-TETRAMETHYL-,FORMATE",065405-72-3,103377,"(2,4a,5,8a-tetramethyl-1,2,3,4,7,8-hexahydronaphthalen-1-yl) formate",CC1CCC2(C(=CCCC2(C1OC=O)C)C)C,"InChI=1S/C15H24O2/c1-11-7-9-14(3)12(2)6-5-8-15(14,4)13(11)17-10-16/h6,10-11,13H,5,7-9H2,1-4H3",DAWDTDPJINNEJM-UHFFFAOYSA-N,C15H24O2,236.35,236.17763,4.1,26.3,347,0,0,2,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"D-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1",056391-57-2,62115,"bis((2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol);sulfuric acid",CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@](CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N.CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@](CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O,"InChI=1S/2C21H41N5O7.5H2O4S/c2*1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20;5*1-5(2,3)4/h2*5,11-20,25-29H,4,6-9,22-24H2,1-3H3;5*(H2,1,2,3,4)/t2*11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+;;;;;/m11...../s1",AGFWIZQEWFGATK-UNZHCMSXSA-N,C42H92N10O34S5,1441.6,1440.438096,,814,754,0,26,44,16,91,,,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
DISISOMICIN PENTAKIS(SULPHATE),053179-09-2,439243,"bis((2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol);sulfuric acid",C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)N)O.C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)N)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O,"InChI=1S/2C19H37N5O7.5H2O4S/c2*1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17;5*1-5(2,3)4/h2*3,9-18,24-27H,4-7,20-23H2,1-2H3;5*(H2,1,2,3,4)/t2*9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+;;;;;/m11...../s1",CIKNYWFPGZCHDL-ZHFUJENKSA-N,C38H84N10O34S5,1385.5,1384.375496,,842,724,0,26,44,12,87,,,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
CYPOTERONE ACETATE,000427-51-0,9880,"[(1S,2S,3S,5R,11R,12S,15R,16S)-15-acetyl-9-chloro-2,16-dimethyl-6-oxo-15-pentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dienyl] acetate",CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)OC(=O)C,"InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1",UWFYSQMTEOIJJG-FDTZYFLXSA-N,C24H29ClO4,416.9,416.1754371,3.6,60.4,903,0,0,4,3,29,,,0,1,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"3'H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 6-chloro-1-beta,2-beta-dihydro-17-hydroxy-",2098-66-0,5284537,"(1S,2S,3S,5R,11R,12S,15R,16S)-15-acetyl-9-chloro-15-hydroxy-2,16-dimethylpentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dien-6-one",CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)O,"InChI=1S/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3/t12-,13+,14-,15-,16-,20-,21-,22-/m0/s1",DUSHUSLJJMDGTE-ZJPMUUANSA-N,C22H27ClO3,374.9,374.1648724,3.1,54.4,797,0,1,3,1,26,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1,6-ANHYDRO-B-D-GALACTOPYRANOSE",000644-76-8,15977254,"(1R,2R,3S,4R,5S)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol",C1[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O1)O2)O)O)O,"InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3+,4+,5-,6+/m1/s1",TWNIBLMWSKIRAT-PHYPRBDBSA-N,C6H10O5,162.14,162.0528234,-2.1,79.2,161,0,3,5,0,11,,,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-OL, 6-BROMO-5-METHYL-",032449-41-5,122885,"6-bromo-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one",CC1=C(C(=O)N2C(=N1)N=CN2)Br,"InChI=1S/C6H5BrN4O/c1-3-4(7)5(12)11-6(10-3)8-2-9-11/h2H,1H3,(H,8,9,10)",PBADSWFRDNMCQD-UHFFFAOYSA-N,C6H5BrN4O,229.03,227.96467,0.4,57.1,343,0,1,2,0,12,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-OL, 5-METHYL-",002503-56-2,75629,"5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one",CC1=CC(=O)N2C(=N1)N=CN2,"InChI=1S/C6H6N4O/c1-4-2-5(11)10-6(9-4)7-3-8-10/h2-3H,1H3,(H,7,8,9)",INVVMIXYILXINW-UHFFFAOYSA-N,C6H6N4O,150.14,150.0541608,-0.5,57.1,302,0,1,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(5-CHLORO-2-METHOXYPHENYL)-3-HYDROXY-4-(2-(2-METHOXY-5-((PHENYLAMINO)CARBONYL)PHENYL)DIAZENYL)- 2-NAPHTHALENECARBOXAMIDE,067990-05-0,106300,N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide,COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)OC,"InChI=1S/C32H25ClN4O5/c1-41-27-15-13-21(33)18-25(27)35-32(40)24-16-19-8-6-7-11-23(19)29(30(24)38)37-36-26-17-20(12-14-28(26)42-2)31(39)34-22-9-4-3-5-10-22/h3-18,38H,1-2H3,(H,34,39)(H,35,40)",IBHCUBFBUGYOHF-UHFFFAOYSA-N,C32H25ClN4O5,581,580.1513476,7.4,122,933,0,3,7,8,42,,,0,1,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0
C.I. PIGMENT RED 187,059487-23-9,62154,"4-[[5-[(4-carbamoylphenyl)carbamoyl]-2-methoxyphenyl]diazenyl]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide",COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)N)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)NC5=CC(=C(C=C5OC)OC)Cl)O,"InChI=1S/C34H28ClN5O7/c1-45-27-13-10-20(33(43)37-21-11-8-18(9-12-21)32(36)42)15-26(27)39-40-30-22-7-5-4-6-19(22)14-23(31(30)41)34(44)38-25-16-24(35)28(46-2)17-29(25)47-3/h4-17,41H,1-3H3,(H2,36,42)(H,37,43)(H,38,44)",DZYFEMTUCDZMSP-UHFFFAOYSA-N,C34H28ClN5O7,654.1,653.1677259,6.2,174,1110,0,4,9,10,47,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"1,4,7-TRIAZONANE TRIHYDROCHLORIDE",058966-93-1,2724990,"1,4,7-triazonane;trihydrochloride",C1CNCCNCCN1.Cl.Cl.Cl,"InChI=1S/C6H15N3.3ClH/c1-2-8-5-6-9-4-3-7-1;;;/h7-9H,1-6H2;3*1H",HNPMVNQYFPWBKI-UHFFFAOYSA-N,C6H18Cl3N3,238.6,237.056631,,36.1,45,0,6,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3,4,6,7,8-HEXAHYDRO-1-METHYL-2H-PYRIMIDO(1,2-A)PYRIMIDINE",084030-20-6,123583,"1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine",CN1CCCN2C1=NCCC2,"InChI=1S/C8H15N3/c1-10-5-3-7-11-6-2-4-9-8(10)11/h2-7H2,1H3",OEBXWWBYZJNKRK-UHFFFAOYSA-N,C8H15N3,153.22,153.1265975,-0.1,18.8,176,0,0,1,0,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,5,7-TRIAZABICYCLO(4.4.0)DEC-5-ENE",005807-14-7,79873,"3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine",C1CNC2=NCCCN2C1,"InChI=1S/C7H13N3/c1-3-8-7-9-4-2-6-10(7)5-1/h1-6H2,(H,8,9)",FVKFHMNJTHKMRX-UHFFFAOYSA-N,C7H13N3,139.2,139.1109474,-0.3,27.6,153,0,1,1,0,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
THIOMORPHOLINE,000123-90-0,67164,thiomorpholine,C1CSCCN1,"InChI=1S/C4H9NS/c1-3-6-4-2-5-1/h5H,1-4H2",BRNULMACUQOKMR-UHFFFAOYSA-N,C4H9NS,103.19,103.0455705,0.2,37.3,34,0,1,2,0,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Thiomorpholine, 4-nitroso-",26541-51-5,33535,4-nitrosothiomorpholine,C1CSCCN1N=O,InChI=1S/C4H8N2OS/c7-5-6-1-3-8-4-2-6/h1-4H2,OMDNEQQMLDYBTR-UHFFFAOYSA-N,C4H8N2OS,132.19,132.0357341,0.4,58,82,0,0,4,0,8,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DICHLOROTETRAPHENYLDISILOXANE",007756-87-8,82192,chloro-[chloro(diphenyl)silyl]oxy-diphenylsilane,C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)Cl)Cl,"InChI=1S/C24H20Cl2OSi2/c25-28(21-13-5-1-6-14-21,22-15-7-2-8-16-22)27-29(26,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H",YQULWRCMYAXEAV-UHFFFAOYSA-N,C24H20Cl2OSi2,451.5,450.0429737,,9.2,413,0,0,1,6,29,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-DIMETHYL-1,1,3,3-TETRAPHENYLDISILOXANE",000807-28-3,13121,methyl-[methyl(diphenyl)silyl]oxy-diphenylsilane,C[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[Si](C)(C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C26H26OSi2/c1-28(23-15-7-3-8-16-23,24-17-9-4-10-18-24)27-29(2,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3",RFGGTTPASBFBTB-UHFFFAOYSA-N,C26H26OSi2,410.7,410.1522185,,9.2,403,0,0,1,6,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CARBAMIC ACID, [3-CHLORO-2-OXO-1-(PHENYLMETHYL)PROPYL]-, PHENYLMETHYL ESTER, (",026049-94-5,99625,benzyl N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate,C1=CC=C(C=C1)C[C@@H](C(=O)CCl)NC(=O)OCC2=CC=CC=C2,"InChI=1S/C18H18ClNO3/c19-12-17(21)16(11-14-7-3-1-4-8-14)20-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)/t16-/m0/s1",OYHLRJGDELITAF-INIZCTEOSA-N,C18H18ClNO3,331.8,331.0975211,3.8,55.4,376,0,1,3,8,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
N-(CARBOBENZYLOXY)-L-PHENYLALANINE,001161-13-3,70878,(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid,C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2,"InChI=1S/C17H17NO4/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,21)(H,19,20)/t15-/m0/s1",RRONHWAVOYADJL-HNNXBMFYSA-N,C17H17NO4,299.32,299.115758,2.1,75.6,360,0,2,4,7,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"1,1'-(METHYLENEBIS(2-ETHYL-6-METHYL-4,1-PHENYLENE))BIS-1H-PYRROLE-2,5-DIONE",105391-33-1,10950302,"1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-methylphenyl]methyl]-2-ethyl-6-methylphenyl]pyrrole-2,5-dione",CCC1=C(C(=CC(=C1)CC2=CC(=C(C(=C2)C)N3C(=O)C=CC3=O)CC)C)N4C(=O)C=CC4=O,"InChI=1S/C27H26N2O4/c1-5-20-14-18(11-16(3)26(20)28-22(30)7-8-23(28)31)13-19-12-17(4)27(21(6-2)15-19)29-24(32)9-10-25(29)33/h7-12,14-15H,5-6,13H2,1-4H3",YNSSPVZNXLACMW-UHFFFAOYSA-N,C27H26N2O4,442.5,442.1892573,4.4,74.8,771,0,0,4,6,33,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
PACILITAXEL,033069-62-4,36314,"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C,"InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1",RCINICONZNJXQF-MZXODVADSA-N,C47H51NO14,853.9,853.3309553,2.5,221,1790,0,4,14,14,62,,,0,0,0,0,0,0,1,1,0,0,1,0,0,1,1,0,1,1,1,1
"Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (alpha-R,beta-S)-",78432-77-6,155831,"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)O,"InChI=1S/C45H49NO13/c1-24-29(57-41(54)35(50)33(26-15-9-6-10-16-26)46-39(52)27-17-11-7-12-18-27)22-45(55)38(58-40(53)28-19-13-8-14-20-28)36-43(5,37(51)34(49)32(24)42(45,3)4)30(48)21-31-44(36,23-56-31)59-25(2)47/h6-20,29-31,33-36,38,48-50,55H,21-23H2,1-5H3,(H,46,52)/t29-,30-,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1",TYLVGQKNNUHXIP-MHHARFCSSA-N,C45H49NO13,811.9,811.3203906,1.9,215,1680,0,5,13,12,59,,,1,0,0,1,0,1,1,1,0,0,1,0,0,1,1,0,1,1,1,1
TRIETHANOLAMINE BORATE,000283-56-7,84862,"2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane",B12OCCN(CCO1)CCO2,InChI=1S/C6H12BNO3/c1-4-9-7-10-5-2-8(1)3-6-11-7/h1-6H2,NKPKVNRBHXOADG-UHFFFAOYSA-N,C6H12BNO3,156.98,157.0910234,,30.9,111,0,0,4,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CEPHAPIRIN SODIUM SALT,024356-60-3,23675312,"sodium (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)[O-].[Na+],"InChI=1S/C17H17N3O6S2.Na/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);/q;+1/p-1/t13-,16-;/m1./s1",VGEOUKPOQQEQSX-OALZAMAHSA-M,C17H16N3NaO6S2,445.4,445.0378219,,179,713,0,1,9,8,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-(2-(4-pyridylthio)acetamido)-, acetate (ester)",21593-23-7,30699,"(6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O,"InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)/t13-,16-/m1/s1",UQLLWWBDSUHNEB-CZUORRHYSA-N,C17H17N3O6S2,423.5,423.0558776,-1.1,177,707,0,2,9,8,28,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"2,3,6,7,10,11-HEXAHYDROXYTRIPHENYLENE",004877-80-9,11088610,"triphenylene-2,3,6,7,10,11-hexol",C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1O)O)O)O)O)O,"InChI=1S/C18H12O6/c19-13-1-7-8(2-14(13)20)10-4-17(23)18(24)6-12(10)11-5-16(22)15(21)3-9(7)11/h1-6,19-24H",QMLILIIMKSKLES-UHFFFAOYSA-N,C18H12O6,324.3,324.0633881,2.7,121,364,0,6,6,0,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3,6,7,10,11-HEXABROMOTRIPHENYLENE",082632-80-2,11083045,"2,3,6,7,10,11-hexabromotriphenylene",C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1Br)Br)Br)Br)Br)Br,InChI=1S/C18H6Br6/c19-13-1-7-8(2-14(13)20)10-4-17(23)18(24)6-12(10)11-5-16(22)15(21)3-9(7)11/h1-6H,GLHQUXLCQLQNPZ-UHFFFAOYSA-N,C18H6Br6,701.7,701.55083,9,0,364,0,0,0,0,24,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
TICARCILLIN DISODIUM,004697-14-7,656842,"disodium;(2S,5R,6R)-6-[(2-carboxylato-2-thiophen-3-ylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CSC=C3)C(=O)[O-])C(=O)[O-])C.[Na+].[Na+],"InChI=1S/C15H16N2O6S2.2Na/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6;;/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23);;/q;2*+1/p-2/t7?,8-,9+,12-;;/m1../s1",ZBBCUBMBMZNEME-UBXQQCHXSA-L,C15H14N2Na2O6S2,428.4,428.0088671,,183,628,0,1,8,3,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((2R)-2-carboxy-2-(3-thienyl)acetyl)amino)-3,3-dimethyl-7-oxo-, (2S,5R,6R)-",34787-01-4,36921,"(2S,5R,6R)-6-[[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CSC=C3)C(=O)O)C(=O)O)C,"InChI=1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8-,9+,12-/m1/s1",OHKOGUYZJXTSFX-KZFFXBSXSA-N,C15H16N2O6S2,384.4,384.0449786,0.8,178,640,0,3,8,5,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Acetic acid, (((2-((2-(((aminocarbonyl)oxy)methyl)-4-oxo-1-sulfo-3-azotidinyl)",086832-68-0,9568618,"disodium;2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-(carbamoyloxymethyl)-4-oxo-1-sulfonatoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxyacetate",C1=C(N=C(S1)N)/C(=N/OCC(=O)[O-])/C(=O)N[C@H]2[C@H](N(C2=O)S(=O)(=O)[O-])COC(=O)N.[Na+].[Na+],"InChI=1S/C12H14N6O10S2.2Na/c13-11-15-4(3-29-11)7(17-28-2-6(19)20)9(21)16-8-5(1-27-12(14)23)18(10(8)22)30(24,25)26;;/h3,5,8H,1-2H2,(H2,13,15)(H2,14,23)(H,16,21)(H,19,20)(H,24,25,26);;/q;2*+1/p-2/b17-7-;;/t5-,8+;;/m1../s1",BGGXRVPCJUKHTQ-AHCAJXDVSA-L,C12H12N6Na2O10S2,510.4,509.9851715,,296,839,0,3,14,8,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AZTREONAM,078110-38-0,5742832,"2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid",C[C@H]1[C@@H](C(=O)N1S(=O)(=O)O)NC(=O)/C(=N\OC(C)(C)C(=O)O)/C2=CSC(=N2)N,"InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1",WZPBZJONDBGPKJ-VEHQQRBSSA-N,C13H17N5O8S2,435.4,435.0518549,0.3,238,808,0,4,12,7,28,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,1,1,0
METHICILLIN SODIUM,000132-92-3,23667627,"sodium (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3=C(C=CC=C3OC)OC)C(=O)[O-])C.[Na+],"InChI=1S/C17H20N2O6S.Na/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4;/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23);/q;+1/p-1/t11-,12+,15-;/m1./s1",MGFZNWDWOKASQZ-UMLIZJHQSA-M,C17H19N2NaO6S,402.4,402.0861518,,133,606,0,1,7,5,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2,6-dimethoxybenzamido)-3,3,-dimethyl-7-oxo-",61-32-5,6087,"(2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3=C(C=CC=C3OC)OC)C(=O)O)C,"InChI=1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/t11-,12+,15-/m1/s1",RJQXTJLFIWVMTO-TYNCELHUSA-N,C17H20N2O6S,380.4,380.1042075,1.2,130,600,0,2,7,5,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Butanediol, cyclic sulfite",4426-51-1,20481,"4-methyl-1,3,2-dioxathiane 2-oxide",CC1CCOS(=O)O1,"InChI=1S/C4H8O3S/c1-4-2-3-6-8(5)7-4/h4H,2-3H2,1H3",WGMZCGUVEQNCCE-UHFFFAOYSA-N,C4H8O3S,136.17,136.0194153,0.8,54.7,103,0,0,4,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,2-DIOXATHIANE 2-OXIDE",004176-55-0,77839,"1,3,2-dioxathiane 2-oxide",C1COS(=O)OC1,InChI=1S/C3H6O3S/c4-7-5-2-1-3-6-7/h1-3H2,LOURZMYQPMDBSR-UHFFFAOYSA-N,C3H6O3S,122.15,122.0037652,0.3,54.7,74,0,0,4,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Sulfanilamide, N(sup 1)-(6-methoxy-3-pyridazinyl)-",000080-35-3,5330,4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide,COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N,"InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)",VLYWMPOKSSWJAL-UHFFFAOYSA-N,C11H12N4O3S,280.31,280.0630114,0.3,116,376,0,2,7,4,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"Benzenesulfonamide, 4-amino-N-(6-chloro-3-pyridazinyl)-",80-32-0,6634,4-amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide,C1=CC(=CC=C1N)S(=O)(=O)NC2=NN=C(C=C2)Cl,"InChI=1S/C10H9ClN4O2S/c11-9-5-6-10(14-13-9)15-18(16,17)8-3-1-7(12)2-4-8/h1-6H,12H2,(H,14,15)",XOXHILFPRYWFOD-UHFFFAOYSA-N,C10H9ClN4O2S,284.72,284.0134744,1,106,365,0,2,6,3,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"PEPTIDASE, ENTERO-",009014-74-8,168009870,"bis(5-benzyl-8,8-dimethylnon-6-ene-1-sulfonic acid);5-[2-(4-tert-butylphenyl)ethenyl]-7-methyloctane-1-sulfonic acid;8,8-dimethyl-5-phenylnon-6-ene-1-sulfonic acid;bis(5-[(4-fluorophenyl)methyl]-8,8-dimethylnon-6-ene-1-sulfonic acid);bis(5-[(4-methoxyphenyl)methyl]-8,8-dimethylnon-6-ene-1-sulfonic acid)",CC(C)CC(CCCCS(=O)(=O)O)C=CC1=CC=C(C=C1)C(C)(C)C.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=CC=C1.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=CC=C1.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=C(C=C1)OC.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=C(C=C1)OC.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=C(C=C1)F.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=C(C=C1)F.CC(C)(C)C=CC(CCCCS(=O)(=O)O)C1=CC=CC=C1,"InChI=1S/C21H34O3S.2C19H30O4S.2C18H27FO3S.2C18H28O3S.C17H26O3S/c1-17(2)16-19(8-6-7-15-25(22,23)24)10-9-18-11-13-20(14-12-18)21(3,4)5;2*1-19(2,3)13-12-16(7-5-6-14-24(20,21)22)15-17-8-10-18(23-4)11-9-17;2*1-18(2,3)12-11-15(6-4-5-13-23(20,21)22)14-16-7-9-17(19)10-8-16;2*1-18(2,3)13-12-17(11-7-8-14-22(19,20)21)15-16-9-5-4-6-10-16;1-17(2,3)13-12-16(15-9-5-4-6-10-15)11-7-8-14-21(18,19)20/h9-14,17,19H,6-8,15-16H2,1-5H3,(H,22,23,24);2*8-13,16H,5-7,14-15H2,1-4H3,(H,20,21,22);2*7-12,15H,4-6,13-14H2,1-3H3,(H,20,21,22);2*4-6,9-10,12-13,17H,7-8,11,14-15H2,1-3H3,(H,19,20,21);4-6,9-10,12-13,16H,7-8,11,14H2,1-3H3,(H,18,19,20)",VRASXGTWKFQRNS-UHFFFAOYSA-N,C148H230F2O26S8,2719.9,2718.444268,,520,2230,0,8,28,74,184,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"1H-2-Benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-tr",026538-44-3,2999413,"(4S,8R)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one",C[C@H]1CCC[C@@H](CCCCCC2=C(C(=CC(=C2)O)O)C(=O)O1)O,"InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14+/m0/s1",DWTTZBARDOXEAM-GXTWGEPZSA-N,C18H26O5,322.4,322.1780239,4.3,87,372,0,3,5,0,23,,,0,0,0,0,0,1,0,1,0,0,0,0,0,1,0,0,1,0,1,1
"1H-2-Benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl-, (3S,7S)-",42422-68-4,65434,"(4S,8S)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one",C[C@H]1CCC[C@H](CCCCCC2=C(C(=CC(=C2)O)O)C(=O)O1)O,"InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14-/m0/s1",DWTTZBARDOXEAM-JSGCOSHPSA-N,C18H26O5,322.4,322.1780239,4.3,87,372,0,3,5,0,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-mandelamido-3-(((1-me",030034-03-8,23672568,"sodium (6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)[C@@H](C4=CC=CC=C4)O)SC2)C(=O)[O-].[Na+],"InChI=1S/C18H18N6O5S2.Na/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9;/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29);/q;+1/p-1/t11-,13-,16-;/m1./s1",OJMNTWPPFNMOCJ-CFOLLTDRSA-M,C18H17N6NaO5S2,484.5,484.0599543,,204,783,0,2,10,7,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((formyloxy)phenylacetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, monosodium salt, (6R-(6-alpha,7-beta(R)))-",42540-40-9,23665731,"sodium (6R,7R)-7-[[(2R)-2-formyloxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)[C@@H](C4=CC=CC=C4)OC=O)SC2)C(=O)[O-].[Na+],"InChI=1S/C19H18N6O6S2.Na/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10;/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30);/q;+1/p-1/t12-,14-,17-;/m1./s1",ICZOIXFFVKYXOM-YCLOEFEOSA-M,C19H17N6NaO6S2,512.5,512.0548689,,210,844,0,1,11,9,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"4H-s-Triazolo(3,4-c)thieno(2,3-e)(1,4)-diazepine, 6-(o-chlorophenyl)-8-ethyl-1",040054-69-1,3307,"7-(2-chlorophenyl)-4-ethyl-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene",CCC1=CC2=C(S1)N3C(=NN=C3CN=C2C4=CC=CC=C4Cl)C,"InChI=1S/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3",VMZUTJCNQWMAGF-UHFFFAOYSA-N,C17H15ClN4S,342.8,342.0705954,2.6,71.3,474,0,0,4,2,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
"1H-Imidazole-4-carboxamide, 5-hydroxy-1-beta-D-ribofuranosyl-",050924-49-7,104762,"1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxyimidazole-4-carboxamide",C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)N,"InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1",HZQDCMWJEBCWBR-UUOKFMHZSA-N,C9H13N3O6,259.22,259.0804351,-1.9,151,329,0,5,7,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"1H-IMIDAZOLE-4-CARBOXAMIDE, 5-AMINO-1-.BETA.-D-RIBOFURANOSYL-",002627-69-2,17513,"5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide",C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N,"InChI=1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17)/t3-,5-,6-,9-/m1/s1",RTRQQBHATOEIAF-UUOKFMHZSA-N,C9H14N4O5,258.23,258.0964196,-2.2,157,330,0,5,7,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Estra-4,9-dien-3-one, 17-alpha-methyl-17-propionyl-",34184-77-5,36709,"(8S,13S,14S,17S)-13,17-dimethyl-17-propanoyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one",CCC(=O)[C@]1(CC[C@@H]2[C@@]1(CCC3=C4CCC(=O)C=C4CC[C@@H]23)C)C,"InChI=1S/C22H30O2/c1-4-20(24)22(3)12-10-19-18-7-5-14-13-15(23)6-8-16(14)17(18)9-11-21(19,22)2/h13,18-19H,4-12H2,1-3H3/t18-,19+,21+,22-/m1/s1",QFFCYTLOTYIJMR-XMGTWHOFSA-N,C22H30O2,326.5,326.2245802,3.3,34.1,667,0,0,2,2,24,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
PHENANTHRAQUINONE,000084-11-7,6763,"phenanthrene-9,10-dione",C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O,InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H,YYVYAPXYZVYDHN-UHFFFAOYSA-N,C14H8O2,208.21,208.0524295,2.5,34.1,289,0,0,2,0,16,,About 360 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,6-DIBROMOPHENANTHRENE-9,10-DIONE",053348-05-3,258450,"3,6-dibromophenanthrene-9,10-dione",C1=CC2=C(C=C1Br)C3=C(C=CC(=C3)Br)C(=O)C2=O,InChI=1S/C14H6Br2O2/c15-7-1-3-9-11(5-7)12-6-8(16)2-4-10(12)14(18)13(9)17/h1-6H,WPEJBJRFPBMVGJ-UHFFFAOYSA-N,C14H6Br2O2,366,365.87141,3.9,34.1,346,0,0,2,0,18,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-DIPHENYL-1,3-BUTADIENE",000886-65-7,13452,"4-phenylbuta-1,3-dienylbenzene",C1=CC=C(C=C1)C=CC=CC2=CC=CC=C2,InChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H,JFLKFZNIIQFQBS-UHFFFAOYSA-N,C16H14,206.28,206.1095504,5.5,0,198,0,0,0,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMPHOTERICIN B,001397-89-3,5280965,"(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid",C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O,"InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1",APKFDSVGJQXUKY-INPOYWNPSA-N,C47H73NO17,924.1,923.4878499,0,320,1670,0,12,18,3,65,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"POLY[OXY(METHYL-1,2-ETHANEDIYL)], .ALPHA.-(1-OXO-2-PROPENYL)-.OMEGA.-(NONYLPHE",071926-19-7,168344293,"1-[33-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaen-36-yl]-3-[3-hydroxy-2-(hydroxymethyl)propyl]urea",CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)NC(=O)NCC(CO)CO)OC3C(C(C(C(O3)C)O)N)O,"InChI=1S/C51H83N3O18/c1-30-17-15-13-11-9-7-5-6-8-10-12-14-16-18-38(71-49-48(66)44(52)47(65)33(4)70-49)24-42-45(54-50(67)53-27-34(28-55)29-56)41(62)26-51(68,72-42)25-37(59)22-40(61)39(60)20-19-35(57)21-36(58)23-43(63)69-32(3)31(2)46(30)64/h5-18,30-42,44-49,55-62,64-66,68H,19-29,52H2,1-4H3,(H2,53,54,67)",STQIEHJIXDFWML-UHFFFAOYSA-N,C51H83N3O18,1026.2,1025.567163,0.3,364,1810,0,15,19,7,72,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,4,8,11-TETRAAZACYCLOTETRADECANE",000295-37-4,64964,"1,4,8,11-tetrazacyclotetradecane",C1CNCCNCCCNCCNC1,"InChI=1S/C10H24N4/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h11-14H,1-10H2",MDAXKAUIABOHTD-UHFFFAOYSA-N,C10H24N4,200.32,200.2000968,-1.6,48.1,92,0,4,4,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4,8,11-TETRAMETHYL-1,4,8,11-TETRAAZACYCLOTETRADECANE",041203-22-9,123502,"1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane",CN1CCCN(CCN(CCCN(CC1)C)C)C,"InChI=1S/C14H32N4/c1-15-7-5-8-17(3)13-14-18(4)10-6-9-16(2)12-11-15/h5-14H2,1-4H3",HRFJEOWVAGSJNW-UHFFFAOYSA-N,C14H32N4,256.43,256.262697,0.4,13,168,0,0,4,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHENYL SULFOXIDE,000945-51-7,13679,benzenesulfinylbenzene,C1=CC=C(C=C1)S(=O)C2=CC=CC=C2,InChI=1S/C12H10OS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,JJHHIJFTHRNPIK-UHFFFAOYSA-N,C12H10OS,202.27,202.0452361,2.1,36.3,170,0,0,2,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Sulfoxide, bis(p-chlorophenyl)",3085-42-5,18329,1-chloro-4-(4-chlorophenyl)sulfinylbenzene,C1=CC(=CC=C1S(=O)C2=CC=C(C=C2)Cl)Cl,InChI=1S/C12H8Cl2OS/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8H,KJGYFISADIZFEL-UHFFFAOYSA-N,C12H8Cl2OS,271.2,269.9672914,4,36.3,219,0,0,2,2,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
4-MERCAPTOPYRIDINE,004556-23-4,2723889,1H-pyridine-4-thione,C1=CNC=CC1=S,"InChI=1S/C5H5NS/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)",FHTDDANQIMVWKZ-UHFFFAOYSA-N,C5H5NS,111.17,111.0142703,-0.7,44.1,121,0,1,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COUMARIN 7,027425-55-4,94381,3-(1H-benzimidazol-2-yl)-7-(diethylamino)chromen-2-one,CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3,"InChI=1S/C20H19N3O2/c1-3-23(4-2)14-10-9-13-11-15(20(24)25-18(13)12-14)19-21-16-7-5-6-8-17(16)22-19/h5-12H,3-4H2,1-2H3,(H,21,22)",GOLORTLGFDVFDW-UHFFFAOYSA-N,C20H19N3O2,333.4,333.1477269,4,58.2,531,0,1,4,4,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
DMT THYMIDINE B-CYANOETHYL DIISOPROPYL PHOSPHORAMIDITE,098796-51-1,9940288,"3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile",CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(N(C(C)C)C(C)C)OCCC#N,"InChI=1S/C40H49N4O8P/c1-27(2)44(28(3)4)53(50-23-11-22-41)52-35-24-37(43-25-29(5)38(45)42-39(43)46)51-36(35)26-49-40(30-12-9-8-10-13-30,31-14-18-33(47-6)19-15-31)32-16-20-34(48-7)21-17-32/h8-10,12-21,25,27-28,35-37H,11,23-24,26H2,1-7H3,(H,42,45,46)/t35-,36+,37+,53?/m0/s1",UNOTXUFIWPRZJX-CEXSRUIHSA-N,C40H49N4O8P,744.8,744.3288015,5.7,132,1240,0,1,10,17,53,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
RESAZURIN,000550-82-3,11077,7-hydroxy-10-oxidophenoxazin-10-ium-3-one,C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=[N+]2[O-],"InChI=1S/C12H7NO4/c14-7-1-3-9-11(5-7)17-12-6-8(15)2-4-10(12)13(9)16/h1-6,14H",PLXBWHJQWKZRKG-UHFFFAOYSA-N,C12H7NO4,229.19,229.0375077,-0.1,75.3,463,0,1,4,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-FLUORO-1-METHYL PYRIDINIUM P-TOLUENE SULFONATE,058086-67-2,171631,2-fluoro-1-methylpyridin-1-ium;4-methylbenzenesulfonate,CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1F,"InChI=1S/C7H8O3S.C6H7FN/c1-6-2-4-7(5-3-6)11(8,9)10;1-8-5-3-2-4-6(8)7/h2-5H,1H3,(H,8,9,10);2-5H,1H3/q;+1/p-1",HQWDKLAIDBOLFE-UHFFFAOYSA-M,C13H14FNO3S,283.32,283.0678426,,69.5,268,0,0,4,0,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIDINE, 4-METHYLBENZENESULFONATE",024057-28-1,466102,4-methylbenzenesulfonate;pyridin-1-ium,CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=[NH+]C=C1,"InChI=1S/C7H8O3S.C5H5N/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-4-6-5-3-1/h2-5H,1H3,(H,8,9,10);1-5H",ZDYVRSLAEXCVBX-UHFFFAOYSA-N,C12H13NO3S,251.3,251.0616145,,79.7,224,0,1,3,0,17,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
"NAPHTHO[1,2-D]THIAZOLIUM, 1-(3-SULFOPROPYL)-2-[2-[[1-(3-SULFOPROPYL)NAPHTHO[1,",023216-67-3,90888,"N,N-diethylethanamine;3-[2-[2-[[1-(3-sulfopropyl)benzo[e][1,3]benzothiazol-2-ylidene]methyl]but-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate",CCC(=CC1=[N+](C2=C(S1)C=CC3=CC=CC=C32)CCCS(=O)(=O)[O-])C=C4N(C5=C(S4)C=CC6=CC=CC=C65)CCCS(=O)(=O)O.CCN(CC)CC,"InChI=1S/C33H32N2O6S4.C6H15N/c1-2-23(21-30-34(17-7-19-44(36,37)38)32-26-11-5-3-9-24(26)13-15-28(32)42-30)22-31-35(18-8-20-45(39,40)41)33-27-12-6-4-10-25(27)14-16-29(33)43-31;1-4-7(5-2)6-3/h3-6,9-16,21-22H,2,7-8,17-20H2,1H3,(H-,36,37,38,39,40,41);4-6H2,1-3H3",IRGJPQDDBXQCAP-UHFFFAOYSA-N,C39H47N3O6S4,782.1,781.2347709,,192,1320,0,1,10,13,52,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CHLOROGENIC ACID,000327-97-9,1794427,"(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid",C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",CWVRJTMFETXNAD-JUHZACGLSA-N,C16H18O9,354.31,354.0950822,-0.4,165,534,0,6,9,5,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexanecarboxylic acid, 3-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1R,3R,4S,5R)-",906-33-2,5280633,"(1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid",C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1",CWVRJTMFETXNAD-NXLLHMKUSA-N,C16H18O9,354.31,354.0950822,-0.4,165,534,0,6,9,5,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-CYCLOHEXANEDIONE",000637-88-7,12511,"cyclohexane-1,4-dione",C1CC(=O)CCC1=O,InChI=1S/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-4H2,DCZFGQYXRKMVFG-UHFFFAOYSA-N,C6H8O2,112.13,112.0524295,-0.6,34.1,98,0,0,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-CYCLOHEXANEDICARBOXYLIC ACID, 2,5-DIOXO-, DIETHYL ESTER",000787-07-5,95310,"diethyl 2,5-dioxocyclohexane-1,4-dicarboxylate",CCOC(=O)C1CC(=O)C(CC1=O)C(=O)OCC,"InChI=1S/C12H16O6/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h7-8H,3-6H2,1-2H3",KSKWGMNRWCYVAT-UHFFFAOYSA-N,C12H16O6,256.25,256.0946882,0.3,86.7,337,0,0,6,6,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-DIPHENYLANTHRACENE",001499-10-1,15159,"9,10-diphenylanthracene",C1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC=CC=C5,InChI=1S/C26H18/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h1-18H,FCNCGHJSNVOIKE-UHFFFAOYSA-N,C26H18,330.4,330.1408506,7.6,0,375,0,0,0,2,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-CHLORO-9,10-DIPHENYLANTHRACENE",043217-27-2,630189,"1-chloro-9,10-diphenylanthracene",C1=CC=C(C=C1)C2=C3C=CC=C(C3=C(C4=CC=CC=C42)C5=CC=CC=C5)Cl,InChI=1S/C26H17Cl/c27-23-17-9-16-22-24(18-10-3-1-4-11-18)20-14-7-8-15-21(20)25(26(22)23)19-12-5-2-6-13-19/h1-17H,VVCSLEYASKOQEN-UHFFFAOYSA-N,C26H17Cl,364.9,364.1018782,8.3,0,475,0,0,0,2,27,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphonic acid, (3,4-dihydro-2-methyl-2H-pyrrol-2-yl), diethyl ester, N-oxide",157230-67-6,119606,"2-diethoxyphosphoryl-2-methyl-1-oxido-3,4-dihydropyrrol-1-ium",CCOP(=O)(C1(CCC=[N+]1[O-])C)OCC,"InChI=1S/C9H18NO4P/c1-4-13-15(12,14-5-2)9(3)7-6-8-10(9)11/h8H,4-7H2,1-3H3",OKCDBZSDRSXFIB-UHFFFAOYSA-N,C9H18NO4P,235.22,235.0973451,-0.6,64.3,294,0,0,4,5,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-PHENYLIMIDAZOLE,000670-95-1,69590,5-phenyl-1H-imidazole,C1=CC=C(C=C1)C2=CN=CN2,"InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)",XHLKOHSAWQPOFO-UHFFFAOYSA-N,C9H8N2,144.17,144.0687483,1.7,28.7,119,0,1,1,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE",002033-24-1,16249,"2,2-dimethyl-1,3-dioxane-4,6-dione",CC1(OC(=O)CC(=O)O1)C,"InChI=1S/C6H8O4/c1-6(2)9-4(7)3-5(8)10-6/h3H2,1-2H3",GXHFUVWIGNLZSC-UHFFFAOYSA-N,C6H8O4,144.12,144.0422587,0.6,52.6,164,0,0,4,0,10,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2,5-TRIMETHYL-1,3-DIOXANE-4,6-DIONE",003709-18-0,77299,"2,2,5-trimethyl-1,3-dioxane-4,6-dione",CC1C(=O)OC(OC1=O)(C)C,"InChI=1S/C7H10O4/c1-4-5(8)10-7(2,3)11-6(4)9/h4H,1-3H3",KJMCAXYHYPDRAV-UHFFFAOYSA-N,C7H10O4,158.15,158.0579088,1.2,52.6,186,0,0,4,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3'-DITHIO-BIS(PROPIONIC ACID N-HYDROXYSUCCINIMIDE ESTER)",057757-57-0,93313,"(2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]disulfanyl]propanoate",C1CC(=O)N(C1=O)OC(=O)CCSSCCC(=O)ON2C(=O)CCC2=O,InChI=1S/C14H16N2O8S2/c17-9-1-2-10(18)15(9)23-13(21)5-7-25-26-8-6-14(22)24-16-11(19)3-4-12(16)20/h1-8H2,FXYPGCIGRDZWNR-UHFFFAOYSA-N,C14H16N2O8S2,404.4,404.0348078,-1.2,178,552,0,0,10,11,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CYCLOHEXANO-15-CROWN-5,017454-48-7,86572,"2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane",C1CCC2C(C1)OCCOCCOCCOCCO2,"InChI=1S/C14H26O5/c1-2-4-14-13(3-1)18-11-9-16-7-5-15-6-8-17-10-12-19-14/h13-14H,1-12H2",GQRWGIWRQMNZNT-UHFFFAOYSA-N,C14H26O5,274.35,274.1780239,0.6,46.2,202,0,0,5,0,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-TERT-BUTYLCYCLOHEXANO-15-CROWN-5,017454-49-8,3293438,"17-tert-butyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane",CC(C)(C)C1CCC2C(C1)OCCOCCOCCOCCO2,"InChI=1S/C18H34O5/c1-18(2,3)15-4-5-16-17(14-15)23-13-11-21-9-7-19-6-8-20-10-12-22-16/h15-17H,4-14H2,1-3H3",KEDVODGFVKTPLB-UHFFFAOYSA-N,C18H34O5,330.5,330.2406242,2.2,46.2,315,0,0,5,1,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BIOTIN HYDRAZIDE,066640-86-6,83872,"5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanehydrazide",C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NN)NC(=O)N2,"InChI=1S/C10H18N4O2S/c11-14-8(15)4-2-1-3-7-9-6(5-17-7)12-10(16)13-9/h6-7,9H,1-5,11H2,(H,14,15)(H2,12,13,16)/t6-,7-,9-/m0/s1",KOZWHQPRAOJMBN-ZKWXMUAHSA-N,C10H18N4O2S,258.34,258.115047,-0.7,122,313,0,4,4,5,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BIOCYTIN HYDRAZIDE HYDROCHLORIDE,,128197,"5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(5S)-5-amino-6-hydrazinyl-6-oxohexyl]pentanamide",C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)NN)N)NC(=O)N2,"InChI=1S/C16H30N6O3S/c17-10(15(24)22-18)5-3-4-8-19-13(23)7-2-1-6-12-14-11(9-26-12)20-16(25)21-14/h10-12,14H,1-9,17-18H2,(H,19,23)(H,22,24)(H2,20,21,25)/t10-,11-,12-,14-/m0/s1",XSXHTPJCSHZYFJ-MNXVOIDGSA-N,C16H30N6O3S,386.5,386.21001,-1.2,177,506,0,6,6,11,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-METHYLUMBELLIFERYL-N-ACETYL-BETA-D-GLUCOSAMINIDE,037067-30-4,2733787,"N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]acetamide",CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C,"InChI=1S/C18H21NO8/c1-8-5-14(22)26-12-6-10(3-4-11(8)12)25-18-15(19-9(2)21)17(24)16(23)13(7-20)27-18/h3-6,13,15-18,20,23-24H,7H2,1-2H3,(H,19,21)/t13-,15-,16-,17-,18-/m1/s1",QCTHLCFVVACBSA-JVNHZCFISA-N,C18H21NO8,379.4,379.1267166,-0.8,135,608,0,4,8,4,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
7-(BETA-D-GALACTOPYRANOSYLOXY)-4-METHYL-2H-1-BENZOPYRAN-2-ONE,006160-78-7,93577,"4-methyl-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one",CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O,"InChI=1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13+,14+,15-,16-/m1/s1",YUDPTGPSBJVHCN-DZQJYWQESA-N,C16H18O8,338.31,338.1001675,-0.8,126,506,0,4,8,3,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,5,9,13-TETRATHIACYCLOHEXADECANE",000295-91-0,326052,"1,5,9,13-tetrathiacyclohexadecane",C1CSCCCSCCCSCCCSC1,InChI=1S/C12H24S4/c1-5-13-7-2-9-15-11-4-12-16-10-3-8-14-6-1/h1-12H2,LIVCAIOLNUODDU-UHFFFAOYSA-N,C12H24S4,296.6,296.0760855,4,101,101,0,0,4,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,5,9,13-TETRATHIACYCLOHEXADECANE-3,11-DIOL",109909-33-3,373813,"1,5,9,13-tetrathiacyclohexadecane-3,11-diol",C1CSCC(CSCCCSCC(CSC1)O)O,"InChI=1S/C12H24O2S4/c13-11-7-15-3-1-4-16-8-12(14)10-18-6-2-5-17-9-11/h11-14H,1-10H2",UKLHHIPXESCOQU-UHFFFAOYSA-N,C12H24O2S4,328.6,328.0659147,2.1,142,159,0,2,6,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BACITRACIN,001405-87-4,10909430,"(4R)-4-[[(2S)-2-[[(4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoyl]amino]-5-[[(2S,3S)-1-[[(3S,6R,9S,12R,15S,18R,21S)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-[(2S)-butan-2-yl]-6-(carboxymethyl)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclopentacos-21-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid",CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCCCC[C@@H](C(=O)N[C@@H](C(=O)N1)CCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSC(=N2)[C@H]([C@@H](C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4,"InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48-,52-,53-,54-/m0/s1",CLKOFPXJLQSYAH-ABRJDSQDSA-N,C66H103N17O16S,1422.7,1421.748941,-4.1,556,2850,0,17,21,31,100,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
BACITRACIN ZINC,001405-89-6,70687193,"zinc (4R)-4-[[(2S)-2-[[(4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoyl]amino]-5-[[(2S,3S)-1-[[(3S,6R,9S,12R,15S,18R,21S)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-[(2S)-butan-2-yl]-6-(carboxylatomethyl)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclopentacos-21-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoate",CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCCCC[C@@H](C(=O)N[C@@H](C(=O)N1)CCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSC(=N2)[C@H]([C@@H](C)CC)N)CC(=O)N)CC(=O)[O-])CC3=CN=CN3)CC4=CC=CC=C4.[Zn+2],"InChI=1S/C66H103N17O16S.Zn/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90;/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88);/q;+2/p-2/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48-,52-,53-,54-;/m0./s1",UCRLQOPRDMGYOA-DFTDUNEMSA-L,C66H101N17O16SZn,1486.1,1483.662433,,562,2840,0,15,21,29,101,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
4-TERT-BUTYLCALIX(4)ARENE,060705-62-6,335377,"5,11,17,23-tetratert-butylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol",CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)C(C)(C)C)C2)O)C(C)(C)C)C(C)(C)C)O,"InChI=1S/C44H56O4/c1-41(2,3)33-17-25-13-27-19-34(42(4,5)6)21-29(38(27)46)15-31-23-36(44(10,11)12)24-32(40(31)48)16-30-22-35(43(7,8)9)20-28(39(30)47)14-26(18-33)37(25)45/h17-24,45-48H,13-16H2,1-12H3",NVKLTRSBZLYZHK-UHFFFAOYSA-N,C44H56O4,648.9,648.4178603,13,80.9,840,0,4,4,4,48,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CALIX[4}ARENE,074568-07-3,562409,"pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol",C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=CC=CC(=C4O)CC5=CC=CC1=C5O)O)O,"InChI=1S/C28H24O4/c29-25-17-5-1-6-18(25)14-20-8-3-10-22(27(20)31)16-24-12-4-11-23(28(24)32)15-21-9-2-7-19(13-17)26(21)30/h1-12,29-32H,13-16H2",YPNHVQZZPXPQOS-UHFFFAOYSA-N,C28H24O4,424.5,424.1674592,6.3,80.9,466,0,4,4,0,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIPROPYLENE GLYCOL DIGLYCIDYL ETHER,041638-13-5,3034475,2-[1-[2-(oxiran-2-ylmethoxy)propoxy]propan-2-yloxymethyl]oxirane,CC(COCC(C)OCC1CO1)OCC2CO2,"InChI=1S/C12H22O5/c1-9(14-5-11-7-16-11)3-13-4-10(2)15-6-12-8-17-12/h9-12H,3-8H2,1-2H3",UCLPDTOWSOHLJX-UHFFFAOYSA-N,C12H22O5,246.3,246.1467238,0,52.8,201,0,0,5,10,17,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"Ether, bis(2-(2,3-epoxypropoxy)ethyl)",4206-61-5,351024,2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]oxirane,C1C(O1)COCCOCCOCC2CO2,"InChI=1S/C10H18O5/c1(3-12-5-9-7-14-9)11-2-4-13-6-10-8-15-10/h9-10H,1-8H2",SEFYJVFBMNOLBK-UHFFFAOYSA-N,C10H18O5,218.25,218.1154237,-0.8,52.8,157,0,0,5,10,15,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,0
"as-Triazine, 3-amino-5,6-dimethyl-",17584-12-2,87163,"5,6-dimethyl-1,2,4-triazin-3-amine",CC1=C(N=NC(=N1)N)C,"InChI=1S/C5H8N4/c1-3-4(2)8-9-5(6)7-3/h1-2H3,(H2,6,7,9)",UIKGLXJNZXSPGV-UHFFFAOYSA-N,C5H8N4,124.14,124.0748963,-0.4,64.7,95,0,1,4,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BIS(2-AMINOPHENOXY)ETHANE-N,N,N',N'-TETRAACETIC ACID",085233-19-8,104751,2-[2-[2-[2-[bis(carboxymethyl)amino]phenoxy]ethoxy]-N-(carboxymethyl)anilino]acetic acid,C1=CC=C(C(=C1)N(CC(=O)O)CC(=O)O)OCCOC2=CC=CC=C2N(CC(=O)O)CC(=O)O,"InChI=1S/C22H24N2O10/c25-19(26)11-23(12-20(27)28)15-5-1-3-7-17(15)33-9-10-34-18-8-4-2-6-16(18)24(13-21(29)30)14-22(31)32/h1-8H,9-14H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)",FTEDXVNDVHYDQW-UHFFFAOYSA-N,C22H24N2O10,476.4,476.143095,2.2,174,613,0,4,12,15,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BZ-DMT-DEOXYADENOSINE,064325-78-6,2724489,"N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide",COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=NC6=C(N=CN=C65)NC(=O)C7=CC=CC=C7)O,"InChI=1S/C38H35N5O6/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8-12-26,28-15-19-30(47-2)20-16-28)48-22-32-31(44)21-33(49-32)43-24-41-34-35(39-23-40-36(34)43)42-37(45)25-9-5-3-6-10-25/h3-20,23-24,31-33,44H,21-22H2,1-2H3,(H,39,40,42,45)/t31-,32+,33+/m0/s1",LPICNYATEWGYHI-WIHCDAFUSA-N,C38H35N5O6,657.7,657.2587339,4.8,130,1020,0,2,9,11,49,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
N6-BENZOYL-5'-O-DMT-2'-DEOXYADENOSINE CED PHOSPHORAMIDITE,098796-53-3,9962711,"N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]purin-6-yl]benzamide",CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=NC6=C(N=CN=C65)NC(=O)C7=CC=CC=C7,"InChI=1S/C47H52N7O7P/c1-32(2)54(33(3)4)62(59-27-13-26-48)61-40-28-42(53-31-51-43-44(49-30-50-45(43)53)52-46(55)34-14-9-7-10-15-34)60-41(40)29-58-47(35-16-11-8-12-17-35,36-18-22-38(56-5)23-19-36)37-20-24-39(57-6)25-21-37/h7-12,14-25,30-33,40-42H,13,27-29H2,1-6H3,(H,49,50,52,55)/t40-,41+,42+,62?/m0/s1",GGDNKEQZFSTIMJ-AKWFTNRHSA-N,C47H52N7O7P,857.9,857.366584,6.8,155,1380,0,1,12,19,62,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
2'-BENZONAPHTHONE,000644-13-3,69516,naphthalen-2-yl(phenyl)methanone,C1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3C=C2,InChI=1S/C17H12O/c18-17(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)12-16/h1-12H,SJNXJRVDSTZUFB-UHFFFAOYSA-N,C17H12O,232.28,232.088815,4.9,17.1,290,0,0,1,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ketone, 6-hydroxy-2-naphthyl phenyl",52222-87-4,93271,(6-hydroxynaphthalen-2-yl)-phenylmethanone,C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)C=C(C=C3)O,"InChI=1S/C17H12O2/c18-16-9-8-13-10-15(7-6-14(13)11-16)17(19)12-4-2-1-3-5-12/h1-11,18H",MJKZGSBXCWNUHV-UHFFFAOYSA-N,C17H12O2,248.27,248.0837296,4.2,37.3,319,0,1,2,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-Cyclohexadien-1-one, 2,6-di-tert-butyl-4-hydroxy-4-methyl-",10396-80-2,146102,"2,6-ditert-butyl-4-hydroxy-4-methylcyclohexa-2,5-dien-1-one",CC1(C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)O,"InChI=1S/C15H24O2/c1-13(2,3)10-8-15(7,17)9-11(12(10)16)14(4,5)6/h8-9,17H,1-7H3",DQBHJILNHNRDTM-UHFFFAOYSA-N,C15H24O2,236.35,236.17763,3.5,37.3,364,0,1,2,2,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
VANCOMYCIN HYDROCHLORIDE,001404-93-9,6420023,"(1S,2R,18R,19R,22S,25R,28R,40S)-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid;hydrochloride",C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)CO)O)O)(C)N)O.Cl,"InChI=1S/C66H75Cl2N9O24.ClH/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92;/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95);1H/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-;/m0./s1",LCTORFDMHNKUSG-XTTLPDOESA-N,C66H76Cl3N9O24,1485.7,1483.406877,,530,2960,0,20,26,13,102,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
Vancomycin,1404-90-6,14969,"(1S,2R,18R,19R,22S,25R,28R,40S)-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid",C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)CO)O)O)(C)N)O,"InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1",MYPYJXKWCTUITO-LYRMYLQWSA-N,C66H75Cl2N9O24,1449.2,1447.4302,-2.6,530,2960,0,19,26,13,101,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
2-(HYDROXYMETHYL)-12-CROWN-4,075507-26-5,2733085,"1,4,7,10-tetraoxacyclododec-2-ylmethanol",C1COCCOC(COCCO1)CO,"InChI=1S/C9H18O5/c10-7-9-8-13-4-3-11-1-2-12-5-6-14-9/h9-10H,1-8H2",NJIPEIQHUNDGPY-UHFFFAOYSA-N,C9H18O5,206.24,206.1154237,-1.2,57.2,130,0,1,5,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
12-CROWN-4,000294-93-9,9269,"1,4,7,10-tetraoxacyclododecane",C1COCCOCCOCCO1,InChI=1S/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2,XQQZRZQVBFHBHL-UHFFFAOYSA-N,C8H16O4,176.21,176.104859,0,36.9,65,0,0,4,0,12,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"6-NITRO-1',3',3'-TRIMETHYLSPIRO(2H-1-BENZOPYRAN-2,2'-INDOLINE)",001498-88-0,99766,"1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]",CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C=CC(=C4)[N+](=O)[O-])C)C,"InChI=1S/C19H18N2O3/c1-18(2)15-6-4-5-7-16(15)20(3)19(18)11-10-13-12-14(21(22)23)8-9-17(13)24-19/h4-12H,1-3H3",PSXPTGAEJZYNFI-UHFFFAOYSA-N,C19H18N2O3,322.4,322.1317424,4.8,58.3,555,0,0,4,0,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-MALEIMIDOBENZOIC ACID N-HYDROXY-SUCCINIMIDE ESTER,058626-38-3,93861,"(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)benzoate",C1CC(=O)N(C1=O)OC(=O)C2=CC(=CC=C2)N3C(=O)C=CC3=O,"InChI=1S/C15H10N2O6/c18-11-4-5-12(19)16(11)10-3-1-2-9(8-10)15(22)23-17-13(20)6-7-14(17)21/h1-5,8H,6-7H2",LLXVXPPXELIDGQ-UHFFFAOYSA-N,C15H10N2O6,314.25,314.053886,0,101,591,0,0,6,4,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(+)-BIS(3,5-DI-T-BUTYLSALICYLIDENE)-1,2-CYCLOHEXANE-DIAMINOMANGANESE CHLORIDE",135620-04-1,135742506,"2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese(3+);trichloride",CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=N[C@H]2CCCC[C@@H]2N=CC3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)O.[Cl-].[Cl-].[Cl-].[Mn+3],"InChI=1S/C36H54N2O2.3ClH.Mn/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;;;;/h17-22,29-30,39-40H,13-16H2,1-12H3;3*1H;/q;;;;+3/p-3/t29-,30-;;;;/m0..../s1",VGAJDQCIDNCJQC-FTKQXCDWSA-K,C36H54Cl3MnN2O2,708.1,706.26313,,65.2,793,0,2,7,8,44,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TETRACHLORO-1,2-BENZOQUINONE",002435-53-2,73252,"3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione",C1(=C(C(=O)C(=O)C(=C1Cl)Cl)Cl)Cl,InChI=1S/C6Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9,VRGCYEIGVVTZCC-UHFFFAOYSA-N,C6Cl4O2,245.9,245.86229,2.7,34.1,305,0,0,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
o-Benzoquinone,583-63-1,11421,"cyclohexa-3,5-diene-1,2-dione",C1=CC(=O)C(=O)C=C1,InChI=1S/C6H4O2/c7-5-3-1-2-4-6(5)8/h1-4H,WOAHJDHKFWSLKE-UHFFFAOYSA-N,C6H4O2,108.09,108.0211294,0.4,34.1,165,0,0,2,0,8,,,0,1,0,1,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,0
"5(6)-CARBOXY-2',7'-DICHLOROFLUORESCEIN DIACETATE",127770-45-0,16211578,"3',6'-diacetyloxy-2',7'-dichloro-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid;3',6'-diacetyloxy-2',7'-dichloro-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid",CC(=O)OC1=C(C=C2C(=C1)OC3=CC(=C(C=C3C24C5=C(C=C(C=C5)C(=O)O)C(=O)O4)Cl)OC(=O)C)Cl.CC(=O)OC1=C(C=C2C(=C1)OC3=CC(=C(C=C3C24C5=C(C=CC(=C5)C(=O)O)C(=O)O4)Cl)OC(=O)C)Cl,"InChI=1S/2C25H14Cl2O9/c1-10(28)33-21-8-19-15(6-17(21)26)25(14-4-3-12(23(30)31)5-13(14)24(32)36-25)16-7-18(27)22(34-11(2)29)9-20(16)35-19;1-10(28)33-21-8-19-15(6-17(21)26)25(14-5-12(23(30)31)3-4-13(14)24(32)36-25)16-7-18(27)22(34-11(2)29)9-20(16)35-19/h2*3-9H,1-2H3,(H,30,31)",LZMPJBOMBCYYMP-UHFFFAOYSA-N,C50H28Cl4O18,1058.5,1058.000025,,251,1790,0,2,18,10,72,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5(6)-CARBOXYFLUORESCEIN,072088-94-9,44119975,"3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid;3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid",C1=CC2=C(C=C1C(=O)O)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O.C1=CC2=C(C=C1C(=O)O)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O,"InChI=1S/2C21H12O7/c22-11-2-5-15-17(8-11)27-18-9-12(23)3-6-16(18)21(15)14-4-1-10(19(24)25)7-13(14)20(26)28-21;22-11-2-5-14-17(8-11)27-18-9-12(23)3-6-15(18)21(14)16-7-10(19(24)25)1-4-13(16)20(26)28-21/h2*1-9,22-23H,(H,24,25)",BPVHBBXCESDRKW-UHFFFAOYSA-N,C42H24O14,752.6,752.1166054,,227,1270,0,6,14,2,56,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
CAFFEIC ACID PHENETHYLESTER,104594-70-9,5281787,"2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate",C1=CC=C(C=C1)CCOC(=O)/C=C/C2=CC(=C(C=C2)O)O,"InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+",SWUARLUWKZWEBQ-VQHVLOKHSA-N,C17H16O4,284.31,284.104859,4.2,66.8,347,0,2,4,6,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cinnamic acid, 3,4-dihydroxy-, 2-ester with 3-(3,4-dihydroxyphenyl)lactic acid",20283-92-5,5281792,"(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid",C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O,"InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1",DOUMFZQKYFQNTF-WUTVXBCWSA-N,C18H16O8,360.3,360.0845175,2.4,145,519,0,5,8,7,26,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
IR-775 CHLORIDE,199444-11-6,53424056,"2-[2-[2-chloro-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole chloride",CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4C)(C)C)CCC3)Cl)C)C.[Cl-],"InChI=1S/C32H36ClN2.ClH/c1-31(2)24-14-7-9-16-26(24)34(5)28(31)20-18-22-12-11-13-23(30(22)33)19-21-29-32(3,4)25-15-8-10-17-27(25)35(29)6;/h7-10,14-21H,11-13H2,1-6H3;1H/q+1;/p-1",BPSIJFMUSNMMAL-UHFFFAOYSA-M,C32H36Cl2N2,519.5,518.2255545,,6.3,931,0,0,2,3,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENAMINE, 3-METHYL-4-(1-PYRROLIDINYL)-, MONOHYDROCHLORIDE",068155-75-9,109673,3-methyl-4-pyrrolidin-1-ylaniline;hydrochloride,CC1=C(C=CC(=C1)N)N2CCCC2.Cl,"InChI=1S/C11H16N2.ClH/c1-9-8-10(12)4-5-11(9)13-6-2-3-7-13;/h4-5,8H,2-3,6-7,12H2,1H3;1H",TYYWITYEVLLJLH-UHFFFAOYSA-N,C11H17ClN2,212.72,212.1080262,,29.3,163,0,2,2,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1)Benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione, 1-(2-(dimethylamino)ethyl)-3,8-dimethoxy-",602-07-3,215159,"5-[2-(dimethylamino)ethyl]-7,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione",CN(C)CCC1=CC(=C2C3=C1C(=O)OC4=C(C=CC(=C34)C(=O)O2)OC)OC,"InChI=1S/C20H19NO6/c1-21(2)8-7-10-9-13(25-4)18-16-14(10)20(23)27-17-12(24-3)6-5-11(15(16)17)19(22)26-18/h5-6,9H,7-8H2,1-4H3",MTAWKURMWOXCEO-UHFFFAOYSA-N,C20H19NO6,369.4,369.1212373,2.8,74.3,595,0,0,7,5,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Ellagic Acid,000476-66-4,5281855,"6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione",C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O,"InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H",AFSDNFLWKVMVRB-UHFFFAOYSA-N,C14H6O8,302.19,302.0062672,1.1,134,475,0,4,8,0,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
7-BUTYL-2-OXEPANONE,005579-78-2,62583,7-butyloxepan-2-one,CCCCC1CCCCC(=O)O1,"InChI=1S/C10H18O2/c1-2-3-6-9-7-4-5-8-10(11)12-9/h9H,2-8H2,1H3",YKVIWISPFDZYOW-UHFFFAOYSA-N,C10H18O2,170.25,170.1306798,2.8,26.3,143,0,0,2,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
EPSILON-CAPROLACTONE,000502-44-3,10401,oxepan-2-one,C1CCC(=O)OCC1,InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2,PAPBSGBWRJIAAV-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,0,26.3,88,0,0,2,0,8,127 °C o.c.,237 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-AMINO-5-PHENYL-1,3,4-THIADIAZOLE SULFATE",340169-03-1,16213087,"5-phenyl-1,3,4-thiadiazol-2-amine;sulfuric acid",C1=CC=C(C=C1)C2=NN=C(S2)N.OS(=O)(=O)O,"InChI=1S/C8H7N3S.H2O4S/c9-8-11-10-7(12-8)6-4-2-1-3-5-6;1-5(2,3)4/h1-5H,(H2,9,11);(H2,1,2,3,4)",ANBJJAROENDFHC-UHFFFAOYSA-N,C8H9N3O4S2,275.3,275.0034481,,163,229,0,3,8,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Oxazole, 4,5-dihydro-2-(3,4-dimethoxyphenyl)-4,4-dimethyl-",57193-17-6,2779168,"2-(3,4-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole",CC1(COC(=N1)C2=CC(=C(C=C2)OC)OC)C,"InChI=1S/C13H17NO3/c1-13(2)8-17-12(14-13)9-5-6-10(15-3)11(7-9)16-4/h5-7H,8H2,1-4H3",LLBMTOGCQQKFAR-UHFFFAOYSA-N,C13H17NO3,235.28,235.1208434,2,40.1,301,0,0,4,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DICHLORO-4-(2,4,6-TRIPHENYL-1-PYRIDINIO)PHENOLATE",121792-58-3,4112086,"2,6-dichloro-4-(2,4,6-triphenylpyridin-1-ium-1-yl)phenolate",C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=CC(=C(C(=C4)Cl)[O-])Cl)C5=CC=CC=C5,InChI=1S/C29H19Cl2NO/c30-25-18-24(19-26(31)29(25)33)32-27(21-12-6-2-7-13-21)16-23(20-10-4-1-5-11-20)17-28(32)22-14-8-3-9-15-22/h1-19H,UTXYWXPNUCOENT-UHFFFAOYSA-N,C29H19Cl2NO,468.4,467.0843696,9.1,26.9,558,0,0,1,4,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIDINIUM, 1-(4-HYDROXYPHENYL)-2,4,6-TRIPHENYL-, INNER SALT",017658-06-9,87214,"4-(2,4,6-triphenylpyridin-1-ium-1-yl)phenolate",C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)[O-])C5=CC=CC=C5,InChI=1S/C29H21NO/c31-27-18-16-26(17-19-27)30-28(23-12-6-2-7-13-23)20-25(22-10-4-1-5-11-22)21-29(30)24-14-8-3-9-15-24/h1-21H,XYKMESYITRVGTA-UHFFFAOYSA-N,C29H21NO,399.5,399.1623143,7.9,26.9,495,0,0,1,4,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DIAMINO-6-MERCAPTOPYRIMIDINE SULFATE SALT",307496-37-3,16213803,"2,6-diamino-1H-pyrimidine-4-thione;sulfuric acid",C1=C(NC(=NC1=S)N)N.OS(=O)(=O)O,"InChI=1S/C4H6N4S.H2O4S/c5-2-1-3(9)8-4(6)7-2;1-5(2,3)4/h1H,(H5,5,6,7,8,9);(H2,1,2,3,4)",FVSVUQJNAZQSFX-UHFFFAOYSA-N,C4H8N4O4S2,240.3,239.9986971,,192,286,0,5,6,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-DIAMINO-6-MERCAPTOPYRIMIDINE HEMISULFATE",081012-96-6,2723621,"2,6-diamino-1H-pyrimidine-4-thione",C1=C(NC(=NC1=S)N)N,"InChI=1S/C4H6N4S/c5-2-1-3(9)8-4(6)7-2/h1H,(H5,5,6,7,8,9)",SOUUDGAWOJKDRN-UHFFFAOYSA-N,C4H6N4S,142.19,142.0313174,-1.2,109,205,0,3,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6,13-BIS(TRIISOPROPYLSILYLETHYNYL) PENTACENE",373596-08-8,15530606,tri(propan-2-yl)-[2-[13-[2-tri(propan-2-yl)silylethynyl]pentacen-6-yl]ethynyl]silane,CC(C)[Si](C#CC1=C2C=C3C=CC=CC3=CC2=C(C4=CC5=CC=CC=C5C=C41)C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C,"InChI=1S/C44H54Si2/c1-29(2)45(30(3)4,31(5)6)23-21-39-41-25-35-17-13-15-19-37(35)27-43(41)40(22-24-46(32(7)8,33(9)10)34(11)12)44-28-38-20-16-14-18-36(38)26-42(39)44/h13-20,25-34H,1-12H3",FMZQNTNMBORAJM-UHFFFAOYSA-N,C44H54Si2,639.1,638.3764048,,0,986,0,0,0,10,46,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6,13-BIS((TRIETHYLSILYL)ETHYNYL)PENTACENE",398128-81-9,15530603,trimethyl-[2-[13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane,C[Si](C)(C)C#CC1=C2C=C3C=CC=CC3=CC2=C(C4=CC5=CC=CC=C5C=C41)C#C[Si](C)(C)C,"InChI=1S/C32H30Si2/c1-33(2,3)17-15-27-29-19-23-11-7-9-13-25(23)21-31(29)28(16-18-34(4,5)6)32-22-26-14-10-8-12-24(26)20-30(27)32/h7-14,19-22H,1-6H3",MYKQRRZJBVVBMU-UHFFFAOYSA-N,C32H30Si2,470.7,470.188604,,0,762,0,0,0,4,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(S)-[2,2'-BIS(DIPHENYLPHOSPHINO)-1,1'- BINAPHTHYL]DICHLORORUTHENIUM",134524-84-8,11136527,dichlororuthenium;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane,C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.Cl[Ru]Cl,InChI=1S/C44H32P2.2ClH.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;;;/h1-32H;2*1H;/q;;;+2/p-2,YEKBVMDAGDTOQB-UHFFFAOYSA-L,C44H32Cl2P2Ru,794.6,794.039971,,0,800,0,0,0,7,49,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(S)-(-)-2,2'-BIS(DIPHENYLPHOSPHINO)-1,1'-BINAPHTHYL",076189-56-5,634876,[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane,C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8,InChI=1S/C44H32P2/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H,MUALRAIOVNYAIW-UHFFFAOYSA-N,C44H32P2,622.7,622.197925,11.4,0,797,0,0,0,7,46,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"LITHIUM 1,1,2,2,3,3-HEXAFLUOROPROPANE-1,3-DISULFONIMIDE",189217-62-7,44630347,"lithium 4,4,5,5,6,6-hexafluoro-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide",[Li+].C1(C(S(=O)(=O)[N-]S(=O)(=O)C1(F)F)(F)F)(F)F,"InChI=1S/C3F6NO4S2.Li/c4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9;/q-1;+1",VKQJSJGVEJXINS-UHFFFAOYSA-N,C3F6LiNO4S2,299.1,298.9332972,,86,468,0,0,11,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-DIHYDRO-1,3,3-TRIMETHYLSPIRO[2H-INDOLE-2,3'-[3H]NAPHTH[2,1-B][1,4]OXAZINE]",027333-47-7,594662,"1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]",CC1(C2=CC=CC=C2N(C13C=NC4=C(O3)C=CC5=CC=CC=C54)C)C,"InChI=1S/C22H20N2O/c1-21(2)17-10-6-7-11-18(17)24(3)22(21)14-23-20-16-9-5-4-8-15(16)12-13-19(20)25-22/h4-14H,1-3H3",CQTRKDFIQFOAQV-UHFFFAOYSA-N,C22H20N2O,328.4,328.1575633,5.1,24.8,558,0,0,3,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BENZYL-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM CHLORIDE,004568-71-2,2833352,"2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol chloride",CC1=C(SC=[N+]1CC2=CC=CC=C2)CCO.[Cl-],"InChI=1S/C13H16NOS.ClH/c1-11-13(7-8-15)16-10-14(11)9-12-5-3-2-4-6-12;/h2-6,10,15H,7-9H2,1H3;1H/q+1;/p-1",IWSVLBKHBJGMAA-UHFFFAOYSA-M,C13H16ClNOS,269.79,269.064113,,52.4,206,0,1,3,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BENZYLTHIAZOLIUM BROMIDE,075066-50-1,11608558,"3-benzyl-1,3-thiazol-3-ium bromide",C1=CC=C(C=C1)C[N+]2=CSC=C2.[Br-],"InChI=1S/C10H10NS.BrH/c1-2-4-10(5-3-1)8-11-6-7-12-9-11;/h1-7,9H,8H2;1H/q+1;/p-1",BVVXTLWKNXVYDS-UHFFFAOYSA-M,C10H10BrNS,256.16,254.97173,,32.1,132,0,0,2,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-METHYL-1,2,3-TRIAZOLE",016681-65-5,140119,1-methyltriazole,CN1C=CN=N1,"InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3",JWAWEQBUZOGIBZ-UHFFFAOYSA-N,C3H5N3,83.09,83.04834717,-0.3,30.7,45,0,0,2,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N'-BIS(2,5-DI-TERT-BUTYLPHENYL)-3,4,9,10-PERYLENEDICARBOXIMIDE",083054-80-2,158299,"7,18-bis(2,5-ditert-butylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone",CC(C)(C)C1=CC(=C(C=C1)C(C)(C)C)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)C9=C(C=CC(=C9)C(C)(C)C)C(C)(C)C)C2=O,"InChI=1S/C52H50N2O4/c1-49(2,3)27-13-23-37(51(7,8)9)39(25-27)53-45(55)33-19-15-29-31-17-21-35-44-36(22-18-32(42(31)44)30-16-20-34(46(53)56)43(33)41(29)30)48(58)54(47(35)57)40-26-28(50(4,5)6)14-24-38(40)52(10,11)12/h13-26H,1-12H3",BIYPCKKQAHLMHG-UHFFFAOYSA-N,C52H50N2O4,767,766.3770581,13.5,74.8,1480,0,0,4,6,58,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PERYLRNR RED BL (C.I. PIGMENT RED 149),004948-15-6,62555,"7,18-bis(3,5-dimethylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone",CC1=CC(=CC(=C1)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)C9=CC(=CC(=C9)C)C)C2=O)C,"InChI=1S/C40H26N2O4/c1-19-13-20(2)16-23(15-19)41-37(43)29-9-5-25-27-7-11-31-36-32(40(46)42(39(31)45)24-17-21(3)14-22(4)18-24)12-8-28(34(27)36)26-6-10-30(38(41)44)35(29)33(25)26/h5-18H,1-4H3",FDXVHZCFTCIKDD-UHFFFAOYSA-N,C40H26N2O4,598.6,598.1892573,8.3,74.8,1130,0,0,4,2,46,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"3,6-DIPHENYL-1,2,4,5-TETRAZINE",006830-78-0,23263,"3,6-diphenyl-1,2,4,5-tetrazine",C1=CC=C(C=C1)C2=NN=C(N=N2)C3=CC=CC=C3,InChI=1S/C14H10N4/c1-3-7-11(8-4-1)13-15-17-14(18-16-13)12-9-5-2-6-10-12/h1-10H,XAUWSIIGUUMHQQ-UHFFFAOYSA-N,C14H10N4,234.26,234.0905463,1.9,51.6,212,0,0,4,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CLOFENTEZINE (3,6-BIS(2-CHLOROPHENYL)-1,2,4,5-TETRAZINE)",074115-24-5,73670,"3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine",C1=CC=C(C(=C1)C2=NN=C(N=N2)C3=CC=CC=C3Cl)Cl,InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H,UXADOQPNKNTIHB-UHFFFAOYSA-N,C14H8Cl2N4,303.1,302.0126017,3.2,51.6,280,0,0,4,2,20,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"DIETHYL 1,4-DIHYDRO-2,6-DIMETHYL-3,5-PYRIDINEDICARBOXYLATE",001149-23-1,70849,"diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",CCOC(=O)C1=C(NC(=C(C1)C(=O)OCC)C)C,"InChI=1S/C13H19NO4/c1-5-17-12(15)10-7-11(13(16)18-6-2)9(4)14-8(10)3/h14H,5-7H2,1-4H3",LJXTYJXBORAIHX-UHFFFAOYSA-N,C13H19NO4,253.29,253.1314081,1.8,64.6,383,0,1,5,6,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,4,6-TRIMETHYL-, DIETHYL ESTER",000632-93-9,12446,"diethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate",CCOC(=O)C1=C(NC(=C(C1C)C(=O)OCC)C)C,"InChI=1S/C14H21NO4/c1-6-18-13(16)11-8(3)12(14(17)19-7-2)10(5)15-9(11)4/h8,15H,6-7H2,1-5H3",CDVAIHNNWWJFJW-UHFFFAOYSA-N,C14H21NO4,267.32,267.1470582,2.2,64.6,408,0,1,5,6,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BENZYL-3-METHYLIMIDAZOLIUM CHLORIDE,036443-80-8,10560335,1-benzyl-3-methylimidazol-3-ium chloride,C[N+]1=CN(C=C1)CC2=CC=CC=C2.[Cl-],"InChI=1S/C11H13N2.ClH/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;/h2-8,10H,9H2,1H3;1H/q+1;/p-1",FCRZSGZCOGHOGF-UHFFFAOYSA-M,C11H13ClN2,208.69,208.0767261,,8.8,152,0,0,1,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-BENZYL-3-METHYLIMIDAZOLIUM TETRAFLUOROBORATE,500996-04-3,12138923,1-benzyl-3-methylimidazol-3-ium tetrafluoroborate,[B-](F)(F)(F)F.C[N+]1=CN(C=C1)CC2=CC=CC=C2,"InChI=1S/C11H13N2.BF4/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;2-1(3,4)5/h2-8,10H,9H2,1H3;/q+1;-1",QULDEUUWXMCUFO-UHFFFAOYSA-N,C11H13BF4N2,260.04,260.1107912,,8.8,171,0,0,5,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE",329214-79-1,2734656,"3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine",B1(OC(C(O1)(C)C)(C)C)C2=CN=CC=C2,"InChI=1S/C11H16BNO2/c1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9/h5-8H,1-4H3",XEMDFESAXKSEGI-UHFFFAOYSA-N,C11H16BNO2,205.06,205.1274089,,31.4,227,0,0,3,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-AMINE",827614-64-2,2756555,"5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine",B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N,"InChI=1S/C11H17BN2O2/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8/h5-7H,1-4H3,(H2,13,14)",YFTAUNOLAHRUIE-UHFFFAOYSA-N,C11H17BN2O2,220.08,220.138308,,57.4,255,0,1,4,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-[[(4-FLUOROPHENYL)SULFONYL]METHYLAMINO]-1,2,3,4-TETRAHYDRO-9H-CARBAZOLE-9-ACETIC ACID",844639-57-2,11384493,"2-[3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid",CN(C1CCC2=C(C1)C3=CC=CC=C3N2CC(=O)O)S(=O)(=O)C4=CC=C(C=C4)F,"InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)",CANCTKXGRVNXFP-UHFFFAOYSA-N,C21H21FN2O4S,416.5,416.1206065,3.4,88,704,0,1,6,5,29,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"9H-Carbazole-9-propanoic acid, 3-(((4-fluorophenyl)sulfonyl)amino)-1,2,3,4-tetrahydro-, (3R)-",116649-85-5,123879,"3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid",C1CC2=C(C[C@@H]1NS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4N2CCC(=O)O,"InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1",LDXDSHIEDAPSSA-OAHLLOKOSA-N,C21H21FN2O4S,416.5,416.1206065,2.9,96.8,689,0,2,6,6,29,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(METHYLENEBIS(SULPHONYL))BISBENZENE,003406-02-8,76948,benzenesulfonylmethylsulfonylbenzene,C1=CC=C(C=C1)S(=O)(=O)CS(=O)(=O)C2=CC=CC=C2,"InChI=1S/C13H12O4S2/c14-18(15,12-7-3-1-4-8-12)11-19(16,17)13-9-5-2-6-10-13/h1-10H,11H2",QCHNSJNRFSOCLJ-UHFFFAOYSA-N,C13H12O4S2,296.4,296.0177012,2.2,85,424,0,0,4,4,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BIS-(TOLUENE-4-SULFONYL)-METHANE,015310-28-8,275690,1-methyl-4-[(4-methylphenyl)sulfonylmethylsulfonyl]benzene,CC1=CC=C(C=C1)S(=O)(=O)CS(=O)(=O)C2=CC=C(C=C2)C,"InChI=1S/C15H16O4S2/c1-12-3-7-14(8-4-12)20(16,17)11-21(18,19)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3",XLOXYWLRAKCDQL-UHFFFAOYSA-N,C15H16O4S2,324.4,324.0490013,2.9,85,473,0,0,4,4,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PHLORIZIN, DIHYDRATE",007061-54-3,9912668,"1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one;dihydrate",C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O.O.O,"InChI=1S/C21H24O10.2H2O/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10;;/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2;2*1H2/t16-,18-,19+,20-,21-;;/m1../s1",XQWBNXSENPTIDY-YXMARJSJSA-N,C21H28O12,472.4,472.1580763,,179,581,0,9,12,7,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-ANTHRACENEDIONE, 2,3-DIHYDRO-1,4,5,8-TETRAHYDROXY-",000081-59-4,66485,"5,8,9,10-tetrahydroxy-2,3-dihydroanthracene-1,4-dione",C1CC(=O)C2=C(C3=C(C=CC(=C3C(=C2C1=O)O)O)O)O,"InChI=1S/C14H10O6/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-2,15-16,19-20H,3-4H2",QJQPINQAQJTYMH-UHFFFAOYSA-N,C14H10O6,274.22,274.047738,2,115,395,0,4,6,0,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-ANTHRACENEDIONE, 2,3-DIHYDRO-9,10-DIHYDROXY-",017648-03-2,87211,"9,10-dihydroxy-2,3-dihydroanthracene-1,4-dione",C1CC(=O)C2=C(C3=CC=CC=C3C(=C2C1=O)O)O,"InChI=1S/C14H10O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-4,17-18H,5-6H2",FVXPBEUYCCZFJT-UHFFFAOYSA-N,C14H10O4,242.23,242.0579088,2.8,74.6,342,0,2,4,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"6-AZULENOL, 1,2,3,3A,4,5,6,8A-OCTAHYDRO-4,8-DIMETHYL-2-(1-METHYLETHYLIDENE)-",000089-88-3,101549,"4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-ol",CC1CC(C=C(C2C1CC(=C(C)C)C2)C)O,"InChI=1S/C15H24O/c1-9(2)12-7-14-10(3)5-13(16)6-11(4)15(14)8-12/h5,11,13-16H,6-8H2,1-4H3",INIOTLARNNSXAE-UHFFFAOYSA-N,C15H24O,220.35,220.1827154,3,20.2,333,0,1,1,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"6-AZULENOL, 1,2,3,3A,4,5,6,8A-OCTAHYDRO-4,8-DIMETHYL-2-(1-METHYLETHYLIDENE)-,",000117-98-6,8347,"(4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-yl) acetate",CC1CC(C=C(C2C1CC(=C(C)C)C2)C)OC(=O)C,"InChI=1S/C17H26O2/c1-10(2)14-8-16-11(3)6-15(19-13(5)18)7-12(4)17(16)9-14/h6,12,15-17H,7-9H2,1-5H3",UAVFEMBKDRODDE-UHFFFAOYSA-N,C17H26O2,262.4,262.1932801,3.6,26.3,427,0,0,2,2,19,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-NAPHTHALENECARBOXYLIC ACID, 3-HYDROXY-, PHENYL ESTER",007260-11-9,81680,phenyl 3-hydroxynaphthalene-2-carboxylate,C1=CC=C(C=C1)OC(=O)C2=CC3=CC=CC=C3C=C2O,"InChI=1S/C17H12O3/c18-16-11-13-7-5-4-6-12(13)10-15(16)17(19)20-14-8-2-1-3-9-14/h1-11,18H",SRMZHGJLSDITLO-UHFFFAOYSA-N,C17H12O3,264.27,264.0786442,4.8,46.5,335,0,1,3,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENECARBOXYLIC ACID, 1-HYDROXY-, PHENYL ESTER",000132-54-7,67236,phenyl 1-hydroxynaphthalene-2-carboxylate,C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3C=C2)O,"InChI=1S/C17H12O3/c18-16-14-9-5-4-6-12(14)10-11-15(16)17(19)20-13-7-2-1-3-8-13/h1-11,18H",QHDYIMWKSCJTIM-UHFFFAOYSA-N,C17H12O3,264.27,264.0786442,4.8,46.5,335,0,1,3,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,5-TRITHIANE, 2,2,4,4,6,6-HEXAMETHYL-",000828-26-2,13233,"2,2,4,4,6,6-hexamethyl-1,3,5-trithiane",CC1(SC(SC(S1)(C)C)(C)C)C,"InChI=1S/C9H18S3/c1-7(2)10-8(3,4)12-9(5,6)11-7/h1-6H3",NBNWHQAWKFYFKI-UHFFFAOYSA-N,C9H18S3,222.4,222.0570641,4.1,75.9,131,0,0,3,0,12,,105.00 to 107.00 °C. @ 10.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIDINE, 3-PHENYL-",001008-88-4,13886,3-phenylpyridine,C1=CC=C(C=C1)C2=CN=CC=C2,InChI=1S/C11H9N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-9H,HJKGBRPNSJADMB-UHFFFAOYSA-N,C11H9N,155.2,155.0734993,2.5,12.9,127,0,0,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 2-amino-5-phenyl-",33421-40-8,105097,5-phenylpyridin-2-amine,C1=CC=C(C=C1)C2=CN=C(C=C2)N,"InChI=1S/C11H10N2/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h1-8H,(H2,12,13)",OAPVIBHQRYFYSE-UHFFFAOYSA-N,C11H10N2,170.21,170.0843983,2.3,38.9,152,0,1,2,1,13,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-OXATRICYCLO[8.2.0.04,6]DODECANE, 4,12,12-TRIMETHYL-3-METHYLENE-[1R-(1R*,4R*,",001139-30-6,1742210,"(1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane",C[C@@]12CC[C@@H]3[C@H](CC3(C)C)C(=C)CC[C@H]1O2,"InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1",NVEQFIOZRFFVFW-RGCMKSIDSA-N,C15H24O,220.35,220.1827154,3.6,12.5,330,0,0,1,0,16,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"5-OXATRICYCLO[8.2.0.04,6]DODECANE, 4,12,12-TRIMETHYL-9-METHYLENE-",017627-43-9,14350,"4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane",CC1(CC2C1CCC3(C(O3)CCC2=C)C)C,"InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3",NVEQFIOZRFFVFW-UHFFFAOYSA-N,C15H24O,220.35,220.1827154,3.6,12.5,330,0,0,1,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,8,9-TRIOXA-5-AZA-1-SILABICYCLO[3.3.3]UNDECANE, 1-METHYL-",002288-13-3,16797,"1-methyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane",C[Si]12OCCN(CCO1)CCO2,"InChI=1S/C7H15NO3Si/c1-12-9-5-2-8(3-6-10-12)4-7-11-12/h2-7H2,1H3",DZLQWMNVOBAZGC-UHFFFAOYSA-N,C7H15NO3Si,189.28,189.0821199,,30.9,140,0,0,4,0,12,"greater than 305.6 °F (NTP, 1992)","345 °F at 31 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3-aminopropyl)-",17869-27-1,205377,"3-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propan-1-amine",C1CO[Si]2(OCCN1CCO2)CCCN,InChI=1S/C9H20N2O3Si/c10-2-1-9-15-12-6-3-11(4-7-13-15)5-8-14-15/h1-10H2,BVWMLPXXYGTRHW-UHFFFAOYSA-N,C9H20N2O3Si,232.35,232.124319,,57,179,0,1,5,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1,1'-Biphenyl)-2,2'-disulfonic acid, 4,4'-bis((2-hydroxy-1-naphthalenyl)azo)-, disodium salt",10169-02-5,25026,disodium;5-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-sulfonatophenyl]benzenesulfonate,C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC(=C(C=C3)C4=C(C=C(C=C4)N=NC5=C(C=CC6=CC=CC=C65)O)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+],"InChI=1S/C32H22N4O8S2.2Na/c37-27-15-9-19-5-1-3-7-23(19)31(27)35-33-21-11-13-25(29(17-21)45(39,40)41)26-14-12-22(18-30(26)46(42,43)44)34-36-32-24-8-4-2-6-20(24)10-16-28(32)38;;/h1-18,37-38H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",JCEBMROGCIEFRX-UHFFFAOYSA-L,C32H20N4Na2O8S2,698.6,698.0517945,,221,1190,0,2,12,5,48,,,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,5-TRIAZINE-2,4(1H,3H)-DITHIONE, 6-AMINO-",002770-75-4,2747564,"6-amino-1H-1,3,5-triazine-2,4-dithione",C1(=NC(=S)NC(=S)N1)N,"InChI=1S/C3H4N4S2/c4-1-5-2(8)7-3(9)6-1/h(H4,4,5,6,7,8,9)",QQLZTRHXUSFZOM-UHFFFAOYSA-N,C3H4N4S2,160.2,159.9877385,-0.3,127,196,0,3,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,5-TRIAZINE-2,4(1H,3H)-DITHIONE, 6-(DIBUTYLAMINO)-",029529-99-5,3035346,"6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione",CCCCN(CCCC)C1=NC(=S)NC(=S)N1,"InChI=1S/C11H20N4S2/c1-3-5-7-15(8-6-4-2)9-12-10(16)14-11(17)13-9/h3-8H2,1-2H3,(H2,12,13,14,16,17)",IXDGHAZCSMVIFX-UHFFFAOYSA-N,C11H20N4S2,272.4,272.112939,2.8,104,307,0,2,2,7,17,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"BENZALDEHYDE, 4-(DIETHYLAMINO)-, DIPHENYLHYDRAZONE",068189-23-1,92377,"4-[(diphenylhydrazinylidene)methyl]-N,N-diethylaniline",CCN(CC)C1=CC=C(C=C1)C=NN(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C23H25N3/c1-3-25(4-2)21-17-15-20(16-18-21)19-24-26(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-19H,3-4H2,1-2H3",YGBCLRRWZQSURU-UHFFFAOYSA-N,C23H25N3,343.5,343.2048478,6.1,18.8,380,0,0,3,7,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ANTHRACENE, 1-CHLORO-9,10-BIS(PHENYLETHYNYL)-",041105-35-5,170465,"1-chloro-9,10-bis(2-phenylethynyl)anthracene",C1=CC=C(C=C1)C#CC2=C3C=CC=C(C3=C(C4=CC=CC=C42)C#CC5=CC=CC=C5)Cl,InChI=1S/C30H17Cl/c31-29-17-9-16-27-26(20-18-22-10-3-1-4-11-22)24-14-7-8-15-25(24)28(30(27)29)21-19-23-12-5-2-6-13-23/h1-17H,IMMCAKJISYGPDQ-UHFFFAOYSA-N,C30H17Cl,412.9,412.1018782,9.1,0,727,0,0,0,4,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ANTHRACENE, 9,10-BIS(PHENYLETHYNYL)-",010075-85-1,82338,"9,10-bis(2-phenylethynyl)anthracene",C1=CC=C(C=C1)C#CC2=C3C=CC=CC3=C(C4=CC=CC=C42)C#CC5=CC=CC=C5,InChI=1S/C30H18/c1-3-11-23(12-4-1)19-21-29-25-15-7-9-17-27(25)30(28-18-10-8-16-26(28)29)22-20-24-13-5-2-6-14-24/h1-18H,ZHBOFZNNPZNWGB-UHFFFAOYSA-N,C30H18,378.5,378.1408506,8.5,0,605,0,0,0,4,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenesulfonamide, N-8-quinolinyl-",16082-59-0,161167,N-quinolin-8-ylbenzenesulfonamide,C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=C2N=CC=C3,"InChI=1S/C15H12N2O2S/c18-20(19,13-8-2-1-3-9-13)17-14-10-4-6-12-7-5-11-16-15(12)14/h1-11,17H",FEBBZFJWAMUFPI-UHFFFAOYSA-N,C15H12N2O2S,284.3,284.0619488,1.8,67.4,412,0,1,4,3,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-INDOLE, 1,2-DIPHENYL-",018434-12-3,87638,"1,2-diphenylindole",C1=CC=C(C=C1)C2=CC3=CC=CC=C3N2C4=CC=CC=C4,InChI=1S/C20H15N/c1-3-9-16(10-4-1)20-15-17-11-7-8-14-19(17)21(20)18-12-5-2-6-13-18/h1-15H,BRIKLJCDBBFRAE-UHFFFAOYSA-N,C20H15N,269.3,269.1204495,5.3,4.9,327,0,0,0,2,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-INDOLE-3-CARBOXALDEHYDE, 1,2-DIPHENYL-",029329-99-5,121813,"1,2-diphenylindole-3-carbaldehyde",C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2C4=CC=CC=C4)C=O,InChI=1S/C21H15NO/c23-15-19-18-13-7-8-14-20(18)22(17-11-5-2-6-12-17)21(19)16-9-3-1-4-10-16/h1-15H,VSWUURYDUFEIQQ-UHFFFAOYSA-N,C21H15NO,297.3,297.1153641,4.8,22,397,0,0,1,3,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-BENZIMIDAZOLIUM, 5,6-DICHLORO-1,3-DIETHYL-2-METHYL-, IODIDE",024351-12-0,90476,"5,6-dichloro-1,3-diethyl-2-methylbenzimidazol-3-ium iodide",CCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CC)C.[I-],"InChI=1S/C12H15Cl2N2.HI/c1-4-15-8(3)16(5-2)12-7-10(14)9(13)6-11(12)15;/h6-7H,4-5H2,1-3H3;1H/q+1;/p-1",MPVVLNVZVJCCOQ-UHFFFAOYSA-M,C12H15Cl2IN2,385.07,383.9657,,8.8,225,0,0,1,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzimidazolium, 1,2,3-trimethyl-, iodide",3805-38-7,199168,"1,2,3-trimethylbenzimidazol-3-ium iodide",CC1=[N+](C2=CC=CC=C2N1C)C.[I-],"InChI=1S/C10H13N2.HI/c1-8-11(2)9-6-4-5-7-10(9)12(8)3;/h4-7H,1-3H3;1H/q+1;/p-1",RDSICPYJALLFAN-UHFFFAOYSA-M,C10H13IN2,288.13,288.01235,,8.8,151,0,0,1,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-THIAZOLIDINEACETIC ACID, 5-[(3-METHYL-2-THIAZOLIDINYLIDENE)ETHYLIDENE]-4-OXO",065152-09-2,103296,"2-[5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid",CN1CCSC1=CC=C2C(=O)N(C(=S)S2)CC(=O)O,"InChI=1S/C11H12N2O3S3/c1-12-4-5-18-8(12)3-2-7-10(16)13(6-9(14)15)11(17)19-7/h2-3H,4-6H2,1H3,(H,14,15)",AMSAICQWZZDCEM-UHFFFAOYSA-N,C11H12N2O3S3,316.4,316.0010058,2,144,501,0,1,7,3,19,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"3-THIAZOLIDINEACETIC ACID, 5-[1-METHYL-2-(3-METHYL-2-THIAZOLIDINYLIDENE)ETHYLI",025651-76-7,117588,"2-[5-[1-(3-methyl-1,3-thiazolidin-2-ylidene)propan-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid",CC(=C1C(=O)N(C(=S)S1)CC(=O)O)C=C2N(CCS2)C,"InChI=1S/C12H14N2O3S3/c1-7(5-8-13(2)3-4-19-8)10-11(17)14(6-9(15)16)12(18)20-10/h5H,3-4,6H2,1-2H3,(H,15,16)",LNKNWPNGZMWPFA-UHFFFAOYSA-N,C12H14N2O3S3,330.5,330.0166558,2.6,144,542,0,1,7,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,8,10-TETRAOXA-3,9-DIPHOSPHASPIRO[5.5]UNDECANE, 3,9-BIS[2,4-BIS(1,1-DIMETHY",026741-53-7,93101,"3,9-bis(2,4-ditert-butylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane",CC(C)(C)C1=CC(=C(C=C1)OP2OCC3(CO2)COP(OC3)OC4=C(C=C(C=C4)C(C)(C)C)C(C)(C)C)C(C)(C)C,"InChI=1S/C33H50O6P2/c1-29(2,3)23-13-15-27(25(17-23)31(7,8)9)38-40-34-19-33(20-35-40)21-36-41(37-22-33)39-28-16-14-24(30(4,5)6)18-26(28)32(10,11)12/h13-18H,19-22H2,1-12H3",AIBRSVLEQRWAEG-UHFFFAOYSA-N,C33H50O6P2,604.7,604.3082633,9.9,55.4,764,0,0,6,8,41,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,8,10-TETRAOXA-3,9-DIPHOSPHASPIRO[5.5]UNDECANE, 3,9-BIS[2,6-BIS(1,1-DIMETHY",080693-00-1,3601357,"3,9-bis(2,6-ditert-butyl-4-methylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane",CC1=CC(=C(C(=C1)C(C)(C)C)OP2OCC3(CO2)COP(OC3)OC4=C(C=C(C=C4C(C)(C)C)C)C(C)(C)C)C(C)(C)C,"InChI=1S/C35H54O6P2/c1-23-15-25(31(3,4)5)29(26(16-23)32(6,7)8)40-42-36-19-35(20-37-42)21-38-43(39-22-35)41-30-27(33(9,10)11)17-24(2)18-28(30)34(12,13)14/h15-18H,19-22H2,1-14H3",SSADPHQCUURWSW-UHFFFAOYSA-N,C35H54O6P2,632.7,632.3395634,10.6,55.4,774,0,0,6,8,43,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-BENZENEDICARBOXYLIC ACID, BIS(3,3,5-TRIMETHYLCYCLOHEXYL) ESTER",037832-65-8,98024,"bis(3,3,5-trimethylcyclohexyl) benzene-1,2-dicarboxylate",CC1CC(CC(C1)(C)C)OC(=O)C2=CC=CC=C2C(=O)OC3CC(CC(C3)(C)C)C,"InChI=1S/C26H38O4/c1-17-11-19(15-25(3,4)13-17)29-23(27)21-9-7-8-10-22(21)24(28)30-20-12-18(2)14-26(5,6)16-20/h7-10,17-20H,11-16H2,1-6H3",ATHBXDPWCKSOLE-UHFFFAOYSA-N,C26H38O4,414.6,414.2770097,7.8,52.6,569,0,0,4,6,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NAPHTHO[1,2-D]THIAZOLIUM, 1-ETHYL-2-METHYL-, SALT WITH 4-METHYLBENZENESULFONIC",042952-29-4,170709,"1-ethyl-2-methylbenzo[e][1,3]benzothiazol-1-ium;4-methylbenzenesulfonate",CC[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)C.CC1=CC=C(C=C1)S(=O)(=O)[O-],"InChI=1S/C14H14NS.C7H8O3S/c1-3-15-10(2)16-13-9-8-11-6-4-5-7-12(11)14(13)15;1-6-2-4-7(5-3-6)11(8,9)10/h4-9H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",KTTNCJKZKIRUTI-UHFFFAOYSA-M,C21H21NO3S2,399.5,399.0962859,,97.7,448,0,0,4,1,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NAPHTHO[1,2-D]THIAZOLIUM, 1,2-DIMETHYL-, SALT WITH 4-METHYLBENZENESULFONIC ACI",058480-17-4,94079,"1,2-dimethylbenzo[e][1,3]benzothiazol-1-ium;4-methylbenzenesulfonate",CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=C(S1)C=CC3=CC=CC=C32)C,"InChI=1S/C13H12NS.C7H8O3S/c1-9-14(2)13-11-6-4-3-5-10(11)7-8-12(13)15-9;1-6-2-4-7(5-3-6)11(8,9)10/h3-8H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",WMJPMFYZKNZOQC-UHFFFAOYSA-M,C20H19NO3S2,385.5,385.0806358,,97.7,436,0,0,4,0,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5H-TETRAZOLE-5-THIONE, 1,2-DIHYDRO-1-METHYL-, SODIUM SALT",051138-06-8,2723771,sodium 1-methyltetrazole-5-thiolate,CN1C(=NN=N1)[S-].[Na+],"InChI=1S/C2H4N4S.Na/c1-6-2(7)3-4-5-6;/h1H3,(H,3,5,7);/q;+1/p-1",OUHLMDFGPKSIAL-UHFFFAOYSA-M,C2H3N4NaS,138.13,137.9976116,,44.6,71,0,0,4,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-PYRAN, TETRAHYDRO-4-METHYLENE-2-(2-METHYL-1-PROPENYL)-",060857-05-8,108520,4-methylidene-2-(2-methylprop-1-enyl)oxane,CC(=CC1CC(=C)CCO1)C,"InChI=1S/C10H16O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,10H,3-5,7H2,1-2H3",JRIATCFPZFOVNP-UHFFFAOYSA-N,C10H16O,152.23,152.1201151,2.4,9.2,175,0,0,1,1,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Pyran, tetrahydro-4-methylene-",36838-71-8,548975,4-methylideneoxane,C=C1CCOCC1,InChI=1S/C6H10O/c1-6-2-4-7-5-3-6/h1-5H2,NSELYKZLLNWRED-UHFFFAOYSA-N,C6H10O,98.14,98.07316494,0.8,9.2,68,0,0,1,0,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"BENZOXAZOLIUM, 2-METHYL-5-PHENYL-3-(3-SULFOPROPYL)-, INNER SALT",066142-15-2,105286,"3-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonate",CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)[O-],"InChI=1S/C17H17NO4S/c1-13-18(10-5-11-23(19,20)21)16-12-15(8-9-17(16)22-13)14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11H2,1H3",DKMBQSTXNOURJD-UHFFFAOYSA-N,C17H17NO4S,331.4,331.0878292,3,82.6,470,0,0,4,4,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOXAZOLIUM, 3-ETHYL-2-METHYL-5-PHENYL-, ETHYL SULFATE",063870-49-5,11760250,"3-ethyl-2-methyl-5-phenyl-1,3-benzoxazol-3-ium;ethyl sulfate",CC[N+]1=C(OC2=C1C=C(C=C2)C3=CC=CC=C3)C.CCOS(=O)(=O)[O-],"InChI=1S/C16H16NO.C2H6O4S/c1-3-17-12(2)18-16-10-9-14(11-15(16)17)13-7-5-4-6-8-13;1-2-6-7(3,4)5/h4-11H,3H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",OBYRJRMHXXGCPJ-UHFFFAOYSA-M,C18H21NO5S,363.4,363.1140439,,91.8,378,0,0,5,3,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-IMIDAZOLIUM, 1-ETHYL-2-(8-HEPTADECENYL)-4,5-DIHYDRO-3-(2-HYDROXYETHYL)-, ET",068039-12-3,109623,"2-(3-ethyl-2-heptadec-8-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol;ethyl sulfate",CCCCCCCCC=CCCCCCCCC1=[N+](CCN1CC)CCO.CCOS(=O)(=O)[O-],"InChI=1S/C24H47N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25(4-2)20-21-26(24)22-23-27;1-2-6-7(3,4)5/h11-12,27H,3-10,13-23H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1",FKWUKIQLDIORHQ-UHFFFAOYSA-M,C26H52N2O5S,504.8,504.3596939,,101,507,0,1,5,19,34,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-IMIDAZOLIUM, 1-(CARBOXYMETHYL)-4,5-DIHYDRO-1(OR 3)-(2-HYDROXYETHYL)-2-UNDEC",068647-44-9,111503,"sodium;2-[3-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]acetate;hydroxide",CCCCCCCCCCCC1=[N+](CCN1CCO)CC(=O)[O-].[OH-].[Na+],"InChI=1S/C18H34N2O3.Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-17-19(14-15-21)12-13-20(17)16-18(22)23;;/h21H,2-16H2,1H3;;1H2/q;+1;/p-1",KGWNJGBNPWFAFR-UHFFFAOYSA-M,C18H35N2NaO4,366.5,366.2494519,,67.6,364,0,2,4,13,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"TITANIUM, TRIS[11-[2-(2-PENTENYL)OXIRANYL]-9-UNDECENOATO-O1](2-PROPANOLATO)-,",068797-79-5,6437670,tris((E)-11-[3-[(E)-pent-2-enyl]oxiran-2-yl]undec-9-enoic acid);propan-2-ol;titanium,CC/C=C/CC1OC1C/C=C/CCCCCCCC(=O)O.CC/C=C/CC1OC1C/C=C/CCCCCCCC(=O)O.CC/C=C/CC1OC1C/C=C/CCCCCCCC(=O)O.CC(O)C.[Ti],"InChI=1S/3C18H30O3.C3H8O.Ti/c3*1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20;1-3(2)4;/h3*3,8,10-11,16-17H,2,4-7,9,12-15H2,1H3,(H,19,20);3-4H,1-2H3;/b3*10-3+,11-8+;;",KYOKNGYEQAKFEF-YMMNNKTGSA-N,C57H98O10Ti,991.2,990.66394,,170,1210,0,4,10,39,68,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TITANIUM, TRIS[8-[2-(2,5-OCTADIENYL)OXIRANYL]OCTANOATO-O1](2-PROPANOLATO)-, (T",068784-86-1,6437667,"tris(8-[3-[(2E,5E)-octa-2,5-dienyl]oxiran-2-yl]octanoic acid);propan-2-ol;titanium",CC/C=C/C/C=C/CC1OC1CCCCCCCC(=O)O.CC/C=C/C/C=C/CC1OC1CCCCCCCC(=O)O.CC/C=C/C/C=C/CC1OC1CCCCCCCC(=O)O.CC(O)C.[Ti],"InChI=1S/3C18H30O3.C3H8O.Ti/c3*1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20;1-3(2)4;/h3*3-4,7,10,16-17H,2,5-6,8-9,11-15H2,1H3,(H,19,20);3-4H,1-2H3;/b3*4-3+,10-7+;;",YOWPZCVTOKSOBQ-NJTXMAEZSA-N,C57H98O10Ti,991.2,990.66394,,170,1210,0,4,10,39,68,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOIC ACID, 2-[[[4-(4-HYDROXY-4-METHYLPENTYL)-3-CYCLOHEXEN-1-YL]METHYLENE]AM",067634-12-2,106740,methyl 2-[[4-(4-hydroxy-4-methylpentyl)cyclohex-3-en-1-yl]methylideneamino]benzoate,CC(C)(CCCC1=CCC(CC1)C=NC2=CC=CC=C2C(=O)OC)O,"InChI=1S/C21H29NO3/c1-21(2,24)14-6-7-16-10-12-17(13-11-16)15-22-19-9-5-4-8-18(19)20(23)25-3/h4-5,8-10,15,17,24H,6-7,11-14H2,1-3H3",HNLBOCGUTPSUHX-UHFFFAOYSA-N,C21H29NO3,343.5,343.2147438,3.4,58.9,495,0,1,4,8,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZOIC ACID, 2-[[(2,4-DIMETHYL-3-CYCLOHEXEN-1-YL)METHYLENE]AMINO]-, METHYL ES",068845-02-3,111378,"methyl 2-[(2,4-dimethylcyclohex-3-en-1-yl)methylideneamino]benzoate",CC1C=C(CCC1C=NC2=CC=CC=C2C(=O)OC)C,"InChI=1S/C17H21NO2/c1-12-8-9-14(13(2)10-12)11-18-16-7-5-4-6-15(16)17(19)20-3/h4-7,10-11,13-14H,8-9H2,1-3H3",GZMGSIZLVIFVKF-UHFFFAOYSA-N,C17H21NO2,271.35,271.1572289,3.1,38.7,400,0,0,3,4,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"9,10-ANTHRACENEDIONE, 1-AMINO-4-HYDROXY-2-PHENOXY-",017418-58-5,28531,"1-amino-4-hydroxy-2-phenoxyanthracene-9,10-dione",C1=CC=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N,"InChI=1S/C20H13NO4/c21-18-15(25-11-6-2-1-3-7-11)10-14(22)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h1-10,22H,21H2",MHXFWEJMQVIWDH-UHFFFAOYSA-N,C20H13NO4,331.3,331.0844579,4.5,89.6,530,0,2,5,2,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Propanamide, N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl",090357-06-5,2375,N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide,CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O,"InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)",LKJPYSCBVHEWIU-UHFFFAOYSA-N,C18H14F4N2O4S,430.4,430.0610408,2.3,116,750,0,2,9,5,29,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propanamide, N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-hydroxy-2-methyl-, (2R)-",,56069,(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide,C[C@](CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O,"InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m0/s1",LKJPYSCBVHEWIU-KRWDZBQOSA-N,C18H14F4N2O4S,430.4,430.0610408,2.3,116,750,0,2,9,5,29,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Imidazole, 1-(2-((7-chlorobenzo(b)thien-3-yl)methoxy)-2-(2,4-dichlorophenyl",099592-32-2,65863,"1-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole",C1=CC2=C(C(=C1)Cl)SC=C2COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl,"InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2",JLGKQTAYUIMGRK-UHFFFAOYSA-N,C20H15Cl3N2OS,437.8,435.997067,6.3,55.3,488,0,0,3,6,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Imidazole, 1-(2-((7-chlorobenzo(b)thien-3-yl)methoxy)-2-(2,4-dichlorophenyl)ethyl)-, mononitrate",99592-39-9,200103,"1-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid",C1=CC2=C(C(=C1)Cl)SC=C2COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl.[N+](=O)(O)[O-],"InChI=1S/C20H15Cl3N2OS.HNO3/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22;2-1(3)4/h1-8,11-12,19H,9-10H2;(H,2,3,4)",HAAITRDZHUANGT-UHFFFAOYSA-N,C20H16Cl3N3O4S,500.8,498.99271,,121,513,0,1,6,6,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"MORPHOLINE, 4-[2-[1-METHYL-2-(4-MORPHOLINYL)ETHOXY]ETHYL]-",111681-72-2,86123,4-[2-(2-morpholin-4-ylethoxy)propyl]morpholine,CC(CN1CCOCC1)OCCN2CCOCC2,"InChI=1S/C13H26N2O3/c1-13(12-15-4-9-17-10-5-15)18-11-6-14-2-7-16-8-3-14/h13H,2-12H2,1H3",WTSZPGPMXVFMCG-UHFFFAOYSA-N,C13H26N2O3,258.36,258.1943427,-0.2,34.2,216,0,0,5,6,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
DIMORPHOLINODIETHYL ETHER,006425-39-4,80900,4-[2-(2-morpholin-4-ylethoxy)ethyl]morpholine,C1COCCN1CCOCCN2CCOCC2,InChI=1S/C12H24N2O3/c1-7-15-8-2-13(1)5-11-17-12-6-14-3-9-16-10-4-14/h1-12H2,ZMSQJSMSLXVTKN-UHFFFAOYSA-N,C12H24N2O3,244.33,244.1786926,-0.6,34.2,172,0,0,5,6,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3,5-TRIPHENYL-2-PYRAZOLINE",000742-01-8,95937,"2,3,5-triphenyl-3,4-dihydropyrazole",C1C(N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C21H18N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23(22-20)19-14-8-3-9-15-19/h1-15,21H,16H2",FGCZQOHSWGMVPN-UHFFFAOYSA-N,C21H18N2,298.4,298.1469986,5,15.6,398,0,0,2,3,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1-(3-TRIETHOXYSILYL)PROPYL)-2,2-DIETHOXY-1-AZA-2-SILACYCLOPENTANE",1184179-50-7,71225000,"3-(2,2-diethoxyazasilolidin-1-yl)propyl-triethoxysilane",CCO[Si]1(CCCN1CCC[Si](OCC)(OCC)OCC)OCC,"InChI=1S/C16H37NO5Si2/c1-6-18-23(19-7-2)15-11-13-17(23)14-12-16-24(20-8-3,21-9-4)22-10-5/h6-16H2,1-5H3",TZFZDYZBXPBFTL-UHFFFAOYSA-N,C16H37NO5Si2,379.64,379.2210264,,49.4,313,0,0,6,14,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-Aza-2-silacyclopentane, 1,2,2,4-tetramethyl-",18387-19-4,11332536,"1,2,2,4-tetramethylazasilolidine",CC1CN([Si](C1)(C)C)C,"InChI=1S/C7H17NSi/c1-7-5-8(2)9(3,4)6-7/h7H,5-6H2,1-4H3",LXWJIZILSYLRND-UHFFFAOYSA-N,C7H17NSi,143.3,143.1130261,,3.2,111,0,0,1,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PROPARGITE,002312-35-8,4936,[2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite,CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2OS(=O)OCC#C,"InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3",ZYHMJXZULPZUED-UHFFFAOYSA-N,C19H26O4S,350.5,350.1551805,5,64,454,0,0,5,7,24,"82 °F (USCG, 1999)","Decomposes. (USCG, 1999)",1,0,1,0,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Cyclohexanecarboxylic acid, 1-(p-chlorophenoxy)-",17413-88-6,205112,1-(4-chlorophenoxy)cyclohexane-1-carboxylic acid,C1CCC(CC1)(C(=O)O)OC2=CC=C(C=C2)Cl,"InChI=1S/C13H15ClO3/c14-10-4-6-11(7-5-10)17-13(12(15)16)8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,15,16)",XRQXJWMGDYGCDU-UHFFFAOYSA-N,C13H15ClO3,254.71,254.070972,3.7,46.5,266,0,1,3,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,6-Pyridazinedione, 1,2-dihydro-4-chloro-",5397-64-8,79382,"4-chloro-1,2-dihydropyridazine-3,6-dione",C1=C(C(=O)NNC1=O)Cl,"InChI=1S/C4H3ClN2O2/c5-2-1-3(8)6-7-4(2)9/h1H,(H,6,8)(H,7,9)",WNPMDHKYJTZOFF-UHFFFAOYSA-N,C4H3ClN2O2,146.53,145.988305,-0.1,58.2,199,0,2,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MALEIC HYDRAZIDE,000123-33-1,21954,"1,2-dihydropyridazine-3,6-dione",C1=CC(=O)NNC1=O,"InChI=1S/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)",BGRDGMRNKXEXQD-UHFFFAOYSA-N,C4H4N2O2,112.09,112.0272774,-0.8,58.2,143,0,2,2,0,8,572 °F (300 °C) (Closed cup),"Decomposes (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 5-[(2,4-DINITROPHENYL)AMINO]-2-(PHENYLAMINO)-, MONOSODIU",006373-74-6,5284435,"sodium 2-anilino-5-(2,4-dinitroanilino)benzenesulfonate",C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+],"InChI=1S/C18H14N4O7S.Na/c23-21(24)14-7-9-15(17(11-14)22(25)26)20-13-6-8-16(18(10-13)30(27,28)29)19-12-4-2-1-3-5-12;/h1-11,19-20H,(H,27,28,29);/q;+1/p-1",KKBFCPLWFWQNFB-UHFFFAOYSA-M,C18H13N4NaO7S,452.4,452.0402642,,181,698,0,2,9,4,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"BIS (2,2,6,6-TETRAMETHYL-4-PIPERIDYL) SEBACATE",052829-07-9,164282,"bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate",CC1(CC(CC(N1)(C)C)OC(=O)CCCCCCCCC(=O)OC2CC(NC(C2)(C)C)(C)C)C,"InChI=1S/C28H52N2O4/c1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22/h21-22,29-30H,9-20H2,1-8H3",XITRBUPOXXBIJN-UHFFFAOYSA-N,C28H52N2O4,480.7,480.3927081,5.5,76.7,594,0,2,6,13,34,,,1,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,0
"DECANEDIOIC ACID, BIS(1,2,2,6,6-PENTAMETHYL-4-PIPERIDINYL) ESTER",041556-26-7,586744,"bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate",CC1(CC(CC(N1C)(C)C)OC(=O)CCCCCCCCC(=O)OC2CC(N(C(C2)(C)C)C)(C)C)C,"InChI=1S/C30H56N2O4/c1-27(2)19-23(20-28(3,4)31(27)9)35-25(33)17-15-13-11-12-14-16-18-26(34)36-24-21-29(5,6)32(10)30(7,8)22-24/h23-24H,11-22H2,1-10H3",RSOILICUEWXSLA-UHFFFAOYSA-N,C30H56N2O4,508.8,508.4240083,6.4,59.1,645,0,0,6,13,36,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
ATORVASTATIN CALCIUM TRIHYDRATE,344423-98-9,656846,"calcium;bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate);trihydrate",CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.O.O.O.[Ca+2],"InChI=1S/2C33H35FN2O5.Ca.3H2O/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;;;;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);;3*1H2/q;;+2;;;/p-2/t2*26-,27-;;;;/m11..../s1",SHZPNDRIDUBNMH-NIJVSVLQSA-L,C66H74CaF2N4O13,1209.4,1208.484636,,232,817,0,9,15,22,86,,,0,0,0,0,0,1,0,1,0,0,0,0,0,1,0,0,0,0,0,0
DISODIUM 7-((CARBOXYLATO(4-HYDROXYPHENYL)ACETYL)AMINO)-7-METHOXY-3-(((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO-5-OXA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLATE,064953-12-4,441242,"disodium;(6R,7R)-7-[[2-carboxylato-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)C(C4=CC=C(C=C4)O)C(=O)[O-])OC)OC2)C(=O)[O-].[Na+].[Na+],"InChI=1S/C20H20N6O9S.2Na/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9;;/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32);;/q;2*+1/p-2/t12?,18-,20+;;/m1../s1",GRIXGZQULWMCLU-HUTAOCTPSA-L,C20H18N6Na2O9S,564.4,564.0651359,,237,947,0,2,13,7,38,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
Sodium morrhuate,9/2/31,47500,disodium;7-[[2-carboxylato-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C(C4=CC=C(C=C4)O)C(=O)[O-])OC)OC2)C(=O)[O-].[Na+].[Na+],"InChI=1S/C20H20N6O9S.2Na/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9;;/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32);;/q;2*+1/p-2",GRIXGZQULWMCLU-UHFFFAOYSA-L,C20H18N6Na2O9S,564.4,564.0651359,,237,947,0,2,13,7,38,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,",089786-04-9,123630,"(2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3,"InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1",LPQZKKCYTLCDGQ-WEDXCCLWSA-N,C10H12N4O5S,300.29,300.0528407,-2,131,573,0,1,7,3,20,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1,1,0
CEFEPIME HYDROCHLORIDE,123171-59-5,9571075,"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;chloride;hydrate;hydrochloride",C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)O.O.Cl.[Cl-],"InChI=1S/C19H24N6O5S2.2ClH.H2O/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11;;;/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29);2*1H;1H2/b23-12-;;;/t13-,17-;;;/m1.../s1",LRAJHPGSGBRUJN-OMIVUECESA-N,C19H28Cl2N6O6S2,571.5,570.0888804,,202,874,0,5,12,7,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
"Pyrrolidinium, 1-(((6R,7R)-7-(((2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-1-methyl-, inner salt",88040-23-7,5479537,"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-],"InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1",HVFLCNVBZFFHBT-ZKDACBOMSA-N,C19H24N6O5S2,480.6,480.1249602,-0.1,204,869,0,2,10,6,32,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
AZITHROMYCIN DIHYDRATE,117772-70-0,3033819,"(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one;dihydrate",CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O.O.O,"InChI=1S/C38H72N2O12.2H2O/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28;;/h20-33,35,41-43,45-46H,15-19H2,1-14H3;2*1H2/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-;;/m1../s1",SRMPHJKQVUDLQE-KUJJYQHYSA-N,C38H76N2O14,785,784.5296551,,182,1150,0,7,16,7,54,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,1,0
"1-Oxa-6-azacyclopentadecan-15-one, 13-((2,6-dideoxy-3-C-methyl-3-O-methyl-alph",083905-01-5,447043,"(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one",CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O,"InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1",MQTOSJVFKKJCRP-BICOPXKESA-N,C38H72N2O12,749,748.5085257,4,180,1150,0,5,14,7,52,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1,1,0
"Luteinizing hormone releasing factor (pig), 6-(1-(phenylmethyl)-D-histidine)-9",076712-82-8,25077993,(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-3-(1-benzylimidazol-4-yl)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide,CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CN(C=N2)CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8,"InChI=1S/C66H86N18O12/c1-4-70-64(95)55-17-11-25-84(55)65(96)48(16-10-24-71-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-34-83(37-74-43)33-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-72-46-15-9-8-14-45(41)46)79-61(92)52(29-42-32-69-36-73-42)80-57(88)47-22-23-56(87)75-47/h5-9,12-15,18-21,31-32,34,36-38,47-55,72,85-86H,4,10-11,16-17,22-30,33,35H2,1-3H3,(H,69,73)(H,70,95)(H,75,87)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,88)(H,81,90)(H,82,91)(H4,67,68,71)/t47-,48-,49-,50-,51-,52-,53+,54-,55-/m0/s1",HHXHVIJIIXKSOE-QILQGKCVSA-N,C66H86N18O12,1323.5,1322.66726,0.7,449,2660,0,15,15,34,96,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2,4-Oxazolidinedione, 3-(3,5-dichlorophenyl)-5-methyl-5-vinyl-",050471-44-8,39676,"3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione",CC1(C(=O)N(C(=O)O1)C2=CC(=CC(=C2)Cl)Cl)C=C,"InChI=1S/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3",FSCWZHGZWWDELK-UHFFFAOYSA-N,C12H9Cl2NO3,286.11,284.9959485,3.1,46.6,391,0,0,3,2,18,,BP: 131 °C at 0.05 mm Hg,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,1,0,0
"Oxazolidine-5-carboxylic acid, 3-(3,5-dichlorophenyl)-2,4-dioxo-5-methyl-, ethyl ester",72391-46-9,51574,"ethyl 3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate",CCOC(=O)C1(C(=O)N(C(=O)O1)C2=CC(=CC(=C2)Cl)Cl)C,"InChI=1S/C13H11Cl2NO5/c1-3-20-11(18)13(2)10(17)16(12(19)21-13)9-5-7(14)4-8(15)6-9/h4-6H,3H2,1-2H3",IGUYEXXAGBDLLX-UHFFFAOYSA-N,C13H11Cl2NO5,332.13,331.0014278,2.7,72.9,461,0,0,5,4,21,,,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrido(2,3-d)pyrimidine-6-carboxylic acid, 5,8-dihydro-8-ethyl-5-oxo-2-(1-pipe",051940-44-4,4831,"8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid",CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCNCC3)C(=O)O,"InChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22)",JOHZPMXAZQZXHR-UHFFFAOYSA-N,C14H17N5O3,303.32,303.1331394,-2.1,98.7,489,0,2,8,3,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Pyrido(2,3-d)pyrimidine-6-carboxylic acid, 5,8-dihydro-8-ethyl-5-oxo-2-(1-piperazinyl)-,trihydrate",72571-82-5,153398,"8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid;trihydrate",CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCNCC3)C(=O)O.O.O.O,"InChI=1S/C14H17N5O3.3H2O/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19;;;/h7-8,15H,2-6H2,1H3,(H,21,22);3*1H2",URMXYPLWYMOYPG-UHFFFAOYSA-N,C14H23N5O6,357.36,357.1648335,,102,489,0,5,11,3,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"1-AZIRIDINEPROPANOIC ACID, 2-[[3-(1-AZIRIDINYL)-1-OXOPROPOXY]METHYL]-2-(HYDROX",057116-45-7,92667,"[2,2-bis[3-(aziridin-1-yl)propanoyloxymethyl]-3-hydroxypropyl] 3-(aziridin-1-yl)propanoate",C1CN1CCC(=O)OCC(CO)(COC(=O)CCN2CC2)COC(=O)CCN3CC3,"InChI=1S/C20H33N3O7/c24-13-20(14-28-17(25)1-4-21-7-8-21,15-29-18(26)2-5-22-9-10-22)16-30-19(27)3-6-23-11-12-23/h24H,1-16H2",KAPCRJOPWXUMSQ-UHFFFAOYSA-N,C20H33N3O7,427.5,427.2318504,-1.4,108,524,0,1,10,19,30,,,0,0,0,0,0,1,0,1,0,0,1,0,0,0,0,0,0,1,0,1
"1-AZIRIDINEPROPANOIC ACID, 2-[[3-(1-AZIRIDINYL)-1-OXOPROPOXY]METHYL]-2-ETHYL-1",052234-82-9,93272,"2,2-bis[3-(aziridin-1-yl)propanoyloxymethyl]butyl 3-(aziridin-1-yl)propanoate",CCC(COC(=O)CCN1CC1)(COC(=O)CCN2CC2)COC(=O)CCN3CC3,"InChI=1S/C21H35N3O6/c1-2-21(15-28-18(25)3-6-22-9-10-22,16-29-19(26)4-7-23-11-12-23)17-30-20(27)5-8-24-13-14-24/h2-17H2,1H3",KDRBAEZRIDZKRP-UHFFFAOYSA-N,C21H35N3O6,425.5,425.2525858,0.1,87.9,523,0,0,9,19,30,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 5-[(4,6-DICHLORO-1,3,5-TRIAZIN-2-YL)AMINO]-4-H",057583-69-4,162829,"trisodium;5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(1-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonate",C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])NC5=NC(=NC(=N5)Cl)Cl)O.[Na+].[Na+].[Na+],"InChI=1S/C23H14Cl2N6O10S3.3Na/c24-21-27-22(25)29-23(28-21)26-15-9-12(42(33,34)35)7-11-8-16(43(36,37)38)18(19(32)17(11)15)31-30-14-6-5-10-3-1-2-4-13(10)20(14)44(39,40)41;;;/h1-9,32H,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,26,27,28,29);;;/q;3*+1/p-3",ZZHYREJHWJCRBB-UHFFFAOYSA-K,C23H11Cl2N6Na3O10S3,767.4,765.8768923,,292,1340,0,2,16,4,47,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"CUPRATE(4-), [3-[[8-[(4-AMINO-6-CHLORO-1,3,5-TRIAZIN-2-YL)AMINO]-1-HYDROXY-3,6",014692-76-3,161082,"copper;tetrasodium;5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-oxido-3-[(1-oxido-4,8-disulfonatonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonate",C1=CC2=C(C=C(C(=C2C(=C1)S(=O)(=O)[O-])[O-])N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])NC5=NC(=NC(=N5)N)Cl)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2],"InChI=1S/C23H16ClN7O14S4.Cu.4Na/c24-21-27-22(25)29-23(28-21)26-11-6-9(46(34,35)36)4-8-5-15(49(43,44)45)18(20(33)16(8)11)31-30-12-7-14(48(40,41)42)10-2-1-3-13(47(37,38)39)17(10)19(12)32;;;;;/h1-7,32-33H,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H3,25,26,27,28,29);;;;;/q;+2;4*+1/p-6",BQWFGICULAHUSM-UHFFFAOYSA-H,C23H10ClCuN7Na4O14S4,927.6,925.774385,,410,1630,0,2,21,4,54,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((((4-ethyl-2,3-diox",062893-20-3,23663974,"sodium (6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)[O-].[Na+],"InChI=1S/C25H27N9O8S2.Na/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2;/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41);/q;+1/p-1/t15-,16-,22-;/m1./s1",NCFTXMQPRQZFMZ-WERGMSTESA-M,C25H26N9NaO8S2,667.7,667.1243455,,274,1250,0,3,13,9,45,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"2-NAPHTHALENESULFONIC ACID, 7-[[4-CHLORO-6-[(3-SULFOPHENYL)AMINO]-1,3,5-TRIAZI",064181-81-3,116565,"trisodium;7-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate",COC1=CC(=C(C=C1)N=NC2=C(C=C3C=C(C=CC3=C2O)NC4=NC(=NC(=N4)NC5=CC(=CC=C5)S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+],"InChI=1S/C26H20ClN7O11S3.3Na/c1-45-16-6-8-19(20(12-16)47(39,40)41)33-34-22-21(48(42,43)44)10-13-9-15(5-7-18(13)23(22)35)29-26-31-24(27)30-25(32-26)28-14-3-2-4-17(11-14)46(36,37)38;;;/h2-12,35H,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H2,28,29,30,31,32);;;/q;3*+1/p-3",PPODANAVFFOJFF-UHFFFAOYSA-K,C26H17ClN7Na3O11S3,804.1,802.9529784,,314,1420,0,3,18,7,51,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,1
"2-NAPHTHALENESULFONIC ACID, 7-[[4-CHLORO-6-[ETHYL[3-[[2-(SULFOOXY)ETHYL]SULFON",083567-04-8,174318,"trisodium;7-[[4-chloro-6-[N-ethyl-3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate",CCN(C1=CC(=CC=C1)S(=O)(=O)CCOS(=O)(=O)[O-])C2=NC(=NC(=N2)NC3=CC4=CC(=C(C(=C4C=C3)O)N=NC5=C(C=C(C=C5)OC)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+],"InChI=1S/C30H28ClN7O14S4.3Na/c1-3-38(19-5-4-6-21(15-19)53(40,41)12-11-52-56(48,49)50)30-34-28(31)33-29(35-30)32-18-7-9-22-17(13-18)14-25(55(45,46)47)26(27(22)39)37-36-23-10-8-20(51-2)16-24(23)54(42,43)44;;;/h4-10,13-16,39H,3,11-12H2,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,32,33,34,35);;;/q;3*+1/p-3",HBXOOEYXXBERDF-UHFFFAOYSA-K,C30H25ClN7Na3O14S4,940.2,938.9723937,,357,1750,0,2,21,12,59,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 4-AMINO-6-[[5-[(4,6-DICHLORO-1,3,5-TRIAZIN-2-Y",070865-31-5,135666502,"pentasodium;5-amino-3-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]diazenyl]-6-[(2,5-disulfonatophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate",C1=CC(=C(C=C1NC2=NC(=NC(=N2)Cl)Cl)N=NC3=C(C4=C(C(=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC5=C(C=CC(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])N)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C25H17Cl2N9O16S5.5Na/c26-23-30-24(27)32-25(31-23)29-10-1-3-14(54(41,42)43)12(7-10)33-36-21-17(57(50,51)52)6-9-5-16(56(47,48)49)20(19(28)18(9)22(21)37)35-34-13-8-11(53(38,39)40)2-4-15(13)55(44,45)46;;;;;/h1-8,37H,28H2,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,29,30,31,32);;;;;/q;5*+1/p-5",YWHQOJGTWCMJAY-UHFFFAOYSA-I,C25H12Cl2N9Na5O16S5,1040.6,1038.787108,,474,2000,0,3,25,6,62,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
NOVOBIOCIN SODIUM,001476-53-5,23663939,"sodium 7-[(2R,3R,4S,5R)-4-carbamoyloxy-3-hydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxochromen-4-olate",CC1=C(C=CC2=C1OC(=O)C(=C2[O-])NC(=O)C3=CC(=C(C=C3)O)CC=C(C)C)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O.[Na+],"InChI=1S/C31H36N2O11.Na/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29;/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37);/q;+1/p-1/t23-,25+,26-,29-;/m1./s1",WWPRGAYLRGSOSU-RNROJPEYSA-M,C31H35N2NaO11,634.6,634.2138542,,199,1160,0,4,11,9,45,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Benzamide, N-(7-((3-O-(aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-beta-L-lyxo-hexopyranosyl)oxy)-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl)-4-hydroxy-3-(3-methyl-2-butenyl)-",303-81-1,54675769,"[(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate",CC1=C(C=CC2=C1OC(=O)C(=C2O)NC(=O)C3=CC(=C(C=C3)O)CC=C(C)C)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O,"InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1",YJQPYGGHQPGBLI-KGSXXDOSSA-N,C31H36N2O11,612.6,612.23191,3.3,196,1150,0,5,11,9,44,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
GIBBERELLIN A7,000510-75-8,92782,"(1R,2R,5R,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid",C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O,"InChI=1S/C19H22O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h5-6,10-14,20H,1,3-4,7-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1",SEEGHKWOBVVBTQ-NFMPGMCNSA-N,C19H22O5,330.4,330.1467238,1.7,83.8,725,0,2,5,1,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
GIBBERELLIC ACID,000077-06-5,6466,"(1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid",C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O,"InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1",IXORZMNAPKEEDV-OBDJNFEBSA-N,C19H22O6,346.4,346.1416384,0.2,104,772,0,3,6,1,25,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2H-9,4a-(Epoxymethano)phenanthren-12-one, 1,3,4,9,10,10a-hexahydro-5,6,10-trihydroxy-1,1-dimethyl-7-(1-methylethyl)-, (4aR,9R,10R,10aS)-",93780-80-4,13820511,"(1R,8R,9R,10S)-3,4,9-trihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one",CC(C)C1=C(C(=C2C(=C1)[C@@H]3[C@@H]([C@@H]4[C@@]2(CCCC4(C)C)C(=O)O3)O)O)O,"InChI=1S/C20H26O5/c1-9(2)10-8-11-12(14(22)13(10)21)20-7-5-6-19(3,4)17(20)15(23)16(11)25-18(20)24/h8-9,15-17,21-23H,5-7H2,1-4H3/t15-,16+,17-,20-/m0/s1",UXVPWKDITRJELA-CLWJZODNSA-N,C20H26O5,346.4,346.1780239,3.4,87,572,0,3,5,1,25,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
Carnosol,005957-80-2,442009,"(1R,8S,10S)-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one",CC(C)C1=C(C(=C2C(=C1)[C@@H]3C[C@@H]4[C@@]2(CCCC4(C)C)C(=O)O3)O)O,"InChI=1S/C20H26O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13-,14-,20+/m0/s1",XUSYGBPHQBWGAD-PJSUUKDQSA-N,C20H26O4,330.4,330.1831093,4.4,66.8,542,0,2,4,1,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"(1S-(1ALPHA, 3A ALPHA,4ALPHA,6A ALPHA)-5,5'-(TETRAHYDRO-1H,3H-FURO[3,4-C]FURAN-1,4-DIYL)BIS[1,3-BENZODIOXOLE]",000607-80-7,72307,"5-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole",C1[C@H]2[C@H](CO[C@@H]2C3=CC4=C(C=C3)OCO4)[C@H](O1)C5=CC6=C(C=C5)OCO6,"InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1",PEYUIKBAABKQKQ-AFHBHXEDSA-N,C20H18O6,354.4,354.1103383,2.7,55.4,482,0,0,6,2,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1H,3H-Furo(3,4-c)furan-3a(4H)-ol, 1,4-bis(1,3-benzodioxol-5-yl)dihydro-, (1S,3aS,4R,6aR)-",13040-46-5,3321512,"3,6-bis(1,3-benzodioxol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol",C1C2C(OCC2(C(O1)C3=CC4=C(C=C3)OCO4)O)C5=CC6=C(C=C5)OCO6,"InChI=1S/C20H18O7/c21-20-8-23-18(11-1-3-14-16(5-11)26-9-24-14)13(20)7-22-19(20)12-2-4-15-17(6-12)27-10-25-15/h1-6,13,18-19,21H,7-10H2",CAQZFLPWHBKTTR-UHFFFAOYSA-N,C20H18O7,370.4,370.1052529,1.6,75.6,573,0,1,7,2,27,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridinium, 1-((2-carboxy-8-oxo-7-(2-(2-thienyl)acetamido)-5-thia-1-azabicyclo",000050-59-9,5773,"(6R,7R)-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=CC=C4,"InChI=1S/C19H17N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-8,15,18H,9-11H2,(H-,20,23,25,26)/t15-,18-/m1/s1",CZTQZXZIADLWOZ-CRAIPNDOSA-N,C19H17N3O4S2,415.5,415.0660484,1.9,147,687,0,1,6,5,28,No data,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1-NAPHTHALENESULFONIC ACID, 8-(PHENYLAMINO)-5-[[4-[(3-SULFOPHENYL)AZO]-1-NAPHT",003351-05-1,18776,disodium;8-anilino-5-[[4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonate,C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=CC=C(C5=CC=CC=C54)N=NC6=CC(=CC=C6)S(=O)(=O)[O-])C=CC=C3S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C32H23N5O6S2.2Na/c38-44(39,40)23-11-6-10-22(20-23)34-35-27-16-17-28(25-13-5-4-12-24(25)27)36-37-29-18-19-30(33-21-8-2-1-3-9-21)32-26(29)14-7-15-31(32)45(41,42)43;;/h1-20,33H,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2",XPRMZBUQQMPKCR-UHFFFAOYSA-L,C32H21N5Na2O6S2,681.7,681.0728643,,193,1230,0,1,11,6,47,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"1-NAPHTHALENESULFONIC ACID, 8-[(4-METHYLPHENYL)AMINO]-5-[[4-[(3-SULFOPHENYL)AZ",003529-01-9,72586,disodium;8-(4-methylanilino)-5-[[4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonate,CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=CC=C(C5=CC=CC=C54)N=NC6=CC(=CC=C6)S(=O)(=O)[O-])C=CC=C3S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C33H25N5O6S2.2Na/c1-21-12-14-22(15-13-21)34-31-19-18-30(27-10-5-11-32(33(27)31)46(42,43)44)38-37-29-17-16-28(25-8-2-3-9-26(25)29)36-35-23-6-4-7-24(20-23)45(39,40)41;;/h2-20,34H,1H3,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",BMYUQZABARGLAD-UHFFFAOYSA-L,C33H23N5Na2O6S2,695.7,695.0885144,,193,1270,0,1,11,6,48,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENECARBOXAMIDE, 3-HYDROXY-4-[(2-METHOXYPHENYL)AZO]-N-PHENYL-",018846-91-8,87825,3-hydroxy-4-[(2-methoxyphenyl)diazenyl]-N-phenylnaphthalene-2-carboxamide,COC1=CC=CC=C1N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC=CC=C4)O,"InChI=1S/C24H19N3O3/c1-30-21-14-8-7-13-20(21)26-27-22-18-12-6-5-9-16(18)15-19(23(22)28)24(29)25-17-10-3-2-4-11-17/h2-15,28H,1H3,(H,25,29)",MZOOQEKXDIVGRL-UHFFFAOYSA-N,C24H19N3O3,397.4,397.1426415,6,83.3,592,0,2,5,5,30,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENECARBOXAMIDE, 3-HYDROXY-N-(2-METHYLPHENYL)-4-[(2,4,5-TRICHLOROPHEN",006535-46-2,23034,"3-hydroxy-N-(2-methylphenyl)-4-[(2,4,5-trichlorophenyl)diazenyl]naphthalene-2-carboxamide",CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC(=C(C=C4Cl)Cl)Cl,"InChI=1S/C24H16Cl3N3O2/c1-13-6-2-5-9-20(13)28-24(32)16-10-14-7-3-4-8-15(14)22(23(16)31)30-29-21-12-18(26)17(25)11-19(21)27/h2-12,31H,1H3,(H,28,32)",JQNJCQYNSLCFAC-UHFFFAOYSA-N,C24H16Cl3N3O2,484.8,483.03081,8.2,74.1,681,0,2,4,4,32,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
".BETA.-ALANINE, N-ETHYL-N-[4-[(5-NITRO-2,1-BENZISOTHIAZOL-3-YL)AZO]PHENYL]-, M",052239-04-0,104135,"methyl 3-[N-ethyl-4-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]anilino]propanoate",CCN(CCC(=O)OC)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-],"InChI=1S/C19H19N5O4S/c1-3-23(11-10-18(25)28-2)14-6-4-13(5-7-14)20-21-19-16-12-15(24(26)27)8-9-17(16)22-29-19/h4-9,12H,3,10-11H2,1-2H3",VHLFTCNAACYPDY-UHFFFAOYSA-N,C19H19N5O4S,413.5,413.1157753,4.6,141,594,0,0,9,8,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"ACETAMIDE, N-[5-[BIS(2-METHOXYETHYL)AMINO]-2-[(5-NITRO-2,1-BENZISOTHIAZOL-3-YL",105076-77-5,13643261,"N-[5-[bis(2-methoxyethyl)amino]-2-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]phenyl]acetamide",CC(=O)NC1=C(C=CC(=C1)N(CCOC)CCOC)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-],"InChI=1S/C21H24N6O5S/c1-14(28)22-20-13-15(26(8-10-31-2)9-11-32-3)4-7-19(20)23-24-21-17-12-16(27(29)30)5-6-18(17)25-33-21/h4-7,12-13H,8-11H2,1-3H3,(H,22,28)",QBCBEQSWSOZGPB-UHFFFAOYSA-N,C21H24N6O5S,472.5,472.1528891,3.3,162,672,0,1,10,10,33,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETAMIDE, N-[5-(DIETHYLAMINO)-2-[(3,5-DINITRO-2-THIENYL)AZO]PHENYL]-",058979-46-7,100918,"N-[5-(diethylamino)-2-[(3,5-dinitrothiophen-2-yl)diazenyl]phenyl]acetamide",CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(S2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C,"InChI=1S/C16H18N6O5S/c1-4-20(5-2)11-6-7-12(13(8-11)17-10(3)23)18-19-16-14(21(24)25)9-15(28-16)22(26)27/h6-9H,4-5H2,1-3H3,(H,17,23)",KRGRZKUNEOEXJG-UHFFFAOYSA-N,C16H18N6O5S,406.4,406.1059389,3.7,177,605,0,1,9,6,28,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"ACETAMIDE, N-[2-[(4-CHLORO-3-CYANO-5-FORMYL-2-THIENYL)AZO]-5-(DIETHYLAMINO)PHE",122371-93-1,12116632,N-[2-[(4-chloro-3-cyano-5-formylthiophen-2-yl)diazenyl]-5-(diethylamino)phenyl]-2-methoxyacetamide,CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C(=C(S2)C=O)Cl)C#N)NC(=O)COC,"InChI=1S/C19H20ClN5O3S/c1-4-25(5-2)12-6-7-14(15(8-12)22-17(27)11-28-3)23-24-19-13(9-21)18(20)16(10-26)29-19/h6-8,10H,4-5,11H2,1-3H3,(H,22,27)",SXIKWSUXCBSFTQ-UHFFFAOYSA-N,C19H20ClN5O3S,433.9,433.0975384,3.8,135,639,0,1,8,9,29,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BICYCLO[2.2.2]OCT-5-ENE-2-CARBOXALDEHYDE, 1-METHYL-4-(1-METHYLETHYL)-",067890-79-3,106943,1-methyl-4-propan-2-ylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde,CC(C)C12CCC(C=C1)(C(C2)C=O)C,"InChI=1S/C13H20O/c1-10(2)13-6-4-12(3,5-7-13)11(8-13)9-14/h4,6,9-11H,5,7-8H2,1-3H3",LXYNULJSTVMWAJ-UHFFFAOYSA-N,C13H20O,192.3,192.1514153,3.5,17.1,279,0,0,1,2,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1H-INDOLE-3-HEPTANOL, .ETA.-1H-INDOL-3-YL-.ALPHA.,.ALPHA.,.EPSILON.-TRIMETHYL-",067860-00-8,106919,"8,8-bis(1H-indol-3-yl)-2,6-dimethyloctan-2-ol",CC(CCCC(C)(C)O)CC(C1=CNC2=CC=CC=C21)C3=CNC4=CC=CC=C43,"InChI=1S/C26H32N2O/c1-18(9-8-14-26(2,3)29)15-21(22-16-27-24-12-6-4-10-19(22)24)23-17-28-25-13-7-5-11-20(23)25/h4-7,10-13,16-18,21,27-29H,8-9,14-15H2,1-3H3",SYOSSKZMWMHVSA-UHFFFAOYSA-N,C26H32N2O,388.5,388.2514636,6.4,51.8,489,0,3,1,8,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"1H-Indole, 3,3'-methylenebis-",5/4/68,3071,3-(1H-indol-3-ylmethyl)-1H-indole,C1=CC=C2C(=C1)C(=CN2)CC3=CNC4=CC=CC=C43,"InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2",VFTRKSBEFQDZKX-UHFFFAOYSA-N,C17H14N2,246.31,246.1156985,4.3,31.6,286,0,2,0,2,19,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,7-NAPHTHALENEDISULFONIC ACID, 5-[[2,4-DIHYDROXY-5-[(4-NITROPHENYL)AZO]PHENYL",068155-63-5,16130941,"disodium;5-[[2,4-dihydroxy-5-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]naphthalene-2,7-disulfonate",C1=CC(=CC=C1N=NC2=CC(=C(C=C2O)O)N=NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=C4O)N=NC5=C(C(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-])O)S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+],"InChI=1S/C28H17N9O16S2.2Na/c38-22-11-23(39)18(10-17(22)30-29-13-1-3-14(4-2-13)35(42)43)31-32-19-9-16(54(48,49)50)5-12-6-24(55(51,52)53)26(28(41)25(12)19)34-33-20-7-15(36(44)45)8-21(27(20)40)37(46)47;;/h1-11,38-41H,(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2",WMEHWGRJJSAYSJ-UHFFFAOYSA-L,C28H15N9Na2O16S2,843.6,842.9873563,,424,1690,0,4,22,6,57,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 5-[[2,4-DIHYDROXY-5-[(2-HYDROXY-3,5-DINITROPHE",070210-25-2,16130947,"disodium;5-[[2,4-dihydroxy-5-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-1,7-disulfonate",C1=CC(=CC=C1N=NC2=CC(=C3C=C(C=C(C3=C2O)N=NC4=C(C=C(C(=C4)N=NC5=C(C(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-])O)O)O)S(=O)(=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+],"InChI=1S/C28H17N9O16S2.2Na/c38-23-11-24(39)18(31-34-20-5-14(36(44)45)6-22(27(20)40)37(46)47)9-17(23)30-32-19-8-15(54(48,49)50)7-16-25(55(51,52)53)10-21(28(41)26(16)19)33-29-12-1-3-13(4-2-12)35(42)43;;/h1-11,38-41H,(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2",CHMUPHOKCJRARX-UHFFFAOYSA-L,C28H15N9Na2O16S2,843.6,842.9873563,,424,1690,0,4,22,6,57,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONAMIDE, N-(4-AMINO-9,10-DIHYDRO-3-METHOXY-9,10-DIOXO-1-ANTHRACENYL",000081-68-5,66486,"N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)-4-methylbenzenesulfonamide",CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)OC,"InChI=1S/C22H18N2O5S/c1-12-7-9-13(10-8-12)30(27,28)24-16-11-17(29-2)20(23)19-18(16)21(25)14-5-3-4-6-15(14)22(19)26/h3-11,24H,23H2,1-2H3",BXIGAWRFDMDLTL-UHFFFAOYSA-N,C22H18N2O5S,422.5,422.0936429,4.1,124,771,0,2,7,4,30,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"BENZENESULFONAMIDE, N-(4-AMINO-9,10-DIHYDRO-3-METHOXY-9,10-DIOXO-1-ANTHRACENYL",069563-51-5,112289,"N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)benzenesulfonamide",COC1=C(C2=C(C(=C1)NS(=O)(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)N,"InChI=1S/C21H16N2O5S/c1-28-16-11-15(23-29(26,27)12-7-3-2-4-8-12)17-18(19(16)22)21(25)14-10-6-5-9-13(14)20(17)24/h2-11,23H,22H2,1H3",ZUWHJJGOYZUNDW-UHFFFAOYSA-N,C21H16N2O5S,408.4,408.0779928,3.8,124,743,0,2,7,4,29,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0
"1,4-BENZENEDISULFONIC ACID, 2-[[4-[[4-[(4-AMINO-6-CHLORO-1,3,5-TRIAZIN-2-YL)AM",070161-16-9,166094,"tetrasodium;2-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonatonaphthalen-1-yl]diazenyl]-7-sulfonatonaphthalen-1-yl]diazenyl]benzene-1,4-disulfonate",C1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)[O-])NC3=NC(=NC(=N3)N)Cl)N=NC4=C5C=CC(=CC5=C(C=C4)N=NC6=C(C=CC(=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C29H20ClN9O12S4.4Na/c30-27-33-28(31)35-29(34-27)32-22-10-9-20(17-2-1-3-25(26(17)22)55(49,50)51)37-36-19-7-8-21(18-12-14(52(40,41)42)4-6-16(18)19)38-39-23-13-15(53(43,44)45)5-11-24(23)54(46,47)48;;;;/h1-13H,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H3,31,32,33,34,35);;;;/q;4*+1/p-4",SKGZHFQLKYFSHX-UHFFFAOYSA-J,C29H16ClN9Na4O12S4,938.2,936.9080565,,388,1820,0,2,21,6,59,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,4-BENZENEDISULFONIC ACID, 2-[[4-[[4-[(4-AMINO-6-CHLORO-1,3,5-TRIAZIN-2-YL)AM",070161-17-0,166096,"tetrasodium;2-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonatonaphthalen-1-yl]diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]benzene-1,4-disulfonate",C1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)[O-])NC3=NC(=NC(=N3)N)Cl)N=NC4=C5C=C(C=CC5=C(C=C4)N=NC6=C(C=CC(=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C29H20ClN9O12S4.4Na/c30-27-33-28(31)35-29(34-27)32-22-10-9-20(17-2-1-3-25(26(17)22)55(49,50)51)37-38-21-8-7-19(16-6-4-14(12-18(16)21)52(40,41)42)36-39-23-13-15(53(43,44)45)5-11-24(23)54(46,47)48;;;;/h1-13H,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H3,31,32,33,34,35);;;;/q;4*+1/p-4",HNZPAQUVYHXZEJ-UHFFFAOYSA-J,C29H16ClN9Na4O12S4,938.2,936.9080565,,388,1820,0,2,21,6,59,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,3-NAPHTHALENEDISULFONIC ACID, 7-HYDROXY-8-[[4-[1-[4-[(4-HYDROXYPHENYL)AZO]PH",006507-77-3,81002,"disodium;7-hydroxy-8-[[4-[1-[4-[(4-hydroxyphenyl)diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]naphthalene-1,3-disulfonate",C1CCC(CC1)(C2=CC=C(C=C2)N=NC3=CC=C(C=C3)O)C4=CC=C(C=C4)N=NC5=C(C=CC6=CC(=CC(=C65)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+],"InChI=1S/C34H30N4O8S2.2Na/c39-28-15-13-27(14-16-28)36-35-25-9-5-23(6-10-25)34(18-2-1-3-19-34)24-7-11-26(12-8-24)37-38-33-30(40)17-4-22-20-29(47(41,42)43)21-31(32(22)33)48(44,45)46;;/h4-17,20-21,39-40H,1-3,18-19H2,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2",VNENWQQVIWFWHW-UHFFFAOYSA-L,C34H28N4Na2O8S2,730.7,730.1143948,,221,1310,0,2,12,6,50,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-PYRIDINEMETHANESULFONIC ACID, 5-[[5-[[4-CHLORO-6-[(3-SULFOPHENYL)AMINO]-1,3,",089923-43-3,174774,"trisodium;4-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[[1-ethyl-6-hydroxy-4-methyl-2-oxo-5-(sulfonatomethyl)-3-pyridinyl]diazenyl]benzenesulfonate",CCN1C(=C(C(=C(C1=O)N=NC2=C(C=CC(=C2)NC3=NC(=NC(=N3)NC4=CC(=CC=C4)S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])C)CS(=O)(=O)[O-])O.[Na+].[Na+].[Na+],"InChI=1S/C24H23ClN8O11S3.3Na/c1-3-33-20(34)16(11-45(36,37)38)12(2)19(21(33)35)32-31-17-10-14(7-8-18(17)47(42,43)44)27-24-29-22(25)28-23(30-24)26-13-5-4-6-15(9-13)46(39,40)41;;;/h4-10,34H,3,11H2,1-2H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H2,26,27,28,29,30);;;/q;3*+1/p-3",FUAXQTLXVKERNR-UHFFFAOYSA-K,C24H20ClN8Na3O11S3,797.1,795.9795275,,325,1570,0,3,18,8,50,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 5-(BENZOYLAMINO)-3-[[5-[[(5-CHLORO-2,6-DIFLUOR",083400-12-8,163370,"lithium;disodium;5-benzamido-3-[[5-[[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl]-1-sulfonatonaphthalen-2-yl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate",[Li+].C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=C3O)N=NC4=C(C5=CC=CC(=C5C=C4)CNC6=C(C(=NC(=N6)F)F)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C32H21ClF2N6O11S3.Li.2Na/c33-25-29(34)38-32(35)39-30(25)36-14-16-7-4-8-20-19(16)9-10-21(28(20)55(50,51)52)40-41-26-23(54(47,48)49)12-17-11-18(53(44,45)46)13-22(24(17)27(26)42)37-31(43)15-5-2-1-3-6-15;;;/h1-13,42H,14H2,(H,37,43)(H,36,38,39)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;/q;3*+1/p-3",KRTUYRMTBNLSFO-UHFFFAOYSA-K,C32H18ClF2LiN6Na2O11S3,885.1,883.9807699,,309,1690,0,3,18,7,58,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,7-NAPHTHALENEDISULFONIC ACID, 4-(BENZOYLAMINO)-6-[[5-[[(5-CHLORO-2,6-DIFLUOR",083400-11-7,135853621,"lithium;sodium;4-benzamido-6-[[5-[[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl]-1-sulfonaphthalen-2-yl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonate",[Li+].C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)S(=O)(=O)[O-])C=C(C(=C3O)N=NC4=C(C5=CC=CC(=C5C=C4)CNC6=C(C(=NC(=N6)F)F)Cl)S(=O)(=O)O)S(=O)(=O)[O-].[Na+],"InChI=1S/C32H21ClF2N6O11S3.Li.Na/c33-25-29(34)38-32(35)39-30(25)36-14-16-7-4-8-18-17(16)9-10-21(28(18)55(50,51)52)40-41-26-23(54(47,48)49)13-19-22(53(44,45)46)12-11-20(24(19)27(26)42)37-31(43)15-5-2-1-3-6-15;;/h1-13,42H,14H2,(H,37,43)(H,36,38,39)(H,44,45,46)(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2",ATAHBSHPDKSOKS-UHFFFAOYSA-L,C32H19ClF2LiN6NaO11S3,863.1,861.9988257,,306,1700,0,4,18,8,57,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENESULFONIC ACID, 4-[[2-[[2,5-DIMETHOXY-4-[[2-(SULFOOXY)ETHYL]SULFONYL]PHE",094158-87-9,163631,"disodium;4-[[2-[[2,5-dimethoxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-3-oxobutanoyl]amino]-5-methoxy-2-methylbenzenesulfonate",CC1=CC(=C(C=C1S(=O)(=O)[O-])OC)NC(=O)C(C(=O)C)N=NC2=CC(=C(C=C2OC)S(=O)(=O)CCOS(=O)(=O)[O-])OC.[Na+].[Na+],"InChI=1S/C22H27N3O14S3.2Na/c1-12-8-14(16(36-3)10-19(12)41(30,31)32)23-22(27)21(13(2)26)25-24-15-9-18(38-5)20(11-17(15)37-4)40(28,29)7-6-39-42(33,34)35;;/h8-11,21H,6-7H2,1-5H3,(H,23,27)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2",TYTRTJJMRRUYPK-UHFFFAOYSA-L,C22H25N3Na2O14S3,697.6,697.0294046,,281,1260,0,1,16,12,44,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,1
"BUTANAMIDE, 2-[(4-METHOXY-2-NITROPHENYL)AZO]-N-(2-METHOXYPHENYL)-3-OXO-",006528-34-3,110892,2-[(4-methoxy-2-nitrophenyl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide,CC(=O)C(C(=O)NC1=CC=CC=C1OC)N=NC2=C(C=C(C=C2)OC)[N+](=O)[O-],"InChI=1S/C18H18N4O6/c1-11(23)17(18(24)19-14-6-4-5-7-16(14)28-3)21-20-13-9-8-12(27-2)10-15(13)22(25)26/h4-10,17H,1-3H3,(H,19,24)",UFORAEIAYCSGCR-UHFFFAOYSA-N,C18H18N4O6,386.4,386.1226343,3.3,135,593,0,1,8,7,28,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
NEOMYCIN SULFATE,001405-10-3,197162,"(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol;sulfuric acid",C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N.OS(=O)(=O)O,"InChI=1S/C23H46N6O13.H2O4S/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22;1-5(2,3)4/h5-23,30-36H,1-4,24-29H2;(H2,1,2,3,4)/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+;/m1./s1",OIXVKQDWLFHVGR-WQDIDPJDSA-N,C23H48N6O17S,712.7,712.2796653,,436,953,0,15,23,9,47,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,1,0,0,1,0,1
Neomycin B,119-04-0,8378,"(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol",C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N,"InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1",PGBHMTALBVVCIT-VCIWKGPPSA-N,C23H46N6O13,614.6,614.3122855,-9,353,872,0,13,19,9,42,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
CAPTAN,000133-06-2,8606,"2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione",C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl,"InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2",LDVVMCZRFWMZSG-UHFFFAOYSA-N,C9H8Cl3NO2S,300.6,298.934133,2.4,62.7,340,0,0,3,1,16,,"Decomposes (NTP, 1992)",1,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,1,0,0
BENZYL ETHER,000103-50-4,7657,phenylmethoxymethylbenzene,C1=CC=C(C=C1)COCC2=CC=CC=C2,"InChI=1S/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2",MHDVGSVTJDSBDK-UHFFFAOYSA-N,C14H14O,198.26,198.1044651,3.3,9.2,137,0,0,1,4,15,"275 °F (NTP, 1992)","568 °F at 760 mmHg (decomposes) (NTP, 1992)",1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"Ether, bis(2,6-dichlorobenzyl)",73927-56-7,52735,"1,3-dichloro-2-[(2,6-dichlorophenyl)methoxymethyl]benzene",C1=CC(=C(C(=C1)Cl)COCC2=C(C=CC=C2Cl)Cl)Cl,"InChI=1S/C14H10Cl4O/c15-11-3-1-4-12(16)9(11)7-19-8-10-13(17)5-2-6-14(10)18/h1-6H,7-8H2",ITFCEERPJPLHPQ-UHFFFAOYSA-N,C14H10Cl4O,336,335.945626,5.6,9.2,230,0,0,1,4,19,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
BUTADIENE SULFONE,000077-79-2,6498,"2,5-dihydrothiophene 1,1-dioxide",C1C=CCS1(=O)=O,"InChI=1S/C4H6O2S/c5-7(6)3-1-2-4-7/h1-2H,3-4H2",MBDNRNMVTZADMQ-UHFFFAOYSA-N,C4H6O2S,118.16,118.0088506,-0.2,42.5,156,0,0,2,0,7,"235 °F (NTP, 1992)","Decomposes (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Thiophene, 2,5-dihydro-2,4-dimethyl-, 1,1-dioxide",10033-92-8,24839,"2,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide",CC1C=C(CS1(=O)=O)C,"InChI=1S/C6H10O2S/c1-5-3-6(2)9(7,8)4-5/h3,6H,4H2,1-2H3",GVVBJZATNQKABB-UHFFFAOYSA-N,C6H10O2S,146.21,146.0401507,0.1,42.5,230,0,0,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"1,3,2-Dioxathiane, 5,5-dimethyl-, 2,2-dioxide",1755-97-1,120556,"5,5-dimethyl-1,3,2-dioxathiane 2,2-dioxide",CC1(COS(=O)(=O)OC1)C,"InChI=1S/C5H10O4S/c1-5(2)3-8-10(6,7)9-4-5/h3-4H2,1-2H3",TVAKWODGKZEADD-UHFFFAOYSA-N,C5H10O4S,166.2,166.02998,0.7,61,194,0,0,4,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,2-DIOXATHIANE, 2,2-DIOXIDE",001073-05-8,70623,"1,3,2-dioxathiane 2,2-dioxide",C1COS(=O)(=O)OC1,InChI=1S/C3H6O4S/c4-8(5)6-2-1-3-7-8/h1-3H2,OQYOVYWFXHQYOP-UHFFFAOYSA-N,C3H6O4S,138.14,137.9986798,-0.2,61,141,0,0,4,0,8,,,0,0,0,0,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 4-AMINO-6-[[4-[[[4-[(2,4-DIAMINOPHENYL)AZO]PHE",112484-44-3,135853860,"potassium;sodium;5-amino-3-[[4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]sulfamoyl]phenyl]diazenyl]-4-hydroxy-6-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate",C1=CC(=CC=C1NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(C4=C(C(=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC5=CC=C(C=C5)[N+](=O)[O-])N)O)N=NC6=C(C=C(C=C6)N)N.[Na+].[K+],"InChI=1S/C34H27N11O11S3.K.Na/c35-19-1-14-27(26(36)17-19)41-38-20-2-4-23(5-3-20)44-57(49,50)25-12-8-22(9-13-25)40-43-33-29(59(54,55)56)16-18-15-28(58(51,52)53)32(31(37)30(18)34(33)46)42-39-21-6-10-24(11-7-21)45(47)48;;/h1-17,44,46H,35-37H2,(H,51,52,53)(H,54,55,56);;/q;2*+1/p-2",MCMIIIYANPGVCV-UHFFFAOYSA-L,C34H25KN11NaO11S3,921.9,921.0431899,,404,1840,0,5,21,9,61,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 4-AMINO-6-[[4-[[[4-[(2,4-DIHYDROXYPHENYL)AZO]P",084878-17-1,135666549,"dipotassium;5-amino-3-[[4-[[4-[(2,4-dihydroxyphenyl)diazenyl]phenyl]sulfamoyl]phenyl]diazenyl]-4-hydroxy-6-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate",C1=CC(=CC=C1NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(C4=C(C(=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC5=CC=C(C=C5)[N+](=O)[O-])N)O)N=NC6=C(C=C(C=C6)O)O.[K+].[K+],"InChI=1S/C34H25N9O13S3.2K/c35-31-30-18(15-28(58(51,52)53)32(31)40-37-20-5-9-23(10-6-20)43(47)48)16-29(59(54,55)56)33(34(30)46)41-38-21-7-12-25(13-8-21)57(49,50)42-22-3-1-19(2-4-22)36-39-26-14-11-24(44)17-27(26)45;;/h1-17,42,44-46H,35H2,(H,51,52,53)(H,54,55,56);;/q;2*+1/p-2",JZZGLPWSAHWUNU-UHFFFAOYSA-L,C34H23K2N9O13S3,940,938.9851583,,392,1840,0,5,21,9,61,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANONE, 2-HYDROXY-1,2-DIPHENYL-, OXIME, (E)-",000574-13-0,5354084,"(2E)-2-hydroxyimino-1,2-diphenylethanol",C1=CC=C(C=C1)C(/C(=N/O)/C2=CC=CC=C2)O,"InChI=1S/C14H13NO2/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11/h1-10,14,16-17H/b15-13+",WAKHLWOJMHVUJC-FYWRMAATSA-N,C14H13NO2,227.26,227.0946287,2.4,52.8,253,0,2,3,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
FLURANDRENOLIDE,001524-88-5,15209,"(1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one",C[C@]12CCC(=O)C=C1[C@H](C[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CO)C)O)F,"InChI=1S/C24H33FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h7,13-14,16-17,19-20,26,28H,5-6,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1",POPFMWWJOGLOIF-XWCQMRHXSA-N,C24H33FO6,436.5,436.2261169,1.4,93.1,868,0,2,7,2,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Pregn-4-ene-3,20-dione, 21-chloro-9-fluoro-11-beta,16-alpha,17-trihydroxy-, cyclic16,17-acetal with acetone",3093-35-4,443943,"(1S,2S,4R,8S,9S,11S,12R,13S)-8-(2-chloroacetyl)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one",C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CCl)C)O)F,"InChI=1S/C24H32ClFO5/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,26)17(28)11-22(16,4)24(19,31-20)18(29)12-25/h9,15-17,19,28H,5-8,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1",MUQNGPZZQDCDFT-JNQJZLCISA-N,C24H32ClFO5,455,454.19223,3.6,72.8,887,0,1,6,2,31,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
DMT-D-GUANOSINE (N6-ISOBUTYRL) CYANOETHYL PHOSPHORAMIDITE,093183-15-4,135447702,"N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide",CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(N(C(C)C)C(C)C)OCCC#N,"InChI=1S/C44H54N7O8P/c1-28(2)41(52)48-43-47-40-39(42(53)49-43)46-27-50(40)38-25-36(59-60(57-24-12-23-45)51(29(3)4)30(5)6)37(58-38)26-56-44(31-13-10-9-11-14-31,32-15-19-34(54-7)20-16-32)33-17-21-35(55-8)22-18-33/h9-11,13-22,27-30,36-38H,12,24-26H2,1-8H3,(H2,47,48,49,52,53)/t36-,37+,38+,60?/m0/s1",FDRMKYVTIFSDPR-MMROLVBFSA-N,C44H54N7O8P,839.9,839.3771487,6.1,171,1440,0,2,12,19,60,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
IBU-DMT-DEOXYGUANOSINE,068892-41-1,135445746,"N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide",CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O,"InChI=1S/C35H37N5O7/c1-21(2)32(42)38-34-37-31-30(33(43)39-34)36-20-40(31)29-18-27(41)28(47-29)19-46-35(22-8-6-5-7-9-22,23-10-14-25(44-3)15-11-23)24-12-16-26(45-4)17-13-24/h5-17,20-21,27-29,41H,18-19H2,1-4H3,(H2,37,38,39,42,43)/t27-,28+,29+/m0/s1",RMQXDNUKLIDXOS-ZGIBFIJWSA-N,C35H37N5O7,639.7,639.2692985,4.1,146,1080,0,3,9,11,47,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZAMIDE, N-[(4-AMINOPHENYL)SULFONYL]-",000127-71-9,5319,N-(4-aminophenyl)sulfonylbenzamide,C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)N,"InChI=1S/C13H12N2O3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)",PBCZLFBEBARBBI-UHFFFAOYSA-N,C13H12N2O3S,276.31,276.0568634,0.7,97.6,402,0,2,4,3,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"BENZAMIDE, N-[(4-METHYLPHENYL)SULFONYL]-",006971-74-0,81439,N-(4-methylphenyl)sulfonylbenzamide,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC=CC=C2,"InChI=1S/C14H13NO3S/c1-11-7-9-13(10-8-11)19(17,18)15-14(16)12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)",SGJFNRQZMRIAJP-UHFFFAOYSA-N,C14H13NO3S,275.32,275.0616145,2.8,71.6,399,0,1,3,3,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-ANTHRACENESULFONIC ACID, 1-AMINO-9,10-DIHYDRO-9,10-DIOXO-4-[(2,2,4-TRIMETHYL",071873-46-6,23673682,"sodium 1-amino-9,10-dioxo-4-[(2,2,4-trimethylcyclohexyl)amino]anthracene-2-sulfonate",CC1CCC(C(C1)(C)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+],"InChI=1S/C23H26N2O5S.Na/c1-12-8-9-17(23(2,3)11-12)25-15-10-16(31(28,29)30)20(24)19-18(15)21(26)13-6-4-5-7-14(13)22(19)27;/h4-7,10,12,17,25H,8-9,11,24H2,1-3H3,(H,28,29,30);/q;+1/p-1",KSPFXLNLBJZQAH-UHFFFAOYSA-M,C23H25N2NaO5S,464.5,464.1381874,,138,842,0,2,7,3,32,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEMETHANAMINIUM, N-[4-[[4-(DIETHYLAMINO)PHENYL][4-[ETHYL[(3-SULFOPHENYL)M",006505-30-2,23679261,"sodium 3-[[4-[(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-[4-[ethyl-[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate",CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC(=C(C=C2)C(=C3C=CC(=[N+](CC)CC)C=C3)C4=C(C=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)[O-])C)C.[Na+],"InChI=1S/C43H49N3O6S2.Na/c1-7-44(8-2)36-19-17-35(18-20-36)43(41-23-21-37(25-31(41)5)45(9-3)29-33-13-11-15-39(27-33)53(47,48)49)42-24-22-38(26-32(42)6)46(10-4)30-34-14-12-16-40(28-34)54(50,51)52;/h11-28H,7-10,29-30H2,1-6H3,(H-,47,48,49,50,51,52);/q;+1",RAMNYUMITLZMIC-UHFFFAOYSA-N,C43H49N3NaO6S2+,791,790.2960479,,138,1580,1,1,8,14,55,,,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0
C.I. ACID VIOLET 49,001694-09-3,131849478,,CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=[N+](C)C)C=C3)C4=CC=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)[O-].[Na],"InChI=1S/C39H41N3O6S2.Na/c1-5-41(27-29-9-7-11-37(25-29)49(43,44)45)35-21-15-32(16-22-35)39(31-13-19-34(20-14-31)40(3)4)33-17-23-36(24-18-33)42(6-2)28-30-10-8-12-38(26-30)50(46,47)48;/h7-26H,5-6,27-28H2,1-4H3,(H-,43,44,45,46,47,48);",WTIXYDSCBZQJIC-UHFFFAOYSA-N,C39H41N3NaO6S2,734.9,734.2334477,,138,1440,0,1,8,11,51,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-PYRAN, TETRAHYDRO-2-METHYL-4-METHYLENE-6-PHENYL-",030310-41-9,121777,2-methyl-4-methylidene-6-phenyloxane,CC1CC(=C)CC(O1)C2=CC=CC=C2,"InChI=1S/C13H16O/c1-10-8-11(2)14-13(9-10)12-6-4-3-5-7-12/h3-7,11,13H,1,8-9H2,2H3",GXXCNAPXUOUUFX-UHFFFAOYSA-N,C13H16O,188.26,188.1201151,2.8,9.2,203,0,0,1,1,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2H-PYRAN, TETRAHYDRO-4-METHYLENE-2-PHENYL-",060335-74-2,108444,4-methylidene-2-phenyloxane,C=C1CCOC(C1)C2=CC=CC=C2,"InChI=1S/C12H14O/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h2-6,12H,1,7-9H2",XCZQYLKHFRXCPX-UHFFFAOYSA-N,C12H14O,174.24,174.1044651,2.4,9.2,180,0,0,1,1,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-Butanediol, dibenzoate",19224-27-2,29511,4-benzoyloxybutyl benzoate,C1=CC=C(C=C1)C(=O)OCCCCOC(=O)C2=CC=CC=C2,"InChI=1S/C18H18O4/c19-17(15-9-3-1-4-10-15)21-13-7-8-14-22-18(20)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2",YHOWYTOWCBNTHB-UHFFFAOYSA-N,C18H18O4,298.3,298.1205091,5.4,52.6,307,0,0,4,9,22,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"POLY(OXY-1,4-BUTANEDIYL), .ALPHA.-(4-AMINOBENZOYL)-.OMEGA.-[(4-AMINOBENZOYL)OX",054667-43-5,18401323,4-(4-aminobenzoyl)oxybutyl 4-aminobenzoate,C1=CC(=CC=C1C(=O)OCCCCOC(=O)C2=CC=C(C=C2)N)N,"InChI=1S/C18H20N2O4/c19-15-7-3-13(4-8-15)17(21)23-11-1-2-12-24-18(22)14-5-9-16(20)10-6-14/h3-10H,1-2,11-12,19-20H2",UCHUCWHZVSIPQI-UHFFFAOYSA-N,C18H20N2O4,328.4,328.1423071,4.1,105,362,0,2,6,9,24,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2H-PYRAN, 3,6-DIHYDRO-4,6-DIMETHYL-2-PHENYL-",068039-41-8,107070,"4,6-dimethyl-2-phenyl-3,6-dihydro-2H-pyran",CC1C=C(CC(O1)C2=CC=CC=C2)C,"InChI=1S/C13H16O/c1-10-8-11(2)14-13(9-10)12-6-4-3-5-7-12/h3-8,11,13H,9H2,1-2H3",SQVJYNSGAXORSQ-UHFFFAOYSA-N,C13H16O,188.26,188.1201151,2.6,9.2,213,0,0,1,1,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2H-PYRAN, 3,6-DIHYDRO-4-METHYL-2-PHENYL-",060335-71-9,108443,"4-methyl-2-phenyl-3,6-dihydro-2H-pyran",CC1=CCOC(C1)C2=CC=CC=C2,"InChI=1S/C12H14O/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h2-7,12H,8-9H2,1H3",SWOPLXXJAVYFPY-UHFFFAOYSA-N,C12H14O,174.24,174.1044651,2.2,9.2,189,0,0,1,1,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"N-[2,4-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]-methanesulfonamide",122836-35-5,86369,"N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide",CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)NS(=O)(=O)C)Cl)Cl,"InChI=1S/C11H10Cl2F2N4O3S/c1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13/h3-4,10,17H,1-2H3",OORLZFUTLGXMEF-UHFFFAOYSA-N,C11H10Cl2F2N4O3S,387.2,385.9818731,2.3,90.5,613,0,1,7,4,23,,,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0
"BENZENEMETHANAMINIUM, N,N,N-TRIBUTYL-, SALT WITH 4-HYDROXY-1-NAPHTHALENESULFON",102561-46-6,124610,benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate,CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1.C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])O,"InChI=1S/C19H34N.C10H8O4S/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h10-14H,4-9,15-18H2,1-3H3;1-6,11H,(H,12,13,14)/q+1;/p-1",XVJXBJTXFXPQAN-UHFFFAOYSA-M,C29H41NO4S,499.7,499.27563,,85.8,502,0,1,4,11,35,,,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEDIAZONIUM, 4-CHLORO-2-METHYL-, 1,5-NAPHTHALENEDISULFONATE (1:1)",051503-28-7,2724083,4-chloro-2-methylbenzenediazonium;5-sulfonaphthalene-1-sulfonate,CC1=C(C=CC(=C1)Cl)[N+]#N.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)O,"InChI=1S/C10H8O6S2.C7H6ClN2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;1-5-4-6(8)2-3-7(5)10-9/h1-6H,(H,11,12,13)(H,14,15,16);2-4H,1H3/q;+1/p-1",YKRLYXJCIARNKF-UHFFFAOYSA-M,C17H13ClN2O6S2,440.9,439.9903562,,156,644,0,1,7,1,28,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butanedioic acid, bis(2-carboxyphenyl) ester",578-19-8,65042,2-[4-(2-carboxyphenoxy)-4-oxobutanoyl]oxybenzoic acid,C1=CC=C(C(=C1)C(=O)O)OC(=O)CCC(=O)OC2=CC=CC=C2C(=O)O,"InChI=1S/C18H14O8/c19-15(25-13-7-3-1-5-11(13)17(21)22)9-10-16(20)26-14-8-4-2-6-12(14)18(23)24/h1-8H,9-10H2,(H,21,22)(H,23,24)",PREOBXYMXLETCA-UHFFFAOYSA-N,C18H14O8,358.3,358.0688674,2,127,495,0,2,8,9,26,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"12H-DIBENZO[D,G][1,3,2]DIOXAPHOSPHOCIN, 2,4,8,10-TETRAKIS(1,1-DIMETHYLETHYL)-6",118337-09-0,86348,"1,3,7,9-tetratert-butyl-11-fluoro-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocine",CC1C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)OP(OC3=C1C=C(C=C3C(C)(C)C)C(C)(C)C)F,"InChI=1S/C30H44FO2P/c1-18-21-14-19(27(2,3)4)16-23(29(8,9)10)25(21)32-34(31)33-26-22(18)15-20(28(5,6)7)17-24(26)30(11,12)13/h14-18H,1-13H3",MYMKXVFDVQUQLG-UHFFFAOYSA-N,C30H44FO2P,486.6,486.3062958,11.2,18.5,637,0,0,3,4,34,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
BLEOMYCIN SULFATE,009041-93-4,71587153,"3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium;sulfuric acid",CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O.OS(=O)(=O)O,"InChI=1S/C55H83N17O21S3.H2O4S/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6;1-5(2,3)4/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88);(H2,1,2,3,4)/p+1/t21-,22+,23+,24-,25-,29-,30+,34-,35-,36-,37+,38+,39-,40-,41-,42-,43-,53+,54-;/m0./s1",WUIABRMSWOKTOF-OYALTWQYSA-O,C55H86N17O25S4+,1513.6,1512.486361,,768,2660,1,22,35,36,101,,,0,0,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0
DIENESTROL,000084-17-3,667476,"4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol",C/C=C(/C(=C/C)/C1=CC=C(C=C1)O)\C2=CC=C(C=C2)O,"InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+",NFDFQCUYFHCNBW-SCGPFSFSSA-N,C18H18O2,266.3,266.1306798,5.4,40.5,318,0,2,2,3,20,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Phenol, 4,4'-(diethylideneethylene)di-, diacetate",84-19-5,5805243,"[4-[(2E,4E)-4-(4-acetyloxyphenyl)hexa-2,4-dien-3-yl]phenyl] acetate",C/C=C(/C(=C/C)/C1=CC=C(C=C1)OC(=O)C)\C2=CC=C(C=C2)OC(=O)C,"InChI=1S/C22H22O4/c1-5-21(17-7-11-19(12-8-17)25-15(3)23)22(6-2)18-9-13-20(14-10-18)26-16(4)24/h5-14H,1-4H3/b21-5+,22-6+",YWLLGDVBTLPARJ-OXAZHYLESA-N,C22H22O4,350.4,350.1518092,5.6,52.6,494,0,0,4,7,26,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
17-hydroxy-19-Nor-17-alpha-pregn-5(10)-en-20-yn-3-one,000068-23-5,6231,"(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3CCC(=O)C4,"InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,16-18,22H,4-12H2,2H3/t16-,17-,18+,19+,20+/m1/s1",ICTXHFFSOAJUMG-SLHNCBLASA-N,C20H26O2,298.4,298.1932801,2.1,37.3,606,0,1,2,1,22,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"19-Norpregn-5(10)-en-20-yn-3-one, 17-hydroxy-7-methyl-, (7-alpha,17-alpha)-",5630-53-5,444008,"(7R,8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one",C[C@@H]1CC2=C(CCC(=O)C2)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O,"InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1",WZDGZWOAQTVYBX-XOINTXKNSA-N,C21H28O2,312.4,312.2089301,2.4,37.3,635,0,1,2,1,23,,,0,0,0,0,0,1,0,1,0,0,0,0,0,1,0,0,0,0,1,0
BISAZOBIPHENYL DYE,003567-65-5,19114,"disodium;7-hydroxy-8-[[4-[4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,3-disulfonate",CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=C(C=CC6=CC(=CC(=C65)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+],"InChI=1S/C35H26N4O10S3.2Na/c1-22-2-17-30(18-3-22)52(47,48)49-29-15-13-28(14-16-29)37-36-26-9-4-23(5-10-26)24-6-11-27(12-7-24)38-39-35-32(40)19-8-25-20-31(50(41,42)43)21-33(34(25)35)51(44,45)46;;/h2-21,40H,1H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2",SVSHEAJPDAGGCC-UHFFFAOYSA-L,C35H24N4Na2O10S3,802.8,802.0449951,,253,1530,0,1,14,8,54,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2,7-Naphthalenedisulfonic acid, 3-amino-4-((4'-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-, disodium salt",2429-80-3,17063,"disodium;3-amino-4-[[4-[4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate",CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=C6C=CC(=CC6=CC(=C5N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C35H27N5O9S3.2Na/c1-22-2-16-30(17-3-22)52(47,48)49-29-14-12-28(13-15-29)38-37-26-8-4-23(5-9-26)24-6-10-27(11-7-24)39-40-35-32-19-18-31(50(41,42)43)20-25(32)21-33(34(35)36)51(44,45)46;;/h2-21H,36H2,1H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2",NJXPQVNXQNPYRT-UHFFFAOYSA-L,C35H25N5Na2O9S3,801.8,801.0609795,,258,1540,0,1,14,8,54,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
EQUILIN (SODIUM EQUILIN SULFATE),016680-47-0,23676225,"sodium [(9S,13S,14S)-13-methyl-17-oxo-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate",C[C@]12CC[C@H]3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)[O-])[C@@H]1CCC2=O.[Na+],"InChI=1S/C18H20O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,16+,18+;/m1./s1",QTTMOCOWZLSYSV-QWAPEVOJSA-M,C18H19NaO5S,370.4,370.0850892,,91.9,682,0,0,5,2,25,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Estra-1,3,5(10),7-tetraen-17-one, 3-hydroxy-",474-86-2,223368,"(9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one",C[C@]12CC[C@H]3C(=CCC4=C3C=CC(=C4)O)[C@@H]1CCC2=O,"InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1",WKRLQDKEXYKHJB-HFTRVMKXSA-N,C18H20O2,268.3,268.1463299,2.9,37.3,466,0,1,2,0,20,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
N-[4-(5-NITRO-2-FURYL)-2-THIAZOLYL] ACETAMIDE,000531-82-8,10753,"N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide",CC(=O)NC1=NC(=CS1)C2=CC=C(O2)[N+](=O)[O-],"InChI=1S/C9H7N3O4S/c1-5(13)10-9-11-6(4-17-9)7-2-3-8(16-7)12(14)15/h2-4H,1H3,(H,10,11,13)",GYRMPDLIHUXUIG-UHFFFAOYSA-N,C9H7N3O4S,253.24,253.0157269,1.4,129,322,0,1,6,2,17,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-(2-FORMYLHYDRAZINE)-4-(5-NITRO-2-FURYL)THIAZOLE,003570-75-0,3607071,"N-[[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]amino]formamide",C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NNC=O,"InChI=1S/C8H6N4O4S/c13-4-9-11-8-10-5(3-17-8)6-1-2-7(16-6)12(14)15/h1-4H,(H,9,13)(H,10,11)",DUWYZHLZDVCZIO-UHFFFAOYSA-N,C8H6N4O4S,254.23,254.0109759,1.7,141,300,0,2,7,3,17,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
(6-HYDROXY-2-(4-HYDROXYPHENYL)BENZO(B)THIEN-3-YL)(4-(2-(1-PIPERIDINYL)ETHOXY)PHENYL)METHANONE HYDROCHLORIDE,082640-04-8,54900,[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride,C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O.Cl,"InChI=1S/C28H27NO4S.ClH/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29;/h4-13,18,30-31H,1-3,14-17H2;1H",BKXVVCILCIUCLG-UHFFFAOYSA-N,C28H28ClNO4S,510,509.1427572,,98.2,655,0,3,6,7,35,,,1,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Methanone, (6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)-",84449-90-1,5035,[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone,C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O,"InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2",GZUITABIAKMVPG-UHFFFAOYSA-N,C28H27NO4S,473.6,473.1660795,6.1,98.2,655,0,2,6,7,34,,,0,1,1,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
"2-NAPHTHALENESULFONIC ACID, 7-[[4,6-BIS[[3-(DIETHYLAMINO)PROPYL]AMINO]-1,3,5-T",071032-95-6,116981,"acetic acid;7-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-2-sulfonic acid",CCN(CC)CCCNC1=NC(=NC(=N1)NC2=CC3=CC(=C(C(=C3C=C2)O)N=NC4=CC=C(C=C4)N=NC5=CC=CC=C5)S(=O)(=O)O)NCCCN(CC)CC.CC(=O)O,"InChI=1S/C39H50N12O4S.C2H4O2/c1-5-50(6-2)24-12-22-40-37-43-38(41-23-13-25-51(7-3)8-4)45-39(44-37)42-32-20-21-33-28(26-32)27-34(56(53,54)55)35(36(33)52)49-48-31-18-16-30(17-19-31)47-46-29-14-10-9-11-15-29;1-2(3)4/h9-11,14-21,26-27,52H,5-8,12-13,22-25H2,1-4H3,(H,53,54,55)(H3,40,41,42,43,44,45);1H3,(H,3,4)",QOJOEFSUDMHIOC-UHFFFAOYSA-N,C41H54N12O6S,843,842.4009987,,251,1270,0,6,18,21,60,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENESULFONIC ACID, 7-[[4-CHLORO-6-(DODECYLAMINO)-1,3,5-TRIAZIN-2-YL]A",145703-76-0,136170917,"disodium;7-[[4-chloro-6-(dodecylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonate",CCCCCCCCCCCCNC1=NC(=NC(=N1)Cl)NC2=CC3=CC(=C(C(=C3C=C2)O)N=NC4=CC=C(C=C4)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C37H42ClN9O7S2.2Na/c1-2-3-4-5-6-7-8-9-10-11-22-39-36-41-35(38)42-37(43-36)40-29-18-21-31-25(23-29)24-32(56(52,53)54)33(34(31)48)47-46-27-14-12-26(13-15-27)44-45-28-16-19-30(20-17-28)55(49,50)51;;/h12-21,23-24,48H,2-11,22H2,1H3,(H,49,50,51)(H,52,53,54)(H2,39,40,41,42,43);;/q;2*+1/p-2",VDKPMRJPMMEELL-UHFFFAOYSA-L,C37H40ClN9Na2O7S2,868.3,867.1976033,,264,1410,0,3,16,18,58,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pregna-1,4,6-triene-3,20-dione, 6-chloro-17-alpha-hydroxy-, acetate (ester)",,10135765,"[(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl] acetate",CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)C=C[C@]34C)Cl)C)OC(=O)C,"InChI=1S/C23H27ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h5,8,11-12,16-18H,6-7,9-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1",CGBCCZZJVKUAMX-DFXBJWIESA-N,C23H27ClO4,402.9,402.159787,3.8,60.4,868,0,0,4,3,28,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
Streptomycin-,000057-92-1,19649,"2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine",C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(C=O)O,"InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1",UCSJYZPVAKXKNQ-HZYVHMACSA-N,C21H39N7O12,581.6,581.2656697,-8,336,940,0,12,15,9,40,,872.9∓75.0°C at 760 mmHg,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Streptomycin, dihydro-, sulfate",1425-61-2,121459,"2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine;sulfuric acid",C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(CO)O.OS(=O)(=O)O,"InChI=1S/C21H41N7O12.H2O4S/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;1-5(2,3)4/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28);(H2,1,2,3,4)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;/m0./s1",GSPKOIJAMLDYCY-RMIBZTJPSA-N,C21H43N7O16S,681.7,681.2486995,,423,993,0,15,19,9,45,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Pregna-1,4-diene-3,20-dione, 16,17-(((R)-cyclohexylmethylene)bis(oxy))-11,21-dihydroxy-, (11-beta,16-alpha)-",161115-59-9,6918281,"(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-cyclohexyl-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one",C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(O[C@@H](O4)C5CCCCC5)C(=O)CO)CCC6=CC(=O)C=C[C@]36C)O,"InChI=1S/C28H38O6/c1-26-11-10-18(30)12-17(26)8-9-19-20-13-23-28(22(32)15-29,27(20,2)14-21(31)24(19)26)34-25(33-23)16-6-4-3-5-7-16/h10-12,16,19-21,23-25,29,31H,3-9,13-15H2,1-2H3/t19-,20-,21-,23+,24+,25+,26-,27-,28+/m0/s1",OXPLANUPKBHPMS-ZXBNPROVSA-N,C28H38O6,470.6,470.2668389,3.7,93.1,949,0,2,6,3,34,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Luteinizing hormone-releasing factor (swine), 6-D-tryptophan-",57773-63-4,25074470,(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide,CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8,"InChI=1S/C64H82N18O13/c1-34(2)23-46(56(88)75-45(13-7-21-69-64(66)67)63(95)82-22-8-14-52(82)62(94)72-31-53(65)85)76-58(90)48(25-36-28-70-42-11-5-3-9-40(36)42)78-57(89)47(24-35-15-17-39(84)18-16-35)77-61(93)51(32-83)81-59(91)49(26-37-29-71-43-12-6-4-10-41(37)43)79-60(92)50(27-38-30-68-33-73-38)80-55(87)44-19-20-54(86)74-44/h3-6,9-12,15-18,28-30,33-34,44-52,70-71,83-84H,7-8,13-14,19-27,31-32H2,1-2H3,(H2,65,85)(H,68,73)(H,72,94)(H,74,86)(H,75,88)(H,76,90)(H,77,93)(H,78,89)(H,79,92)(H,80,87)(H,81,91)(H4,66,67,69)/t44-,45-,46-,47-,48+,49-,50-,51-,52-/m0/s1",VXKHXGOKWPXYNA-PGBVPBMZSA-N,C64H82N18O13,1311.4,1310.630875,-0.3,490,2710,0,17,15,33,95,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Pregna-1,4-diene-3,20-dione, 9,21-dichloro-17-((2-furanylcarbonyl)oxy)-11-hydr",083919-23-7,441336,"[(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate",C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)OC(=O)C5=CC=CO5)C)O)Cl)C,"InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1",WOFMFGQZHJDGCX-ZULDAHANSA-N,C27H30Cl2O6,521.4,520.1419441,3.9,93.8,1020,0,1,6,5,35,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,1
BORON SODIUM OXIDE (B8NA2O13),012008-41-2,90479350,"disodium;(9,11-dioxido-5-oxoboranyloxy-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexaborabicyclo[5.5.1]tridecan-3-yl)oxy-oxoborane",B(=O)OB1OB2OB(OB(OB(O2)OB(O1)OB=O)[O-])[O-].[Na+].[Na+],InChI=1S/B8O13.2Na/c9-1-13-5-18-6(14-2-10)20-8-17-4(12)15-3(11)16-7(19-5)21-8;;/q-2;2*+1,CGCGPGRQKOPVHP-UHFFFAOYSA-N,B8Na2O13,340.5,340.9915016,,163,319,0,0,13,2,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
5-HYDROXYTRYPTAMINE CREATININE SULFATE,000971-74-4,245870,3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-methyl-4H-imidazol-5-one;sulfuric acid,CN1CC(=O)N=C1N.C1=CC2=C(C=C1O)C(=CN2)CCN.OS(=O)(=O)O,"InChI=1S/C10H12N2O.C4H7N3O.H2O4S/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;1-7-2-3(8)6-4(7)5;1-5(2,3)4/h1-2,5-6,12-13H,3-4,11H2;2H2,1H3,(H2,5,6,8);(H2,1,2,3,4)",WFZKRNIMSVDNBU-UHFFFAOYSA-N,C14H21N5O6S,387.41,387.1212546,,204,407,0,6,7,2,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
SEROTONIN CREATININE SULFATE MONOHYDRATE,000061-47-2,164531,3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-methyl-4H-imidazol-5-one;sulfuric acid;hydrate,CN1CC(=O)N=C1N.C1=CC2=C(C=C1O)C(=CN2)CCN.O.OS(=O)(=O)O,"InChI=1S/C10H12N2O.C4H7N3O.H2O4S.H2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;1-7-2-3(8)6-4(7)5;1-5(2,3)4;/h1-2,5-6,12-13H,3-4,11H2;2H2,1H3,(H2,5,6,8);(H2,1,2,3,4);1H2",BKCXVJIGPVULPX-UHFFFAOYSA-N,C14H23N5O7S,405.43,405.1318193,,205,407,0,7,8,2,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"4(3H)-Pyrimidinone, 6-phenyl-",,135418832,4-phenyl-1H-pyrimidin-6-one,C1=CC=C(C=C1)C2=CC(=O)NC=N2,"InChI=1S/C10H8N2O/c13-10-6-9(11-7-12-10)8-4-2-1-3-5-8/h1-7H,(H,11,12,13)",OATNBMJACLEOTB-UHFFFAOYSA-N,C10H8N2O,172.18,172.0636629,0.9,41.5,262,0,1,2,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(2-((1-(ethoxycarbonyl)-3-",082586-55-8,54891,"(3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;hydrochloride",CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)O.Cl,"InChI=1S/C25H30N2O5.ClH/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30;/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30);1H/t17-,21-,22-;/m0./s1",IBBLRJGOOANPTQ-JKVLGAQCSA-N,C25H31ClN2O5,475,474.1921498,,95.9,648,0,3,6,10,33,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)-, monohydrochloride, (3S-(2(R*(R*)),3R*))-",82586-52-5,54889,"(3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;hydrochloride",CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CC3=CC(=C(C=C3C[C@H]2C(=O)O)OC)OC.Cl,"InChI=1S/C27H34N2O7.ClH/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-16-20-15-24(35-4)23(34-3)14-19(20)13-22(29)26(31)32;/h6-10,14-15,17,21-22,28H,5,11-13,16H2,1-4H3,(H,31,32);1H/t17-,21-,22-;/m0./s1",JXRAXHBVZQZSIC-JKVLGAQCSA-N,C27H35ClN2O7,535,534.2132792,,114,742,0,3,8,12,37,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Naphthalenecarboxylic acid, 6-(4-hydroxy-3-tricyclo(3.3.1.1(3,7))dec-1-ylphe",125316-60-1,135411,6-[3-(1-adamantyl)-4-hydroxyphenyl]naphthalene-2-carboxylic acid,C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O)O,"InChI=1S/C27H26O3/c28-25-6-5-22(20-1-2-21-11-23(26(29)30)4-3-19(21)10-20)12-24(25)27-13-16-7-17(14-27)9-18(8-16)15-27/h1-6,10-12,16-18,28H,7-9,13-15H2,(H,29,30)",LDGIHZJOIQSHPB-UHFFFAOYSA-N,C27H26O3,398.5,398.1881947,7.4,57.5,630,0,2,3,3,30,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2-Naphthalenecarboxylic acid, 6-(4-methoxy-3-tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl)-",106685-40-9,60164,6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid,COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5,"InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)",LZCDAPDGXCYOEH-UHFFFAOYSA-N,C28H28O3,412.5,412.2038448,7.7,46.5,644,0,1,3,4,31,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,1,0,1
FLUXAPYROXAD,907204-31-3,16095400,"3-(difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide",CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2C3=CC(=C(C(=C3)F)F)F,"InChI=1S/C18H12F5N3O/c1-26-8-11(16(25-26)17(22)23)18(27)24-14-5-3-2-4-10(14)9-6-12(19)15(21)13(20)7-9/h2-8,17H,1H3,(H,24,27)",SXSGXWCSHSVPGB-UHFFFAOYSA-N,C18H12F5N3O,381.3,381.0900528,3.7,46.9,513,0,1,7,4,27,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
FOSINOPRIL,098048-97-6,9601226,"(2S,4S)-4-cyclohexyl-1-[2-[[(1S)-2-methyl-1-propanoyloxypropoxy]-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylic acid",CCC(=O)O[C@H](C(C)C)O[P@](=O)(CCCCC1=CC=CC=C1)CC(=O)N2C[C@@H](C[C@H]2C(=O)O)C3CCCCC3,"InChI=1S/C30H46NO7P/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35)/t25-,26+,30+,39-/m1/s1",BIDNLKIUORFRQP-XYGFDPSESA-N,C30H46NO7P,563.7,563.3011898,6.2,110,850,0,1,7,15,39,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"L-Proline, 4-cyclohexyl-1-(((R)-((1S)-2-methyl-1-(1-oxopropoxy)propoxy)(4-phenylbutyl)phosphinyl)acetyl)-, sodium salt, (4S)-",88889-14-9,23681451,"sodium (2S,4S)-4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxypropoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylate",CCC(=O)OC(C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2C[C@@H](C[C@H]2C(=O)[O-])C3CCCCC3.[Na+],"InChI=1S/C30H46NO7P.Na/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24;/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35);/q;+1/p-1/t25-,26+,30?,39?;/m1./s1",TVTJZMHAIQQZTL-HREVRLCXSA-M,C30H45NNaO7P,585.6,585.2831341,,113,857,0,0,7,15,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"5-(2-(4-(1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)ETHYL)-6-CHLORO-1,3-DIHYDRO-2H-INDOL-2-ONE",146939-27-7,60854,"5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one",C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54,"InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)",MVWVFYHBGMAFLY-UHFFFAOYSA-N,C21H21ClN4OS,412.9,412.1124602,4,76.7,573,0,1,5,4,28,-2 °C (28 °F) - closed cup,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-((2,3-dihydro-1,4-benzo",077883-43-3,62978,"[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone;methanesulfonic acid",COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)N)OC.CS(=O)(=O)O,"InChI=1S/C23H25N5O5.CH4O3S/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20;1-5(2,3)4/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26);1H3,(H,2,3,4)",VJECBOKJABCYMF-UHFFFAOYSA-N,C24H29N5O8S,547.6,547.1736841,,175,770,0,2,12,4,38,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-((2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl)-",74191-85-8,3157,"[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone",COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)N)OC,"InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)",RUZYUOTYCVRMRZ-UHFFFAOYSA-N,C23H25N5O5,451.5,451.1855689,2.5,112,678,0,1,9,4,33,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,1,0
"2,7-Phenanthrenediol, 9,10-dihydro-4-methoxy-",82344-82-9,11390848,"4-methoxy-9,10-dihydrophenanthrene-2,7-diol",COC1=CC(=CC2=C1C3=C(CC2)C=C(C=C3)O)O,"InChI=1S/C15H14O3/c1-18-14-8-12(17)7-10-3-2-9-6-11(16)4-5-13(9)15(10)14/h4-8,16-17H,2-3H2,1H3",OPPGAHUCKDKQJR-UHFFFAOYSA-N,C15H14O3,242.27,242.0942943,3.1,49.7,293,0,2,3,1,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-DIHYDROPHENANTHRENE",000776-35-2,13058,"9,10-dihydrophenanthrene",C1CC2=CC=CC=C2C3=CC=CC=C31,"InChI=1S/C14H12/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-8H,9-10H2",XXPBFNVKTVJZKF-UHFFFAOYSA-N,C14H12,180.24,180.0939004,4.5,0,174,0,0,0,0,14,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"6-AZABICYCLO[3.2.1]OCTANE, 1,3,3-TRIMETHYL-",053460-46-1,103787,"1,3,3-trimethyl-6-azabicyclo[3.2.1]octane",CC1(CC2CC(C1)(CN2)C)C,"InChI=1S/C10H19N/c1-9(2)4-8-5-10(3,6-9)7-11-8/h8,11H,4-7H2,1-3H3",FRAKHUZTNLUGPB-UHFFFAOYSA-N,C10H19N,153.26,153.1517496,2.3,12,174,0,1,1,0,11,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"6-Azabicyclo(3.2.1)octane, 6,7-dimethyl-1-(m-hydroxyphenyl)-, acetate (ester), (+)-,hydrochloride",,549419,6-azabicyclo[3.2.1]octane,C1CC2CC(C1)NC2,"InChI=1S/C7H13N/c1-2-6-4-7(3-1)8-5-6/h6-8H,1-5H2",VJPPDEZWWKCSIV-UHFFFAOYSA-N,C7H13N,111.18,111.1047994,1.1,12,90,0,1,1,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, N-(p-(2-(dimethylamino)ethoxy)benzyl)-3,4,5-trimethoxy-, hydrochloride",554-92-7,68385,"N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride",CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl,"InChI=1S/C21H28N2O5.ClH/c1-23(2)10-11-28-17-8-6-15(7-9-17)14-22-21(24)16-12-18(25-3)20(27-5)19(13-16)26-4;/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24);1H",WIIZEEPFHXAUND-UHFFFAOYSA-N,C21H29ClN2O5,424.9,424.1764997,,69.3,440,0,2,6,10,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"1,3-DIOXOLANE, 2,4-DIMETHYL-2-(5,6,7,8-TETRAHYDRO-3,5,5,6,8,8-HEXAMETHYL-2-NAP",131812-48-1,19912837,"2-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxolane",CC1CC(C2=C(C1(C)C)C=C(C(=C2)C3(OCC(O3)C)C)C)(C)C,"InChI=1S/C21H32O2/c1-13-9-18-17(19(4,5)11-14(2)20(18,6)7)10-16(13)21(8)22-12-15(3)23-21/h9-10,14-15H,11-12H2,1-8H3",OKMNDOGDSXEHMU-UHFFFAOYSA-N,C21H32O2,316.5,316.2402303,5.7,18.5,455,0,0,2,1,23,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-DIOXOLANE, 2,4-DIMETHYL-2-(5,6,7,8-TETRAHYDRO-5,5,8,8-TETRAMETHYL-2-NAPHTH",131812-67-4,3034278,"2,4-dimethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolane",CC1COC(O1)(C)C2=CC3=C(C=C2)C(CCC3(C)C)(C)C,"InChI=1S/C19H28O2/c1-13-12-20-19(6,21-13)14-7-8-15-16(11-14)18(4,5)10-9-17(15,2)3/h7-8,11,13H,9-10,12H2,1-6H3",JEPWTUCYPWOCQV-UHFFFAOYSA-N,C19H28O2,288.4,288.2089301,5.1,18.5,400,0,0,2,1,21,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Imidazo(1,2-a)pyridine-3-sulfonamide, 2-chloro-N-(((4,6-dimethoxy- 2-pyrimidin",122548-33-8,92433,"1-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea",COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(N=C3N2C=CC=C3)Cl)OC,"InChI=1S/C14H13ClN6O5S/c1-25-9-7-10(26-2)18-13(17-9)19-14(22)20-27(23,24)12-11(15)16-8-5-3-4-6-21(8)12/h3-7H,1-2H3,(H2,17,18,19,20,22)",NAGRVUXEKKZNHT-UHFFFAOYSA-N,C14H13ClN6O5S,412.8,412.0356664,3,145,622,0,2,8,5,27,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Imidazo(1,2-a)pyridine-3-sulfonamide, N-(((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)-2-(ethylsulfonyl)-",141776-32-1,86426,"1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea",CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC,"InChI=1S/C16H18N6O7S2/c1-4-30(24,25)13-14(22-8-6-5-7-10(22)17-13)31(26,27)21-16(23)20-15-18-11(28-2)9-12(19-15)29-3/h5-9H,4H2,1-3H3,(H2,18,19,20,21,23)",RBSXHDIPCIWOMG-UHFFFAOYSA-N,C16H18N6O7S2,470.5,470.0678393,1.9,188,831,0,2,10,7,31,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
SPINOSAD: SPINOSYN D,131929-63-0,183094,"(1S,2S,5R,7S,9S,10S,14R,15S,19S)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-4,14-dimethyl-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione",CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C(=C[C@H]3[C@@H]2CC(=O)O1)C)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C,"InChI=1S/C42H67NO10/c1-11-26-13-12-14-35(53-37-16-15-34(43(6)7)24(4)49-37)23(3)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(2)28-18-27(19-30(28)31)52-42-41(48-10)40(47-9)39(46-8)25(5)50-42/h17,20,23-32,34-35,37,39-42H,11-16,18-19,21H2,1-10H3/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+/m1/s1",RDECBWLKMPEKPM-PSCJHHPTSA-N,C42H67NO10,746,745.4764973,4.8,111,1330,0,0,11,9,53,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
SPINOSAD: SPINOSYN A,131929-60-7,443059,"(1S,2R,5S,7R,9R,10S,14R,15S,19S)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-14-methyl-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione",CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C,"InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m1/s1",SRJQTHAZUNRMPR-UYQKXTDMSA-N,C41H65NO10,732,731.4608473,4.9,111,1290,0,0,11,9,52,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHOSPHORIC ACID, 1,3-PHENYLENE TETRAPHENYL ESTER",057583-54-7,93311,(3-diphenoxyphosphoryloxyphenyl) diphenyl phosphate,C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC(=CC=C3)OP(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5,"InChI=1S/C30H24O8P2/c31-39(33-25-14-5-1-6-15-25,34-26-16-7-2-8-17-26)37-29-22-13-23-30(24-29)38-40(32,35-27-18-9-3-10-19-27)36-28-20-11-4-12-21-28/h1-24H",OWICEWMBIBPFAH-UHFFFAOYSA-N,C30H24O8P2,574.5,574.0946417,7.6,89.5,718,0,0,8,12,40,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphoric acid, 1,3-phenylene tetrakis(2,6-dimethylphenyl) ester",139189-30-3,9874767,"[3-bis(2,6-dimethylphenoxy)phosphoryloxyphenyl] bis(2,6-dimethylphenyl) phosphate",CC1=C(C(=CC=C1)C)OP(=O)(OC2=CC(=CC=C2)OP(=O)(OC3=C(C=CC=C3C)C)OC4=C(C=CC=C4C)C)OC5=C(C=CC=C5C)C,"InChI=1S/C38H40O8P2/c1-25-14-9-15-26(2)35(25)43-47(39,44-36-27(3)16-10-17-28(36)4)41-33-22-13-23-34(24-33)42-48(40,45-37-29(5)18-11-19-30(37)6)46-38-31(7)20-12-21-32(38)8/h9-24H,1-8H3",YOLFSLXHLNWPKG-UHFFFAOYSA-N,C38H40O8P2,686.7,686.2198422,10.9,89.5,919,0,0,8,12,48,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
DARIDOREXANT HYDROCHLORIDE,1792993-84-0,91809208,[(2S)-2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone;hydrochloride,CC1=C(C=CC2=C1N=C(N2)[C@@]3(CCCN3C(=O)C4=C(C=CC(=C4)OC)N5N=CC=N5)C)Cl.Cl,"InChI=1S/C23H23ClN6O2.ClH/c1-14-17(24)6-7-18-20(14)28-22(27-18)23(2)9-4-12-29(23)21(31)16-13-15(32-3)5-8-19(16)30-25-10-11-26-30;/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,27,28);1H/t23-;/m0./s1",HJVGDXBEMFHGKI-BQAIUKQQSA-N,C23H24Cl2N6O2,487.4,486.1337794,,88.9,693,0,2,5,4,33,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DARIDOREXANT,1505484-82-1,91801202,[(2S)-2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone,CC1=C(C=CC2=C1N=C(N2)[C@@]3(CCCN3C(=O)C4=C(C=CC(=C4)OC)N5N=CC=N5)C)Cl,"InChI=1S/C23H23ClN6O2/c1-14-17(24)6-7-18-20(14)28-22(27-18)23(2)9-4-12-29(23)21(31)16-13-15(32-3)5-8-19(16)30-25-10-11-26-30/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,27,28)/t23-/m0/s1",NBGABHGMJVIVBW-QHCPKHFHSA-N,C23H23ClN6O2,450.9,450.1571017,4.1,88.9,693,0,1,5,4,32,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,2-Dioxaphosphorinate, 5-butyl-5-ethyl-2-(2,4,6-tris(1,1-dimethylethyl)phenoxy)-",161717-32-4,10961369,"5-butyl-5-ethyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane",CCCCC1(COP(OC1)OC2=C(C=C(C=C2C(C)(C)C)C(C)(C)C)C(C)(C)C)CC,"InChI=1S/C27H47O3P/c1-12-14-15-27(13-2)18-28-31(29-19-27)30-23-21(25(6,7)8)16-20(24(3,4)5)17-22(23)26(9,10)11/h16-17H,12-15,18-19H2,1-11H3",HVDJXXVDNDLBQY-UHFFFAOYSA-N,C27H47O3P,450.6,450.3262824,9.7,27.7,522,0,0,3,9,31,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENESULFONIC ACID, 4-[4,5-DIHYDRO-3-METHYL-4-[[4-METHYL-3-[(PHENYLAMINO)SUL",006359-85-9,23675736,sodium 4-[3-methyl-4-[[4-methyl-3-(phenylsulfamoyl)phenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonate,CC1=C(C=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C)S(=O)(=O)NC4=CC=CC=C4.[Na+],"InChI=1S/C23H21N5O6S2.Na/c1-15-8-9-18(14-21(15)35(30,31)27-17-6-4-3-5-7-17)24-25-22-16(2)26-28(23(22)29)19-10-12-20(13-11-19)36(32,33)34;/h3-14,22,27H,1-2H3,(H,32,33,34);/q;+1/p-1",WYLWMAWLDZBLRN-UHFFFAOYSA-M,C23H20N5NaO6S2,549.6,549.07527,,178,1070,0,1,10,7,37,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 2,5-DICHLORO-4-[4-[[3-[(ETHYLPHENYLAMINO)SULFONYL]-4-MET",071873-38-6,23673679,"sodium 2,5-dichloro-4-[4-[[3-[ethyl(phenyl)sulfamoyl]-4-methylphenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate",CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)N=NC3C(=NN(C3=O)C4=CC(=C(C=C4Cl)S(=O)(=O)[O-])Cl)C)C.[Na+],"InChI=1S/C25H23Cl2N5O6S2.Na/c1-4-31(18-8-6-5-7-9-18)39(34,35)22-12-17(11-10-15(22)2)28-29-24-16(3)30-32(25(24)33)21-13-20(27)23(14-19(21)26)40(36,37)38;/h5-14,24H,4H2,1-3H3,(H,36,37,38);/q;+1/p-1",PYNAHQINXLPSMA-UHFFFAOYSA-M,C25H22Cl2N5NaO6S2,646.5,645.0286255,,169,1210,0,0,10,8,41,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Piperidinebutanol, alpha-(4-(1,1-dimethylethyl)phenyl)-4-(hydroxydiphenylmet",050679-08-8,5405,1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol,CC(C)(C)C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O,"InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3",GUGOEEXESWIERI-UHFFFAOYSA-N,C32H41NO2,471.7,471.3137296,6.6,43.7,582,0,2,3,9,35,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneacetic acid, 4-(1-hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethyl-, hydrochloride",153439-40-8,63002,2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid;hydrochloride,CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O.Cl,"InChI=1S/C32H39NO4.ClH/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27;/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36);1H",RRJFVPUCXDGFJB-UHFFFAOYSA-N,C32H40ClNO4,538.1,537.2645865,,81,678,0,4,5,10,38,,,0,1,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,1,0,1
"BENZOIC ACID, 4-(4-PROPYLCYCLOHEXYL)-, 4-PROPYLPHENYL ESTER, TRANS-",072928-02-0,175287,(4-propylphenyl) 4-(4-propylcyclohexyl)benzoate,CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCC,"InChI=1S/C25H32O2/c1-3-5-19-7-11-21(12-8-19)22-13-15-23(16-14-22)25(26)27-24-17-9-20(6-4-2)10-18-24/h9-10,13-19,21H,3-8,11-12H2,1-2H3",TVAPGSSMRUFIFN-UHFFFAOYSA-N,C25H32O2,364.5,364.2402303,8.5,26.3,422,0,0,2,8,27,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 4-(4-PENTYLCYCLOHEXYL)-, 4-CYANOPHENYL ESTER, TRANS-",072928-55-3,175308,(4-cyanophenyl) 4-(4-pentylcyclohexyl)benzoate,CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N,"InChI=1S/C25H29NO2/c1-2-3-4-5-19-6-10-21(11-7-19)22-12-14-23(15-13-22)25(27)28-24-16-8-20(18-26)9-17-24/h8-9,12-17,19,21H,2-7,10-11H2,1H3",IPGHZWGLMSBNAV-UHFFFAOYSA-N,C25H29NO2,375.5,375.2198292,8,50.1,512,0,0,3,8,28,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Butanone, 1-(4-(1,1-dimethylethyl)phenyl)-4-(4-(diphenylmethoxy)-1-piperidin",090729-43-4,3191,4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one,CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3",MJJALKDDGIKVBE-UHFFFAOYSA-N,C32H39NO2,469.7,469.2980795,7.2,29.5,594,0,0,3,10,35,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzeneacetic acid, 4-(4-(4-(diphenylmethoxy)-1-piperidinyl)-1-oxobutyl)-alpha,alpha-dimethyl-",90729-42-3,65820,2-[4-[4-(4-benzhydryloxypiperidin-1-yl)butanoyl]phenyl]-2-methylpropanoic acid,CC(C)(C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O,"InChI=1S/C32H37NO4/c1-32(2,31(35)36)27-17-15-24(16-18-27)29(34)14-9-21-33-22-19-28(20-23-33)37-30(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-13,15-18,28,30H,9,14,19-23H2,1-2H3,(H,35,36)",XGHOVGYJHWQGCC-UHFFFAOYSA-N,C32H37NO4,499.6,499.2722587,3.6,66.8,690,0,1,5,11,37,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Piperidinepropanol, alpha-cyclohexyl-alpha-phenyl-",144-11-6,5572,1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol,C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O,"InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2",HWHLPVGTWGOCJO-UHFFFAOYSA-N,C20H31NO,301.5,301.2405646,4.5,23.5,314,0,1,2,5,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benz(a)acridine, 8,10-dimethyl-",53-69-0,66127,"8,10-dimethylbenzo[a]acridine",CC1=CC(=C2C(=C1)C=C3C(=N2)C=CC4=CC=CC=C43)C,"InChI=1S/C19H15N/c1-12-9-13(2)19-15(10-12)11-17-16-6-4-3-5-14(16)7-8-18(17)20-19/h3-11H,1-2H3",QJPFZQCEUDMYTG-UHFFFAOYSA-N,C19H15N,257.3,257.1204495,5.5,12.9,352,0,0,1,0,20,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
Benz(a)acridine,225-11-6,9180,benzo[a]acridine,C1=CC=C2C(=C1)C=CC3=NC4=CC=CC=C4C=C32,InChI=1S/C17H11N/c1-3-7-14-12(5-1)9-10-17-15(14)11-13-6-2-4-8-16(13)18-17/h1-11H,JEGZRTMZYUDVBF-UHFFFAOYSA-N,C17H11N,229.27,229.0891494,4.6,12.9,300,0,0,1,0,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridinium, 1,1'-trimethylenebis(4-formyl-, dibromide, dioxime",56-97-3,135565598,(NE)-N-[[1-[3-[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine dibromide,C1=C[N+](=CC=C1/C=N/O)CCC[N+]2=CC=C(C=C2)/C=N/O.[Br-].[Br-],"InChI=1S/C15H16N4O2.2BrH/c20-16-12-14-2-8-18(9-3-14)6-1-7-19-10-4-15(5-11-19)13-17-21;;/h2-5,8-13H,1,6-7H2;2*1H",JHZHWVQTOXIXIV-UHFFFAOYSA-N,C15H18Br2N4O2,446.14,445.9776,,72.9,301,0,2,6,6,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridinium, 1,1'-trimethylenebis(4-formyl-, dichloride, dioxime",3613-82-9,135564697,(NE)-N-[[1-[3-[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine dichloride,C1=C[N+](=CC=C1/C=N/O)CCC[N+]2=CC=C(C=C2)/C=N/O.[Cl-].[Cl-],"InChI=1S/C15H16N4O2.2ClH/c20-16-12-14-2-8-18(9-3-14)6-1-7-19-10-4-15(5-11-19)13-17-21;;/h2-5,8-13H,1,6-7H2;2*1H",UTVALPBGSAUYNR-UHFFFAOYSA-N,C15H18Cl2N4O2,357.2,356.0806812,,72.9,301,0,2,6,6,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Tubocurarine, dichloride, (+)-",57-94-3,16051918,"(1S,16R)-10,25-dimethoxy-15,15,30-trimethyl-7,23-dioxa-30-aza-15-azoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-9,21-diol;chloride;hydrochloride",CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC.Cl.[Cl-],"InChI=1S/C37H40N2O6.2ClH/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33;;/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41);2*1H/t28-,29+;;/m0../s1",GXFZCDMWGMFGFL-KKXMJGKMSA-N,C37H42Cl2N2O6,681.6,680.2419925,,80.6,990,0,3,8,2,47,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrimidine, 2-((2-(dimethylamino)ethyl)(p-methoxybenzyl)amino)-, hydrochloride",63-56-9,6136,"N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine;hydrochloride",CN(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2.Cl,"InChI=1S/C16H22N4O.ClH/c1-19(2)11-12-20(16-17-9-4-10-18-16)13-14-5-7-15(21-3)8-6-14;/h4-10H,11-13H2,1-3H3;1H",HRYJPHOTGFERGT-UHFFFAOYSA-N,C16H23ClN4O,322.83,322.1560391,,41.5,273,0,1,5,7,22,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Hexadecanaminium, N-(2-(((4-methoxyphenyl)methyl)-2-pyrimidinylamino)ethyl)-N,N-dimethyl-, bromide (1:1)",553-08-2,11102,hexadecyl-[2-[(4-methoxyphenyl)methyl-pyrimidin-2-ylamino]ethyl]-dimethylazanium bromide,CCCCCCCCCCCCCCCC[N+](C)(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2.[Br-],"InChI=1S/C32H55N4O.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-36(2,3)28-26-35(32-33-24-19-25-34-32)29-30-20-22-31(37-4)23-21-30;/h19-25H,5-18,26-29H2,1-4H3;1H/q+1;/p-1",WBWDWFZTSDZAIG-UHFFFAOYSA-M,C32H55BrN4O,591.7,590.35592,,38.3,515,0,0,5,22,38,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isoindolinium, 4,5,6,7-tetrachloro-2-methyl-2-(2-(trimethylammonio)ethyl)-, dichloride",69-27-2,6243,"trimethyl-[2-(4,5,6,7-tetrachloro-2-methyl-1,3-dihydroisoindol-2-ium-2-yl)ethyl]azanium dichloride",C[N+]1(CC2=C(C1)C(=C(C(=C2Cl)Cl)Cl)Cl)CC[N+](C)(C)C.[Cl-].[Cl-],"InChI=1S/C14H20Cl4N2.2ClH/c1-19(2,3)5-6-20(4)7-9-10(8-20)12(16)14(18)13(17)11(9)15;;/h5-8H2,1-4H3;2*1H/q+2;;/p-2",DXXUGBPKQDTBQW-UHFFFAOYSA-L,C14H20Cl6N2,429,427.972815,,0,336,0,0,2,3,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Isoindolinium, 4,5,6,7-tetrachloro-2,3-dihydro-2-methyl-2-(2-(trimethylammonio)ethyl)-, diiodide",96750-66-2,16078959,"trimethyl-[2-(4,5,6,7-tetrachloro-2-methyl-1,3-dihydroisoindol-2-ium-2-yl)ethyl]azanium diiodide",C[N+]1(CC2=C(C1)C(=C(C(=C2Cl)Cl)Cl)Cl)CC[N+](C)(C)C.[I-].[I-],"InChI=1S/C14H20Cl4N2.2HI/c1-19(2,3)5-6-20(4)7-9-10(8-20)12(16)14(18)13(17)11(9)15;;/h5-8H2,1-4H3;2*1H/q+2;;/p-2",FPNVAOZHQUJJJQ-UHFFFAOYSA-L,C14H20Cl4I2N2,611.9,611.84405,,0,336,0,0,2,3,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"7H-Pyrrolo(2,3-d)pyrimidine, 4-amino-7-beta-D-ribofuranosyl-",69-33-0,6245,"(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol",C1=CN(C2=NC=NC(=C21)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,"InChI=1S/C11H14N4O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2,(H2,12,13,14)/t6-,7-,8-,11-/m1/s1",HDZZVAMISRMYHH-KCGFPETGSA-N,C11H14N4O4,266.25,266.1015049,-1.3,127,334,0,4,7,2,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"7H-Pyrrolo(2,3-d)pyrimidine-5-carboxamide, 4-amino-7-beta-D-ribofuranosyl-",18417-89-5,14978,"4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide",C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N,"InChI=1S/C12H15N5O5/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16)/t5-,7-,8-,12-/m1/s1",OBZJZDHRXBKKTJ-JTFADIMSSA-N,C12H15N5O5,309.28,309.1073186,-2.5,170,440,0,5,8,3,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Oxazolidinone, 5-((o-methoxyphenoxy)methyl)-",70-07-5,6257,"5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one",COC1=CC=CC=C1OCC2CNC(=O)O2,"InChI=1S/C11H13NO4/c1-14-9-4-2-3-5-10(9)15-7-8-6-12-11(13)16-8/h2-5,8H,6-7H2,1H3,(H,12,13)",ZMNSRFNUONFLSP-UHFFFAOYSA-N,C11H13NO4,223.22,223.0844579,1.4,56.8,246,0,1,4,4,16,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-Oxazolidinone, 5-((3,5-xylyloxy)methyl)-",1665-48-1,15459,"5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one",CC1=CC(=CC(=C1)OCC2CNC(=O)O2)C,"InChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)",IMWZZHHPURKASS-UHFFFAOYSA-N,C12H15NO3,221.25,221.1051933,2.2,47.6,247,0,1,3,3,16,,BP: 223 °C at 1.5 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Corynoxan-16-carboxylic acid, 16,17-didehydro-17-methoxy-2-oxo-, methyl ester, (7-beta,16E,20-alpha)-",76-66-4,5281408,"methyl (E)-2-[(3R,6'R,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate",CC[C@H]1CN2CC[C@]3([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)C4=CC=CC=C4NC3=O,"InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22+/m0/s1",DAXYUDFNWXHGBE-KAXDATADSA-N,C22H28N2O4,384.5,384.2049074,2.3,67.9,663,0,1,5,5,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Corynoxan-16-carboxylic acid, 16,17-didehydro-17-methoxy-2-oxo-, methyl ester, (16E,20-alpha)-",1/4/59,3037048,"methyl (E)-2-[(3S,6'R,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate",CC[C@H]1CN2CC[C@@]3([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)C4=CC=CC=C4NC3=O,"InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22-/m0/s1",DAXYUDFNWXHGBE-VKCGGMIFSA-N,C22H28N2O4,384.5,384.2049074,2.3,67.9,663,0,1,5,5,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperidinium, 3-hydroxy-1,1-dimethyl-, bromide, benzilate",76-90-4,6461,"(1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate bromide",C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[Br-],"InChI=1S/C21H26NO3.BrH/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19,24H,9,14-16H2,1-2H3;1H/q+1;/p-1",JRRNZNSGDSFFIR-UHFFFAOYSA-M,C21H26BrNO3,420.3,419.10961,,46.5,432,0,1,4,5,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperidinium, 1-ethyl-3-hydroxy-1-methyl-, bromide, benzilate",125-51-9,657306,"(1-ethyl-1-methylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate bromide",CC[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[Br-],"InChI=1S/C22H28NO3.BrH/c1-3-23(2)16-10-15-20(17-23)26-21(24)22(25,18-11-6-4-7-12-18)19-13-8-5-9-14-19;/h4-9,11-14,20,25H,3,10,15-17H2,1-2H3;1H/q+1;/p-1",XEDCWWFPZMHXCM-UHFFFAOYSA-M,C22H28BrNO3,434.4,433.12526,,46.5,450,0,1,4,6,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 2,2'-methylenebis(5-cyclohexyl-4-methyl-",2/8/66,77681,2-cyclohexyl-6-[(3-cyclohexyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol,CC1=CC(=C(C(=C1)C2CCCCC2)O)CC3=C(C(=CC(=C3)C)C4CCCCC4)O,"InChI=1S/C27H36O2/c1-18-13-22(26(28)24(15-18)20-9-5-3-6-10-20)17-23-14-19(2)16-25(27(23)29)21-11-7-4-8-12-21/h13-16,20-21,28-29H,3-12,17H2,1-2H3",AKNMPWVTPUHKCG-UHFFFAOYSA-N,C27H36O2,392.6,392.2715304,8.9,40.5,449,0,2,2,4,29,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Furo(2,3-b)quinoline, 4,7,8-trimethoxy-",83-95-4,6760,"4,7,8-trimethoxyfuro[2,3-b]quinoline",COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC,"InChI=1S/C14H13NO4/c1-16-10-5-4-8-11(13(10)18-3)15-14-9(6-7-19-14)12(8)17-2/h4-7H,1-3H3",SLSIBLKBHNKZTB-UHFFFAOYSA-N,C14H13NO4,259.26,259.0844579,2.8,53.7,314,0,0,5,3,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Furo(2,3-b)quinoline, 4-methoxy-",484-29-7,68085,"4-methoxyfuro[2,3-b]quinoline",COC1=C2C=COC2=NC3=CC=CC=C31,"InChI=1S/C12H9NO2/c1-14-11-8-4-2-3-5-10(8)13-12-9(11)6-7-15-12/h2-7H,1H3",WIONIXOBNMDJFJ-UHFFFAOYSA-N,C12H9NO2,199.2,199.0633285,2.7,35.3,234,0,0,3,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Ammonium, (4-((4,6-diamino-m-tolyl)imino)-2,5-cyclohexadien-1-ylidene)dimethyl-, chloride",97-26-7,66800,"[4-(2,4-diamino-5-methylphenyl)iminocyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride",CC1=CC(=C(C=C1N)N)N=C2C=CC(=[N+](C)C)C=C2.[Cl-],"InChI=1S/C15H18N4.ClH/c1-10-8-15(14(17)9-13(10)16)18-11-4-6-12(7-5-11)19(2)3;/h4-9H,1-3H3,(H3,16,17);1H",SRAVWPVICTXESG-UHFFFAOYSA-N,C15H19ClN4,290.79,290.1298243,,67.4,437,0,2,4,1,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ammonium, dimethyl(4-((4-dimethylaminophenyl)imino)-2,5-cyclohexadien-1-ylidene)-, chloride",,73516,"[4-[4-(dimethylamino)phenyl]iminocyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride",CN(C)C1=CC=C(C=C1)N=C2C=CC(=[N+](C)C)C=C2.[Cl-],"InChI=1S/C16H20N3.ClH/c1-18(2)15-9-5-13(6-10-15)17-14-7-11-16(12-8-14)19(3)4;/h5-12H,1-4H3;1H/q+1;/p-1",IVNALXNJOCZGMK-UHFFFAOYSA-M,C16H20ClN3,289.8,289.1345753,,18.6,375,0,0,3,2,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propenamide, 2-cyano-3-(3-ethoxy-4-hydroxy-5-((phenylthio)methyl)phenyl)-",107761-24-0,5941457,(E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide,CCOC1=CC(=CC(=C1O)CSC2=CC=CC=C2)/C=C(\C#N)/C(=O)N,"InChI=1S/C19H18N2O3S/c1-2-24-17-10-13(8-14(11-20)19(21)23)9-15(18(17)22)12-25-16-6-4-3-5-7-16/h3-10,22H,2,12H2,1H3,(H2,21,23)/b14-8+",YKLMGKWXBLSKPK-RIYZIHGNSA-N,C19H18N2O3S,354.4,354.1038136,3.1,122,522,0,2,5,7,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Sulfide, p-chlorobenzyl p-chlorophenyl",103-17-3,7639,1-chloro-4-[(4-chlorophenyl)methylsulfanyl]benzene,C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)Cl,"InChI=1S/C13H10Cl2S/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2",ZHLKXBJTJHRTTE-UHFFFAOYSA-N,C13H10Cl2S,269.2,267.9880269,5.2,25.3,194,0,0,1,3,16,,83-84 °C at 0.0024 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9-alpha,13-alpha,14-alpha-Morphinan-6-one, 7,8-didehydro-4-hydroxy-3,7-dimethoxy-17-methyl-",115-53-7,5459308,"(1R,9S,10S)-3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one",CN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC,"InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13+,19-/m1/s1",INYYVPJSBIVGPH-QHRIQVFBSA-N,C19H23NO4,329.4,329.1627082,2.2,59,562,0,1,5,2,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9-alpha,13-alpha,14-alpha-Morphinan-6-one, 7,8-didehydro-3,7-dimethoxy-4-hydroxy-17-methyl-,hydrochloride",6080-33-7,5464452,"(1R,9S,10S)-3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one;hydrochloride",CN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC.Cl,"InChI=1S/C19H23NO4.ClH/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19;/h4-5,9,12-13,22H,6-8,10H2,1-3H3;1H/t12-,13+,19-;/m1./s1",YMEVIMJAUHZFMW-VUIDNZEBSA-N,C19H24ClNO4,365.8,365.1393859,,59,562,0,2,5,2,25,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Sydnone, 3-phenyl-",120-06-9,123023,3-phenyloxadiazol-3-ium-5-olate,C1=CC=C(C=C1)[N+]2=NOC(=C2)[O-],InChI=1S/C8H6N2O2/c11-8-6-10(9-12-8)7-4-2-1-3-5-7/h1-6H,KQEVEDHJIGSXDK-UHFFFAOYSA-N,C8H6N2O2,162.15,162.0429274,2.8,53,148,0,0,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Sydnone, 3-(p-methoxyphenyl)-",3815-80-3,199183,3-(4-methoxyphenyl)oxadiazol-3-ium-5-olate,COC1=CC=C(C=C1)[N+]2=NOC(=C2)[O-],"InChI=1S/C9H8N2O3/c1-13-8-4-2-7(3-5-8)11-6-9(12)14-10-11/h2-6H,1H3",MDXSZGJOBTZROY-UHFFFAOYSA-N,C9H8N2O3,192.17,192.0534921,2.8,62.2,183,0,0,4,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclopentanecarboxylic acid, 1-phenyl-, 2-(diethylamino)ethyl ester,compd. with 1,2-ethanedisulfonic acid (2:1)",125-86-0,517304,"bis(2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate);ethane-1,2-disulfonic acid",CCN(CC)CCOC(=O)C1(CCCC1)C2=CC=CC=C2.CCN(CC)CCOC(=O)C1(CCCC1)C2=CC=CC=C2.C(CS(=O)(=O)O)S(=O)(=O)O,"InChI=1S/2C18H27NO2.C2H6O6S2/c2*1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16;3-9(4,5)1-2-10(6,7)8/h2*5-7,10-11H,3-4,8-9,12-15H2,1-2H3;1-2H2,(H,3,4,5)(H,6,7,8)",BANIDACEBXZGNK-UHFFFAOYSA-N,C38H60N2O10S2,769,768.3689385,,185,552,0,2,12,19,52,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Lasiocarpine N-oxide,127-30-0,5458800,"[(7S,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1S)-1-methoxyethyl]-3-methylbutanoate",C/C=C(/C)\C(=O)O[C@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)OC)(C(C)(C)O)O)[O-],"InChI=1S/C21H33NO8/c1-7-13(2)18(23)30-16-9-11-22(27)10-8-15(17(16)22)12-29-19(24)21(26,14(3)28-6)20(4,5)25/h7-8,14,16-17,25-26H,9-12H2,1-6H3/b13-7-/t14-,16-,17+,21-,22?/m0/s1",AABILZKQMVKFHP-LRBDFNDQSA-N,C21H33NO8,427.5,427.220617,-0.1,120,745,0,2,8,10,30,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butanoic acid, 2-hydroxy-2-(1-methoxyethyl)-3-methyl-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, N-oxide, (1S-(1-alpha,7(2R*,3S*),7a-alpha))-",6209-65-0,5355258,"[(7S,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoate",C[C@H]([C@@](C(C)C)(C(=O)OCC1=CC[N+]2([C@H]1[C@H](CC2)O)[O-])O)OC,"InChI=1S/C16H27NO6/c1-10(2)16(20,11(3)22-4)15(19)23-9-12-5-7-17(21)8-6-13(18)14(12)17/h5,10-11,13-14,18,20H,6-9H2,1-4H3/t11-,13+,14-,16+,17?/m1/s1",QSTHEUSPIBEICI-MCAMCBDESA-N,C16H27NO6,329.39,329.1838376,-0.5,94.1,493,0,2,6,7,23,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Glucopyranoside, 4-hydroxy-3-(hydroxymethyl)-2-anthraquinonyl 6-O-beta-D-xylopyranosyl-, beta-D-",29706-59-0,160180,"1-hydroxy-2-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione",C1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C(=C4C(=C3)C(=O)C5=CC=CC=C5C4=O)O)CO)O)O)O)O)O)O,"InChI=1S/C26H28O14/c27-6-12-14(5-11-16(19(12)31)18(30)10-4-2-1-3-9(10)17(11)29)39-26-24(36)22(34)21(33)15(40-26)8-38-25-23(35)20(32)13(28)7-37-25/h1-5,13,15,20-28,31-36H,6-8H2/t13-,15-,20+,21-,22+,23-,24-,25+,26-/m1/s1",NVKNRXOMCYTFJF-WFLOGZPDSA-N,C26H28O14,564.5,564.1479056,-2.1,233,918,0,8,14,6,40,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"6a-alpha-Aporphin-11-ol, 10-methoxy-1,2-(methylenedioxy)-, hydrochloride",632-47-3,16219195,"(12S)-17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol;hydrochloride",CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=C4C(=C(C=C5)OC)O)OCO3.Cl,"InChI=1S/C19H19NO4.ClH/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17;/h3-4,8,12,21H,5-7,9H2,1-2H3;1H/t12-;/m0./s1",SRGIVPUDHITDMK-YDALLXLXSA-N,C19H20ClNO4,361.8,361.1080858,,51.2,488,0,2,5,1,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Piperazineethanol, 4-(3-(5H-dibenz(b,f)azepin-5-yl)propyl)-",315-72-0,9417,2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol,C1CN(CCN1CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)CCO,"InChI=1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2",YNZFUWZUGRBMHL-UHFFFAOYSA-N,C23H29N3O,363.5,363.2310626,3.6,30,448,0,1,4,6,27,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Piperazineethanol, 4-(3-(5H-dibenz(b,f)azepin-5-yl)propyl)-, dihydrochloride",909-39-7,71587,2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol;dihydrochloride,C1CN(CCN1CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)CCO.Cl.Cl,"InChI=1S/C23H29N3O.2ClH/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26;;/h1-4,6-11,27H,5,12-19H2;2*1H",DLTOEESOSYKJBK-UHFFFAOYSA-N,C23H31Cl2N3O,436.4,435.184418,,30,448,0,3,4,6,29,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
Galanthamine,357-70-0,9651,"(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol",CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O,"InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1",ASUTZQLVASHGKV-JDFRZJQESA-N,C17H21NO3,287.35,287.1521435,1.8,41.9,440,0,1,4,1,21,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,0
"6H-Benzofuro(3a,3,2-ef)(2)benzazepin-6-ol, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, hydrobromide, (4aS,6R,8aS)-",4/4/53,121587,"(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol;hydrobromide",CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O.Br,"InChI=1S/C17H21NO3.BrH/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17;/h3-6,12,14,19H,7-10H2,1-2H3;1H/t12-,14-,17-;/m0./s1",QORVDGQLPPAFRS-XPSHAMGMSA-N,C17H22BrNO3,368.3,367.07831,,41.9,440,0,2,4,1,22,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
Graciloside,466-10-4,120681,"3-[14-hydroxy-3-[5-hydroxy-4-methoxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one",CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)OC7C(C(C(C(O7)CO)O)O)O)OC)O,"InChI=1S/C36H56O13/c1-17-26(39)30(44-4)31(49-32-29(42)28(41)27(40)24(15-37)48-32)33(46-17)47-20-7-10-34(2)19(14-20)5-6-23-22(34)8-11-35(3)21(9-12-36(23,35)43)18-13-25(38)45-16-18/h13,17,19-24,26-33,37,39-43H,5-12,14-16H2,1-4H3",NBMKMJSSZYZNRL-UHFFFAOYSA-N,C36H56O13,696.8,696.3720918,1,194,1260,0,6,13,7,49,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"Lycoran-1-alpha,2-beta-diol, 3,3-alpha-didehydro-",476-28-8,72378,"(1S,17S,18S,19S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraene-17,18-diol",C1CN2CC3=CC4=C(C=C3[C@H]5[C@H]2C1=C[C@@H]([C@H]5O)O)OCO4,"InChI=1S/C16H17NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h3-5,11,14-16,18-19H,1-2,6-7H2/t11-,14-,15+,16+/m0/s1",XGVJWXAYKUHDOO-DANNLKNASA-N,C16H17NO4,287.31,287.115758,0,62.2,481,0,2,5,0,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Lycoran-1-alpha,2-beta-diol, 3,3-alpha-didehydro-, hydrochloride",2188-68-3,164943,"(1S,17S,18S,19S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraene-17,18-diol;hydrochloride",C1CN2CC3=CC4=C(C=C3[C@H]5[C@H]2C1=C[C@@H]([C@H]5O)O)OCO4.Cl,"InChI=1S/C16H17NO4.ClH/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19;/h3-5,11,14-16,18-19H,1-2,6-7H2;1H/t11-,14-,15+,16+;/m0./s1",VUVNTYCHKZBOMV-NVJKKXITSA-N,C16H18ClNO4,323.77,323.0924357,,62.2,481,0,3,5,0,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Chelidonine,476-32-4,197810,"(1S,12S,13R)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol",CN1CC2=C(C=CC3=C2OCO3)[C@@H]4[C@H]1C5=CC6=C(C=C5C[C@@H]4O)OCO6,"InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3/t14-,18-,19+/m0/s1",GHKISGDRQRSCII-ZOCIIQOWSA-N,C20H19NO5,353.4,353.1263227,2.2,60.4,560,0,1,6,0,26,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Chelidonine, hydrochloride",4312-31-6,197809,"(1S,12S,13R)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol;hydrochloride",CN1CC2=C(C=CC3=C2OCO3)[C@@H]4[C@H]1C5=CC6=C(C=C5C[C@@H]4O)OCO6.Cl,"InChI=1S/C20H19NO5.ClH/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21;/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3;1H/t14-,18-,19+;/m0./s1",LVURMIFHBFKWNP-PHANBDLMSA-N,C20H20ClNO5,389.8,389.1030004,,60.4,560,0,2,6,0,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Colchicoside,477-29-2,92763,"N-[(7S)-1,2,10-trimethoxy-9-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide",CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,"InChI=1S/C27H33NO11/c1-12(30)28-16-7-5-13-9-19(38-27-24(34)23(33)22(32)20(11-29)39-27)25(36-3)26(37-4)21(13)14-6-8-18(35-2)17(31)10-15(14)16/h6,8-10,16,20,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)/t16-,20+,22+,23-,24+,27+/m0/s1",UXAFRQPVHYZDED-ZZEDUEFDSA-N,C27H33NO11,547.5,547.2053609,-1.1,173,1010,0,5,11,7,39,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, N-(3-(beta-D-glucopyranosyloxy)-5,6,7,9-tetrahydro-1,2-dimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-, (S)-",602-41-5,9915886,"N-[(7S)-1,2-dimethoxy-10-methylsulfanyl-9-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide",CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,"InChI=1S/C27H33NO10S/c1-12(30)28-16-7-5-13-9-18(37-27-24(34)23(33)22(32)19(11-29)38-27)25(35-2)26(36-3)21(13)14-6-8-20(39-4)17(31)10-15(14)16/h6,8-10,16,19,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)/t16-,19+,22+,23-,24+,27+/m0/s1",LEQAKWQJCITZNK-AXHKHJLKSA-N,C27H33NO10S,563.6,563.1825174,-0.4,189,1010,0,5,11,7,39,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1,0,1,1
"Crotonic acid, 3-methyl-, 9-ester with 9,10-dihydro-9,10-dihydroxy-8,8-dimethyl-2H,8H-benzo(1,2-b:3,4-b')-dipyran-2-one acetate",477-33-8,442150,"[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbut-2-enoate",CC(=CC(=O)O[C@@H]1[C@@H](C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C)C,"InChI=1S/C21H22O7/c1-11(2)10-16(24)27-20-19(25-12(3)22)17-14(28-21(20,4)5)8-6-13-7-9-15(23)26-18(13)17/h6-10,19-20H,1-5H3/t19-,20-/m1/s1",FNVCLGWRMXTDSM-WOJBJXKFSA-N,C21H22O7,386.4,386.136553,3.4,88.1,716,0,0,7,5,28,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Azuleno(4,5-b)furan-2(3H)-one, decahydro-3,6,9-tris(methylene)-, (3aS,6aR,9aR,9bS)-",477-43-0,73174,"(3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one",C=C1CC[C@@H]2[C@@H]([C@@H]3[C@H]1CCC3=C)OC(=O)C2=C,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",NETSQGRTUNRXEO-XUXIUFHCSA-N,C15H18O2,230.3,230.1306798,2.6,26.3,432,0,0,2,0,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-Propenoic acid, 2-(hydroxymethyl)-, (3aR,4S,6aR,8S,9aR,9bR)-dodecahydro-8-hydroxy-3,6,9-tris(methylene)-2-oxoazuleno(4,5-b)furan-4-yl ester",35730-78-0,119093,"[(3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate",C=C1C[C@@H]([C@@H]2[C@@H]([C@@H]3[C@H]1C[C@@H](C3=C)O)OC(=O)C2=C)OC(=O)C(=C)CO,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",KHSCYOFDKADJDJ-NQLMQOPMSA-N,C19H22O6,346.4,346.1416384,0.6,93.1,690,0,2,6,4,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (S)-",483-14-7,72301,"(13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline",COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC,"InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m0/s1",AEQDJSLRWYMAQI-KRWDZBQOSA-N,C21H25NO4,355.4,355.1783583,3.2,40.2,475,0,0,5,4,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Butenedioic acid, (2E)-, mono((7-carboxy-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo(b,e)(1,4)dioxepin-9-yl)methyl) ester",489-50-9,5317419,"4-[[(E)-3-carboxyprop-2-enoyl]oxymethyl]-10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid",CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3COC(=O)/C=C/C(=O)O)O)C(=O)O)C)C=O)O,"InChI=1S/C22H16O12/c1-8-5-12(24)10(6-23)19-15(8)22(31)34-20-11(7-32-14(27)4-3-13(25)26)17(28)16(21(29)30)9(2)18(20)33-19/h3-6,24,28H,7H2,1-2H3,(H,25,26)(H,29,30)/b4-3+",VEGGRTFDFMUBPD-ONEGZZNKSA-N,C22H16O12,472.4,472.0641759,2.5,194,868,0,4,12,7,34,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Benzoic acid, (4-oxo-2,5-cyclohexadien-1-ylidene)hydrazide, oxime",495-73-8,10320,N'-(4-nitrosophenyl)benzohydrazide,C1=CC=C(C=C1)C(=O)NNC2=CC=C(C=C2)N=O,"InChI=1S/C13H11N3O2/c17-13(10-4-2-1-3-5-10)15-14-11-6-8-12(16-18)9-7-11/h1-9,14H,(H,15,17)",ORLIFVYIUIQGOA-UHFFFAOYSA-N,C13H11N3O2,241.24,241.0851266,2.4,70.6,282,0,2,4,3,18,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2-phenylhydrazide",532-96-7,10774,N'-phenylbenzohydrazide,C1=CC=C(C=C1)C(=O)NNC2=CC=CC=C2,"InChI=1S/C13H12N2O/c16-13(11-7-3-1-4-8-11)15-14-12-9-5-2-6-10-12/h1-10,14H,(H,15,16)",CKLPECFHCLIYKN-UHFFFAOYSA-N,C13H12N2O,212.25,212.094963,3.1,41.1,218,0,2,2,3,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Isonicotinic acid, (o-hydroxybenzylidene)hydrazide",495-84-1,135400471,N-[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide,C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC=NC=C2)O,"InChI=1S/C13H11N3O2/c17-12-4-2-1-3-11(12)9-15-16-13(18)10-5-7-14-8-6-10/h1-9,17H,(H,16,18)/b15-9+",VBIZUNYMJSPHBH-OQLLNIDSSA-N,C13H11N3O2,241.24,241.0851266,1.4,74.6,301,0,2,4,3,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-Indolinethione,496-30-0,3032310,"1,3-dihydroindole-2-thione",C1C2=CC=CC=C2NC1=S,"InChI=1S/C8H7NS/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)",IGJWTYFTQNHSEK-UHFFFAOYSA-N,C8H7NS,149.21,149.0299204,1.8,44.1,155,0,1,1,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Gelsemine, monohydrochloride",35306-33-3,71449781,"(1'R,2'S,3S,5'S,6'S,8'R,11'S)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one;hydrochloride",CN1C[C@]2([C@@H]3C[C@@H]4[C@]5([C@H]2[C@H]1[C@H]3CO4)C6=CC=CC=C6NC5=O)C=C.Cl,"InChI=1S/C20H22N2O2.ClH/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23;/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23);1H/t11-,13+,15+,16+,17-,19-,20-;/m0./s1",AVNIVHTXRYXBIV-WMTURVKQSA-N,C20H23ClN2O2,358.9,358.1448057,,41.6,635,0,2,3,1,25,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Piperidinepropanol, alpha-5-norbornen-2-yl-alpha-phenyl-, hydrochloride",1235-82-1,92151,1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride,C1CCN(CC1)CCC(C2CC3CC2C=C3)(C4=CC=CC=C4)O.Cl,"InChI=1S/C21H29NO.ClH/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17;/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2;1H",RDNLAULGBSQZMP-UHFFFAOYSA-N,C21H30ClNO,347.9,347.2015923,,23.5,422,0,2,2,5,24,,,0,0,1,1,0,0,1,1,0,1,0,0,0,0,0,0,0,0,0,0
"1-Piperidinepropanol, alpha-5-norbornen-2-yl-alpha-phenyl-",514-65-8,2381,1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol,C1CCN(CC1)CCC(C2CC3CC2C=C3)(C4=CC=CC=C4)O,"InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2",YSXKPIUOCJLQIE-UHFFFAOYSA-N,C21H29NO,311.5,311.2249145,4.3,23.5,422,0,1,2,5,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"7-Isoquinolinol, 1,2,3,4-tetrahydro-1-((4-hydroxy-3-(4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)phenyl)methyl)-6-methoxy-2-methyl-, (R-(R*,R*))-",70553-76-3,51106,"(1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4-hydroxyphenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol",CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)O)O)OC)OC,"InChI=1S/C37H42N2O6/c1-38-15-13-26-20-36(43-4)37(44-5)22-29(26)30(38)16-23-6-9-27(10-7-23)45-35-18-24(8-11-32(35)40)17-31-28-21-33(41)34(42-3)19-25(28)12-14-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31-/m1/s1",BURJAQFYNVMZDV-FIRIVFDPSA-N,C37H42N2O6,610.7,610.3042871,6.4,83.9,917,0,2,8,9,45,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H,3H-Furo(3,4-c)furan, 1,4-bis(3,4-dimethoxyphenyl)tetrahydro-, (1R,3aS,4R,6aS)-",526-06-7,73117,"(3S,3aR,6S,6aR)-3,6-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan",COC1=C(C=C(C=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)OC)OC)OC,"InChI=1S/C22H26O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-28-22(16(15)12-27-21)14-6-8-18(24-2)20(10-14)26-4/h5-10,15-16,21-22H,11-12H2,1-4H3/t15-,16-,21+,22+/m0/s1",PEUUVVGQIVMSAW-RZTYQLBFSA-N,C22H26O6,386.4,386.1729385,2.9,55.4,457,0,0,6,6,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 3,4-dichloro-, 3-(2-methylpiperidino)propyl ester",3478-94-2,18996,"3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate",CC1CCCCN1CCCOC(=O)C2=CC(=C(C=C2)Cl)Cl,"InChI=1S/C16H21Cl2NO2/c1-12-5-2-3-8-19(12)9-4-10-21-16(20)13-6-7-14(17)15(18)11-13/h6-7,11-12H,2-5,8-10H2,1H3",BZGLBXYQOMFXAU-UHFFFAOYSA-N,C16H21Cl2NO2,330.2,329.0949343,4.7,29.5,340,0,0,3,6,21,71.1 C / 160 F,156-157 °C @ 20 mm Hg,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"1-Piperidinepropanol, 2-methyl-, benzoate (ester), hydrochloride",533-28-8,10781,3-(2-methylpiperidin-1-yl)propyl benzoate;hydrochloride,CC1CCCCN1CCCOC(=O)C2=CC=CC=C2.Cl,"InChI=1S/C16H23NO2.ClH/c1-14-8-5-6-11-17(14)12-7-13-19-16(18)15-9-3-2-4-10-15;/h2-4,9-10,14H,5-8,11-13H2,1H3;1H",ZXSGQNYQJIUMQN-UHFFFAOYSA-N,C16H24ClNO2,297.82,297.1495567,,29.5,274,0,1,3,6,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Thiazolidinehexanoic acid, 4-oxo-",539-35-5,94170,"6-(4-oxo-1,3-thiazolidin-2-yl)hexanoic acid",C1C(=O)NC(S1)CCCCCC(=O)O,"InChI=1S/C9H15NO3S/c11-7-6-14-8(10-7)4-2-1-3-5-9(12)13/h8H,1-6H2,(H,10,11)(H,12,13)",CSOJYIADHHNGRM-UHFFFAOYSA-N,C9H15NO3S,217.29,217.0772645,1.3,91.7,220,0,2,4,6,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Thiazolidinone, 3-(2-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)ethyl)-2-phenyl-",193882-31-4,637591,"1,3-thiazolidin-4-one",C1C(=O)NCS1,"InChI=1S/C3H5NOS/c5-3-1-6-2-4-3/h1-2H2,(H,4,5)",NOLHRFLIXVQPSZ-UHFFFAOYSA-N,C3H5NOS,103.15,103.009185,0.1,54.4,73,0,1,2,0,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-",611-40-5,5281810,"5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one",COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,"InChI=1S/C22H22O11/c1-30-21-13(32-22-20(29)19(28)17(26)14(7-23)33-22)6-12-15(18(21)27)16(25)11(8-31-12)9-2-4-10(24)5-3-9/h2-6,8,14,17,19-20,22-24,26-29H,7H2,1H3/t14-,17-,19+,20-,22-/m1/s1",CNOURESJATUGPN-UDEBZQQRSA-N,C22H22O11,462.4,462.1162115,0.8,175,721,0,6,11,5,33,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Germacra-1(10),4,11(13)-trien-12-oic acid, 6-alpha-hydroxy-, gamma-lactone, (E,E)-",553-21-9,5281437,"(3aS,6E,10E,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one",C/C/1=C\CC/C(=C/[C@@H]2[C@@H](CC1)C(=C)C(=O)O2)/C,"InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5+,11-9+/t13-,14+/m0/s1",HRYLQFBHBWLLLL-AHNJNIBGSA-N,C15H20O2,232.32,232.1463299,2.1,26.3,401,0,0,2,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Germacra-1(10),4,11(13)-trien-12-oic acid, 6-alpha,8-alpha,15-trihydroxy-, 12,6-lactone,8-(3,4-dihydroxy-2-methylenebutyrate)",24394-09-0,5281435,"[(3aR,4S,6E,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (3R)-3,4-dihydroxy-2-methylidenebutanoate",C/C/1=C\CC/C(=C/[C@@H]2[C@@H]([C@H](C1)OC(=O)C(=C)[C@H](CO)O)C(=C)C(=O)O2)/CO,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1",ZTDFZLVUIVPZDU-QGNHJMHWSA-N,C20H26O7,378.4,378.1678532,0.2,113,688,0,3,7,6,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Oligomycin A,579-13-5,52947716,"(1R,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22R,25S,27R,28S,29R)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trione",CC[C@@H]\1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@]([C@H]([C@@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C,"InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m0/s1",MNULEGDCPYONBU-AWJDAWNUSA-N,C45H74O11,791.1,790.5231132,7.1,180,1390,0,5,11,3,56,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Oligomycin C,11052-72-5,76958644,"(1R,4E,5'S,6S,6'S,7R,8S,10R,11S,12S,14S,15S,16R,18E,20E,22R,25S,27R,28S,29R)-22-ethyl-7,11,15-trihydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trione",CC[C@@H]\1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@H]([C@H]([C@@H](C/C=C/C=C1)C)O)C)C)O)C)C)O)C)C,"InChI=1S/C45H74O10/c1-12-35-17-15-13-14-16-26(3)39(48)30(7)41(50)32(9)43(52)33(10)42(51)31(8)40(49)27(4)18-21-38(47)53-44-29(6)36(20-19-35)54-45(34(44)11)23-22-25(2)37(55-45)24-28(5)46/h13-15,17-18,21,25-37,39-40,43-44,46,48-49,52H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26+,27-,28+,29+,30-,31-,32+,33-,34-,35-,36-,37-,39-,40+,43-,44+,45-/m0/s1",CMMLZMMKTYEOKV-RDKHTNMBSA-N,C45H74O10,775.1,774.5281986,8,160,1340,0,4,10,3,55,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 3-sulfo-, 1-((11-beta)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl) ester, sodium salt (1:1)",630-67-1,23675004,"sodium 3-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonylbenzenesulfonate",C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)C4=CC(=CC=C4)S(=O)(=O)[O-])O)CCC5=CC(=O)C=C[C@]35C)O.[Na+],"InChI=1S/C28H32O9S.Na/c1-26-10-8-18(29)13-17(26)6-7-20-21-9-11-28(33,27(21,2)14-22(30)24(20)26)23(31)15-37-25(32)16-4-3-5-19(12-16)38(34,35)36;/h3-5,8,10,12-13,20-22,24,30,33H,6-7,9,11,14-15H2,1-2H3,(H,34,35,36);/q;+1/p-1/t20-,21-,22-,24+,26-,27-,28-;/m0./s1",RWFZSORKWFPGNE-VDYYWZOJSA-M,C28H31NaO9S,566.6,566.158648,,166,1210,0,2,9,6,39,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-16-alpha-methyl-,21-m-sulfobenzoate, monosodium salt",2/5/36,23672582,"sodium 3-[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonylbenzenesulfonate",C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C5=CC(=CC=C5)S(=O)(=O)[O-])O)C)O)F)C.[Na+],"InChI=1S/C29H33FO9S.Na/c1-16-11-22-21-8-7-18-13-19(31)9-10-26(18,2)28(21,30)23(32)14-27(22,3)29(16,35)24(33)15-39-25(34)17-5-4-6-20(12-17)40(36,37)38;/h4-6,9-10,12-13,16,21-23,32,35H,7-8,11,14-15H2,1-3H3,(H,36,37,38);/q;+1/p-1/t16-,21+,22+,23+,26+,27+,28+,29+;/m1./s1",RPBJOYICBFNIMN-RDWMNNCQSA-M,C29H32FNaO9S,598.6,598.1648762,,166,1290,0,2,10,6,41,,,0,1,1,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,1
"4H-1,3,5-Dithiazine, dihydro-2,4,6-trimethyl-, (2-alpha,4-alpha,6-alpha)-",638-17-5,13072565,"(4R,6S)-2,4,6-trimethyl-1,3,5-dithiazinane",C[C@@H]1N[C@@H](SC(S1)C)C,"InChI=1S/C6H13NS2/c1-4-7-5(2)9-6(3)8-4/h4-7H,1-3H3/t4-,5+,6?",FBMVFHKKLDGLJA-XEAPYIEGSA-N,C6H13NS2,163.3,163.0489418,2.5,62.6,87,0,1,3,0,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"4H-1,3,5-Dithiazine, dihydro-5-nitroso-2,4,6-trimethyl-",81795-07-5,54779,"2,4,6-trimethyl-5-nitroso-1,3,5-dithiazinane",CC1N(C(SC(S1)C)C)N=O,"InChI=1S/C6H12N2OS2/c1-4-8(7-9)5(2)11-6(3)10-4/h4-6H,1-3H3",HAKZNKDZKQNRNW-UHFFFAOYSA-N,C6H12N2OS2,192.3,192.0391054,2.9,83.3,144,0,0,5,0,11,,,0,0,0,1,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-phenyl-",644-34-8,5354492,"(E)-3-(1,3-benzodioxol-5-yl)-1-phenylprop-2-en-1-one",C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C3=CC=CC=C3,"InChI=1S/C16H12O3/c17-14(13-4-2-1-3-5-13)8-6-12-7-9-15-16(10-12)19-11-18-15/h1-10H,11H2/b8-6+",ATKADZVINWFQOE-SOFGYWHQSA-N,C16H12O3,252.26,252.0786442,3.9,35.5,344,0,0,3,3,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propen-1-one, 3-(1,3-benzodiol-5-yl)-1-(4-methylphenyl)-",37620-38-5,5345979,"(E)-3-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)prop-2-en-1-one",CC1=CC=C(C=C1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3,"InChI=1S/C17H14O3/c1-12-2-6-14(7-3-12)15(18)8-4-13-5-9-16-17(10-13)20-11-19-16/h2-10H,11H2,1H3/b8-4+",JWGMSRAHCNKMBC-XBXARRHUSA-N,C17H14O3,266.29,266.0942943,4.2,35.5,368,0,0,3,3,20,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Estra-1,3,5(10),7-tetraene-3,17-diol, (17-alpha)-",651-55-8,9547222,"(9S,13S,14S,17R)-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol",C[C@]12CC[C@H]3C(=CCC4=C3C=CC(=C4)O)[C@@H]1CC[C@H]2O,"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14-,16+,17-,18+/m1/s1",NLLMJANWPUQQTA-SPUZQDLCSA-N,C18H22O2,270.4,270.1619799,3.2,40.5,429,0,2,2,0,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Estra-1,3,5(10),7-tetraene-3,17-diol, (17-beta)-",3563-27-7,11954027,"(9S,13S,14S,17S)-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol",C[C@]12CC[C@H]3C(=CCC4=C3C=CC(=C4)O)[C@@H]1CC[C@@H]2O,"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14-,16+,17+,18+/m1/s1",NLLMJANWPUQQTA-UBDQQSCGSA-N,C18H22O2,270.4,270.1619799,3.2,40.5,429,0,2,2,0,20,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 2-styryl-",714-08-9,136350,2-(2-phenylethenyl)pyridine,C1=CC=C(C=C1)C=CC2=CC=CC=N2,InChI=1S/C13H11N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h1-11H,BIAWAXVRXKIUQB-UHFFFAOYSA-N,C13H11N,181.23,181.0891494,3.2,12.9,180,0,0,1,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Stannane, benzoyloxytriphenyl-",910-06-5,16684201,triphenylstannyl benzoate,C1=CC=C(C=C1)C(=O)O[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C7H6O2.3C6H5.Sn/c8-7(9)6-4-2-1-3-5-6;3*1-2-4-6-5-3-1;/h1-5H,(H,8,9);3*1-5H;/q;;;;+1/p-1",RUCJDJBHYCEOKH-UHFFFAOYSA-M,C25H20O2Sn,471.1,472.048532,,26.3,435,0,0,2,6,28,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Stannane, ((p-acetamidobenzoyl)oxy)triphenyl-",2847-65-6,16684360,triphenylstannyl 4-acetamidobenzoate,CC(=O)NC1=CC=C(C=C1)C(=O)O[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C9H9NO3.3C6H5.Sn/c1-6(11)10-8-4-2-7(3-5-8)9(12)13;3*1-2-4-6-5-3-1;/h2-5H,1H3,(H,10,11)(H,12,13);3*1-5H;/q;;;;+1/p-1",NNGKZQAAGFRBLE-UHFFFAOYSA-M,C27H23NO3Sn,528.2,529.069996,,55.4,567,0,1,3,7,32,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-1,2,4-Triazole-1-carboxamide, 4-amino-N-(1,1-dimethylethyl)-4,5-dihydro-3-(1-methylethyl)-5-oxo-",129909-90-6,153920,"4-amino-N-tert-butyl-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide",CC(C)C1=NN(C(=O)N1N)C(=O)NC(C)(C)C,"InChI=1S/C10H19N5O2/c1-6(2)7-13-15(9(17)14(7)11)8(16)12-10(3,4)5/h6H,11H2,1-5H3,(H,12,16)",ORFPWVRKFLOQHK-UHFFFAOYSA-N,C10H19N5O2,241.29,241.1538749,1,91,369,0,2,4,2,17,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrrole, 3-chloro-4-(3-chloro-2-nitrophenyl)-",1018-71-9,13916,3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole,C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C2=CNC=C2Cl,"InChI=1S/C10H6Cl2N2O2/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12/h1-5,13H",QJBZDBLBQWFTPZ-UHFFFAOYSA-N,C10H6Cl2N2O2,257.07,255.9806328,4.4,61.6,272,0,1,2,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrrole-3-carbonitrile, 4-(2,3-dichlorophenyl)-",74738-17-3,91724,"4-(2,3-dichlorophenyl)-1H-pyrrole-3-carbonitrile",C1=CC(=C(C(=C1)Cl)Cl)C2=CNC=C2C#N,"InChI=1S/C11H6Cl2N2/c12-10-3-1-2-8(11(10)13)9-6-15-5-7(9)4-14/h1-3,5-6,15H",FKLFBQCQQYDUAM-UHFFFAOYSA-N,C11H6Cl2N2,237.08,235.9908036,4.3,39.6,273,0,1,1,1,15,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,1,3-Benzoselenadiazole, 5,6-dimethyl-",2626-34-8,96655,"5,6-dimethyl-2,1,3-benzoselenadiazole",CC1=CC2=N[Se]N=C2C=C1C,"InChI=1S/C8H8N2Se/c1-5-3-7-8(4-6(5)2)10-11-9-7/h3-4H,1-2H3",JXAGKGMQYSONPB-UHFFFAOYSA-N,C8H8N2Se,211.13,211.98527,,25.8,135,0,0,2,0,11,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Pyrazole-5-carboxylic acid, 1-benzyl-3-methyl-",1141-70-4,121029,2-benzyl-5-methylpyrazole-3-carboxylic acid,CC1=NN(C(=C1)C(=O)O)CC2=CC=CC=C2,"InChI=1S/C12H12N2O2/c1-9-7-11(12(15)16)14(13-9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16)",JJADNHRPPVETTB-UHFFFAOYSA-N,C12H12N2O2,216.24,216.0898776,2.1,55.1,251,0,1,3,3,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrazole, 4-amino-1-benzyl-",28466-62-8,206694,1-benzylpyrazol-4-amine,C1=CC=C(C=C1)CN2C=C(C=N2)N,"InChI=1S/C10H11N3/c11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7,11H2",HKIIDGKOOZXNQC-UHFFFAOYSA-N,C10H11N3,173.21,173.0952974,1.1,43.8,154,0,1,2,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4-Oxadiazole, 3-methyl-5-trichloromethyl-",1195-25-1,70953,"3-methyl-5-(trichloromethyl)-1,2,4-oxadiazole",CC1=NOC(=N1)C(Cl)(Cl)Cl,"InChI=1S/C4H3Cl3N2O/c1-2-8-3(10-9-2)4(5,6)7/h1H3",ZHFWJCUKKDMFIV-UHFFFAOYSA-N,C4H3Cl3N2O,201.43,199.931096,2.2,38.9,126,0,0,3,0,10,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Ethanone, 1-(5-amino-1,2,4-oxadiazol-3-yl)-",42837-62-7,206085,"1-(5-amino-1,2,4-oxadiazol-3-yl)ethanone",CC(=O)C1=NOC(=N1)N,"InChI=1S/C4H5N3O2/c1-2(8)3-6-4(5)9-7-3/h1H3,(H2,5,6,7)",JLCNFOBYKXAGSB-UHFFFAOYSA-N,C4H5N3O2,127.1,127.0381764,-0.2,82,127,0,1,5,1,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Phenothiazine-5-oxide,1207-71-2,71014,10H-phenothiazine 5-oxide,C1=CC=C2C(=C1)NC3=CC=CC=C3S2=O,"InChI=1S/C12H9NOS/c14-15-11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)15/h1-8,13H",DSAFSORWJPSMQS-UHFFFAOYSA-N,C12H9NOS,215.27,215.0404851,2.3,61.1,244,0,1,2,0,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"10H-Phenothiazine-10-ethanamine, N,N,alpha-trimethyl-, N,5-dioxide, monohydrochloride",,25091454,"N,N-dimethyl-1-(5-oxophenothiazin-10-yl)propan-2-amine oxide;hydrochloride",CC(CN1C2=CC=CC=C2S(=O)C3=CC=CC=C31)[N+](C)(C)[O-].Cl,"InChI=1S/C17H20N2O2S.ClH/c1-13(19(2,3)20)12-18-14-8-4-6-10-16(14)22(21)17-11-7-5-9-15(17)18;/h4-11,13H,12H2,1-3H3;1H",DLHPFOSVJVLDLK-UHFFFAOYSA-N,C17H21ClN2O2S,352.9,352.1012268,,68.3,403,0,1,3,3,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Streptovaricins,1404-74-6,135538643,"methyl (7E,9Z,11R,13R,14R,15R,16R,17R,18R,19R,20E)-2-acetyloxy-12,14,16,18,19,31-hexahydroxy-3,7,11,13,17,19,21,27-octamethyl-6,28-dioxo-23,25-dioxa-5-azatetracyclo[20.7.1.14,29.026,30]hentriaconta-1,3,7,9,20,22(30),26,29(31)-octaene-15-carboxylate",C[C@@H]1/C=C\C=C(\C(=O)NC2=C(C(=C3C(=C2O)C(=O)C(=C4C3=C(/C(=C/[C@@]([C@@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H](C1O)C)O)C(=O)OC)O)C)O)(C)O)/C)OCO4)C)OC(=O)C)C)/C,"InChI=1S/C40H51NO14/c1-16-12-11-13-17(2)38(49)41-28-19(4)36(55-23(8)42)24-25(33(28)47)31(45)21(6)35-26(24)34(53-15-54-35)18(3)14-40(9,51)37(48)22(7)32(46)27(39(50)52-10)30(44)20(5)29(16)43/h11-14,16,20,22,27,29-30,32,37,43-44,46-48,51H,15H2,1-10H3,(H,41,49)/b12-11-,17-13+,18-14+/t16-,20-,22-,27-,29?,30-,32-,37-,40-/m1/s1",JDECNKBYILMOLE-UTNWNAHBSA-N,C40H51NO14,769.8,769.3309553,2.5,239,1680,0,7,14,4,55,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"6,9-Metheno-9H-1,3-dioxino(4,5,6-uv)(4)benzazacyclotricosine-20-carboxylic acid,7-(acetyloxy)-5,10,11,16,17,18,19,20,21,22,23,24-dodecahydro-17,19,21,23,24,27-hexahydroxy-4,8,12,16,18,22,24,26-octamethyl-5,11-dioxo-, methyl ester, stereoisomer",23344-17-4,135462992,"methyl (7E,9Z,11R,12R,13R,14R,15R,16R,17S,18R,19R,20E)-2-acetyloxy-12,14,16,18,19,31-hexahydroxy-3,7,11,13,17,19,21,27-octamethyl-6,28-dioxo-23,25-dioxa-5-azatetracyclo[20.7.1.14,29.026,30]hentriaconta-1,3,7,9,20,22(30),26,29(31)-octaene-15-carboxylate",C[C@@H]1/C=C\C=C(\C(=O)NC2=C(C(=C3C(=C2O)C(=O)C(=C4C3=C(/C(=C/[C@@]([C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]1O)C)O)C(=O)OC)O)C)O)(C)O)/C)OCO4)C)OC(=O)C)C)/C,"InChI=1S/C40H51NO14/c1-16-12-11-13-17(2)38(49)41-28-19(4)36(55-23(8)42)24-25(33(28)47)31(45)21(6)35-26(24)34(53-15-54-35)18(3)14-40(9,51)37(48)22(7)32(46)27(39(50)52-10)30(44)20(5)29(16)43/h11-14,16,20,22,27,29-30,32,37,43-44,46-48,51H,15H2,1-10H3,(H,41,49)/b12-11-,17-13+,18-14+/t16-,20-,22+,27-,29-,30-,32-,37-,40-/m1/s1",JDECNKBYILMOLE-CJQFIEQYSA-N,C40H51NO14,769.8,769.3309553,2.5,239,1680,0,7,14,4,55,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"alpha-Estra-1,3,5,7,9-pentaen-3,17-diol",6639-99-2,223998,"(13S,14S,17R)-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene-3,17-diol",C[C@]12CCC3=C([C@@H]1CC[C@H]2O)C=CC4=C3C=CC(=C4)O,"InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16-17,19-20H,6-9H2,1H3/t16-,17+,18-/m0/s1",RYWZPRVUQHMJFF-KSZLIROESA-N,C18H20O2,268.3,268.1463299,3.8,40.5,382,0,2,2,0,20,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"beta-Estra-1,3,5,7,9-pentaen-3,17-diol",1423-97-8,3032407,"(13S,14S,17S)-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene-3,17-diol",C[C@]12CCC3=C([C@@H]1CC[C@@H]2O)C=CC4=C3C=CC(=C4)O,"InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16-17,19-20H,6-9H2,1H3/t16-,17-,18-/m0/s1",RYWZPRVUQHMJFF-BZSNNMDCSA-N,C18H20O2,268.3,268.1463299,3.8,40.5,382,0,2,2,0,20,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"1H-v-Triazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione",1468-26-4,135400688,"2,4-dihydrotriazolo[4,5-d]pyrimidine-5,7-dione",C12=NNN=C1NC(=O)NC2=O,"InChI=1S/C4H3N5O2/c10-3-1-2(8-9-7-1)5-4(11)6-3/h(H3,5,6,7,8,9,10,11)",KVGVQTOQSNJTJI-UHFFFAOYSA-N,C4H3N5O2,153.1,153.0286744,-1.2,99.8,217,0,3,4,0,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-v-Triazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione, 4,6-dimethyl-",2278-15-1,95842,"4,6-dimethyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione",CN1C2=NNN=C2C(=O)N(C1=O)C,"InChI=1S/C6H7N5O2/c1-10-4-3(7-9-8-4)5(12)11(2)6(10)13/h1-2H3,(H,7,8,9)",YSKBPNLSRKSFFI-UHFFFAOYSA-N,C6H7N5O2,181.15,181.0599745,-0.8,82.2,268,0,1,4,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Morpholine, 4-cyclododecyl-2,6-dimethyl-",1593-77-7,61899,"4-cyclododecyl-2,6-dimethylmorpholine",CC1CN(CC(O1)C)C2CCCCCCCCCCC2,"InChI=1S/C18H35NO/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18/h16-18H,3-15H2,1-2H3",JMXKCYUTURMERF-UHFFFAOYSA-N,C18H35NO,281.5,281.2718647,5.8,12.5,234,0,0,2,1,20,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,1,1,0
"Morpholine, N-cyclododecyl-2,6-dimethyl-, acetate",31717-87-0,61898,"acetic acid;4-cyclododecyl-2,6-dimethylmorpholine",CC1CN(CC(O1)C)C2CCCCCCCCCCC2.CC(=O)O,"InChI=1S/C18H35NO.C2H4O2/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18;1-2(3)4/h16-18H,3-15H2,1-2H3;1H3,(H,3,4)",YLJLLELGHSWIDU-UHFFFAOYSA-N,C20H39NO3,341.5,341.2929941,,49.8,265,0,1,4,1,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,1,1,0
"1-Butanone, 1-(4-fluorophenyl)-4-(4-methyl-1-piperidinyl)-",3575-80-2,15387,1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one,CC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F,"InChI=1S/C16H22FNO/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14/h4-7,13H,2-3,8-12H2,1H3",DKMFBWQBDIGMHM-UHFFFAOYSA-N,C16H22FNO,263.35,263.1685425,3.3,20.3,278,0,0,3,5,19,,120-125,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"(1,4'-Bipiperidine)-4'-carboxamide, 1'-(3-(p-fluorobenzoyl)propyl)-",1893-33-0,4830,1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ylpiperidine-4-carboxamide,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N,"InChI=1S/C21H30FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-9H,1-5,10-16H2,(H2,23,27)",AXKPFOAXAHJUAG-UHFFFAOYSA-N,C21H30FN3O2,375.5,375.2322054,2,66.6,506,0,1,5,7,27,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,1
"(1,4'-Bipiperidine)-4'-carboxamide, 1'-(3-(p-fluorobenzoyl)propyl)-, dihydrochloride",2448-68-2,11705034,1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride,C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N.Cl.Cl,"InChI=1S/C21H30FN3O2.2ClH/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25;;/h6-9H,1-5,10-16H2,(H2,23,27);2*1H",BMXXSXQVMCXGJM-UHFFFAOYSA-N,C21H32Cl2FN3O2,448.4,447.1855608,,66.6,506,0,3,5,7,29,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 4,4'-(1,4-phenylenebis(2,2-propanediyl))bis-",2167-51-3,630355,4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol,CC(C)(C1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)O)C3=CC=C(C=C3)O,"InChI=1S/C24H26O2/c1-23(2,19-9-13-21(25)14-10-19)17-5-7-18(8-6-17)24(3,4)20-11-15-22(26)16-12-20/h5-16,25-26H,1-4H3",GIXXQTYGFOHYPT-UHFFFAOYSA-N,C24H26O2,346.5,346.1932801,6.1,40.5,389,0,2,2,4,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenamine, 4,4'-(1,4-phenylenebis(1-methylethylidene))bis-",10/1/16,75930,4-[2-[4-[2-(4-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline,CC(C)(C1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)N)C3=CC=C(C=C3)N,"InChI=1S/C24H28N2/c1-23(2,19-9-13-21(25)14-10-19)17-5-7-18(8-6-17)24(3,4)20-11-15-22(26)16-12-20/h5-16H,25-26H2,1-4H3",HESXPOICBNWMPI-UHFFFAOYSA-N,C24H28N2,344.5,344.2252489,6.2,52,389,0,2,2,4,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"19-Nor-9-beta,10-alpha-lanosta-1,5,23-triene-3,11,22-trione, 9-methyl-2,16,20,25-tetrahydroxy-",7/3/22,5281321,"(8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione",C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)O)C)C)[C@](C)(C(=O)/C=C/C(C)(C)O)O)O,"InChI=1S/C30H42O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-13,17,19-20,23,31-32,36-37H,10,14-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,27+,28-,29+,30+/m1/s1",NISPVUDLMHQFRQ-MKIKIEMVSA-N,C30H42O7,514.6,514.2930537,2.7,132,1160,0,4,7,4,37,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"19-Nor-9-beta,10-alpha-lanosta-1,5,23-triene-3,11,22-trione, 2,16-alpha,20,25-tetrahydroxy-9-methyl-, 25-acetate",18444-66-1,5281319,"[(E,6R)-6-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate",CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)O)C)C)C)O)O,"InChI=1S/C32H44O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-14,19,21-22,25,34-35,39H,11,15-16H2,1-9H3/b13-12+/t19-,21-,22+,25+,29+,30-,31+,32+/m1/s1",NDYMQXYDSVBNLL-MUYMLXPFSA-N,C32H44O8,556.7,556.3036184,3.2,138,1270,0,3,8,6,40,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Norbornanamine, N-ethyl-3-phenyl-, hydrochloride",2240-14-4,102773,N-ethyl-3-phenylbicyclo[2.2.1]heptan-2-amine;hydrochloride,CCNC1C2CCC(C2)C1C3=CC=CC=C3.Cl,"InChI=1S/C15H21N.ClH/c1-2-16-15-13-9-8-12(10-13)14(15)11-6-4-3-5-7-11;/h3-7,12-16H,2,8-10H2,1H3;1H",CVFSMSTXULJISA-UHFFFAOYSA-N,C15H22ClN,251.79,251.1440774,,12,232,0,2,1,3,17,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Bicyclo(2.2.1)heptane-2-carboxylic acid, 2-phenyl-, 3-(diethylamino)propyl ester",20448-86-6,70687267,"3-(diethylamino)propyl (1S,4R)-2-phenylbicyclo[2.2.1]heptane-2-carboxylate",CCN(CC)CCCOC(=O)C1(C[C@@H]2CC[C@H]1C2)C3=CC=CC=C3,"InChI=1S/C21H31NO2/c1-3-22(4-2)13-8-14-24-20(23)21(18-9-6-5-7-10-18)16-17-11-12-19(21)15-17/h5-7,9-10,17,19H,3-4,8,11-16H2,1-2H3/t17-,19+,21?/m1/s1",BDNMABJZSXTKAQ-VCPDFFEISA-N,C21H31NO2,329.5,329.2354792,4.7,29.5,414,0,0,3,9,24,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Oxirane, ((1-naphthalenyloxy)methyl)-, (S)-",61249-00-1,148933,(2S)-2-(naphthalen-1-yloxymethyl)oxirane,C1[C@H](O1)COC2=CC=CC3=CC=CC=C32,"InChI=1S/C13H12O2/c1-2-6-12-10(4-1)5-3-7-13(12)15-9-11-8-14-11/h1-7,11H,8-9H2/t11-/m0/s1",QYYCPWLLBSSFBW-NSHDSACASA-N,C13H12O2,200.23,200.0837296,3.3,21.8,217,0,0,2,3,15,,,1,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Naphthalene, 1-(2,3-epoxypropoxy)-",2461-42-9,91521,2-(naphthalen-1-yloxymethyl)oxirane,C1C(O1)COC2=CC=CC3=CC=CC=C32,"InChI=1S/C13H12O2/c1-2-6-12-10(4-1)5-3-7-13(12)15-9-11-8-14-11/h1-7,11H,8-9H2",QYYCPWLLBSSFBW-UHFFFAOYSA-N,C13H12O2,200.23,200.0837296,3.3,21.8,217,0,0,2,3,15,,,0,0,0,1,0,1,0,1,0,0,1,0,0,0,0,0,1,1,0,1
"Oleandomycin, phosphate (1:1) (salt)",7060-74-4,72492,"(3R,5S,6S,7R,8S,9R,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-8-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione;phosphoric acid",C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)O)OC)C)C)C)O)C)C)O)N(C)C.OP(=O)(O)O,"InChI=1S/C35H61NO12.H3O4P/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34;1-5(2,3)4/h16-31,34,37-39H,12-15H2,1-11H3;(H3,1,2,3,4)/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+;/m0./s1",RLPCJGKQKFMBEI-UOBLTHIJSA-N,C35H64NO16P,785.9,785.396272,,244,1140,0,6,17,6,53,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Oleandomycin, triacetate (ester)",9/9/51,202225,"[(3R,5S,6S,7R,8S,9R,12R,13S,14S,15R)-6-[(2S,3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-[(2R,4S,5S,6S)-5-acetyloxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-10,16-dioxo-1,11-dioxaspiro[2.13]hexadecan-14-yl] acetate",C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)N(C)C,"InChI=1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33-,34-,35-,36-,37+,40-,41+/m0/s1",LQCLVBQBTUVCEQ-QTFUVMRISA-N,C41H67NO15,814,813.4510704,4.3,184,1430,0,0,16,12,57,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Veratric acid, 4-(ethyl(p-methoxy-alpha-methylphenethyl)amino)butyl ester,hydrochloride",2753-45-9,17683,"4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate;hydrochloride",CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC.Cl,"InChI=1S/C25H35NO5.ClH/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5;/h9-14,18-19H,6-8,15-17H2,1-5H3;1H",PLGQWYOULXPJRE-UHFFFAOYSA-N,C25H36ClNO5,466,465.2282009,,57.2,494,0,1,6,14,32,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Veratric acid, 4-((ethyl(p-methoxy-alpha-methylphenethyl))amino)butyl ester",6/7/25,4031,"4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate",CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC,"InChI=1S/C25H35NO5/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5/h9-14,18-19H,6-8,15-17H2,1-5H3",VYVKHNNGDFVQGA-UHFFFAOYSA-N,C25H35NO5,429.5,429.2515232,5.2,57.2,494,0,0,6,14,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Theophylline, 8-benzyl-7-(2-(ethyl(2-hydroxyethyl)amino)ethyl)-, monohydrochloride",20684-06-4,68549,"8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride",CCN(CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=CC=C3)CCO.Cl,"InChI=1S/C20H27N5O3.ClH/c1-4-24(12-13-26)10-11-25-16(14-15-8-6-5-7-9-15)21-18-17(25)19(27)23(3)20(28)22(18)2;/h5-9,26H,4,10-14H2,1-3H3;1H",PDBXHPORMXSXKO-UHFFFAOYSA-N,C20H28ClN5O3,421.9,421.1880675,,81.9,554,0,2,5,8,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1H-Pyrazole-3,5-dicarboxylic acid, 1-(2,4-dichlorophenyl)-4,5-dihydro-5-methyl-, diethyl ester",135590-91-9,10937610,"diethyl 1-(2,4-dichlorophenyl)-5-methyl-4H-pyrazole-3,5-dicarboxylate",CCOC(=O)C1=NN(C(C1)(C)C(=O)OCC)C2=C(C=C(C=C2)Cl)Cl,"InChI=1S/C16H18Cl2N2O4/c1-4-23-14(21)12-9-16(3,15(22)24-5-2)20(19-12)13-7-6-10(17)8-11(13)18/h6-8H,4-5,9H2,1-3H3",OPGCOAPTHCZZIW-UHFFFAOYSA-N,C16H18Cl2N2O4,373.2,372.0643624,3.9,68.2,528,0,0,6,7,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Pyrazoline, 3-amino-1-phenyl-",3314-35-0,98736,"2-phenyl-3,4-dihydropyrazol-5-amine",C1CN(N=C1N)C2=CC=CC=C2,"InChI=1S/C9H11N3/c10-9-6-7-12(11-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)",QENUTIJJGGTTPE-UHFFFAOYSA-N,C9H11N3,161.2,161.0952974,0.9,41.6,182,0,1,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H-1,2,4-Triazole, 5-phenyl-",3357-42-4,18786,"5-phenyl-1H-1,2,4-triazole",C1=CC=C(C=C1)C2=NC=NN2,"InChI=1S/C8H7N3/c1-2-4-7(5-3-1)8-9-6-10-11-8/h1-6H,(H,9,10,11)",NYMLZIFRPNYAHS-UHFFFAOYSA-N,C8H7N3,145.16,145.0639972,1.6,41.6,121,0,1,2,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1,2,4-Triazole, 3-amino-5-phenyl-",4922-98-9,95778,"5-phenyl-1H-1,2,4-triazol-3-amine",C1=CC=C(C=C1)C2=NC(=NN2)N,"InChI=1S/C8H8N4/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)",GHUDJFJZFUVPIQ-UHFFFAOYSA-N,C8H8N4,160.18,160.0748963,1.5,67.6,144,0,2,3,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"s-Triazole-3-thiol, 5-(p-chlorophenyl)-",26028-65-9,689099,"5-(4-chlorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione",C1=CC(=CC=C1C2=NC(=S)NN2)Cl,"InChI=1S/C8H6ClN3S/c9-6-3-1-5(2-4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)",NHEHIODVWGKDFV-UHFFFAOYSA-N,C8H6ClN3S,211.67,210.9970961,2.5,68.5,246,0,2,1,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1,2,4-Triazole-3-thiol, 5-phenyl-",3414-94-6,698268,"5-phenyl-1,2-dihydro-1,2,4-triazole-3-thione",C1=CC=C(C=C1)C2=NC(=S)NN2,"InChI=1S/C8H7N3S/c12-8-9-7(10-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11,12)",JRLMMJNORORYPO-UHFFFAOYSA-N,C8H7N3S,177.23,177.0360684,1.8,68.5,218,0,2,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrimidine, 2-(4-piperonyl-1-piperazinyl)-",1/4/05,4850,"2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine",C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4,"InChI=1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2",OQDPVLVUJFGPGQ-UHFFFAOYSA-N,C16H18N4O2,298.34,298.1429758,1.8,50.7,356,0,0,6,3,22,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1
"Pyridine, 2-(1-(2-(2-(dimethylamino)ethyl)inden-3-yl)ethyl)-",5636-83-9,21855,"N,N-dimethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine",CC(C1=CC=CC=N1)C2=C(CC3=CC=CC=C32)CCN(C)C,"InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3",MVMQESMQSYOVGV-UHFFFAOYSA-N,C20H24N2,292.4,292.1939488,2.7,16.1,399,0,0,2,5,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1,2,4-Triazol-3-amine, 5-(4-pyridinyl)-",3652-17-3,199040,"5-pyridin-4-yl-1H-1,2,4-triazol-3-amine",C1=CN=CC=C1C2=NC(=NN2)N,"InChI=1S/C7H7N5/c8-7-10-6(11-12-7)5-1-3-9-4-2-5/h1-4H,(H3,8,10,11,12)",PHYOJNNPPUPKEA-UHFFFAOYSA-N,C7H7N5,161.16,161.0701452,0.5,80.5,145,0,2,4,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1,2,4-Triazole, 5-(4-pyridyl)-",14803-99-7,203621,"4-(1H-1,2,4-triazol-5-yl)pyridine",C1=CN=CC=C1C2=NC=NN2,"InChI=1S/C7H6N4/c1-3-8-4-2-6(1)7-9-5-10-11-7/h1-5H,(H,9,10,11)",OYJDWYWNACFAQB-UHFFFAOYSA-N,C7H6N4,146.15,146.0592462,0.6,54.5,122,0,1,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperidine, 1-(2-((p-chloro-alpha-phenylbenzyl)oxy)ethyl)-",3703-76-2,2805,1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine,C1CCN(CC1)CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl,"InChI=1S/C20H24ClNO/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22/h1,3-4,7-12,20H,2,5-6,13-16H2",FLNXBVJLPJNOSI-UHFFFAOYSA-N,C20H24ClNO,329.9,329.1546421,4.8,12.5,318,0,0,2,6,23,,178-180,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1
"Piperidine, 1-(2-((p-chloro-alpha-phenylbenzyl)oxy)ethyl)-, hydrochloride",14984-68-0,161104,1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine;hydrochloride,C1CCN(CC1)CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl,"InChI=1S/C20H24ClNO.ClH/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22;/h1,3-4,7-12,20H,2,5-6,13-16H2;1H",UNPLRYRWJLTVAE-UHFFFAOYSA-N,C20H25Cl2NO,366.3,365.1313198,,12.5,318,0,1,2,6,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,4-Oxadiazole, 2-amino-5-(5-nitro-2-furyl)-",3775-55-1,77406,"5-(5-nitrofuran-2-yl)-1,3,4-oxadiazol-2-amine",C1=C(OC(=C1)[N+](=O)[O-])C2=NN=C(O2)N,"InChI=1S/C6H4N4O4/c7-6-9-8-5(14-6)3-1-2-4(13-3)10(11)12/h1-2H,(H2,7,9)",VTWQUFUBSCXPOW-UHFFFAOYSA-N,C6H4N4O4,196.12,196.0232546,0.3,124,232,0,1,7,1,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,4-Oxadiazole, 2-amino-5-(2-furyl)-",6/5/59,202185,"5-(furan-2-yl)-1,3,4-oxadiazol-2-amine",C1=COC(=C1)C2=NN=C(O2)N,"InChI=1S/C6H5N3O2/c7-6-9-8-5(11-6)4-2-1-3-10-4/h1-3H,(H2,7,9)",RNARLYVZVOWYHW-UHFFFAOYSA-N,C6H5N3O2,151.12,151.0381764,0.2,78.1,144,0,1,5,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenanthridinium, 3-amino-5-ethyl-8-(3-(m-guanidinophenyl)-2-triazeno)-6-phenyl-, chloride,hydrochloride",4174-74-7,197856,3-[2-(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)iminohydrazinyl]benzenecarboximidamide;chloride;hydrochloride,CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N=NNC5=CC=CC(=C5)C(=N)N)N.Cl.[Cl-],"InChI=1S/C28H25N7.2ClH/c1-2-35-26-16-20(29)11-13-24(26)23-14-12-22(17-25(23)27(35)18-7-4-3-5-8-18)33-34-32-21-10-6-9-19(15-21)28(30)31;;/h3-17,29H,2H2,1H3,(H4,30,31,32,33);2*1H",URSFPCGNENDEFB-UHFFFAOYSA-N,C28H27Cl2N7,532.5,531.1704993,,117,735,0,5,6,6,37,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenanthridinium, 3-amino-8-(3-(3-(aminoiminomethyl)phenyl)-1-triazenyl)-5-ethyl-6-phenyl-,chloride",34301-55-8,92295,3-[2-(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)iminohydrazinyl]benzenecarboximidamide chloride,CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N=NNC5=CC=CC(=C5)C(=N)N)N.[Cl-],"InChI=1S/C28H25N7.ClH/c1-2-35-26-16-20(29)11-13-24(26)23-14-12-22(17-25(23)27(35)18-7-4-3-5-8-18)33-34-32-21-10-6-9-19(15-21)28(30)31;/h3-17,29H,2H2,1H3,(H4,30,31,32,33);1H",QNZJTSGALAVCLH-UHFFFAOYSA-N,C28H26ClN7,496,495.1938216,,117,735,0,4,6,6,36,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,8,11,11a,12(1H)-hexol, dodecahydro-1,1,4,8-tetramethyl-, (2S,3as,4R,4ar,7R,8R,9as,11R,11aR,12R)-",4678-45-9,11057730,"(1S,3R,4R,6S,8S,9R,10R,13R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,9,14,16-hexol",C[C@]1(C[C@@]23C[C@H]([C@]4([C@@H](C[C@@H](C4(C)C)O)[C@]([C@@H]2CC[C@@H]1[C@H]3O)(C)O)O)O)O,"InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10-,11+,12+,13+,14-,15-,17-,18-,19+,20+/m1/s1",BWMFRQKICHXLSH-FIRPSQKQSA-N,C20H34O6,370.5,370.2355388,0.3,121,623,0,6,6,0,26,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,8,11,11a,12(1H)-hexol, dodecahydro-1,1,4,8-tetramethyl-, 12-acetate (2S,3as,4R,4ar,7R,8R,9as,11R,11aR,12R)-",9/6/20,9548612,"[(1S,3R,4R,6S,8S,9R,10R,13R,14R,16R)-3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate",CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H]([C@]4([C@H]([C@]3(C)O)C[C@@H](C4(C)C)O)O)O)C[C@@]2(C)O,"InChI=1S/C22H36O7/c1-11(23)29-17-12-6-7-13-20(5,27)14-8-15(24)18(2,3)22(14,28)16(25)9-21(13,17)10-19(12,4)26/h12-17,24-28H,6-10H2,1-5H3/t12-,13+,14+,15+,16-,17-,19-,20-,21+,22+/m1/s1",NXCYBYJXCJWMRY-VGBBEZPXSA-N,C22H36O7,412.5,412.2461035,0.8,127,724,0,5,7,2,29,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperidine, 1-(p-tolylsulfonyl)-",4703-22-4,78431,1-(4-methylphenyl)sulfonylpiperidine,CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2,"InChI=1S/C12H17NO2S/c1-11-5-7-12(8-6-11)16(14,15)13-9-3-2-4-10-13/h5-8H,2-4,9-10H2,1H3",IGWGXOHABPCPHZ-UHFFFAOYSA-N,C12H17NO2S,239.34,239.098,2.3,45.8,306,0,0,3,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Isothiocyanic acid, (4-piperidinosulfonyl)phenyl ester",7356-55-0,23815,1-(4-isothiocyanatophenyl)sulfonylpiperidine,C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N=C=S,"InChI=1S/C12H14N2O2S2/c15-18(16,14-8-2-1-3-9-14)12-6-4-11(5-7-12)13-10-17/h4-7H,1-3,8-9H2",PMPSZAXEUCIVDC-UHFFFAOYSA-N,C12H14N2O2S2,282.4,282.04967,3.3,90.2,410,0,0,5,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, maleate",4789-68-8,11957654,"(Z)-but-2-enedioic acid;1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine",CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C19H21ClN2S.C4H4O4/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19;5-3(6)1-2-4(7)8/h2-7,13,17H,8-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-",GWKBZIADWSOIQV-BTJKTKAUSA-N,C23H25ClN2O4S,461,460.1223562,,106,518,0,2,7,3,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperazine, 1-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methyl-, (+-)-",20229-30-5,4106,"1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine",CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC,"InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3",RLJFTICUTYVZDG-UHFFFAOYSA-N,C20H24N2S2,356.6,356.1380911,4.2,57.1,410,0,0,4,2,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-phenethyl-",6/5/53,3344,"8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one",C1CN(CCC12CNC(=O)O2)CCC3=CC=CC=C3,"InChI=1S/C15H20N2O2/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18)",FVNFBBAOMBJTST-UHFFFAOYSA-N,C15H20N2O2,260.33,260.1524779,2.1,41.6,318,0,1,3,3,19,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-phenethyl-, monohydrochloride",8/7/53,68626,"8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride",C1CN(CCC12CNC(=O)O2)CCC3=CC=CC=C3.Cl,"InChI=1S/C15H20N2O2.ClH/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13;/h1-5H,6-12H2,(H,16,18);1H",FIKFLLIUPUVONI-UHFFFAOYSA-N,C15H21ClN2O2,296.79,296.1291556,,41.6,318,0,2,3,3,20,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cinchoninic acid, 6-methyl-2-(3-pyridyl)-",2/1/10,21187,6-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid,CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CN=CC=C3,"InChI=1S/C16H12N2O2/c1-10-4-5-14-12(7-10)13(16(19)20)8-15(18-14)11-3-2-6-17-9-11/h2-9H,1H3,(H,19,20)",YVJIAXLVVRQUJP-UHFFFAOYSA-N,C16H12N2O2,264.28,264.0898776,2.7,63.1,360,0,1,4,2,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cinchoninic acid, 2-(3-pyridyl)-",7482-91-9,24067,2-pyridin-3-ylquinoline-4-carboxylic acid,C1=CC=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)O,"InChI=1S/C15H10N2O2/c18-15(19)12-8-14(10-4-3-7-16-9-10)17-13-6-2-1-5-11(12)13/h1-9H,(H,18,19)",XQNXXNNXRWYNAS-UHFFFAOYSA-N,C15H10N2O2,250.25,250.0742276,2.3,63.1,334,0,1,4,2,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperidine, 4-(9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)-1-methyl-,malate (1:1)",11/7/89,168993,"2-hydroxybutanedioic acid;1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidine",CN1CCC(=C2C3=C(CCC4=CC=CC=C42)SC=C3)CC1.C(C(C(=O)O)O)C(=O)O,"InChI=1S/C19H21NS.C4H6O5/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18;5-2(4(8)9)1-3(6)7/h2-5,10,13H,6-9,11-12H2,1H3;2,5H,1H2,(H,6,7)(H,8,9)",IWAWCPZVTXCFKD-UHFFFAOYSA-N,C23H27NO5S,429.5,429.1609941,,126,535,0,3,7,3,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperidine, 4-(9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)-1-methyl-",15574-96-6,27400,"1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidine",CN1CCC(=C2C3=C(CCC4=CC=CC=C42)SC=C3)CC1,"InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3",FIADGNVRKBPQEU-UHFFFAOYSA-N,C19H21NS,295.4,295.1394709,3.8,31.5,406,0,0,2,0,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"4H-Pyrido(1,2-a)pyrimidin-4-one, 2-chloro-",5418-94-0,94959,"2-chloropyrido[1,2-a]pyrimidin-4-one",C1=CC2=NC(=CC(=O)N2C=C1)Cl,InChI=1S/C8H5ClN2O/c9-6-5-8(12)11-4-2-1-3-7(11)10-6/h1-5H,CGGMQFDVKUHJED-UHFFFAOYSA-N,C8H5ClN2O,180.59,180.0090405,1,32.7,352,0,0,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-Pyrido(1,2-a)pyrimidine-3-carboxaldehyde, 2-chloro-4-oxo-",17481-62-8,97222,"2-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde",C1=CC2=NC(=C(C(=O)N2C=C1)C=O)Cl,InChI=1S/C9H5ClN2O2/c10-8-6(5-13)9(14)12-4-2-1-3-7(12)11-8/h1-5H,VHLHXLJSHPMFCL-UHFFFAOYSA-N,C9H5ClN2O2,208.6,208.0039551,0.5,49.7,432,0,0,3,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Ketone, phenyl 3-pyridyl",5424-19-1,21540,phenyl(pyridin-3-yl)methanone,C1=CC=C(C=C1)C(=O)C2=CN=CC=C2,InChI=1S/C12H9NO/c14-12(10-5-2-1-3-6-10)11-7-4-8-13-9-11/h1-9H,RYMBAPVTUHZCNF-UHFFFAOYSA-N,C12H9NO,183.21,183.0684139,1.9,30,196,0,0,2,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Methanone, (5-chloro-2-methoxy-4-methyl-3-pyridinyl)(2,3,4-trimethoxy-6-methylphenyl)-",688046-61-9,23082663,"(5-chloro-2-methoxy-4-methyl-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone",CC1=CC(=C(C(=C1C(=O)C2=C(C(=CN=C2OC)Cl)C)OC)OC)OC,"InChI=1S/C18H20ClNO5/c1-9-7-12(22-3)16(23-4)17(24-5)13(9)15(21)14-10(2)11(19)8-20-18(14)25-6/h7-8H,1-6H3",NMVCBWZLCXANER-UHFFFAOYSA-N,C18H20ClNO5,365.8,365.1030004,3.8,66.9,451,0,0,6,6,25,,,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Pyrrolidinone, 5-methyl-5-phenyl-",5578-98-3,151262,5-methyl-5-phenylpyrrolidin-2-one,CC1(CCC(=O)N1)C2=CC=CC=C2,"InChI=1S/C11H13NO/c1-11(8-7-10(13)12-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)",QQPZUNZVKFTDSY-UHFFFAOYSA-N,C11H13NO,175.23,175.099714,1.3,29.1,208,0,1,1,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyrrolidinone, 5-phenyl-",22050-10-8,95672,5-phenylpyrrolidin-2-one,C1CC(=O)NC1C2=CC=CC=C2,"InChI=1S/C10H11NO/c12-10-7-6-9(11-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)",TVESJBDGOZUZRH-UHFFFAOYSA-N,C10H11NO,161.2,161.084064,1.1,29.1,173,0,1,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrazole, 3-amino-4-(p-chlorophenyl)-",40545-65-1,218417,4-(4-chlorophenyl)-1H-pyrazol-5-amine,C1=CC(=CC=C1C2=C(NN=C2)N)Cl,"InChI=1S/C9H8ClN3/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13)",CTDDRNREDMYWMI-UHFFFAOYSA-N,C9H8ClN3,193.63,193.040675,2.1,54.7,168,0,2,2,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrazole, 3-amino-4-phenyl-",5591-70-8,79703,4-phenyl-1H-pyrazol-5-amine,C1=CC=C(C=C1)C2=C(NN=C2)N,"InChI=1S/C9H9N3/c10-9-8(6-11-12-9)7-4-2-1-3-5-7/h1-6H,(H3,10,11,12)",QEHKQNYBBLCFIJ-UHFFFAOYSA-N,C9H9N3,159.19,159.0796473,1.5,54.7,143,0,2,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyrrolidinecarboxylic acid, 5-oxo-1-(phenylmethyl)-",5733-86-8,99024,1-benzyl-5-oxopyrrolidine-3-carboxylic acid,C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)O,"InChI=1S/C12H13NO3/c14-11-6-10(12(15)16)8-13(11)7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)",VYKQDWPBYULGPF-UHFFFAOYSA-N,C12H13NO3,219.24,219.0895433,0.5,57.6,284,0,1,3,3,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-Proline, 1-((4-fluorophenyl)methyl)-5-oxo-",59749-21-2,3042461,(2S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid,C1CC(=O)N([C@@H]1C(=O)O)CC2=CC=C(C=C2)F,"InChI=1S/C12H12FNO3/c13-9-3-1-8(2-4-9)7-14-10(12(16)17)5-6-11(14)15/h1-4,10H,5-7H2,(H,16,17)/t10-/m0/s1",HVGUBDIPIWRNTI-JTQLQIEISA-N,C12H12FNO3,237.23,237.0801214,1,57.6,313,0,1,4,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-Indol-2-one, 1,3-dihydro-3-((4-hydroxyphenyl)methylene)-5,6-dimethoxy-",,1749978,"(3Z)-3-[(4-hydroxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one",COC1=C(C=C2C(=C1)/C(=C/C3=CC=C(C=C3)O)/C(=O)N2)OC,"InChI=1S/C17H15NO4/c1-21-15-8-12-13(7-10-3-5-11(19)6-4-10)17(20)18-14(12)9-16(15)22-2/h3-9,19H,1-2H3,(H,18,20)/b13-7-",JGSMCYNBVCGIHC-QPEQYQDCSA-N,C17H15NO4,297.3,297.100108,2.5,67.8,442,0,2,4,3,22,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Imidazole-2-thiol, 4-phenyl-",6857-34-7,1132611,"4-phenyl-1,3-dihydroimidazole-2-thione",C1=CC=C(C=C1)C2=CNC(=S)N2,"InChI=1S/C9H8N2S/c12-9-10-6-8(11-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11,12)",ISOLPDRTYOTMTO-UHFFFAOYSA-N,C9H8N2S,176.24,176.0408194,1.4,56.2,217,0,2,1,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2H-Imidazole-2-thione, 1,3-dihydro-4-(4-fluorophenyl)-",93103-15-2,3022078,"4-(4-fluorophenyl)-1,3-dihydroimidazole-2-thione",C1=CC(=CC=C1C2=CNC(=S)N2)F,"InChI=1S/C9H7FN2S/c10-7-3-1-6(2-4-7)8-5-11-9(13)12-8/h1-5H,(H2,11,12,13)",CQYXXBUINDPILP-UHFFFAOYSA-N,C9H7FN2S,194.23,194.0313976,1.5,56.2,244,0,2,2,1,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Strychnidin-10-one, 2,3-dimethoxy-, N-oxide",17301-81-4,11122452,"(4aR,5aS,8aS,13aS,15aS,15bR)-10,11-dimethoxy-6-oxido-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium-14-one",COC1=C(C=C2C(=C1)[C@]34CC[N+]5([C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)[O-])OC,"InChI=1S/C23H26N2O5/c1-28-16-8-14-15(9-17(16)29-2)24-20(26)10-18-21-13-7-19-23(14,22(21)24)4-5-25(19,27)11-12(13)3-6-30-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+,25?/m0/s1",HHHQMKWPZAYIAE-AWRJASDASA-N,C23H26N2O5,410.5,410.1841719,0.4,66.1,832,0,0,5,2,30,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperidinium, 1,1-dimethyl-4-((3-methyl-1-oxo-2-phenylpentyl)oxy)-, methyl sulfate",7681-80-3,71367,"(1,1-dimethylpiperidin-1-ium-4-yl) 3-methyl-2-phenylpentanoate;methyl sulfate",CCC(C)C(C1=CC=CC=C1)C(=O)OC2CC[N+](CC2)(C)C.COS(=O)(=O)[O-],"InChI=1S/C19H30NO2.CH4O4S/c1-5-15(2)18(16-9-7-6-8-10-16)19(21)22-17-11-13-20(3,4)14-12-17;1-5-6(2,3)4/h6-10,15,17-18H,5,11-14H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",YGURFDXYQNOJCS-UHFFFAOYSA-M,C20H33NO6S,415.5,415.202859,,101,441,0,0,6,6,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Quinuclidinemethanol, alpha,alpha-diphenyl-, hydrochloride",10447-38-8,115027,1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol;hydrochloride,C1CN2CCC1C(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.Cl,"InChI=1S/C20H23NO.ClH/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-15-21-13-11-16(19)12-14-21;/h1-10,16,19,22H,11-15H2;1H",MVCBFPDJWSQMNY-UHFFFAOYSA-N,C20H24ClNO,329.9,329.1546421,,23.5,344,0,2,2,3,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Azabicyclo(2.2.2)octane-3-methanol, alpha,alpha-bis(2-methylphenyl)-, hydrochloride",57734-70-0,50853316,1-azabicyclo[2.2.2]octan-3-yl-bis(2-methylphenyl)methanol;hydrochloride,CC1=CC=CC=C1C(C2CN3CCC2CC3)(C4=CC=CC=C4C)O.Cl,"InChI=1S/C22H27NO.ClH/c1-16-7-3-5-9-19(16)22(24,20-10-6-4-8-17(20)2)21-15-23-13-11-18(21)12-14-23;/h3-10,18,21,24H,11-15H2,1-2H3;1H",WCYWFJOJKZCSAJ-UHFFFAOYSA-N,C22H28ClNO,357.9,357.1859422,,23.5,406,0,2,2,3,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Pyrrolidinone, 5-(phenylmethyl)-",14293-06-2,99881,5-benzylpyrrolidin-2-one,C1CC(=O)NC1CC2=CC=CC=C2,"InChI=1S/C11H13NO/c13-11-7-6-10(12-11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)",UJTLWBQZNAXBAQ-UHFFFAOYSA-N,C11H13NO,175.23,175.099714,1.6,29.1,185,0,1,1,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyrrolidinone, 3-methyl-5-(phenylmethyl)-",97562-04-4,3024934,5-benzyl-3-methylpyrrolidin-2-one,CC1CC(NC1=O)CC2=CC=CC=C2,"InChI=1S/C12H15NO/c1-9-7-11(13-12(9)14)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,13,14)",WPMFKCWRVDOCEC-UHFFFAOYSA-N,C12H15NO,189.25,189.1153641,2.2,29.1,208,0,1,1,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propane, 1-(benzyloxy)-2,3-epoxy-, (S)-",14618-80-5,159746,(2R)-2-(phenylmethoxymethyl)oxirane,C1[C@@H](O1)COCC2=CC=CC=C2,"InChI=1S/C10H12O2/c1-2-4-9(5-3-1)6-11-7-10-8-12-10/h1-5,10H,6-8H2/t10-/m0/s1",QNYBOILAKBSWFG-JTQLQIEISA-N,C10H12O2,164.2,164.0837296,1.3,21.8,130,0,0,2,4,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Dioxolo(4,5-g)quinoline-7-carboxylic acid, 5-ethyl-5,8-dihydro-8-oxo-",14698-29-4,4628,"5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid",CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O,"InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)",KYGZCKSPAKDVKC-UHFFFAOYSA-N,C13H11NO5,261.23,261.0637225,-0.2,76.1,446,0,1,6,2,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Dioxolo(4,5-g)quinolin-8(5H)-one, 7-acetyl-5-ethyl-",34841-20-8,36943,"7-acetyl-5-ethyl-[1,3]dioxolo[4,5-g]quinolin-8-one",CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)C,"InChI=1S/C14H13NO4/c1-3-15-6-10(8(2)16)14(17)9-4-12-13(5-11(9)15)19-7-18-12/h4-6H,3,7H2,1-2H3",KOHITSRPJYWLST-UHFFFAOYSA-N,C14H13NO4,259.26,259.0844579,1.8,55.8,445,0,0,5,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isonicotinic acid, cyclohexylidenehydrazide",15407-81-5,27256,N-(cyclohexylideneamino)pyridine-4-carboxamide,C1CCC(=NNC(=O)C2=CC=NC=C2)CC1,"InChI=1S/C12H15N3O/c16-12(10-6-8-13-9-7-10)15-14-11-4-2-1-3-5-11/h6-9H,1-5H2,(H,15,16)",NGFVJSNUQFGXDF-UHFFFAOYSA-N,C12H15N3O,217.27,217.1215121,1.3,54.4,261,0,1,3,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isonicotinic acid, (4-methylcyclohexylidene)hydrazide",15407-83-7,203870,N-[(4-methylcyclohexylidene)amino]pyridine-4-carboxamide,CC1CCC(=NNC(=O)C2=CC=NC=C2)CC1,"InChI=1S/C13H17N3O/c1-10-2-4-12(5-3-10)15-16-13(17)11-6-8-14-9-7-11/h6-10H,2-5H2,1H3,(H,16,17)",SLBNEHOMJBNFJF-UHFFFAOYSA-N,C13H17N3O,231.29,231.1371622,1.6,54.4,285,0,1,3,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperidinium, 1,1'-(2-beta,16-beta-(3-alpha,17-beta-dihydroxy-5-alpha-androstanylene))bis(1-methyl-, dibromide, diacetate",15500-66-0,27350,"[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate dibromide",CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-].[Br-],"InChI=1S/C35H60N2O4.2BrH/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36;;/h26-33H,7-23H2,1-6H3;2*1H/q+2;;/p-2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-;;/m0../s1",NPIJXCQZLFKBMV-YTGGZNJNSA-L,C35H60Br2N2O4,732.7,732.28993,,52.6,1000,0,0,6,6,43,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Thiazoline, 2,2,4-trimethyl-",15679-23-9,85055,"2,2,4-trimethyl-5H-1,3-thiazole",CC1=NC(SC1)(C)C,"InChI=1S/C6H11NS/c1-5-4-8-6(2,3)7-5/h4H2,1-3H3",MWCRBRYMIOQZAQ-UHFFFAOYSA-N,C6H11NS,129.23,129.0612205,1.1,37.7,126,0,0,2,0,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"3-Thiazoline, 4,5-dimethyl-2-ethyl-",76788-46-0,5362584,"2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole",CCC1N=C(C(S1)C)C,"InChI=1S/C7H13NS/c1-4-7-8-5(2)6(3)9-7/h6-7H,4H2,1-3H3",CSACPVARWHDAET-UHFFFAOYSA-N,C7H13NS,143.25,143.0768706,1.8,37.7,131,0,0,2,1,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-2-carboxylic acid, 5,5'-((2-hydroxytrimethylene)dioxy)bis(4-oxo-,disodium salt",15826-37-6,27503,disodium;5-[3-(2-carboxylato-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylate,C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)[O-])O)C(=O)C=C(O2)C(=O)[O-].[Na+].[Na+],"InChI=1S/C23H16O11.2Na/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30;;/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30);;/q;2*+1/p-2",VLARUOGDXDTHEH-UHFFFAOYSA-L,C23H14Na2O11,512.3,512.0331498,,172,824,0,1,11,6,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-1-Benzopyran-2-carboxylic acid, 5,5'-((2-hydroxy-1,3-propanediyl)bis(oxy))bis(4-oxo-,diethyl ester",16150-45-1,204318,ethyl 5-[3-(2-ethoxycarbonyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylate,CCOC(=O)C1=CC(=O)C2=C(O1)C=CC=C2OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)OCC)O,"InChI=1S/C27H24O11/c1-3-33-26(31)22-11-16(29)24-18(7-5-9-20(24)37-22)35-13-15(28)14-36-19-8-6-10-21-25(19)17(30)12-23(38-21)27(32)34-4-2/h5-12,15,28H,3-4,13-14H2,1-2H3",KRBBSLDXYDBFEC-UHFFFAOYSA-N,C27H24O11,524.5,524.1318616,3.3,144,894,0,1,11,12,38,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Sydnone imine, 3-morpholino-, monohydrochloride",16142-27-1,197942,3-morpholin-4-yloxadiazol-3-ium-5-amine chloride,C1COCCN1[N+]2=NOC(=C2)N.[Cl-],"InChI=1S/C6H11N4O2.ClH/c7-6-5-10(8-12-6)9-1-3-11-4-2-9;/h5H,1-4,7H2;1H/q+1;/p-1",ZRFWHHCXSSACAW-UHFFFAOYSA-M,C6H11ClN4O2,206.63,206.0570533,,68.4,150,0,1,6,1,13,,,0,0,0,1,0,0,1,0,0,1,0,0,1,0,0,1,0,1,0,0
"Sydnone imine, N-carboxy-3-morpholino-, ethyl ester",25717-80-0,5353788,(1E)-1-ethoxy-N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)methanimidate,CCO/C(=N/C1=C[N+](=NO1)N2CCOCC2)/[O-],"InChI=1S/C9H14N4O4/c1-2-16-9(14)10-8-7-13(11-17-8)12-3-5-15-6-4-12/h7H,2-6H2,1H3",XLFWDASMENKTKL-UHFFFAOYSA-N,C9H14N4O4,242.23,242.1015049,2.2,87,270,0,0,7,4,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamic acid, methyl-, ester with 2,2-dimethyl-7-hydroxy-3(2H)-benzofuranone",16709-30-1,27999,"(2,2-dimethyl-3-oxo-1-benzofuran-7-yl) N-methylcarbamate",CC1(C(=O)C2=C(O1)C(=CC=C2)OC(=O)NC)C,"InChI=1S/C12H13NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6H,1-3H3,(H,13,15)",WXNZYYXXILQTKX-UHFFFAOYSA-N,C12H13NO4,235.24,235.0844579,1.8,64.6,339,0,1,4,2,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3(2H)-Benzofuranone, 2-((3,4-dihydroxyphenyl)methyl)-2,6-dihydroxy-",,23556,1-benzofuran-3-one,C1C(=O)C2=CC=CC=C2O1,"InChI=1S/C8H6O2/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4H,5H2",MGKPCLNUSDGXGT-UHFFFAOYSA-N,C8H6O2,134.13,134.0367794,1.5,26.3,153,0,0,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
alpha(sup 1-24)-Corticotropin,16960-16-0,16129617,(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-amino-3-hydroxypropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid,CC(C)[C@@H](C(=O)NCC(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCC[C@H]3C(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CC8=CNC=N8)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)C(CO)N,"InChI=1S/C136H210N40O31S/c1-75(2)109(127(200)154-71-106(181)156-88(31-13-17-52-137)114(187)158-89(32-14-18-53-138)115(188)159-91(35-21-56-149-134(142)143)116(189)164-96(37-23-58-151-136(146)147)131(204)175-60-25-39-104(175)126(199)173-111(77(5)6)128(201)163-90(33-15-19-54-139)120(193)171-110(76(3)4)129(202)169-101(65-80-43-47-84(180)48-44-80)132(205)176-61-26-40-105(176)133(206)207)172-125(198)103-38-24-59-174(103)130(203)95(34-16-20-55-140)157-107(182)70-153-113(186)99(66-81-68-152-87-30-12-11-29-85(81)87)167-117(190)92(36-22-57-150-135(144)145)160-121(194)98(63-78-27-9-8-10-28-78)166-123(196)100(67-82-69-148-74-155-82)168-118(191)93(49-50-108(183)184)161-119(192)94(51-62-208-7)162-124(197)102(73-178)170-122(195)97(165-112(185)86(141)72-177)64-79-41-45-83(179)46-42-79/h8-12,27-30,41-48,68-69,74-77,86,88-105,109-111,152,177-180H,13-26,31-40,49-67,70-73,137-141H2,1-7H3,(H,148,155)(H,153,186)(H,154,200)(H,156,181)(H,157,182)(H,158,187)(H,159,188)(H,160,194)(H,161,192)(H,162,197)(H,163,201)(H,164,189)(H,165,185)(H,166,196)(H,167,190)(H,168,191)(H,169,202)(H,170,195)(H,171,193)(H,172,198)(H,173,199)(H,183,184)(H,206,207)(H4,142,143,149)(H4,144,145,150)(H4,146,147,151)/t86?,88-,89-,90+,91-,92+,93+,94+,95+,96-,97+,98+,99+,100+,101+,102+,103+,104+,105+,109+,110+,111+/m1/s1",ZOEFCCMDUURGSE-CQVUSSRSSA-N,C136H210N40O31S,2933.4,2932.583996,-7.9,1180,6500,0,42,41,96,208,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"alpha(1-24)-Corticotropin, acetate (salt)",60189-34-6,87126289,acetic acid;(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid,CC(C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCC[C@H]3C(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CC8=CNC=N8)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)[C@H](CO)N.CC(=O)O,"InChI=1S/C136H210N40O31S.C2H4O2/c1-75(2)109(127(200)154-71-106(181)156-88(31-13-17-52-137)114(187)158-89(32-14-18-53-138)115(188)159-91(35-21-56-149-134(142)143)116(189)164-96(37-23-58-151-136(146)147)131(204)175-60-25-39-104(175)126(199)173-111(77(5)6)128(201)163-90(33-15-19-54-139)120(193)171-110(76(3)4)129(202)169-101(65-80-43-47-84(180)48-44-80)132(205)176-61-26-40-105(176)133(206)207)172-125(198)103-38-24-59-174(103)130(203)95(34-16-20-55-140)157-107(182)70-153-113(186)99(66-81-68-152-87-30-12-11-29-85(81)87)167-117(190)92(36-22-57-150-135(144)145)160-121(194)98(63-78-27-9-8-10-28-78)166-123(196)100(67-82-69-148-74-155-82)168-118(191)93(49-50-108(183)184)161-119(192)94(51-62-208-7)162-124(197)102(73-178)170-122(195)97(165-112(185)86(141)72-177)64-79-41-45-83(179)46-42-79;1-2(3)4/h8-12,27-30,41-48,68-69,74-77,86,88-105,109-111,152,177-180H,13-26,31-40,49-67,70-73,137-141H2,1-7H3,(H,148,155)(H,153,186)(H,154,200)(H,156,181)(H,157,182)(H,158,187)(H,159,188)(H,160,194)(H,161,192)(H,162,197)(H,163,201)(H,164,189)(H,165,185)(H,166,196)(H,167,190)(H,168,191)(H,169,202)(H,170,195)(H,171,193)(H,172,198)(H,173,199)(H,183,184)(H,206,207)(H4,142,143,149)(H4,144,145,150)(H4,146,147,151);1H3,(H,3,4)/t86-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,109-,110-,111-;/m0./s1",XDSGCNRPXJYVQS-GLMYKROOSA-N,C138H214N40O33S,2993.5,2992.605125,,1220,6540,0,43,43,96,212,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"1H-Pyrido(4,3-b)indole, 2,3,4,4a,5,9b-hexahydro-2,8-dimethyl-",17411-19-7,65684,"2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole",CC1=CC2=C(C=C1)NC3C2CN(CC3)C,"InChI=1S/C13H18N2/c1-9-3-4-12-10(7-9)11-8-15(2)6-5-13(11)14-12/h3-4,7,11,13-14H,5-6,8H2,1-2H3",CYJQCYXRNNCURD-UHFFFAOYSA-N,C13H18N2,202.3,202.1469986,2.3,15.3,241,0,1,2,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5H-Pyrido(4,3-b)indole, 1,2,3,4,4a,9b-hexahydro-2,8-dimethyl-, dihydrochloride",33162-17-3,134973,"2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole;dihydrochloride",CC1=CC2=C(C=C1)NC3C2CN(CC3)C.Cl.Cl,"InChI=1S/C13H18N2.2ClH/c1-9-3-4-12-10(7-9)11-8-15(2)6-5-13(11)14-12;;/h3-4,7,11,13-14H,5-6,8H2,1-2H3;2*1H",XWLFAMANDIWUKH-UHFFFAOYSA-N,C13H20Cl2N2,275.21,274.100354,,15.3,241,0,3,2,0,17,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cevan-6-one, 3,20-dihydroxy-, (3-beta,5-alpha,17-beta)-",61825-98-7,442977,"(1R,2S,6S,9S,10S,11R,14S,15S,18S,20S,23R,24S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one",C[C@H]1CC[C@H]2[C@@]([C@@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4CC(=O)[C@@H]6[C@@]5(CC[C@@H](C6)O)C)(C)O,"InChI=1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21+,22-,23+,25-,26+,27-/m0/s1",IQDIERHFZVCNRZ-LRCDAWNTSA-N,C27H43NO3,429.6,429.3242942,3.9,60.8,755,0,2,4,0,31,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cevan-6-one, 3,20-dihydroxy-, (3-beta,5-alpha)-",18059-10-4,5320446,"(2S,6S,10S,15S,20S,23R)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one",C[C@H]1CCC2[C@@](C3CCC4[C@@H]5CC(=O)C6C[C@H](CC[C@@]6(C5CC4[C@@H]3CN2C1)C)O)(C)O,"InChI=1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/t15-,16-,17?,18?,19-,20-,21?,22?,23?,25?,26+,27-/m0/s1",IQDIERHFZVCNRZ-GAJVHJNZSA-N,C27H43NO3,429.6,429.3242942,3.9,60.8,755,0,2,4,0,31,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-beta-Card-20(22)-enolide, 3-beta-((O-beta-glucopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14,16-beta-dihydroxy-",19855-39-1,197988,"3-[(3S,5R,8R,9S,10S,13R,16S,17R)-3-[(2S,4S,5R,6R)-5-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-[(2R,4S,5R,6R)-5-hydroxy-6-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one",C[C@@H]1[C@H]([C@H](C[C@H](O1)O[C@@H]2[C@H](O[C@@H](C[C@@H]2O[C@@H]3C[C@@H]([C@@H]([C@H](O3)C)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5CC[C@]6([C@@H](C5)CC[C@@H]7[C@@H]6CC[C@]8(C7(C[C@@H]([C@@H]8C9=CC(=O)OC9)O)O)C)C)C)O)O,"InChI=1S/C47H74O19/c1-20-38(52)28(49)14-34(59-20)66-43-22(3)61-35(16-31(43)63-36-15-30(39(53)21(2)60-36)64-44-42(56)41(55)40(54)32(18-48)65-44)62-25-8-10-45(4)24(13-25)6-7-27-26(45)9-11-46(5)37(23-12-33(51)58-19-23)29(50)17-47(27,46)57/h12,20-22,24-32,34-44,48-50,52-57H,6-11,13-19H2,1-5H3/t20-,21-,22-,24-,25+,26+,27-,28+,29+,30+,31+,32-,34-,35-,36-,37+,38-,39-,40-,41+,42-,43-,44-,45+,46-,47?/m1/s1",XBTFSPYPZZJUIG-LAFKWZLNSA-N,C47H74O19,943.1,942.4824301,-0.1,282,1760,0,9,19,10,66,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"5-beta-Card-20(22)-enolide, 3-beta-((O-beta-D-glucopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-",19855-40-4,197989,"3-[(3S,5R,8R,9S,10S,13R,17R)-3-[(2S,4S,5R,6R)-5-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-[(2R,4S,5R,6R)-5-hydroxy-6-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one",C[C@@H]1[C@H]([C@H](C[C@H](O1)O[C@@H]2[C@H](O[C@@H](C[C@@H]2O[C@@H]3C[C@@H]([C@@H]([C@H](O3)C)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5CC[C@]6([C@@H](C5)CC[C@@H]7[C@@H]6CC[C@]8(C7(CC[C@@H]8C9=CC(=O)OC9)O)C)C)C)O)O,"InChI=1S/C47H74O18/c1-21-38(51)30(49)16-35(58-21)65-43-23(3)60-36(18-32(43)62-37-17-31(39(52)22(2)59-37)63-44-42(55)41(54)40(53)33(19-48)64-44)61-26-8-11-45(4)25(15-26)6-7-29-28(45)9-12-46(5)27(10-13-47(29,46)56)24-14-34(50)57-20-24/h14,21-23,25-33,35-44,48-49,51-56H,6-13,15-20H2,1-5H3/t21-,22-,23-,25-,26+,27-,28+,29-,30+,31+,32+,33-,35-,36-,37-,38-,39-,40-,41+,42-,43-,44-,45+,46-,47?/m1/s1",WJOCFXCSQDOQQR-MIKBVDKDSA-N,C47H74O18,927.1,926.4875155,1.2,262,1720,0,8,18,10,65,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"Morphinan-3,6,14-triol, 17-(cyclobutylmethyl)-4,5-epoxy-, (5-alpha,6-alpha)-",20594-83-6,5311304,"(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol",C1CC(C1)CN2CC[C@]34[C@@H]5[C@H](CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)O,"InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1",NETZHAKZCGBWSS-CEDHKZHLSA-N,C21H27NO4,357.4,357.1940083,0.2,73.2,597,0,3,5,2,26,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"Morphinan-3,6-alpha,14-triol, 17-(cyclobutylmethyl)-4,5-alpha-epoxy-, hydrochloride",23277-43-2,5360733,"(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol;hydrochloride",C1CC(C1)CN2CC[C@]34[C@@H]5[C@H](CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)O.Cl,"InChI=1S/C21H27NO4.ClH/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12;/h4-5,12,15-16,19,23-25H,1-3,6-11H2;1H/t15-,16+,19-,20-,21+;/m0./s1",YZLZPSJXMWGIFH-BCXQGASESA-N,C21H28ClNO4,393.9,393.1706861,,73.2,597,0,4,5,2,27,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
Saikosaponins,20874-52-6,107793,"(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[[(1S,2R,4S,5R,8R,9R,10S,13S,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]4([C@@H]3C=C[C@@]56[C@]4(C[C@H]([C@@]7([C@H]5CC(CC7)(C)C)CO6)O)C)C)C)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O,"InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1",KYWSCMDFVARMPN-LCSVLAELSA-N,C42H68O13,781,780.4659922,2.5,208,1490,0,8,13,6,55,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrano(3,2-a)carbazole, 3,11-dihydro-3,5-dimethyl-3-(4-methyl-3-pentenyl)-, (+)-",21104-28-9,167963,"3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole",CC1=CC2=C(C3=C1OC(C=C3)(C)CCC=C(C)C)NC4=CC=CC=C42,"InChI=1S/C23H25NO/c1-15(2)8-7-12-23(4)13-11-18-21-19(14-16(3)22(18)25-23)17-9-5-6-10-20(17)24-21/h5-6,8-11,13-14,24H,7,12H2,1-4H3",HTNVFUBCWIYPJN-UHFFFAOYSA-N,C23H25NO,331.4,331.1936144,6.6,25,548,0,1,1,3,25,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-Benzisoxazol-3(2H)-one",21725-69-9,210830,"1,2-benzoxazol-3-one",C1=CC=C2C(=C1)C(=O)NO2,"InChI=1S/C7H5NO2/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)",QLDQYRDCPNBPII-UHFFFAOYSA-N,C7H5NO2,135.12,135.0320284,1.1,38.3,158,0,1,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-Benzisoxazol-3(2H)-one, 6-hydroxy-",86004-57-1,5489358,"6-hydroxy-1,2-benzoxazol-3-one",C1=CC2=C(C=C1O)ONC2=O,"InChI=1S/C7H5NO3/c9-4-1-2-5-6(3-4)11-8-7(5)10/h1-3,9H,(H,8,10)",BSVWKKOEZYADMB-UHFFFAOYSA-N,C7H5NO3,151.12,151.026943,0.8,58.6,183,0,2,3,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-8-(2-hydroxyacetyl)-1-methoxy-, (8S,10S)-",24385-10-2,72401,"(7S,9S)-6,7,9,11-tetrahydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione",COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@](C[C@@H]4O)(C(=O)CO)O)C(=C3C2=O)O)O,"InChI=1S/C21H18O9/c1-30-11-4-2-3-8-14(11)20(28)16-15(17(8)25)18(26)9-5-21(29,12(24)7-22)6-10(23)13(9)19(16)27/h2-4,10,22-23,26-27,29H,5-7H2,1H3/t10-,21-/m0/s1",IBZGBXXTIGCACK-CWKPULSASA-N,C21H18O9,414.4,414.0950822,1.6,162,738,0,5,9,3,30,,,0,1,1,1,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0
"5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-1-methoxy-, (8S,10S)-",21794-55-8,83843,"(7S,9S)-9-acetyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione",CC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O)O,"InChI=1S/C21H18O8/c1-8(22)21(28)6-10-13(11(23)7-21)19(26)16-15(18(10)25)17(24)9-4-3-5-12(29-2)14(9)20(16)27/h3-5,11,23,25-26,28H,6-7H2,1-2H3/t11-,21-/m0/s1",YOFDHOWPGULAQF-MQJDWESPSA-N,C21H18O8,398.4,398.1001675,2.2,141,721,0,4,8,2,29,,,0,1,1,1,0,1,0,1,0,0,1,0,0,1,1,0,1,1,0,1
"2-Piperazinone, 3,3-dimethyl-",22476-74-0,211157,"3,3-dimethylpiperazin-2-one",CC1(C(=O)NCCN1)C,"InChI=1S/C6H12N2O/c1-6(2)5(9)7-3-4-8-6/h8H,3-4H2,1-2H3,(H,7,9)",ZBFIRYWCOIYJDA-UHFFFAOYSA-N,C6H12N2O,128.17,128.094963,-0.5,41.1,131,0,2,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Piperazinone, 4-(((E)-2-(5-chloro-2-thienyl)ethenyl)sulfonyl)-1-((1H-pyrrolo(3,2-c)pyridin-2-yl)methyl)-",,231360,piperazin-2-one,C1CNC(=O)CN1,"InChI=1S/C4H8N2O/c7-4-3-5-1-2-6-4/h5H,1-3H2,(H,6,7)",IWELDVXSEVIIGI-UHFFFAOYSA-N,C4H8N2O,100.12,100.0636629,-1.1,41.1,81,0,2,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Ethanone, 1-(4-chlorophenyl)-2-((3-(10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)methylamino)-",23047-25-8,3947,"1-(4-chlorophenyl)-2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethanone",CN(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)CC(=O)C4=CC=C(C=C4)Cl,"InChI=1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3",SAPNXPWPAUFAJU-UHFFFAOYSA-N,C26H27ClN2O,419,418.1811912,6.8,23.6,523,0,0,3,7,30,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1
"Acetophenone, 4'-chloro-2-((3-(10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)methylamino)-,hydrochloride",26786-32-3,33611,"1-(4-chlorophenyl)-2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethanone;hydrochloride",CN(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)CC(=O)C4=CC=C(C=C4)Cl.Cl,"InChI=1S/C26H27ClN2O.ClH/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29;/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3;1H",ZWZIQPOLMDPIQM-UHFFFAOYSA-N,C26H28Cl2N2O,455.4,454.1578689,,23.6,523,0,1,3,7,31,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1
"3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(3-chloro-2-hydroxypropyl)-,dichloride",23476-83-7,31937,"1-chloro-3-[12-(3-chloro-2-hydroxypropyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]propan-2-ol dichloride",C1C[N+]2(CCN1CC(CCl)O)CC[N+]3(CCN(CC3)CC(CCl)O)CC2.[Cl-].[Cl-],"InChI=1S/C18H36Cl2N4O2.2ClH/c19-13-17(25)15-21-1-5-23(6-2-21)9-11-24(12-10-23)7-3-22(4-8-24)16-18(26)14-20;;/h17-18,25-26H,1-16H2;2*1H/q+2;;/p-2",QZJPEEOEZVHUAE-UHFFFAOYSA-L,C18H36Cl4N4O2,482.3,482.156287,,46.9,389,0,2,6,6,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(3-bromo-1-oxopropyl)-,dichloride",86641-76-1,72114,"3-bromo-1-[12-(3-bromopropanoyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]propan-1-one dichloride",C1C[N+]2(CCN1C(=O)CCBr)CC[N+]3(CCN(CC3)C(=O)CCBr)CC2.[Cl-].[Cl-],InChI=1S/C18H32Br2N4O2.2ClH/c19-3-1-17(25)21-5-9-23(10-6-21)13-15-24(16-14-23)11-7-22(8-12-24)18(26)2-4-20;;/h1-16H2;2*1H/q+2;;/p-2,CURYRIVJTBNEGU-UHFFFAOYSA-L,C18H32Br2Cl2N4O2,567.2,566.02486,,40.6,457,0,0,4,4,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4(3H)-Quinazolinone, 3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-, (2S-trans)-",24159-07-7,115723,3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]quinazolin-4-one,C1CC(C(NC1)CC(=O)CN2C=NC3=CC=CC=C3C2=O)O,"InChI=1S/C16H19N3O3/c20-11(8-14-15(21)6-3-7-17-14)9-19-10-18-13-5-2-1-4-12(13)16(19)22/h1-2,4-5,10,14-15,17,21H,3,6-9H2",FWVHWDSCPKXMDB-UHFFFAOYSA-N,C16H19N3O3,301.34,301.1426415,0.1,82,466,0,2,5,4,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4(3H)-Quinazolinone, 7-bromo-6-chloro-3-(3-((2R,3S)-3-hydroxy-2-piperidinyl)-2-oxopropyl)-, monohydrobromide, rel-",64924-67-0,11591339,"7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;hydrobromide",C1C[C@@H]([C@H](NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O.Br,"InChI=1S/C16H17BrClN3O3.BrH/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14;/h5-6,8,14-15,19,23H,1-4,7H2;1H/t14-,15+;/m1./s1",SJUWEPZBTXEUMU-LIOBNPLQSA-N,C16H18Br2ClN3O3,495.6,494.93829,,82,533,0,3,5,4,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-(2-(3-methyl-2-thienyl)vinyl)-, (E)-,tartrate (1:1)",26155-31-7,6433951,"(2R,3R)-2,3-dihydroxybutanedioic acid;1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine",CC1=C(SC=C1)/C=C/C2=NCCCN2C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C12H16N2S.C4H6O6/c1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2;5-1(3(7)8)2(6)4(9)10/h4-6,9H,3,7-8H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/b5-4+;/t;1-,2-/m.1/s1",GGXQONWGCAQGNA-UUSVNAAPSA-N,C16H22N2O6S,370.4,370.1198576,,159,407,0,4,8,5,25,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Piperidinamine, 1-(6-chloro-2-pyridinyl)-, monohydrochloride",77145-61-0,131746,1-(6-chloro-2-pyridinyl)piperidin-4-amine;hydrochloride,C1CN(CCC1N)C2=NC(=CC=C2)Cl.Cl,"InChI=1S/C10H14ClN3.ClH/c11-9-2-1-3-10(13-9)14-6-4-8(12)5-7-14;/h1-3,8H,4-7,12H2;1H",FUMINTAAUJUVMP-UHFFFAOYSA-N,C10H15Cl2N3,248.15,247.0643029,,42.2,180,0,2,3,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, N-(1-(2-(1H-indol-3-yl)ethyl)-4-piperidinyl)-, monohydrochloride",38821-52-2,38102,N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzamide;hydrochloride,C1CN(CCC1NC(=O)C2=CC=CC=C2)CCC3=CNC4=CC=CC=C43.Cl,"InChI=1S/C22H25N3O.ClH/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21;/h1-9,16,19,23H,10-15H2,(H,24,26);1H",AFJSFHAKSSWOKG-UHFFFAOYSA-N,C22H26ClN3O,383.9,383.1764402,,48.1,454,0,3,2,5,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, N-(1-(2-(1H-indol-3-yl)ethyl)-4-piperidinyl)-",26844-12-2,33625,N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzamide,C1CN(CCC1NC(=O)C2=CC=CC=C2)CCC3=CNC4=CC=CC=C43,"InChI=1S/C22H25N3O/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21/h1-9,16,19,23H,10-15H2,(H,24,26)",JXZZEXZZKAWDSP-UHFFFAOYSA-N,C22H25N3O,347.5,347.1997624,4.1,48.1,454,0,2,2,5,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, N-benzyl-2-chloro-2-phenyl-",27946-19-6,147187,N-benzyl-2-chloro-2-phenylacetamide,C1=CC=C(C=C1)CNC(=O)C(C2=CC=CC=C2)Cl,"InChI=1S/C15H14ClNO/c16-14(13-9-5-2-6-10-13)15(18)17-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,18)",PPKWFXHUJIGMNJ-UHFFFAOYSA-N,C15H14ClNO,259.73,259.0763918,3.4,29.1,257,0,1,1,4,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Furancarboxanilide, 2,5-dimethyl-",28562-70-1,34281,"2,5-dimethyl-N-phenylfuran-3-carboxamide",CC1=CC(=C(O1)C)C(=O)NC2=CC=CC=C2,"InChI=1S/C13H13NO2/c1-9-8-12(10(2)16-9)13(15)14-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15)",XEPBBUCQCXXTGR-UHFFFAOYSA-N,C13H13NO2,215.25,215.0946287,2.6,42.2,248,0,1,2,2,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2(1H)-Pyridinone, 6-cyclohexyl-1-hydroxy-4-methyl-, compd. with 2-aminoethanol (1:1)",41621-49-2,38911,2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one,CC1=CC(=O)N(C(=C1)C2CCCCC2)O.C(CO)N,"InChI=1S/C12H17NO2.C2H7NO/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10;3-1-2-4/h7-8,10,15H,2-6H2,1H3;4H,1-3H2",MBRHNTMUYWQHMR-UHFFFAOYSA-N,C14H24N2O3,268.35,268.1786926,,86.8,335,0,3,4,2,19,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-11(1H)-one, 2,3,6a,9a-tetrahydro-1-hydroxy-4-methoxy-",29611-03-8,104744,"(3S,7R,16S)-16-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaen-18-one",COC1=C2C3=C([C@H](CC3)O)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1,"InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8-9,17-18H,2-3H2,1H3/t8-,9-,17+/m0/s1",WYIWLDSPNDMZIT-IRWWLHRVSA-N,C17H14O6,314.29,314.0790382,1.2,74.2,610,0,1,6,1,23,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-11(1H)-one, 2,3,6a,9a-tetrahydro-1-hydroxy-4-methoxy-, (1R-(1-alpha,6a-alpha,9a-alpha))-",61740-00-9,151740,"(3S,7R,16R)-16-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaen-18-one",COC1=C2C3=C([C@@H](CC3)O)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1,"InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8-9,17-18H,2-3H2,1H3/t8-,9+,17+/m0/s1",WYIWLDSPNDMZIT-MRAOVIAESA-N,C17H14O6,314.29,314.0790382,1.2,74.2,610,0,1,6,1,23,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Hydratropic acid, p-(1-oxo-2-isoindolinyl)-",31842-01-0,3718,2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid,CC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)O,"InChI=1S/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21)",RJMIEHBSYVWVIN-UHFFFAOYSA-N,C17H15NO3,281.3,281.1051933,2.8,57.6,414,0,1,3,3,21,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butyric acid, 2-(p-(1-oxo-2-isoindolinyl)phenyl)-, (+-)-",63610-08-2,107641,2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]butanoic acid,CCC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)O,"InChI=1S/C18H17NO3/c1-2-15(18(21)22)12-7-9-14(10-8-12)19-11-13-5-3-4-6-16(13)17(19)20/h3-10,15H,2,11H2,1H3,(H,21,22)",AYDXAULLCROVIT-UHFFFAOYSA-N,C18H17NO3,295.3,295.1208434,3.1,57.6,428,0,1,3,4,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,3-Trithian-5-amine, N,N-dimethyl-",31895-21-3,35970,"N,N-dimethyltrithian-5-amine",CN(C)C1CSSSC1,"InChI=1S/C5H11NS3/c1-6(2)5-3-7-9-8-4-5/h5H,3-4H2,1-2H3",DNVLJEWNNDHELH-UHFFFAOYSA-N,C5H11NS3,181.4,181.0053629,1.2,79.1,80,0,0,4,1,9,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1
"4-Thiazoleacetic acid, 2-(2-pyridyl)-",34272-68-9,214802,"2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetic acid",C1=CC=NC(=C1)C2=NC(=CS2)CC(=O)O,"InChI=1S/C10H8N2O2S/c13-9(14)5-7-6-15-10(12-7)8-3-1-2-4-11-8/h1-4,6H,5H2,(H,13,14)",GVNODPPFELQGRH-UHFFFAOYSA-N,C10H8N2O2S,220.25,220.0306487,1.1,91.3,237,0,1,5,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Thiazolecarboxylic acid, 4-methyl-2-(2-pyridyl)-",34418-48-9,214841,"4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid",CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)O,"InChI=1S/C10H8N2O2S/c1-6-8(10(13)14)15-9(12-6)7-4-2-3-5-11-7/h2-5H,1H3,(H,13,14)",QFDHWPOPCNNAOI-UHFFFAOYSA-N,C10H8N2O2S,220.25,220.0306487,1.8,91.3,250,0,1,5,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"D-Streptamine, O-2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4)-O-(beta-D-xylofuranosyl-(1-5))-N(sup 1)-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-",34291-02-6,12302171,"(2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide",C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O)O[C@H]2[C@@H]([C@H]([C@H](O2)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N,"InChI=1S/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8-,9+,10+,11+,12-,13+,14-,15+,16+,17+,18+,20+,21-/m0/s1",XEQLFNPSYWZPOW-SVRMBHBBSA-N,C21H41N5O12,555.6,555.2751718,-7.3,312,772,0,12,16,10,38,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Streptamine, O-2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4)-O-(beta-D-ribofuranosyl-(1-5))-2-deoxy-, sulfate",53797-35-6,656837,"(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol;sulfuric acid",C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N.OS(=O)(=O)O,"InChI=1S/C17H34N4O10.H2O4S/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17;1-5(2,3)4/h4-17,22-27H,1-3,18-21H2;(H2,1,2,3,4)/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+;/m1./s1",RTCDDYYZMGGHOE-YMSVYGIHSA-N,C17H36N4O14S,552.6,552.194873,,345,674,0,12,18,6,36,,,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"10H-Benzo(4,5)cyclohepta(1,2-b)thiophen-10-one, 4,9-dihydro-4-(1-methyl-4-piperidinylidene)-",34580-13-7,3827,"2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one",CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1,"InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3",ZCVMWBYGMWKGHF-UHFFFAOYSA-N,C19H19NOS,309.4,309.1187354,3.2,48.6,476,0,0,3,0,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Thieno(2,3-d)pyrimidin-4(3H)-one, 3-amino-2-methyl-5-phenyl-",43088-51-3,206184,"3-amino-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one",CC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1N,"InChI=1S/C13H11N3OS/c1-8-15-12-11(13(17)16(8)14)10(7-18-12)9-5-3-2-4-6-9/h2-7H,14H2,1H3",BXOLEYZBXKQEQN-UHFFFAOYSA-N,C13H11N3OS,257.31,257.0622832,1.8,86.9,378,0,1,4,1,18,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-2-Benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10-octahydro-7,14,16-trihydroxy-3-methyl-, (3S,7R,11E)-",36455-72-8,5284645,"(4S,8R,12E)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one",C[C@H]1CCC[C@@H](CCC/C=C/C2=C(C(=CC(=C2)O)O)C(=O)O1)O,"InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14+/m0/s1",FPQFYIAXQDXNOR-QDKLYSGJSA-N,C18H24O5,320.4,320.1623739,4,87,408,0,3,5,0,23,,,0,0,0,1,0,1,0,1,0,0,0,0,0,1,0,0,1,0,1,0
"1H-2-Benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10-octahydro-7,14,16-trihydroxy-3-methyl-, (3S,7S,11E)-",71030-11-0,6437352,"(4S,8S,12E)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one",C[C@H]1CCC[C@H](CCC/C=C/C2=C(C(=CC(=C2)O)O)C(=O)O1)O,"InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14-/m0/s1",FPQFYIAXQDXNOR-PMRAARRBSA-N,C18H24O5,320.4,320.1623739,4,87,408,0,3,5,0,23,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, 4-amino-N-cyclopropyl-",38681-77-5,38082,4-amino-N-cyclopropylbenzamide,C1CC1NC(=O)C2=CC=C(C=C2)N,"InChI=1S/C10H12N2O/c11-8-3-1-7(2-4-8)10(13)12-9-5-6-9/h1-4,9H,5-6,11H2,(H,12,13)",TZPIKGCQLFRHGR-UHFFFAOYSA-N,C10H12N2O,176.21,176.094963,1.1,55.1,193,0,2,2,2,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, 4-amino-N-cyclopropyl-3,5-dichloro-",60676-83-7,43397,"4-amino-3,5-dichloro-N-cyclopropylbenzamide",C1CC1NC(=O)C2=CC(=C(C(=C2)Cl)N)Cl,"InChI=1S/C10H10Cl2N2O/c11-7-3-5(4-8(12)9(7)13)10(15)14-6-1-2-6/h3-4,6H,1-2,13H2,(H,14,15)",ZOEINVZGXJXJIR-UHFFFAOYSA-N,C10H10Cl2N2O,245.1,244.0170183,2.3,55.1,246,0,2,2,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"(1,6)Dioxacyclododecino(2,3,4-gh)pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-6-methyl-5-methylene-, 12-oxide, (3Z,6R,14aR,14bR)-",38710-26-8,13258912,"(1R,4Z,7R,17R)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione",C/C=C\1/CC(=C)[C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(C)O,"InChI=1S/C18H23NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15-,18-,19?/m1/s1",COHUFMBRBUPZPA-TUSLHEEYSA-N,C18H23NO6,349.4,349.1525375,0.1,90.9,696,0,1,6,0,25,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"(1,6)Dioxacyclododecino(2,3,4-gh)pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-6-(hydroxymethyl)-5-methylene-, 4-oxide, (3Z,6S,14aR,14bR)-",75056-11-0,6440301,"(1R,4Z,7S,17R)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methylidene-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione",C/C=C\1/CC(=C)[C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(CO)O,"InChI=1S/C18H23NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,14-15,20,23H,2,5-10H2,1H3/b12-3-/t14-,15-,18-,19?/m1/s1",NPENPMDVCQGSSO-AHPXGCJSSA-N,C18H23NO7,365.4,365.1474521,-0.4,111,712,0,2,7,1,26,,,0,0,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-",40106-31-8,218061,"8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one",C1CCC2=C(CC1)SC3=C2C(=O)NC=N3,"InChI=1S/C11H12N2OS/c14-10-9-7-4-2-1-3-5-8(7)15-11(9)13-6-12-10/h6H,1-5H2,(H,12,13,14)",SMKVVKXYWCYSDN-UHFFFAOYSA-N,C11H12N2OS,220.29,220.0670342,2.5,69.7,305,0,1,3,0,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 3,5,6,7,8,9-hexahydro-3-amino-2-methyl-",120354-22-5,2168926,"4-amino-5-methyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one",CC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1N,"InChI=1S/C12H15N3OS/c1-7-14-11-10(12(16)15(7)13)8-5-3-2-4-6-9(8)17-11/h2-6,13H2,1H3",UXBLDQMSOWQULB-UHFFFAOYSA-N,C12H15N3OS,249.33,249.0935833,1.9,86.9,371,0,1,4,0,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Picolinic acid, (2,6-dichlorobenzylidene)hydrazide",42596-07-6,6893676,"N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridine-3-carboxamide",C1=CC(=C(C(=C1)Cl)/C=N/NC(=O)C2=CN=CC=C2)Cl,"InChI=1S/C13H9Cl2N3O/c14-11-4-1-5-12(15)10(11)8-17-18-13(19)9-3-2-6-16-7-9/h1-8H,(H,18,19)/b17-8+",YZROOBOULNTKGW-CAOOACKPSA-N,C13H9Cl2N3O,294.13,293.0122673,3,54.4,328,0,1,3,3,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyridinecarboxylic acid, ((2-chlorophenyl)methylene)hydrazide, (E)-",133661-78-6,6862672,N-[(E)-(2-chlorophenyl)methylideneamino]pyridine-3-carboxamide,C1=CC=C(C(=C1)/C=N/NC(=O)C2=CN=CC=C2)Cl,"InChI=1S/C13H10ClN3O/c14-12-6-2-1-4-10(12)9-16-17-13(18)11-5-3-7-15-8-11/h1-9H,(H,17,18)/b16-9+",YJWAPOQYJZJMGO-CXUHLZMHSA-N,C13H10ClN3O,259.69,259.0512396,2.4,54.4,309,0,1,3,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperidinium, 1-(3-alpha-acetoxy-17-beta-hydroxy-2-beta-piperidino-5-alpha-androstan-16-beta-yl)-1-methyl-, bromide",50587-95-6,14029405,"[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-hydroxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate bromide",CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CCCCC4)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5O)[N+]6(CCCCC6)C)C.[Br-],"InChI=1S/C32H55N2O3.BrH/c1-22(35)37-29-19-23-11-12-24-25(32(23,3)21-27(29)33-15-7-5-8-16-33)13-14-31(2)26(24)20-28(30(31)36)34(4)17-9-6-10-18-34;/h23-30,36H,5-21H2,1-4H3;1H/q+1;/p-1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-;/m0./s1",XPLMFSDSQRHLDG-FMCCZJBLSA-M,C32H55BrN2O3,595.7,594.33961,,49.8,851,0,1,5,4,38,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"2-Pyrazinecarboxylic acid, 5-methyl-, 4-oxide",51037-30-0,5310993,5-methyl-4-oxidopyrazin-4-ium-2-carboxylic acid,CC1=CN=C(C=[N+]1[O-])C(=O)O,"InChI=1S/C6H6N2O3/c1-4-2-7-5(6(9)10)3-8(4)11/h2-3H,1H3,(H,9,10)",DJQOOSBJCLSSEY-UHFFFAOYSA-N,C6H6N2O3,154.12,154.0378421,-1,75.7,162,0,1,4,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrazine, 2-methoxymethyl-5-methyl-, 4-oxide",83056-59-1,3068148,5-(methoxymethyl)-2-methyl-1-oxidopyrazin-1-ium,CC1=CN=C(C=[N+]1[O-])COC,"InChI=1S/C7H10N2O2/c1-6-3-8-7(5-11-2)4-9(6)10/h3-4H,5H2,1-2H3",KKKHJYGCTVKQEM-UHFFFAOYSA-N,C7H10N2O2,154.17,154.0742276,-1.1,47.6,121,0,0,3,2,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3,4-dimethoxyphenyl)ethenyl)-7-methyl-,(E)-",155270-99-8,5311037,"8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione",CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=CC(=C(C=C3)OC)OC)C,"InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+",IQVRBWUUXZMOPW-PKNBQFBNSA-N,C20H24N4O4,384.4,384.1797553,2.5,76.9,613,0,0,5,6,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Quinolinemethanol, 2,8-bis(trifluoromethyl)-alpha-2-piperidinyl-, monohydrochloride,(R*,S*)-, (+-)-",51773-92-3,65329,"(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrochloride",C1CCN[C@H](C1)[C@H](C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O.Cl,"InChI=1S/C17H16F6N2O.ClH/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11;/h3-5,8,12,15,24,26H,1-2,6-7H2;1H/t12-,15+;/m1./s1",WESWYMRNZNDGBX-YLCXCWDSSA-N,C17H17ClF6N2O,414.8,414.0933598,,45.2,483,0,3,9,2,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Quinolinemethanol, alpha-2-piperidinyl-2,8-bis(trifluoromethyl)-, (R*,S*)-(+-)-",53230-10-7,4046,"[2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol",C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O,"InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2",XEEQGYMUWCZPDN-UHFFFAOYSA-N,C17H16F6N2O,378.31,378.1166821,3.6,45.2,483,0,2,9,2,26,,415.7±40.0 °C,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"L-Phenylalanine, L-seryl-L-valyl-L-seryl-L-alpha-glutamyl-L-isoleucyl-L-glutaminyl-L-leucy-L-methionyl-L-histidyl-L-asparaginyl-L-leucylglycyl-L-lysyl-L-histidyl-L-leucyl-L-asparaginyl-L-seryl-L-methionyl-L-alpha-glutamyl-L-tryptophyl-L-leucyl-L-arginyl-L-lysyl-L-lysyl-L-leucyl-L-glutaminyl-L-alpha-aspartyl-L-valyl-L-histidyl-L-asparaginyl-, acetate (salt), hydrate",99294-94-7,118984441,"acetic acid;(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-oxopentanoic acid;hydrate",CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC5=CNC=N5)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)N.CC(=O)O.O,"InChI=1S/C181H291N55O51S2.C2H4O2.H2O/c1-21-96(18)146(236-160(267)114(48-53-141(250)251)212-174(281)132(84-239)232-177(284)143(93(12)13)233-147(254)103(185)82-237)178(285)216-111(45-50-134(187)241)155(262)219-119(65-90(6)7)163(270)213-116(55-62-289-20)158(265)224-124(71-100-79-196-86-203-100)167(274)226-126(73-135(188)242)169(276)217-117(63-88(2)3)148(255)201-81-138(245)205-105(39-27-30-56-182)149(256)223-123(70-99-78-195-85-202-99)166(273)221-121(67-92(10)11)164(271)225-128(75-137(190)244)171(278)231-131(83-238)173(280)214-115(54-61-288-19)157(264)210-112(46-51-139(246)247)153(260)208-109(43-34-60-199-181(193)194)159(266)234-144(94(14)15)175(282)215-113(47-52-140(248)249)156(263)222-122(69-98-77-200-104-38-26-25-37-102(98)104)165(272)220-120(66-91(8)9)161(268)209-108(42-33-59-198-180(191)192)151(258)206-106(40-28-31-57-183)150(257)207-107(41-29-32-58-184)152(259)218-118(64-89(4)5)162(269)211-110(44-49-133(186)240)154(261)228-129(76-142(252)253)172(279)235-145(95(16)17)176(283)229-125(72-101-80-197-87-204-101)168(275)227-127(74-136(189)243)170(277)230-130(179(286)287)68-97-35-23-22-24-36-97;1-2(3)4;/h22-26,35-38,77-80,85-96,103,105-132,143-146,200,237-239H,21,27-34,39-76,81-84,182-185H2,1-20H3,(H2,186,240)(H2,187,241)(H2,188,242)(H2,189,243)(H2,190,244)(H,195,202)(H,196,203)(H,197,204)(H,201,255)(H,205,245)(H,206,258)(H,207,257)(H,208,260)(H,209,268)(H,210,264)(H,211,269)(H,212,281)(H,213,270)(H,214,280)(H,215,282)(H,216,285)(H,217,276)(H,218,259)(H,219,262)(H,220,272)(H,221,273)(H,222,263)(H,223,256)(H,224,265)(H,225,271)(H,226,274)(H,227,275)(H,228,261)(H,229,283)(H,230,277)(H,231,278)(H,232,284)(H,233,254)(H,234,266)(H,235,279)(H,236,267)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,286,287)(H4,191,192,198)(H4,193,194,199);1H3,(H,3,4);1H2/t96-,103-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,143-,144-,145-,146-;;/m0../s1",QCVZCKSPTMFSSY-ILQTYVRSSA-N,C183H297N55O54S2,4196,4194.165991,,1840,9780,0,62,65,146,294,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"L-Phenylalanine, L-seryl-L-valyl-L-seryl-L-alpha-glutamyl-L-isoleucyl-L-glutaminyl-L-leucyl-L-methionyl-L-histidyl-L-asparaginyl-L-leucylglycyl-L-lysyl-L-histidyl-L-leucyl-L-asparaginyl-L-seryl-L-methionyl-L-alpha-glutamyl-L-arginyl-L-valyl-L-alpha-glutamyl-L-tryptophyl-L-leucyl-L-arginyl-L-lysyl-L-lysyl-L-leucyl-L-glutaminyl-L-alpha-aspartyl-L-valyl-L-histidyl-L-asparaginyl-",52232-67-4,16133850,"(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-oxopentanoic acid",CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC5=CNC=N5)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)N,"InChI=1S/C181H291N55O51S2/c1-21-96(18)146(236-160(267)114(48-53-141(250)251)212-174(281)132(84-239)232-177(284)143(93(12)13)233-147(254)103(185)82-237)178(285)216-111(45-50-134(187)241)155(262)219-119(65-90(6)7)163(270)213-116(55-62-289-20)158(265)224-124(71-100-79-196-86-203-100)167(274)226-126(73-135(188)242)169(276)217-117(63-88(2)3)148(255)201-81-138(245)205-105(39-27-30-56-182)149(256)223-123(70-99-78-195-85-202-99)166(273)221-121(67-92(10)11)164(271)225-128(75-137(190)244)171(278)231-131(83-238)173(280)214-115(54-61-288-19)157(264)210-112(46-51-139(246)247)153(260)208-109(43-34-60-199-181(193)194)159(266)234-144(94(14)15)175(282)215-113(47-52-140(248)249)156(263)222-122(69-98-77-200-104-38-26-25-37-102(98)104)165(272)220-120(66-91(8)9)161(268)209-108(42-33-59-198-180(191)192)151(258)206-106(40-28-31-57-183)150(257)207-107(41-29-32-58-184)152(259)218-118(64-89(4)5)162(269)211-110(44-49-133(186)240)154(261)228-129(76-142(252)253)172(279)235-145(95(16)17)176(283)229-125(72-101-80-197-87-204-101)168(275)227-127(74-136(189)243)170(277)230-130(179(286)287)68-97-35-23-22-24-36-97/h22-26,35-38,77-80,85-96,103,105-132,143-146,200,237-239H,21,27-34,39-76,81-84,182-185H2,1-20H3,(H2,186,240)(H2,187,241)(H2,188,242)(H2,189,243)(H2,190,244)(H,195,202)(H,196,203)(H,197,204)(H,201,255)(H,205,245)(H,206,258)(H,207,257)(H,208,260)(H,209,268)(H,210,264)(H,211,269)(H,212,281)(H,213,270)(H,214,280)(H,215,282)(H,216,285)(H,217,276)(H,218,259)(H,219,262)(H,220,272)(H,221,273)(H,222,263)(H,223,256)(H,224,265)(H,225,271)(H,226,274)(H,227,275)(H,228,261)(H,229,283)(H,230,277)(H,231,278)(H,232,284)(H,233,254)(H,234,266)(H,235,279)(H,236,267)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,286,287)(H4,191,192,198)(H4,193,194,199)/t96-,103-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,143-,144-,145-,146-/m0/s1",OGBMKVWORPGQRR-UMXFMPSGSA-N,C181H291N55O51S2,4118,4116.134297,-18.7,1800,9740,0,60,62,146,289,,,0,0,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"beta-D-Glucopyranoside, (3-beta,6-alpha,12-beta)-3,12,20-trihydroxydammar-24-en-6-yl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-",52286-74-5,21599924,"(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol",C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3C[C@@]4([C@H](C[C@H]([C@H]5[C@]4(CC[C@@H]5[C@](C)(CCC=C(C)C)O)C)O)[C@@]6([C@@H]3C([C@H](CC6)O)(C)C)C)C)CO)O)O)O)O)O,"InChI=1S/C42H72O13/c1-20(2)11-10-14-42(9,51)22-12-16-40(7)28(22)23(44)17-26-39(6)15-13-27(45)38(4,5)35(39)24(18-41(26,40)8)53-37-34(32(49)30(47)25(19-43)54-37)55-36-33(50)31(48)29(46)21(3)52-36/h11,21-37,43-51H,10,12-19H2,1-9H3/t21-,22-,23+,24-,25+,26+,27-,28-,29-,30+,31+,32-,33+,34+,35-,36-,37+,39+,40+,41+,42-/m0/s1",AGBCLJAHARWNLA-DQUQINEDSA-N,C42H72O13,785,784.4972924,3.2,219,1390,0,9,13,9,55,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-Isothiazolamine, 3-methyl-, monohydrochloride",52547-00-9,2723918,"3-methyl-1,2-thiazol-5-amine;hydrochloride",CC1=NSC(=C1)N.Cl,"InChI=1S/C4H6N2S.ClH/c1-3-2-4(5)7-6-3;/h2H,5H2,1H3;1H",ZRTGHKVPFXNDHE-UHFFFAOYSA-N,C4H7ClN2S,150.63,150.0018471,,67.2,66,0,2,3,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Isothiazoleacetic acid, alpha-amino-3-hydroxy-",,20389339,"2-(1,2-thiazol-5-yl)acetic acid",C1=C(SN=C1)CC(=O)O,"InChI=1S/C5H5NO2S/c7-5(8)3-4-1-2-6-9-4/h1-2H,3H2,(H,7,8)",ZLQPJCLOAXMYLL-UHFFFAOYSA-N,C5H5NO2S,143.17,143.0040996,0.5,78.4,118,0,1,4,2,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Oxazolidinethione, 4,4-dimethyl-",54013-55-7,2778975,"4,4-dimethyl-1,3-oxazolidine-2-thione",CC1(COC(=S)N1)C,"InChI=1S/C5H9NOS/c1-5(2)3-7-4(8)6-5/h3H2,1-2H3,(H,6,8)",VIMMIOUDVZQBAK-UHFFFAOYSA-N,C5H9NOS,131.2,131.0404851,0.9,53.4,122,0,1,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Oxazolidinethione, 3-(4-(cyclohexylmethoxy)phenyl)-5-(methoxymethyl)-",73421-65-5,2733223,"1,3-oxazolidine-2-thione",C1COC(=S)N1,"InChI=1S/C3H5NOS/c6-3-4-1-2-5-3/h1-2H2,(H,4,6)",UMURLIQHQSKULR-UHFFFAOYSA-N,C3H5NOS,103.15,103.009185,0.3,53.4,73,0,1,2,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Proline, 4,5-dihydroxy-N(sup 2)-(1-oxohexadecyl)ornithylthreonyl-4-hydroxyprolyl-4-hydroxy-4-(4-hydroxy-3-(sulfooxy)phenyl)threonyl-3-hydroxyglutaminyl-3-hydroxy-4-methyl-,cyclic (6-1)-peptide",160335-87-5,461347,"[5-[2-[3-(3-amino-1-hydroxy-3-oxopropyl)-18-(hexadecanoylamino)-11,20,21,25-tetrahydroxy-15-(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-1,2-dihydroxyethyl]-2-hydroxyphenyl] hydrogen sulfate",CCCCCCCCCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(C(CN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC(=C(C=C4)O)OS(=O)(=O)O)O)O)C(CC(=O)N)O)C)O)O)O,"InChI=1S/C51H82N8O21S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-37(66)53-30-22-34(64)47(72)57-49(74)41-42(67)26(2)24-59(41)51(76)39(33(63)23-36(52)65)55-48(73)40(44(69)43(68)28-18-19-32(62)35(20-28)80-81(77,78)79)56-46(71)31-21-29(61)25-58(31)50(75)38(27(3)60)54-45(30)70/h18-20,26-27,29-31,33-34,38-44,47,60-64,67-69,72H,4-17,21-25H2,1-3H3,(H2,52,65)(H,53,66)(H,54,70)(H,55,73)(H,56,71)(H,57,74)(H,77,78,79)",KAPLTEIQCKDUAT-UHFFFAOYSA-N,C51H82N8O21S,1175.3,1174.531523,0.5,483,2230,0,16,21,24,81,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Morphinan-3,14-diol, 17-(cyclopropylmethyl)-4,5-epoxy-6-methylene-, (5-alpha)-",55096-26-9,5284594,"(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol",C=C1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)O,"InChI=1S/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19+,20+,21-/m1/s1",WJBLNOPPDWQMCH-MBPVOVBZSA-N,C21H25NO3,339.4,339.1834437,2.7,52.9,618,0,2,4,2,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Morphinan-3,14-diol, 17-(cyclopropylmethyl)-4,5-epoxy-6-methylene-, hydrochloride, (5-alpha)-",58895-64-0,5388881,"(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol;hydrochloride",C=C1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)O.Cl,"InChI=1S/C21H25NO3.ClH/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13;/h4-5,13,16,19,23-24H,1-3,6-11H2;1H/t16-,19+,20+,21-;/m1./s1",GYWMRGWFQPSQLK-OPHZJPRHSA-N,C21H26ClNO3,375.9,375.1601214,,52.9,618,0,3,4,2,26,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Salicylamide, N-(5-nitro-2-thiazolyl)-, acetate (ester)",55981-09-4,41684,"[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate",CC(=O)OC1=CC=CC=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-],"InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)",YQNQNVDNTFHQSW-UHFFFAOYSA-N,C12H9N3O5S,307.28,307.0262916,2,142,428,0,1,7,4,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Oxabicyclo(2.2.1)heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, (1R,2E)-3-(4-(2-(dimethylamino)ethoxy)phenyl)-1-methyl-2,3-diphenyl-2-propenyl ester, (1S,4R)-",,91196346,2-oxabicyclo[2.2.1]heptane-1-carboxylic acid,C1CC2(CC1CO2)C(=O)O,"InChI=1S/C7H10O3/c8-6(9)7-2-1-5(3-7)4-10-7/h5H,1-4H2,(H,8,9)",KENMFOIQIMXSJA-UHFFFAOYSA-N,C7H10O3,142.15,142.0629942,0.4,46.5,178,0,1,3,1,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Heptenoic acid, 7-(6-(3-hydroxy-1-octenyl)-2-oxabicyclo(2.2.1)hept-5-yl)-, (1R-(1-alpha,4-alpha,5-beta(Z),6-alpha(1E,3S*)))-",56985-40-1,5311493,"(Z)-7-[(1R,4S,5S,6R)-6-[(E,3S)-3-hydroxyoct-1-enyl]-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid",CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)CO2)O,"InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19-,20-/m1/s1",LQANGKSBLPMBTJ-BRSNVKEHSA-N,C21H34O4,350.5,350.2457096,3.9,66.8,457,0,2,4,12,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzeneacetic acid, 4-hydroxy-3-methoxy-, (3a,3b,6,6a,9a,10,11,11a-octahydro-6a-hydroxy-8,10-dimethyl-11a-(1-methylethenyl)-7-oxo-2-(phenylmethyl)-7H-2,9b-epoxyazuleno(5,4-e)-1,3-benzodioxol-5-yl)methyl ester, (2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-",57444-62-9,5702546,"[(1R,2R,6R,10S,11R,13S,15R,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-3-methoxyphenyl)acetate",C[C@@H]1C[C@]2([C@H]3[C@H]4[C@]1([C@@H]5C=C(C(=O)[C@]5(CC(=C4)COC(=O)CC6=CC(=C(C=C6)O)OC)O)C)O[C@](O3)(O2)CC7=CC=CC=C7)C(=C)C,"InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36-,37-/m1/s1",DSDNAKHZNJAGHN-MXTYGGKSSA-N,C37H40O9,628.7,628.2672329,4.5,121,1330,0,2,9,9,46,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Imidazo(2,1-b)quinazolin-2(3H)-one, 6,7-dichloro-1,5-dihydro-, monohydrochloride",58579-51-4,135413494,"6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrochloride",C1C2=C(C=CC(=C2Cl)Cl)N=C3N1CC(=O)N3.Cl,"InChI=1S/C10H7Cl2N3O.ClH/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7;/h1-2H,3-4H2,(H,13,14,16);1H",TVWRQCIPWUCNMI-UHFFFAOYSA-N,C10H8Cl3N3O,292.5,290.973295,,44.7,360,0,2,2,0,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"Imidazo(2,1-b)quinazolin-2(3H)-one, 6,7-dichloro-1,5-dihydro-",68475-42-3,135409400,"6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one",C1C2=C(C=CC(=C2Cl)Cl)N=C3N1CC(=O)N3,"InChI=1S/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2H,3-4H2,(H,13,14,16)",OTBXOEAOVRKTNQ-UHFFFAOYSA-N,C10H7Cl2N3O,256.08,254.9966172,1.6,44.7,360,0,1,2,0,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"2,3-Piperazinedione, 1-methyl-",59702-29-3,3042433,"1-methylpiperazine-2,3-dione",CN1CCNC(=O)C1=O,"InChI=1S/C5H8N2O2/c1-7-3-2-6-4(8)5(7)9/h2-3H2,1H3,(H,6,8)",WXKVEQXAOQPAKO-UHFFFAOYSA-N,C5H8N2O2,128.13,128.0585775,-0.8,49.4,155,0,1,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(3,4'-Bipyridin)-6(1H)-one, 5-amino-",60719-84-8,3698,3-amino-5-pyridin-4-yl-1H-pyridin-2-one,C1=CN=CC=C1C2=CNC(=O)C(=C2)N,"InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)",RNLQIBCLLYYYFJ-UHFFFAOYSA-N,C10H9N3O,187.2,187.0745619,-0.2,68,300,0,2,3,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(3,4'-Bipyridine)-5-carbonitrile, 1,6-dihydro-2-methyl-6-oxo-",78415-72-2,4197,6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile,CC1=C(C=C(C(=O)N1)C#N)C2=CC=NC=C2,"InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)",PZRHRDRVRGEVNW-UHFFFAOYSA-N,C12H9N3O,211.22,211.0745619,0,65.8,419,0,1,3,1,16,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)acetyl)amino)-3-(((1-(2-(dimethylamino)ethyl)-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-trans)-",61622-34-2,43708,"(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",CN(C)CCN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CC4=CSC(=N4)N)SC2)C(=O)O,"InChI=1S/C18H23N9O4S3/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31)/t12-,15-/m1/s1",QYQDKDWGWDOFFU-IUODEOHRSA-N,C18H23N9O4S3,525.6,525.1035138,-2.4,251,847,0,3,13,10,34,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)acetyl)amino)-3-(((1-(2-(dimethylamino)ethyl)-1H-tetrazol-5-yl)thio)methyl)-8-oxo-,dihydrochloride, (6R-trans)-",66309-69-1,47896,"(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;dihydrochloride",CN(C)CCN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CC4=CSC(=N4)N)SC2)C(=O)O.Cl.Cl,"InChI=1S/C18H23N9O4S3.2ClH/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10;;/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31);2*1H/t12-,15-;;/m1../s1",BWRRTAXZCKVRON-DGPOFWGLSA-N,C18H25Cl2N9O4S3,598.6,597.0568692,,251,847,0,5,13,10,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0
Maduramycin,61991-54-6,68595,"azane;2-[(2R,3S,4S,5R,6S)-6-[(1R)-1-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-[(2R,3S,5R)-3-[(2R,4S,5S,6S)-4,5-dimethoxy-6-methyloxan-2-yl]oxy-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-2-hydroxy-4,5-dimethoxy-3-methyloxan-2-yl]acetic acid",C[C@H]1C[C@H]([C@@](O[C@@H]1[C@H]2C[C@@H]([C@@H](O2)[C@@]3(CC[C@@H](O3)[C@@]4(CC[C@@]5(O4)C[C@@H]([C@H]([C@H](O5)[C@@H](C)[C@H]6[C@@H]([C@H]([C@@H]([C@](O6)(CC(=O)O)O)C)OC)OC)C)O)C)C)O[C@@H]7C[C@@H]([C@H]([C@@H](O7)C)OC)OC)(C)O)C.N,"InChI=1S/C47H80O17.H3N/c1-23-18-24(2)45(9,51)61-36(23)31-19-32(58-35-20-30(53-10)40(55-12)28(6)57-35)42(59-31)44(8)15-14-33(60-44)43(7)16-17-46(64-43)21-29(48)25(3)37(62-46)26(4)38-41(56-13)39(54-11)27(5)47(52,63-38)22-34(49)50;/h23-33,35-42,48,51-52H,14-22H2,1-13H3,(H,49,50);1H3/t23-,24+,25+,26+,27-,28-,29-,30-,31+,32-,33+,35+,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46+,47+;/m0./s1",WQGJEAMPBSZCIF-HKSLRPGUSA-N,C47H83NO17,934.2,933.5661002,,210,1610,0,5,18,13,65,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2H-Pyran-2-acetic acid, tetrahydro-2,4-dihydroxy-6-((1R)-1-((2S,5R,7S,8R,9S)-9-hydroxy-2,8-dimethyl-2-((2S,2'R,3'S,5R,5'R)-octahydro-2-methyl-5'-((2S,3S,5R,6S)-tetrahydro-6-hydroxy-3,5,6-trimethyl-2H-pyran-2-yl)-3'-(((2S,5S,6R)-tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy)(2,2'-bifuran)-5-yl)-1,6-dioxaspiro(4.5)dec-7-yl)ethyl)-5-methoxy-3-methyl-, (2R,3S,4S,5R,6S)-",113378-31-7,71327,"2-[(2R,3S,4S,5R,6S)-2,4-dihydroxy-6-[(1R)-1-[(2S,5R,7S,8R,9S)-7-hydroxy-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-3-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxyoxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-5-methoxy-3-methyloxan-2-yl]acetic acid",C[C@H]1C[C@H]([C@@](O[C@@H]1[C@H]2C[C@@H]([C@@H](O2)[C@@]3(CC[C@@H](O3)[C@@]4(CC[C@@]5(O4)C[C@@H]([C@H]([C@H](O5)[C@@H](C)[C@H]6[C@@H]([C@H]([C@@H]([C@](O6)(CC(=O)O)O)C)O)OC)C)O)C)C)O[C@H]7CC[C@@H]([C@H](O7)C)OC)(C)O)C,"InChI=1S/C45H76O16/c1-22-18-23(2)43(9,50)58-36(22)30-19-31(55-34-13-12-29(52-10)27(6)54-34)40(56-30)42(8)15-14-32(57-42)41(7)16-17-44(61-41)20-28(46)24(3)37(59-44)25(4)38-39(53-11)35(49)26(5)45(51,60-38)21-33(47)48/h22-32,34-40,46,49-51H,12-21H2,1-11H3,(H,47,48)/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31-,32+,34-,35-,36-,37-,38-,39+,40+,41-,42-,43-,44+,45+/m0/s1",WINSLRIENGBHSH-ASZYJFLUSA-N,C45H76O16,873.1,872.5133363,3.8,211,1540,0,5,16,11,61,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1
"Benzyl alcohol, alpha,alpha-dicyclopropyl-p-fluoro-",62586-96-3,44095,dicyclopropyl-(4-fluorophenyl)methanol,C1CC1C(C2CC2)(C3=CC=C(C=C3)F)O,"InChI=1S/C13H15FO/c14-12-7-5-11(6-8-12)13(15,9-1-2-9)10-3-4-10/h5-10,15H,1-4H2",UZLKOZBJNPWGSK-UHFFFAOYSA-N,C13H15FO,206.26,206.1106933,2.5,20.2,225,0,1,2,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzyl alcohol, p-chloro-alpha,alpha-dicyclopropyl-",62586-97-4,44096,(4-chlorophenyl)-dicyclopropylmethanol,C1CC1C(C2CC2)(C3=CC=C(C=C3)Cl)O,"InChI=1S/C13H15ClO/c14-12-7-5-11(6-8-12)13(15,9-1-2-9)10-3-4-10/h5-10,15H,1-4H2",OVIMMGOKMSTAHQ-UHFFFAOYSA-N,C13H15ClO,222.71,222.0811428,4,20.2,225,0,1,1,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4(1H)-Pteridinone, 2-amino-6-((1R,2S)-1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-, (6R)-",62989-33-7,135398654,"(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one",C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,"InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1",FNKQXYHWGSIFBK-RPDRRWSUSA-N,C9H15N5O3,241.25,241.1174894,-1.9,132,405,0,6,6,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4(1H)-Pteridinone, 5,6,7,8-tetrahydro-2-amino-6-(1,2-dihydroxypropyl)-,dihydrochloride, (6R-(6R*(1R*,2S*)))-",69056-38-8,135409471,"(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride",C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O.Cl.Cl,"InChI=1S/C9H15N5O3.2ClH/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7;;/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17);2*1H/t3-,4+,6-;;/m0../s1",RKSUYBCOVNCALL-NTVURLEBSA-N,C9H17Cl2N5O3,314.17,313.0708448,,132,405,0,8,6,2,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetrahydro-2-furanyl)carbonyl)-",63590-64-7,5401,"[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone",COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC,"InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)",VCKUSRYTPJJLNI-UHFFFAOYSA-N,C19H25N5O4,387.4,387.1906543,1.4,103,544,0,1,8,4,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetrahydro-2-furanyl)carbonyl)-,monohydrochloride",63074-08-8,44383,"[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride",COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC.Cl,"InChI=1S/C19H25N5O4.ClH/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14;/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22);1H",IWSWDOUXSCRCKW-UHFFFAOYSA-N,C19H26ClN5O4,423.9,423.167332,,103,544,0,2,8,4,29,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
"Cyclobutanemethanamine, 1-(4-chlorophenyl)-N-methyl-alpha-(2-methylpropyl)-, hydrochloride",,13083195,"1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine;hydrochloride",CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)NC.Cl,"InChI=1S/C16H24ClN.ClH/c1-12(2)11-15(18-3)16(9-4-10-16)13-5-7-14(17)8-6-13;/h5-8,12,15,18H,4,9-11H2,1-3H3;1H",OUVFHVJVFLFXPQ-UHFFFAOYSA-N,C16H25Cl2N,302.3,301.1364052,,12,252,0,2,1,5,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclobutanecarboxylic acid, 3-phenyl-",66016-28-2,47806,3-phenylcyclobutane-1-carboxylic acid,C1C(CC1C(=O)O)C2=CC=CC=C2,"InChI=1S/C11H12O2/c12-11(13)10-6-9(7-10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)",KOSJHQBPJQYNTB-UHFFFAOYSA-N,C11H12O2,176.21,176.0837296,2,37.3,188,0,1,2,2,13,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, 4-methoxy-N-(2-(2-(1-methyl-2-piperidinyl)ethyl)phenyl)-, (+-)-",66778-36-7,48041,4-methoxy-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide,CN1CCCCC1CCC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OC,"InChI=1S/C22H28N2O2/c1-24-16-6-5-8-19(24)13-10-17-7-3-4-9-21(17)23-22(25)18-11-14-20(26-2)15-12-18/h3-4,7,9,11-12,14-15,19H,5-6,8,10,13,16H2,1-2H3,(H,23,25)",PJWPNDMDCLXCOM-UHFFFAOYSA-N,C22H28N2O2,352.5,352.2150781,4.3,41.6,434,0,1,3,6,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Imidazole-1-carboxamide, N-propyl-N-(2-(2,4,6-trichlorophenoxy)ethyl)-",67747-09-5,73665,"N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide",CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2,"InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3",TVLSRXXIMLFWEO-UHFFFAOYSA-N,C15H16Cl3N3O2,376.7,375.03081,4.6,47.4,377,0,0,3,6,23,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
Interferon-alpha-2 (human leucocyte clone pM21 protein moiety reduced),98530-12-2,71306834,"sodium;diiodomethanesulfonate;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide",CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2.C(S(=O)(=O)[O-])(I)I.[Na+],"InChI=1S/C15H16Cl3N3O2.CH2I2O3S.Na/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18;2-1(3)7(4,5)6;/h3,5,8-10H,2,4,6-7H2,1H3;1H,(H,4,5,6);/q;;+1/p-1",MIXCUJKCXRNYFM-UHFFFAOYSA-M,C16H17Cl3I2N3NaO5S,746.5,744.79416,,113,511,0,0,6,7,31,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0
"4H-Pyrano(3,2-g)quinoline-2,8-dicarboxylic acid, 9-ethyl-6,9-dihydro-4,6-dioxo-10-propyl-, disodium salt",69049-74-7,50295,"disodium;9-ethyl-4,6-dioxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylate",CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)[O-])C(=O)C=C(N2CC)C(=O)[O-].[Na+].[Na+],"InChI=1S/C19H17NO7.2Na/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11;;/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26);;/q;2*+1/p-2",JQEKDNLKIVGXAU-UHFFFAOYSA-L,C19H15NNa2O7,415.3,415.0643904,,127,742,0,0,8,3,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-Pyrano(3,2-g)quinoline-2,8-dicarboxylic acid, 9-ethyl-6,9-dihydro-4,6-dioxo-10-propyl-",69049-73-6,50294,"9-ethyl-4,6-dioxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylic acid",CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)O)C(=O)C=C(N2CC)C(=O)O,"InChI=1S/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)",RQTOOFIXOKYGAN-UHFFFAOYSA-N,C19H17NO7,371.3,371.1005019,2.2,121,753,0,2,8,5,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"5H-Indeno(1,2-c)pyridazin-3-one, 2,3-dihydro-",69581-16-4,100609,"2,5-dihydroindeno[1,2-c]pyridazin-3-one",C1C2=CC=CC=C2C3=NNC(=O)C=C31,"InChI=1S/C11H8N2O/c14-10-6-8-5-7-3-1-2-4-9(7)11(8)13-12-10/h1-4,6H,5H2,(H,12,14)",HKIUVNSTQVQDJT-UHFFFAOYSA-N,C11H8N2O,184.19,184.0636629,1.3,41.5,343,0,1,2,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-Indeno(1,2-c)pyridazin-3-one, 2,5-dihydro-7-fluoro-",81198-18-7,3067298,"7-fluoro-2,5-dihydroindeno[1,2-c]pyridazin-3-one",C1C2=CC(=O)NN=C2C3=C1C=C(C=C3)F,"InChI=1S/C11H7FN2O/c12-8-1-2-9-6(4-8)3-7-5-10(15)13-14-11(7)9/h1-2,4-5H,3H2,(H,13,15)",SDCGBVFVEGVVSD-UHFFFAOYSA-N,C11H7FN2O,202.18,202.054241,1.4,41.5,375,0,1,3,0,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Avermectin A1a, 22,23-dihydro-5-O-demethyl-",71827-03-7,6321424,"(1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-[(2S)-butan-2-yl]-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one",CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C,"InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1",AZSNMRSAGSSBNP-XPNPUAGNSA-N,C48H74O14,875.1,874.507857,4.1,170,1680,0,3,14,8,62,,,1,1,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Avermectin A(sub 1a), 22,23-dihydro-5-O-demethyl-23-hydroxy-, (13R,23S)-",135680-93-2,6441103,"(1R,4S,4'S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-[(2S)-butan-2-yl]-4',21,24-trihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one",CC[C@H](C)[C@@H]1[C@H]([C@H](C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)O)C,"InChI=1S/C48H74O15/c1-11-24(2)43-28(6)35(49)22-47(63-43)21-33-18-32(62-47)16-15-26(4)42(25(3)13-12-14-31-23-56-45-40(50)27(5)17-34(46(52)59-33)48(31,45)53)60-39-20-37(55-10)44(30(8)58-39)61-38-19-36(54-9)41(51)29(7)57-38/h12-15,17,24-25,28-30,32-45,49-51,53H,11,16,18-23H2,1-10H3/b13-12+,26-15+,31-14+/t24-,25-,28-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47-,48+/m0/s1",CWGATOJEFAKFBK-PDVFGPFMSA-N,C48H74O15,891.1,890.5027717,3.2,190,1710,0,4,15,8,63,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Picolinic acid, 5-(p-tolyloxy)-",72133-26-7,3055222,5-(4-methylphenoxy)pyridine-2-carboxylic acid,CC1=CC=C(C=C1)OC2=CN=C(C=C2)C(=O)O,"InChI=1S/C13H11NO3/c1-9-2-4-10(5-3-9)17-11-6-7-12(13(15)16)14-8-11/h2-8H,1H3,(H,15,16)",MEZPFPIEWBDABE-UHFFFAOYSA-N,C13H11NO3,229.23,229.0738932,2.6,59.4,261,0,1,4,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Picolinic acid, 5-(m-chlorophenoxy)-",72133-34-7,3055226,5-(3-chlorophenoxy)pyridine-2-carboxylic acid,C1=CC(=CC(=C1)Cl)OC2=CN=C(C=C2)C(=O)O,"InChI=1S/C12H8ClNO3/c13-8-2-1-3-9(6-8)17-10-4-5-11(12(15)16)14-7-10/h1-7H,(H,15,16)",RBYCZLPCBDKRPG-UHFFFAOYSA-N,C12H8ClNO3,249.65,249.0192708,2.9,59.4,274,0,1,4,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,8-Indolizinetriol, octahydro-, (1S-(1-alpha,2-alpha,8-beta,8a-beta))-",72741-87-8,51683,"(1S,2R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol",C1C[C@H]([C@@H]2[C@@H]([C@@H](CN2C1)O)O)O,"InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1",FXUAIOOAOAVCGD-WCTZXXKLSA-N,C8H15NO3,173.21,173.1051933,-1.3,63.9,176,0,3,4,0,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"v-Triazole-4,5-dicarboxylic acid, 1-benzyl-",73953-89-6,427031,"1-benzyltriazole-4,5-dicarboxylic acid",C1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)O)C(=O)O,"InChI=1S/C11H9N3O4/c15-10(16)8-9(11(17)18)14(13-12-8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)(H,17,18)",IYYBUXUZYWGZGB-UHFFFAOYSA-N,C11H9N3O4,247.21,247.0593058,1,105,330,0,2,6,4,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1,2,3-Triazole-4-carboxamide, 1-((2,6-difluorophenyl)methyl)-",106308-44-5,129228,"1-[(2,6-difluorophenyl)methyl]triazole-4-carboxamide",C1=CC(=C(C(=C1)F)CN2C=C(N=N2)C(=O)N)F,"InChI=1S/C10H8F2N4O/c11-7-2-1-3-8(12)6(7)4-16-5-9(10(13)17)14-15-16/h1-3,5H,4H2,(H2,13,17)",POGQSBRIGCQNEG-UHFFFAOYSA-N,C10H8F2N4O,238.19,238.0666172,0.7,73.8,281,0,1,5,3,17,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,1
"1H-Pyrrolizine-1-carboxylic acid, 2,3-dihydro-5-benzoyl-, (+-)-",74103-06-3,3826,"5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid",C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O,"InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)",OZWKMVRBQXNZKK-UHFFFAOYSA-N,C15H13NO3,255.27,255.0895433,1.9,59.3,376,0,1,3,3,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrrolizine-1-carboxylic acid, 2,3-dihydro-5-benzoyl-, (+-)-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)",74103-07-4,84003,"2-amino-2-(hydroxymethyl)propane-1,3-diol;5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid",C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O.C(C(CO)(CO)N)O,"InChI=1S/C15H13NO3.C4H11NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13;5-4(1-6,2-7)3-8/h1-7,11H,8-9H2,(H,18,19);6-8H,1-3,5H2",BWHLPLXXIDYSNW-UHFFFAOYSA-N,C19H24N2O6,376.4,376.1634365,,146,430,0,5,7,6,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Toxin T-17,85079-48-7,46886835,"(1R,3S,5R,7S,9R,11S,12S,14R,16R,18S,20R,21Z,24S,26R,28S,30R,31R,33S,35R,37S,42R,44S,46R,48S)-12-hydroxy-14-[2-(hydroxymethyl)prop-2-enyl]-1,3,11,24,31,41,44-heptamethyl-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-39-one",C[C@@H]1C[C@H]2[C@@H](C[C@]3([C@H](O2)C[C@H]4[C@H](O3)C(=CC(=O)O4)C)C)O[C@@H]5[C@@H]1O[C@H]6C[C@@H]7[C@](C[C@@H]8[C@@](O7)(C/C=C\[C@@H]9[C@@H](O8)C[C@@H]1[C@@H](O9)C[C@@H]2[C@@](O1)([C@H](C[C@H](O2)CC(=C)CO)O)C)C)(O[C@@]6(CC5)C)C,"InChI=1S/C50H72O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,26,28-42,44-45,51-52H,1,11-15,17-24H2,2-8H3/b10-9-/t26-,28-,29-,30+,31+,32+,33+,34-,35+,36-,37+,38-,39+,40-,41-,42-,44-,45-,46+,47-,48+,49+,50+/m1/s1",BKMHDYJRAAJTAD-FGRVLNGBSA-N,C50H72O14,897.1,896.492207,3.8,159,1910,0,2,14,3,64,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Quinuclidinium, 3-hydroxy-1-methyl-, iodide, 2-phenylbutyrate (ester)",80381-22-2,3062211,(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-phenylbutanoate iodide,CCC(C1=CC=CC=C1)C(=O)OC2C[N+]3(CCC2CC3)C.[I-],"InChI=1S/C18H26NO2.HI/c1-3-16(14-7-5-4-6-8-14)18(20)21-17-13-19(2)11-9-15(17)10-12-19;/h4-8,15-17H,3,9-13H2,1-2H3;1H/q+1;/p-1",XMRJVBJUGDLPIJ-UHFFFAOYSA-M,C18H26INO2,415.3,415.10083,,26.3,367,0,0,3,5,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butyric acid, 2-phenyl-, 3-quinuclidinyl ester, monohydrochloride",80381-21-1,54563,1-azoniabicyclo[2.2.2]octan-3-yl 2-phenylbutanoate chloride,CCC(C1=CC=CC=C1)C(=O)OC2C[NH+]3CCC2CC3.[Cl-],"InChI=1S/C17H23NO2.ClH/c1-2-15(13-6-4-3-5-7-13)17(19)20-16-12-18-10-8-14(16)9-11-18;/h3-7,14-16H,2,8-12H2,1H3;1H",QLDOORIMSHRBPP-UHFFFAOYSA-N,C17H24ClNO2,309.8,309.1495567,,30.7,330,0,1,3,5,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Furancarboxamide, N-(3-((4-amino-6,7-dimethoxy-2-quinazolinyl)methylamino)propyl)tetrahydro-",81403-80-7,2092,"N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide",CN(CCCNC(=O)C1CCCO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC,"InChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)",WNMJYKCGWZFFKR-UHFFFAOYSA-N,C19H27N5O4,389.4,389.2063044,1.7,112,511,0,2,8,8,28,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"Quinuclidinium, 3-hydroxy-1-methyl-2-methylene-3-phenyl-, iodide",82380-38-9,3067893,1-methyl-2-methylidene-3-phenyl-1-azoniabicyclo[2.2.2]octan-3-ol iodide,C[N+]12CCC(CC1)C(C2=C)(C3=CC=CC=C3)O.[I-],"InChI=1S/C15H20NO.HI/c1-12-15(17,13-6-4-3-5-7-13)14-8-10-16(12,2)11-9-14;/h3-7,14,17H,1,8-11H2,2H3;1H/q+1;/p-1",OLPWBJQRCBKOLZ-UHFFFAOYSA-M,C15H20INO,357.23,357.05896,,20.2,324,0,1,2,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinuclidinium, 3-hydroxy-1-methyl-2-methylene-3-(3,4-xylyl)-, iodide",82380-46-9,3067904,"3-(3,4-dimethylphenyl)-1-methyl-2-methylidene-1-azoniabicyclo[2.2.2]octan-3-ol iodide",CC1=C(C=C(C=C1)C2(C3CC[N+](C2=C)(CC3)C)O)C.[I-],"InChI=1S/C17H24NO.HI/c1-12-5-6-16(11-13(12)2)17(19)14(3)18(4)9-7-15(17)8-10-18;/h5-6,11,15,19H,3,7-10H2,1-2,4H3;1H/q+1;/p-1",KOYPZEXOCSNHCD-UHFFFAOYSA-M,C17H24INO,385.28,385.09026,,20.2,383,0,1,2,1,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Piperazineacetamide, N-(2,6-dimethylphenyl)-4-(2-hydroxy-3-(2-methoxyphenoxy)propyl)-, dihydrochloride",95635-56-6,71279,"N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide;dihydrochloride",CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O.Cl.Cl,"InChI=1S/C24H33N3O4.2ClH/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3;;/h4-10,20,28H,11-17H2,1-3H3,(H,25,29);2*1H",RJNSNFZXAZXOFX-UHFFFAOYSA-N,C24H35Cl2N3O4,500.5,499.200462,,74.3,531,0,4,6,9,33,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Piperazineacetamide, N-(2,6-dimethylphenyl)-4-(2-hydroxy-3-(2-methoxyphenoxy)propyl)-",95635-55-5,56959,"N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide",CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,"InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)",XKLMZUWKNUAPSZ-UHFFFAOYSA-N,C24H33N3O4,427.5,427.2471065,2.7,74.3,531,0,2,6,9,31,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,1
"(1,4'-Bipiperidine)-1'-carboxylic acid, (4S)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl ester",97682-44-5,60838,"[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate",CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7,"InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1",UWKQSNNFCGGAFS-XIFFEERXSA-N,C33H38N4O6,586.7,586.2791349,3,113,1200,0,1,8,5,43,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,0
"(1,4'-Bipiperidine)-1'-carboxylic acid, 3,4,12,14-tetrahydro-4,11-diethyl-4-hydroxy-3,4-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl ester, monohydrochloride, (S)-",100286-90-6,74990,"[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate;hydrochloride",CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7.Cl,"InChI=1S/C33H38N4O6.ClH/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2;/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3;1H/t33-;/m0./s1",GURKHSYORGJETM-WAQYZQTGSA-N,C33H39ClN4O6,623.1,622.2558127,,113,1200,0,2,8,5,44,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"7H-Pyrido(1,2,3-de)-1,4-benzothiazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-10-(4-methyl-1-piperazinyl)-7-oxo-",101363-10-4,58258,"7-fluoro-6-(4-methylpiperazin-1-yl)-10-oxo-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid",CN1CCN(CC1)C2=C(C=C3C4=C2SCCN4C=C(C3=O)C(=O)O)F,"InChI=1S/C17H18FN3O3S/c1-19-2-4-20(5-3-19)14-12(18)8-10-13-16(14)25-7-6-21(13)9-11(15(10)22)17(23)24/h8-9H,2-7H2,1H3,(H,23,24)",NJCJBUHJQLFDSW-UHFFFAOYSA-N,C17H18FN3O3S,363.4,363.1052908,-0.3,89.4,608,0,1,8,2,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"7H-Pyrido(1,2,3-de)(1,4)benzothiazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-10-(4-methyl-1-piperazinyl)-7-oxo-, monohydrochloride",106017-08-7,176015,"7-fluoro-6-(4-methylpiperazin-1-yl)-10-oxo-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride",CN1CCN(CC1)C2=C(C=C3C4=C2SCCN4C=C(C3=O)C(=O)O)F.Cl,"InChI=1S/C17H18FN3O3S.ClH/c1-19-2-4-20(5-3-19)14-12(18)8-10-13-16(14)25-7-6-21(13)9-11(15(10)22)17(23)24;/h8-9H,2-7H2,1H3,(H,23,24);1H",LPQOADBMXVRBNX-UHFFFAOYSA-N,C17H19ClFN3O3S,399.9,399.0819685,,89.4,608,0,2,8,2,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Cyclopentene-1,2-diol, 5-(4-amino-1H-imidazo(4,5-c)pyridin-1-yl)-3-(hydroxymethyl)-, (1S,2R,5R)-",102052-95-9,73087,"(1S,2R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol",C1=CN=C(C2=C1N(C=N2)[C@@H]3C=C([C@H]([C@H]3O)O)CO)N,"InChI=1S/C12H14N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-3,5,8,10-11,17-19H,4H2,(H2,13,14)/t8-,10-,11+/m1/s1",OMKHWTRUYNAGFG-IEBDPFPHSA-N,C12H14N4O3,262.26,262.1065903,-1.7,117,378,0,4,6,2,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Cyclopentene-1,2-diol, 5-(4-amino-1H-imidazo(4,5-c)pyridin-1-yl)-3-(hydroxymethyl)-, hydrochloride, (1S,2R,5R)-",120964-45-6,14563109,"(1S,2R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol;hydrochloride",C1=CN=C(C2=C1N(C=N2)[C@@H]3C=C([C@H]([C@H]3O)O)CO)N.Cl,"InChI=1S/C12H14N4O3.ClH/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19;/h1-3,5,8,10-11,17-19H,4H2,(H2,13,14);1H/t8-,10-,11+;/m1./s1",UNSKMHKAFPRFTI-FDKLLANESA-N,C12H15ClN4O3,298.72,298.083268,,117,378,0,5,6,2,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5,9-Methanocycloocta(b)pyridin-2(1H)-one, 5-amino-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-, (5R-(5-alpha,9-beta,11E))-",102518-79-6,854026,"(1R,9R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one",C/C=C/1\[C@@H]2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3,"InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1",ZRJBHWIHUMBLCN-YQEJDHNASA-N,C15H18N2O,242.32,242.1419132,0,55.1,551,0,2,2,0,18,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5,9-Methanocycloocta(b)pyridin-2(1H)-one, 5-amino-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-",103735-86-0,1253,"1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one",CC=C1C2CC3=C(C1(CC(=C2)C)N)C=CC(=O)N3,"InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)",ZRJBHWIHUMBLCN-UHFFFAOYSA-N,C15H18N2O,242.32,242.1419132,0,55.1,551,0,2,2,0,18,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(((2-furanylcarbonyl)thio)methyl)-8-oxo-, monosodium salt(6R-(6-alpha,7-beta(Z))-",104010-37-9,23671563,"sodium (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC(=O)C4=CC=CO4)C(=O)[O-].[Na+],"InChI=1S/C19H17N5O7S3.Na/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10;/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28);/q;+1/p-1/b23-11-;/t12-,16-;/m1./s1",RFLHUYUQCKHUKS-JUODUXDSSA-M,C19H16N5NaO7S3,545.6,545.0109557,,259,952,0,2,13,9,35,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Ceftiofur, thermally treated (boiling water bath for 30 min)",,6328657,"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC(=O)C4=CC=CO4)C(=O)O,"InChI=1S/C19H17N5O7S3/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28)/b23-11-/t12-,16-/m1/s1",ZBHXIWJRIFEVQY-IHMPYVIRSA-N,C19H17N5O7S3,523.6,523.0290114,0.2,256,945,0,3,13,9,34,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"1H-Purine-2,6-dione, 3,7-dihydro-8-(diethylamino)-3-methyl-7-(2-phenoxyethyl)-",105522-58-5,1084966,"8-(diethylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione",CCN(CC)C1=NC2=C(N1CCOC3=CC=CC=C3)C(=O)NC(=O)N2C,"InChI=1S/C18H23N5O3/c1-4-22(5-2)17-19-15-14(16(24)20-18(25)21(15)3)23(17)11-12-26-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3,(H,20,24,25)",SIYFFUFRWMYNJE-UHFFFAOYSA-N,C18H23N5O3,357.4,357.1800896,2.2,79.7,507,0,1,5,7,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Spiro(1-azabicyclo(2.2.2)octane-3,5'-(1,3)oxathiolane), 2'-methyl-, hydrochloride, cis-",107220-28-0,123603,"(2R,5R)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane];hydrochloride",C[C@@H]1O[C@]2(CN3CCC2CC3)CS1.Cl,"InChI=1S/C10H17NOS.ClH/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11;/h8-9H,2-7H2,1H3;1H/t8-,10-;/m1./s1",SURWTGAXEIEOGY-GHXDPTCOSA-N,C10H18ClNOS,235.77,235.0797631,,37.8,215,0,1,3,0,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Tylosin, 4(sup A)-O-de(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-20-deoxo-20-(3,5-dimethyl-1-piperidinyl)-",108050-54-0,5282521,"(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-7-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione",CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CCN3C[C@@H](C[C@@H](C3)C)C)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC,"InChI=1S/C46H80N2O13/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3/b15-14+,25-19+/t26-,27+,28-,29+,30-,31-,32+,33-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45+,46-/m1/s1",JTSDBFGMPLKDCD-XVFHVFLVSA-N,C46H80N2O13,869.1,868.5660406,3.6,186,1420,0,4,15,12,61,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,1,0,0,1,1,0
"Silane, ((4-(4-(2-propenyl)-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethyl-",129338-85-8,3075947,"trimethyl-[2-[4-(4-prop-2-enyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)phenyl]ethynyl]silane",C[Si](C)(C)C#CC1=CC=C(C=C1)C23OCC(CO2)(CO3)CC=C,"InChI=1S/C19H24O3Si/c1-5-11-18-13-20-19(21-14-18,22-15-18)17-8-6-16(7-9-17)10-12-23(2,3)4/h5-9H,1,11,13-15H2,2-4H3",GQQMIUZDBULYCQ-UHFFFAOYSA-N,C19H24O3Si,328.5,328.1494712,,27.7,489,0,0,3,5,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-propyl-",108614-26-2,115223,"1-(4-ethynylphenyl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane",CCCC12COC(OC1)(OC2)C3=CC=C(C=C3)C#C,"InChI=1S/C16H18O3/c1-3-9-15-10-17-16(18-11-15,19-12-15)14-7-5-13(4-2)6-8-14/h2,5-8H,3,9-12H2,1H3",HFUCNMPQEAYQDJ-UHFFFAOYSA-N,C16H18O3,258.31,258.1255944,2.7,27.7,348,0,0,3,4,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"alpha-D-Glucopyranoside, methyl O-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1-4)-O-beta-D-glucopyranuronosyl-(1-4)-O-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1-4)-O-2-O-sulfo-alpha-L-idopyranuronosyl-(1-4)-2-deoxy-2-(sulfoamino)-, 6-(hydrogen sulfate), decasodium salt",114870-03-0,636380,"decasodium;(2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylate",CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)[O-])O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)[O-])O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)[O-])O)O)NS(=O)(=O)[O-])O)O)OS(=O)(=O)[O-])NS(=O)(=O)[O-])O)OS(=O)(=O)[O-])O)NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C31H53N3O49S8.10Na/c1-69-27-9(33-85(48,49)50)13(37)17(6(74-27)3-71-88(57,58)59)76-31-22(83-91(66,67)68)16(40)21(24(81-31)26(43)44)79-29-10(34-86(51,52)53)19(82-90(63,64)65)18(7(75-29)4-72-89(60,61)62)77-30-15(39)14(38)20(23(80-30)25(41)42)78-28-8(32-84(45,46)47)12(36)11(35)5(73-28)2-70-87(54,55)56;;;;;;;;;;/h5-24,27-40H,2-4H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;;;;;;;/q;10*+1/p-10/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-,23+,24-,27+,28-,29-,30-,31-;;;;;;;;;;/m1........../s1",XEKSTYNIJLDDAZ-JASSWCPGSA-D,C31H43N3Na10O49S8,1728.1,1726.770777,,901,3330,0,9,52,20,101,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"alpha-D-Glucopyranoside, methyl O-2,3,4-tri-O-methyl-6-O-sulfo-alpha-D-glucopyranosyl-(1-4)-O-2,3-di-O-methyl-beta-D-glucopyranuronosyl-(1-4)-O-2,3,6-tri-O-sulfo-alpha-D-lucopyranosyl-(1-4)-O-2,3-di-O-methyl-alpha-L-idopyranuronosyl-(1-4)-, tris(hydrogen sulfate)",162610-17-5,3083445,"(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4,5-dimethoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid",CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC)OC)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C(=O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OS(=O)(=O)O)OS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H](O[C@H]4C(=O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O,"InChI=1S/C38H64O49S7/c1-64-15-12(9-72-88(43,44)45)76-35(27(68-5)18(15)65-2)80-21-19(66-3)28(69-6)37(82-25(21)32(39)40)79-17-14(11-74-90(49,50)51)77-38(31(87-94(61,62)63)24(17)85-92(55,56)57)81-22-20(67-4)29(70-7)36(83-26(22)33(41)42)78-16-13(10-73-89(46,47)48)75-34(71-8)30(86-93(58,59)60)23(16)84-91(52,53)54/h12-31,34-38H,9-11H2,1-8H3,(H,39,40)(H,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)/t12-,13-,14-,15-,16-,17-,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28-,29-,30-,31-,34+,35-,36-,37-,38-/m1/s1",AJBMORBNKXNZSF-COSHMZDQSA-N,C38H64O49S7,1529.4,1528.056117,-9.6,735,3300,0,9,49,35,94,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"2-Thiophenepropanamine, N-methyl-gamma-(1-naphthalenyloxy)-, hydrochloride, (gamma-S)-",136434-34-9,60834,(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride,CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32.Cl,"InChI=1S/C18H19NOS.ClH/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16;/h2-10,13,17,19H,11-12H2,1H3;1H/t17-;/m0./s1",BFFSMCNJSOPUAY-LMOVPXPDSA-N,C18H20ClNOS,333.9,333.0954131,,49.5,312,0,2,3,6,22,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Propanoic acid, 2-(4-((6-chloro-2-quinoxalinyl)oxy)phenoxy)-, (tetrahydro-2-furanyl)methyl ester, (2R)-",119738-06-6,86175,oxolan-2-ylmethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate,CC(C(=O)OCC1CCCO1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl,"InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3",BBKDWPHJZANJGB-UHFFFAOYSA-N,C22H21ClN2O5,428.9,428.1138995,4.3,79.8,560,0,0,7,8,30,,,1,0,0,1,0,0,1,0,0,0,1,0,0,1,0,0,0,0,1,0
"Propanoic acid, 2-(4-((6-chloro-2-quinoxalinyl)oxy)phenoxy)-, (+-)-tetrahydrofurfuryl ester",,14601092,oxolan-2-ylmethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate,C[C@H](C(=O)OCC1CCCO1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl,"InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3/t14-,18?/m1/s1",BBKDWPHJZANJGB-IKJXHCRLSA-N,C22H21ClN2O5,428.9,428.1138995,4.3,79.8,560,0,0,7,8,30,,,1,0,0,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"2,4-Thiazolidinedione, 5-((4-(2-(methyl-2-pyridinylamino)ethoxy)phenyl)methyl)-",122320-73-4,77999,"5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione",CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3,"InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)",YASAKCUCGLMORW-UHFFFAOYSA-N,C18H19N3O3S,357.4,357.1147127,3.1,96.8,468,0,1,6,7,25,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
"Tricyclo(3.3.1.1(sup 3,7))decan-2-ol, 4-methyl-8-methylene-",122760-84-3,180122,4-methyl-8-methylideneadamantan-2-ol,CC1C2CC3CC1C(C(C2)C3=C)O,"InChI=1S/C12H18O/c1-6-8-3-9-5-10(6)12(13)11(4-8)7(9)2/h7-13H,1,3-5H2,2H3",REINJUBMDBESCN-UHFFFAOYSA-N,C12H18O,178.27,178.1357652,2.1,20.2,258,0,1,1,0,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"Tricyclo(3.3.1.1(sup 3,7))decan-2-ol, 4-methyl-8-methylene-, acetate",122760-85-4,19830424,(4-methyl-8-methylidene-2-adamantyl) acetate,CC1C2CC3CC1C(C(C2)C3=C)OC(=O)C,"InChI=1S/C14H20O2/c1-7-10-4-11-6-12(7)14(16-9(3)15)13(5-10)8(11)2/h8,10-14H,1,4-6H2,2-3H3",HYZYPKCUAUVUJO-UHFFFAOYSA-N,C14H20O2,220.31,220.1463299,2.6,26.3,347,0,0,2,2,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
Microcystin LF,154037-70-4,16760563,"(5R,8S,11R,12S,15S,18S,19S,22R)-15-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid",C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CC2=CC=CC=C2)/C=C/C(=C/[C@H](C)[C@H](CC3=CC=CC=C3)OC)/C,"InChI=1S/C52H71N7O12/c1-29(2)25-40-50(66)58-44(52(69)70)33(6)46(62)56-41(27-36-17-13-11-14-18-36)49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1",FEVBMCJUKWWWBT-QVWKUIOOSA-N,C52H71N7O12,986.2,985.5160707,5.1,279,1960,0,8,12,13,71,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"Cyclopentanol, 5-((4-chlorophenyl)methyl)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-",125116-23-6,86210,"5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol",CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C,"InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3",XWPZUHJBOLQNMN-UHFFFAOYSA-N,C17H22ClN3O,319.8,319.14514,3.7,50.9,384,0,1,3,4,22,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Cyclopentanol, 2-((4-chlorophenyl)methyl)-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)-",125225-28-7,86211,"2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol",CC(C)C1CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl,"InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3",QTYCMDBMOLSEAM-UHFFFAOYSA-N,C18H24ClN3O,333.9,333.1607901,4.1,50.9,386,0,1,3,5,23,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Cyclohexanecarboxamide, N-(2,3-dichloro-4-hydroxyphenyl)-1-methyl-",126833-17-8,213031,"N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide",CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl,"InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)",VDLGAVXLJYLFDH-UHFFFAOYSA-N,C14H17Cl2NO2,302.2,301.0636342,4.4,49.3,331,0,2,2,2,19,> 150 °C (> 302 °F),320 °C,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propanethioic acid, 2-methyl-, S-(2-(((1-(2-ethylbutyl)cyclohexyl)carbonyl)amino)phenyl) ester",211513-37-0,6918540,S-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-methylpropanethioate,CCC(CC)CC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C(C)C,"InChI=1S/C23H35NO2S/c1-5-18(6-2)16-23(14-10-7-11-15-23)22(26)24-19-12-8-9-13-20(19)27-21(25)17(3)4/h8-9,12-13,17-18H,5-7,10-11,14-16H2,1-4H3,(H,24,26)",YZQLWPMZQVHJED-UHFFFAOYSA-N,C23H35NO2S,389.6,389.2388505,7.1,71.5,481,0,1,3,9,27,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride, hydrate",131707-23-8,9958103,ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate;hydrochloride,CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CC=CC=C3.Cl,"InChI=1S/C22H25BrN2O3S.ClH/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3;/h6-11,26H,5,12-13H2,1-4H3;1H",OMZHXQXQJGCSKN-UHFFFAOYSA-N,C22H26BrClN2O3S,513.9,512.0536,,80,546,0,2,5,8,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Pyridine, 3-(4-(hexyloxy)-1,2,5-thiadiazol-3-yl)-1,2,5,6-tetrahydro-1-methyl-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)",152854-19-8,71456,"(2R,3R)-2,3-dihydroxybutanedioic acid;3-hexoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole",CCCCCCOC1=NSN=C1C2=CCCN(C2)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C14H23N3OS.C4H6O6/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12;5-1(3(7)8)2(6)4(9)10/h8H,3-7,9-11H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1",SJSVWTMVMBGIHQ-LREBCSMRSA-N,C18H29N3O7S,431.5,431.1726215,,182,432,0,4,11,10,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 3-(4-(hexyloxy)-1,2,5-thiadiazol-3-yl)-1,2,5,6-tetrahydro-1-methyl-",131986-45-3,60809,"3-hexoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole",CCCCCCOC1=NSN=C1C2=CCCN(C2)C,"InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3",JOLJIIDDOBNFHW-UHFFFAOYSA-N,C14H23N3OS,281.42,281.1561835,3.3,66.5,298,0,0,5,7,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2-chloro-5-(3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl)-, 1,1-dimethyl-2-oxo-2-(2-propenyloxy)ethyl ester",134605-64-4,11826859,"(2-methyl-1-oxo-1-prop-2-enoxypropan-2-yl) 2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoate",CC(C)(C(=O)OCC=C)OC(=O)C1=C(C=CC(=C1)N2C(=O)C=C(N(C2=O)C)C(F)(F)F)Cl,"InChI=1S/C20H18ClF3N2O6/c1-5-8-31-17(29)19(2,3)32-16(28)12-9-11(6-7-13(12)21)26-15(27)10-14(20(22,23)24)25(4)18(26)30/h5-7,9-10H,1,8H2,2-4H3",JEDYYFXHPAIBGR-UHFFFAOYSA-N,C20H18ClF3N2O6,474.8,474.0805485,3.5,93.2,842,0,0,9,8,32,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2(1H)-Quinazolinone, 3,3'-(1,4-butanediyl)bis(6-(3,5-dimethyl-4-isoxazolyl)-3,4-dihydro-1-methyl-4-phenyl-",,344381,1H-quinazolin-2-one,C1=CC=C2C(=C1)C=NC(=O)N2,"InChI=1S/C8H6N2O/c11-8-9-5-6-3-1-2-4-7(6)10-8/h1-5H,(H,9,10,11)",AVRPFRMDMNDIDH-UHFFFAOYSA-N,C8H6N2O,146.15,146.0480128,0.7,41.5,200,0,1,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperazine, 1-((3-(4,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methyl-",139755-83-2,135398744,"5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one",CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C,"InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)",BNRNXUUZRGQAQC-UHFFFAOYSA-N,C22H30N6O4S,474.6,474.2049246,1.5,118,838,0,1,8,7,33,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"(1,2,4)Triazolo(1,5-c)pyrimidine-2-sulfonamide, N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-",145701-21-9,3081304,"N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide",CCOC1=NC(=CC2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3Cl)Cl)F,"InChI=1S/C13H10Cl2FN5O3S/c1-2-24-13-17-9(16)6-10-18-12(19-21(10)13)25(22,23)20-11-7(14)4-3-5-8(11)15/h3-6,20H,2H2,1H3",QNXAVFXEJCPCJO-UHFFFAOYSA-N,C13H10Cl2FN5O3S,406.2,404.9865439,3.3,107,558,0,1,8,5,25,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"(1,2,4)Triazolo(1,5-c)pyrimidine-2-sulfonamide, N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-",145701-23-1,11700495,"N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide",COC1=NC=C(C2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3F)F)F,"InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3",QZXATCCPQKOEIH-UHFFFAOYSA-N,C12H8F3N5O3S,359.29,359.0299948,1.6,107,541,0,1,10,4,24,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanone, 2-(2-(acetyloxy)-6,7-dihydrothieno(3,2-c)pyridin-5(4H)-yl)-1-cyclopropyl-2-(2-fluorophenyl)-, hydrochloride (1:1)",389574-19-0,10158453,"[5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate;hydrochloride",CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl,"InChI=1S/C20H20FNO3S.ClH/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21;/h2-5,10,13,19H,6-9,11H2,1H3;1H",JALHGCPDPSNJNY-UHFFFAOYSA-N,C20H21ClFNO3S,409.9,409.0914706,,74.9,555,0,1,6,6,27,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0
"Ethanone, 2-(2-(acetyloxy)-6,7-dihydrothieno(3,2-c)pyridin-5(4H)-yl)-1-cyclopropyl-2-(2-fluorophenyl)-",150322-43-3,6918456,"[5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate",CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4,"InChI=1S/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3",DTGLZDAWLRGWQN-UHFFFAOYSA-N,C20H20FNO3S,373.4,373.1147928,3.6,74.9,555,0,0,6,6,26,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1
"D-erythro-Pentonamide, 2,3,5-trideoxy-N-((1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl)-5-((2S)-2-(((1,1-dimethylethyl)amino)carbonyl)-4-(3-pyridinylmethyl)-1-piperazinyl)-2-(phenylmethyl)-",150378-17-9,5362440,"(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide",CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=CC=C5,"InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1",CBVCZFGXHXORBI-PXQQMZJSSA-N,C36H47N5O4,613.8,613.362805,2.8,118,952,0,4,7,12,45,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"D-erythro-Pentonamide, 2,3,5-trideoxy-N-(2,3-dihydro-2-hydroxy-1H-inden-1-yl)-5-(2-(((1,1-dimethylethyl)amino)carbonyl)-4-(3-pyridinylmethyl)-1-piperazinyl)-2-(phenylmethyl)-,(1(1S,2R),5(S))-, sulfate (1:1) (salt)",157810-81-6,5462355,"(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide;sulfuric acid",CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=CC=C5.OS(=O)(=O)O,"InChI=1S/C36H47N5O4.H2O4S/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43;1-5(2,3)4/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45);(H2,1,2,3,4)/t28-,29+,31+,32-,33+;/m1./s1",NUBQKPWHXMGDLP-BDEHJDMKSA-N,C36H49N5O8S,711.9,711.3301847,,201,1030,0,6,11,12,50,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
"3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-((4aS,7aS)-octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-",151096-09-2,152946,"7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid",COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O,"InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1",FABPRXSRWADJSP-MEDUHNTESA-N,C21H24FN3O4,401.4,401.1750844,0.6,82.1,727,0,2,8,4,29,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-((4aS,7aS)-octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-, monohydrochloride",186826-86-8,101526,"7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;hydrochloride",COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O.Cl,"InChI=1S/C21H24FN3O4.ClH/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24;/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28);1H/t11-,16+;/m0./s1",IDIIJJHBXUESQI-DFIJPDEKSA-N,C21H25ClFN3O4,437.9,437.1517621,,82.1,727,0,3,8,4,30,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopropaneacetic acid, 1-((((1R)-1-(3-((1E)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)-, monosodium salt",151767-02-1,23663996,sodium 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate,CC(C)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)[O-])O.[Na+],"InChI=1S/C35H36ClNO3S.Na/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29;/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39);/q;+1/p-1/b15-10+;/t32-;/m1./s1",LBFBRXGCXUHRJY-HKHDRNBDSA-M,C35H35ClNNaO3S,608.2,607.1923871,,98.6,897,0,1,5,12,42,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
"Benzamide, 4-((4-methyl-1-piperazinyl)methyl)-N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)-",152459-95-5,5291,4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide,CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5,"InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)",KTUFNOKKBVMGRW-UHFFFAOYSA-N,C29H31N7O,493.6,493.2590086,3.5,86.3,706,0,2,7,7,37,,,0,0,0,0,0,1,0,1,0,0,1,0,0,1,0,0,1,0,0,0
"5H-Benzo(5,6)cyclohepta(1,2-b)pyridine, 6,11-dihydro-8-chloro-11-(1-((5-methyl-3-pyridinyl)methyl)-4-piperidinylidene)-, (E)-2-butenedioate (1:1)",182349-12-8,6449107,"(E)-but-2-enedioic acid;13-chloro-2-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene",CC1=CC(=CN=C1)CN2CCC(=C3C4=C(CCC5=C3N=CC=C5)C=C(C=C4)Cl)CC2.C(=C/C(=O)O)\C(=O)O,"InChI=1S/C26H26ClN3.C4H4O4/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25;5-3(6)1-2-4(7)8/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+",JYBLCDXVHQWMSU-WLHGVMLRSA-N,C30H30ClN3O4,532,531.1924841,,104,728,0,2,7,4,38,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2(5H)-Furanone, 3-(3-fluorophenyl)-5,5-dimethyl-4-(4-(methylsulfonyl)phenyl)-",178402-36-3,9906892,"3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one",CC1(C(=C(C(=O)O1)C2=CC(=CC=C2)F)C3=CC=C(C=C3)S(=O)(=O)C)C,"InChI=1S/C19H17FO4S/c1-19(2)17(12-7-9-15(10-8-12)25(3,22)23)16(18(21)24-19)13-5-4-6-14(20)11-13/h4-11H,1-3H3",NXERGIJHYVUXHM-UHFFFAOYSA-N,C19H17FO4S,360.4,360.0831584,3,68.8,666,0,0,5,3,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrazino(1',2':1,6)pyrido(3,4-b)indole-1,4-dione, 6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-2-methyl-, (6R,12aR)-",171596-29-5,110635,"(2R,8R)-2-(1,3-benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione",CN1CC(=O)N2[C@@H](C1=O)CC3=C([C@H]2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36,"InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1",WOXKDUGGOYFFRN-IIBYNOLFSA-N,C22H19N3O4,389.4,389.1375561,2.3,74.9,702,0,1,4,1,29,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 2-((((4,5-dihydro-4-methyl-5-oxo-3-propoxy-1H-1,2,4-triazol-1-yl)carbonyl)amino)sulfonyl)-, methyl ester, sodium salt",181274-15-7,12056759,"sodium (2-methoxycarbonylphenyl)sulfonyl-(4-methyl-5-oxo-3-propoxy-1,2,4-triazole-1-carbonyl)azanide",CCCOC1=NN(C(=O)N1C)C(=O)[N-]S(=O)(=O)C2=CC=CC=C2C(=O)OC.[Na+],"InChI=1S/C15H18N4O7S.Na/c1-4-9-26-14-16-19(15(22)18(14)2)13(21)17-27(23,24)11-8-6-5-7-10(11)12(20)25-3;/h5-8H,4,9H2,1-3H3,(H,17,21);/q;+1/p-1",JRQGDDUXDKCWRF-UHFFFAOYSA-M,C15H17N4NaO7S,420.4,420.0715644,,132,737,0,0,9,7,28,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-N-((2-(trifluoromethoxy)phenyl)sulfonyl)-, sodium salt",181274-17-9,12056760,"sodium (3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)-[2-(trifluoromethoxy)phenyl]sulfonylazanide",CN1C(=NN(C1=O)C(=O)[N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)OC.[Na+],"InChI=1S/C12H11F3N4O6S.Na/c1-18-10(24-2)16-19(11(18)21)9(20)17-26(22,23)8-6-4-3-5-7(8)25-12(13,14)15;/h3-6H,1-2H3,(H,17,20);/q;+1/p-1",UOUXAYAIONPXDH-UHFFFAOYSA-M,C12H10F3N4NaO6S,418.28,418.017084,,115,711,0,0,11,4,27,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzonitrile, 4-(2-((1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl)-4-thiazolyl)-",182760-06-1,467825,"4-[2-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile",C[C@@H](C1=NC(=CS1)C2=CC=C(C=C2)C#N)[C@](CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O,"InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-7-6-17(23)8-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1",OPAHEYNNJWPQPX-RCDICMHDSA-N,C22H17F2N5OS,437.5,437.1121877,3.5,116,657,0,1,8,6,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzonitrile, 4-(2-((1R,2R)-2-(2,5-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl)-4-thiazolyl)-",241479-67-4,6918485,"4-[2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile",C[C@@H](C1=NC(=CS1)C2=CC=C(C=C2)C#N)[C@](CN3C=NC=N3)(C4=C(C=CC(=C4)F)F)O,"InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1",DDFOUSQFMYRUQK-RCDICMHDSA-N,C22H17F2N5OS,437.5,437.1121877,3.5,116,657,0,1,8,6,31,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
"1H-Indol-5-ol, 1-((4-(2-(hexahydro-1H-azepin-1-yl)ethoxy)phenyl)methyl)-2-(4-hydroxyphenyl)-3-methyl-",198481-32-2,154257,1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol,CC1=C(N(C2=C1C=C(C=C2)O)CC3=CC=C(C=C3)OCCN4CCCCCC4)C5=CC=C(C=C5)O,"InChI=1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3",UCJGJABZCDBEDK-UHFFFAOYSA-N,C30H34N2O3,470.6,470.256943,6.1,57.9,623,0,2,4,7,35,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-pyridinyl)phenyl)methyl)-, dimethyl ester, (3S,8S,9S,12S)-, sulfate (1:1) (salt)",229975-97-7,158550,"methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;sulfuric acid",CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC.OS(=O)(=O)O,"InChI=1S/C38H52N6O7.H2O4S/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28;1-5(2,3)4/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47);(H2,1,2,3,4)/t29-,30-,31+,32+;/m0./s1",DQSGVVGOPRWTKI-QVFAWCHISA-N,C38H54N6O11S,802.9,802.3571277,,254,1190,0,7,13,18,56,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,1,1
"Imidazo(5,1-f)(1,2,4)triazin-4(1H)-one, 2-(2-ethoxy-5-((4-ethyl-1-piperazinyl)sulfonyl)phenyl)-5-methyl-7-propyl-, hydrochloride hydrate (1:1:3)",330808-88-3,135413545,"2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;trihydrate;hydrochloride",CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C.O.O.O.Cl,"InChI=1S/C23H32N6O4S.ClH.3H2O/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28;;;;/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30);1H;3*1H2",FBCDRHDULQYRTB-UHFFFAOYSA-N,C23H39ClN6O7S,579.1,578.2289465,,121,854,0,5,11,8,38,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Imidazo(5,1-f)(1,2,4)triazin-4(1H)-one, 2-(2-ethoxy-5-((4-ethyl-1-piperazinyl)sulfonyl)phenyl)-5-methyl-7-propyl-, hydrochloride (1:1)",224785-91-5,135438569,"2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;hydrochloride",CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C.Cl,"InChI=1S/C23H32N6O4S.ClH/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28;/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30);1H",XCMULUAPJXCOHI-UHFFFAOYSA-N,C23H33ClN6O4S,525.1,524.1972524,,118,854,0,2,8,8,35,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"6,10-Methano-6H-pyrazino(2,3-h)(3)benzazepine, 7,8,9,10-tetrahydro-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)",375815-87-5,6918678,"(2R,3R)-2,3-dihydroxybutanedioic acid;(1S,12R)-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene",C1[C@@H]2CNC[C@H]1C3=CC4=NC=CN=C4C=C23.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C13H13N3.C4H6O6/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1;5-1(3(7)8)2(6)4(9)10/h1-2,4-5,8-9,14H,3,6-7H2;1-2,5-6H,(H,7,8)(H,9,10)/t8-,9+;1-,2-/m.1/s1",TWYFGYXQSYOKLK-CYUSMAIQSA-N,C17H19N3O6,361.3,361.1273853,,153,388,0,5,9,3,26,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrazinecarboxamide, 6-fluoro-3,4-dihydro-3-oxo-",259793-96-9,492405,5-fluoro-2-oxo-1H-pyrazine-3-carboxamide,C1=C(N=C(C(=O)N1)C(=O)N)F,"InChI=1S/C5H4FN3O2/c6-2-1-8-5(11)3(9-2)4(7)10/h1H,(H2,7,10)(H,8,11)",ZCGNOVWYSGBHAU-UHFFFAOYSA-N,C5H4FN3O2,157.1,157.0287545,-0.6,84.6,281,0,2,4,1,11,,,0,0,0,1,0,0,0,1,0,0,1,0,0,1,0,0,1,0,0,1
"2(1H)-Pyrazinone, 1-hydroxy-3,6-bis(2-methylpropyl)-, aluminum salt (3:1)",,72758,1H-pyrazin-2-one,C1=CN=CC(=O)N1,"InChI=1S/C4H4N2O/c7-4-3-5-1-2-6-4/h1-3H,(H,6,7)",HUTNOYOBQPAKIA-UHFFFAOYSA-N,C4H4N2O,96.09,96.03236276,-1.5,41.5,137,0,1,2,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-Naphthalenecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-",,3038495,N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide,COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC4=CC=CC=C4C=C3,"InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)",MNHDKMDLOJSCGN-UHFFFAOYSA-N,C26H31N3O2,417.5,417.2416272,4.8,44.8,549,0,1,4,8,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Naphthalenecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-, monohydrochloride",314776-92-6,3038494,N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide;hydrochloride,COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC4=CC=CC=C4C=C3.Cl,"InChI=1S/C26H31N3O2.ClH/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23;/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30);1H",KFWJGUZIZAPFMX-UHFFFAOYSA-N,C26H32ClN3O2,454,453.218305,,44.8,549,0,2,4,8,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propanamide, 3-(4-cyanophenoxy)-N-(4-cyano-3-(trifluoromethyl)phenyl)-2-hydroxy-2-methyl-, (2S)-",,11326715,(2S)-3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide,C[C@](COC1=CC=C(C=C1)C#N)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O,"InChI=1S/C19H14F3N3O3/c1-18(27,11-28-15-6-2-12(9-23)3-7-15)17(26)25-14-5-4-13(10-24)16(8-14)19(20,21)22/h2-8,27H,11H2,1H3,(H,25,26)/t18-/m0/s1",JNGVJMBLXIUVRD-SFHVURJKSA-N,C19H14F3N3O3,389.3,389.0987258,2.7,106,658,0,2,8,5,28,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Propanamide, 3-(4-(acetylamino)phenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)-, (2S)-",401900-40-1,9824562,(2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide,CC(=O)NC1=CC=C(C=C1)OC[C@@](C)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O,"InChI=1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1",YVXVTLGIDOACBJ-SFHVURJKSA-N,C19H18F3N3O6,441.4,441.1147698,2.2,133,663,0,3,9,6,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,4-Triazolo(4,3-a)pyrazine, 7-((3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl)-5,6,7,8-tetrahydro-3-(trifluoromethyl)-",486460-32-6,4369359,"(3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one",C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N,"InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1",MFFMDFFZMYYVKS-SECBINFHSA-N,C16H15F6N5O,407.31,407.1180791,0.7,77,566,0,1,10,4,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0
"1,2,4-Triazolo(4,3-a)pyrazine, 7-((3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl)-5,6,7,8-tetrahydro-3-(trifluoromethyl)-, phosphate, hydrate (1:1:1)",654671-77-9,11591741,"(3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;phosphoric acid;hydrate",C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N.O.OP(=O)(O)O,"InChI=1S/C16H15F6N5O.H3O4P.H2O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22;1-5(2,3)4;/h4,6,9H,1-3,5,7,23H2;(H3,1,2,3,4);1H2/t9-;;/m1../s1",GQPYTJVDPQTBQC-KLQYNRQASA-N,C16H20F6N5O6P,523.32,523.1055393,,156,616,0,5,15,4,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0
"2-Propanol, 1-((4-((4-fluoro-2-methyl-1H-indol-5-yl)oxy)-5-methylpyrrolo(2,1-f)(1,2,4)triazin-6-yl)oxy)-, (2R)-",649735-46-6,11234052,"(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol",CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)O)C,"InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1",WCWUXEGQKLTGDX-LLVKDONJSA-N,C19H19FN4O3,370.4,370.1441186,3,84.7,515,0,2,6,5,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"L-Alanine, (1R)-2-((4-((4-fluoro-2-methyl-1H-indol-5-yl)oxy)-5-methylpyrrolo(2,1-f)(1,2,4)triazin-6-yl)oxy)-1-methylethyl ester",649735-63-7,11154925,"[(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] (2S)-2-aminopropanoate",CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)OC(=O)[C@H](C)N)C,"InChI=1S/C22H24FN5O4/c1-11-7-15-16(27-11)5-6-17(19(15)23)32-21-20-13(3)18(8-28(20)26-10-25-21)30-9-12(2)31-22(29)14(4)24/h5-8,10,12,14,27H,9,24H2,1-4H3/t12-,14+/m1/s1",LTEJRLHKIYCEOX-OCCSQVGLSA-N,C22H24FN5O4,441.5,441.1812324,3.1,117,660,0,2,8,8,32,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"4-Pyrimidinecarboxylic acid, 6-amino-5-chloro-2-cyclopropyl-",858956-08-8,17747875,6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylic acid,C1CC1C2=NC(=C(C(=N2)N)Cl)C(=O)O,"InChI=1S/C8H8ClN3O2/c9-4-5(8(13)14)11-7(3-1-2-3)12-6(4)10/h3H,1-2H2,(H,13,14)(H2,10,11,12)",KWAIHLIXESXTJL-UHFFFAOYSA-N,C8H8ClN3O2,213.62,213.0305042,0.9,89.1,247,0,2,5,2,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Pyrimidinecarboxylic acid, 6-amino-5-chloro-2-cyclopropyl-, methyl ester",858954-83-3,16725794,methyl 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate,COC(=O)C1=C(C(=NC(=N1)C2CC2)N)Cl,"InChI=1S/C9H10ClN3O2/c1-15-9(14)6-5(10)7(11)13-8(12-6)4-2-3-4/h4H,2-3H2,1H3,(H2,11,12,13)",MDWRNPOBHVLALB-UHFFFAOYSA-N,C9H10ClN3O2,227.65,227.0461543,1.2,78.1,260,0,1,5,3,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Furanone, tetrahydro-5-(3-hydroxybenzyl)-",,3028409,5-[(3-hydroxyphenyl)methyl]oxolan-2-one,C1CC(=O)OC1CC2=CC(=CC=C2)O,"InChI=1S/C11H12O3/c12-9-3-1-2-8(6-9)7-10-4-5-11(13)14-10/h1-3,6,10,12H,4-5,7H2",VYWFHBSBNKNWSB-UHFFFAOYSA-N,C11H12O3,192.21,192.0786442,1.8,46.5,215,0,1,3,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Furanone, tetrahydro-5-(3,4-dihydroxybenzyl)-",,152432,"5-[(3,4-dihydroxyphenyl)methyl]oxolan-2-one",C1CC(=O)OC1CC2=CC(=C(C=C2)O)O,"InChI=1S/C11H12O4/c12-9-3-1-7(6-10(9)13)5-8-2-4-11(14)15-8/h1,3,6,8,12-13H,2,4-5H2",ZNXXWTPQHVLMQT-UHFFFAOYSA-N,C11H12O4,208.21,208.0735589,1.5,66.8,241,0,2,4,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIPHENYLBORANE,000960-71-4,70400,triphenylborane,B(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,InChI=1S/C18H15B/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,MXSVLWZRHLXFKH-UHFFFAOYSA-N,C18H15B,242.1,242.1266806,,0,202,0,0,0,3,19,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
TRIS(PENTAFLUOROPHENYL) BORON,001109-15-5,582056,"tris(2,3,4,5,6-pentafluorophenyl)borane",B(C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)C3=C(C(=C(C(=C3F)F)F)F)F,InChI=1S/C18BF15/c20-4-1(5(21)11(27)16(32)10(4)26)19(2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25,OBAJXDYVZBHCGT-UHFFFAOYSA-N,C18BF15,512,511.9853526,,0,566,0,0,15,3,34,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(1-NAPHTHYLMETHYL)-2-IMIDAZOLINE HYDROCHLORIDE,000550-99-2,11079,"2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride",C1CN=C(N1)CC2=CC=CC3=CC=CC=C32.Cl,"InChI=1S/C14H14N2.ClH/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;/h1-7H,8-10H2,(H,15,16);1H",DJDFFEBSKJCGHC-UHFFFAOYSA-N,C14H15ClN2,246.73,246.0923762,,24.4,272,0,2,1,2,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Imidazoline, 2-(1-naphthylmethyl)-, mononitrate",5144-52-5,82332,"2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole;nitric acid",C1CN=C(N1)CC2=CC=CC3=CC=CC=C32.[N+](=O)(O)[O-],"InChI=1S/C14H14N2.HNO3/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;2-1(3)4/h1-7H,8-10H2,(H,15,16);(H,2,3,4)",ZAHXYMFVNNUHCP-UHFFFAOYSA-N,C14H15N3O3,273.29,273.1113414,,90.4,297,0,2,4,2,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SUFENTANIL,056030-54-7,41693,N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide,CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)COC,"InChI=1S/C22H30N2O2S/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20/h4-10,17H,3,11-16,18H2,1-2H3",GGCSSNBKKAUURC-UHFFFAOYSA-N,C22H30N2O2S,386.6,386.2027994,4,61,459,0,0,4,8,27,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
SUFENTANIL CITRATE (SUFENTA),060561-17-3,65494,"2-hydroxypropane-1,2,3-tricarboxylic acid;N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide",CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)COC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,"InChI=1S/C22H30N2O2S.C6H8O7/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-10,17H,3,11-16,18H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",OJCZPLDERGDQRJ-UHFFFAOYSA-N,C28H38N2O9S,578.7,578.229802,,193,687,0,4,11,13,40,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZYLFENTANYL HYDROCHLORIDE,005156-58-1,60196318,N-(1-benzylpiperidin-4-yl)-N-phenylpropanamide;hydrochloride,CCC(=O)N(C1CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3.Cl,"InChI=1S/C21H26N2O.ClH/c1-2-21(24)23(19-11-7-4-8-12-19)20-13-15-22(16-14-20)17-18-9-5-3-6-10-18;/h3-12,20H,2,13-17H2,1H3;1H",IHEUGHQOXFVWOX-UHFFFAOYSA-N,C21H27ClN2O,358.9,358.1811912,,23.6,377,0,1,2,5,25,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5H-Dibenzo(b,e)(1,4)diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)-",005786-21-0,135398737,"3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine",CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42,"InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3",QZUDBNBUXVUHMW-UHFFFAOYSA-N,C18H19ClN4,326.8,326.1298243,3.1,30.9,446,0,1,3,1,23,,,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0
"5H-Dibenzo(b,e)(1,4)diazepine, 11-(4-methyl-1-piperazinyl)-",7/7/77,16103,"6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine",CN1CCN(CC1)C2=NC3=CC=CC=C3NC4=CC=CC=C42,"InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)18-14-6-2-3-7-15(14)19-16-8-4-5-9-17(16)20-18/h2-9,19H,10-13H2,1H3",VQHITFFJBFOMBG-UHFFFAOYSA-N,C18H20N4,292.4,292.1687967,2.4,30.9,413,0,1,3,1,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-BIS(5-PHENYLOXAZOL-2-YL)BENZENE",001806-34-4,15732,"5-phenyl-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]-1,3-oxazole",C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=C(C=C3)C4=NC=C(O4)C5=CC=CC=C5,InChI=1S/C24H16N2O2/c1-3-7-17(8-4-1)21-15-25-23(27-21)19-11-13-20(14-12-19)24-26-16-22(28-24)18-9-5-2-6-10-18/h1-16H,MASVCBBIUQRUKL-UHFFFAOYSA-N,C24H16N2O2,364.4,364.1211778,6.4,52.1,437,0,0,4,4,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-Pyridinol, 5-benzyl-",52196-90-4,796726,5-benzylpyridin-3-ol,C1=CC=C(C=C1)CC2=CC(=CN=C2)O,"InChI=1S/C12H11NO/c14-12-7-11(8-13-9-12)6-10-4-2-1-3-5-10/h1-5,7-9,14H,6H2",BBQJCGXVQMUHAR-UHFFFAOYSA-N,C12H11NO,185.22,185.084064,2.4,33.1,166,0,1,2,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE",003179-31-5,2723802,"1,2-dihydro-1,2,4-triazole-3-thione",C1=NC(=S)NN1,"InChI=1S/C2H3N3S/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)",AFBBKYQYNPNMAT-UHFFFAOYSA-N,C2H3N3S,101.13,101.0047683,-0.2,68.5,97,0,2,1,0,6,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
VINCAMINE,001617-90-9,15376,"methyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate",CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@](C2)(C(=O)OC)O,"InChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21+/m1/s1",RXPRRQLKFXBCSJ-GIVPXCGWSA-N,C21H26N2O3,354.4,354.1943427,2.9,54.7,598,0,1,4,3,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, ethyl ester, (3-alpha,14-beta,16-alpha)-",40163-56-2,218071,"ethyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate",CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@](C2)(C(=O)OCC)O,"InChI=1S/C22H28N2O3/c1-3-21-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(18(16)19(21)23)22(26,14-21)20(25)27-4-2/h5-6,8-9,19,26H,3-4,7,10-14H2,1-2H3/t19-,21+,22+/m1/s1",XRMLLVHAALNSGZ-HJNYFJLDSA-N,C22H28N2O3,368.5,368.2099928,3.2,54.7,612,0,1,4,4,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"p-Cresol, alpha-cyclohexylidene-alpha-(p-hydroxyphenyl)-",005189-40-2,21260,4-[cyclohexylidene-(4-hydroxyphenyl)methyl]phenol,C1CCC(=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)CC1,"InChI=1S/C19H20O2/c20-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)16-8-12-18(21)13-9-16/h6-13,20-21H,1-5H2",POEZOFHZEJTFHF-UHFFFAOYSA-N,C19H20O2,280.4,280.1463299,5.3,40.5,326,0,2,2,2,21,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"p-Cresol, alpha-cyclohexylidene-alpha-(p-hydroxyphenyl)-, diacetate",002624-43-3,2898,[4-[(4-acetyloxyphenyl)-cyclohexylidenemethyl]phenyl] acetate,CC(=O)OC1=CC=C(C=C1)C(=C2CCCCC2)C3=CC=C(C=C3)OC(=O)C,"InChI=1S/C23H24O4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h8-15H,3-7H2,1-2H3",GVOUFPWUYJWQSK-UHFFFAOYSA-N,C23H24O4,364.4,364.1674592,5.5,52.6,503,0,0,4,6,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
"Thieno(2,3-c)pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-2-amino-6-benzyl-,",025913-34-2,134896,"ethyl 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride",CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)N.Cl,"InChI=1S/C17H20N2O2S.ClH/c1-2-21-17(20)15-13-8-9-19(11-14(13)22-16(15)18)10-12-6-4-3-5-7-12;/h3-7H,2,8-11,18H2,1H3;1H",LMAQHEGFQZGATE-UHFFFAOYSA-N,C17H21ClN2O2S,352.9,352.1012268,,83.8,387,0,2,5,5,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Thieno(2,3-c)pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-2-amino-6-benzyl-, ethyl ester",24237-54-5,5480,"ethyl 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate",CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)N,"InChI=1S/C17H20N2O2S/c1-2-21-17(20)15-13-8-9-19(11-14(13)22-16(15)18)10-12-6-4-3-5-7-12/h3-7H,2,8-11,18H2,1H3",PFENFDGYVLAFBR-UHFFFAOYSA-N,C17H20N2O2S,316.4,316.1245491,3.4,83.8,387,0,1,5,5,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
APRAMYCIN SULFATE,065710-07-8,3081544,"(2R,3R,4S,5S,6S)-2-[[(2R,3S,4R,4aR,6S,7R,8aS)-7-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-5-amino-6-(hydroxymethyl)oxane-3,4-diol;sulfuric acid",CN[C@H]1[C@H]([C@@H]2[C@H](C[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O[C@@H]1O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)N)O)O)O.OS(=O)(=O)O,"InChI=1S/C21H41N5O11.H2O4S/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31;1-5(2,3)4/h5-21,26-32H,2-4,22-25H2,1H3;(H2,1,2,3,4)/t5-,6+,7-,8+,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19+,20-,21-;/m1./s1",WGLYHYWDYPSNPF-RQFIXDHTSA-N,C21H43N5O15S,637.7,637.2476369,,367,841,0,13,20,6,42,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
MENADIONE SODIUM BISULFITE TRIHYDRATE,057414-02-5,517318,"sodium;2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonate;hydrate",CC1(CC(=O)C2=CC=CC=C2C1=O)S(=O)(=O)[O-].O.[Na+],"InChI=1S/C11H10O5S.Na.H2O/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13;;/h2-5H,6H2,1H3,(H,14,15,16);;1H2/q;+1;/p-1",QXTQSPTXVLMLHQ-UHFFFAOYSA-M,C11H11NaO6S,294.26,294.0174035,,101,466,0,1,6,1,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENESULFONIC ACID, 1,2,3,4-TETRAHYDRO-2-METHYL-1,4-DIOXO-,SODIUM SALT",000130-37-0,23665888,"sodium 2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonate",CC1(CC(=O)C2=CC=CC=C2C1=O)S(=O)(=O)[O-].[Na+],"InChI=1S/C11H10O5S.Na/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13;/h2-5H,6H2,1H3,(H,14,15,16);/q;+1/p-1",XDPFHGWVCTXHDX-UHFFFAOYSA-M,C11H9NaO5S,276.24,276.0068388,,99.7,466,0,0,5,1,18,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,4,5,8-NAPHTHALENETETRACARBOXYLIC DIANHYDRIDE",000081-30-1,6678,"6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone",C1=CC2=C3C(=CC=C4C3=C1C(=O)OC4=O)C(=O)OC2=O,InChI=1S/C14H4O6/c15-11-5-1-2-6-10-8(14(18)20-12(6)16)4-3-7(9(5)10)13(17)19-11/h1-4H,YTVNOVQHSGMMOV-UHFFFAOYSA-N,C14H4O6,268.18,268.0007878,1.9,86.7,446,0,0,6,0,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-DIBROMONAPHTHALENE-1,4,5,8-TETRACARBOXYLIC DIANHYDRIDE",083204-68-6,11974609,"2,9-dibromo-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone",C1=C2C3=C4C(=CC(=C3C(=O)OC2=O)Br)C(=O)OC(=O)C4=C1Br,InChI=1S/C14H2Br2O6/c15-5-1-3-7-8-4(12(18)22-13(19)9(5)8)2-6(16)10(7)14(20)21-11(3)17/h1-2H,FEDCHNPLDKDTNS-UHFFFAOYSA-N,C14H2Br2O6,425.97,425.81976,3.3,86.7,552,0,0,6,0,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,1,2,2-TETRAKIS(4-BROMOPHENYL)ETHYLENE",061326-44-1,11828419,"1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene",C1=CC(=CC=C1C(=C(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Br,InChI=1S/C26H16Br4/c27-21-9-1-17(2-10-21)25(18-3-11-22(28)12-4-18)26(19-5-13-23(29)14-6-19)20-7-15-24(30)16-8-20/h1-16H,BIRLDGKMJJEZRI-UHFFFAOYSA-N,C26H16Br4,648,647.79445,10.7,0,458,0,0,0,4,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOTHIAZOLIUM, 3-ETHYL-2-METHYL-, SALT WITH 4-METHYLBENZENESULFONIC ACID (1:",014933-76-7,84711,"3-ethyl-2-methyl-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate",CC[N+]1=C(SC2=CC=CC=C21)C.CC1=CC=C(C=C1)S(=O)(=O)[O-],"InChI=1S/C10H12NS.C7H8O3S/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",NJSVJXQJFLLFCG-UHFFFAOYSA-M,C17H19NO3S2,349.5,349.0806358,,97.7,353,0,0,4,1,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOTHIAZOLIUM, 2,3-DIMETHYL-6-NITRO-, SALT WITH 4-METHYLBENZENESULFONIC ACID",029770-14-7,169082,"2,3-dimethyl-6-nitro-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate",CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=C(S1)C=C(C=C2)[N+](=O)[O-])C,"InChI=1S/C9H9N2O2S.C7H8O3S/c1-6-10(2)8-4-3-7(11(12)13)5-9(8)14-6;1-6-2-4-7(5-3-6)11(8,9)10/h3-5H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",QHVZYSIEYHLOJN-UHFFFAOYSA-M,C16H16N2O5S2,380.4,380.050064,,144,436,0,0,6,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-ANTHRACENESULFONIC ACID, 1-AMINO-4-[[3-[[4-CHLORO-6-[(SULFOPHENYL)AMINO]-1,3",072214-18-7,166254,"trisodium;1-amino-4-[3-[[4-chloro-6-(2-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate",CC1=C(C(=C(C(=C1NC2=NC(=NC(=N2)NC3=CC=CC=C3S(=O)(=O)[O-])Cl)C)S(=O)(=O)[O-])C)NC4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+],"InChI=1S/C32H26ClN7O11S3.3Na/c1-13-25(35-19-12-21(53(46,47)48)24(34)23-22(19)27(41)16-8-4-5-9-17(16)28(23)42)14(2)29(54(49,50)51)15(3)26(13)37-32-39-30(33)38-31(40-32)36-18-10-6-7-11-20(18)52(43,44)45;;;/h4-12,35H,34H2,1-3H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H2,36,37,38,39,40);;;/q;3*+1/p-3",GWZGQKXBZOLBKS-UHFFFAOYSA-K,C32H23ClN7Na3O11S3,882.2,880.9999286,,332,1700,0,4,18,6,57,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
Lobeline,90-69-7,101616,"2-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanone",CN1[C@@H](CCC[C@@H]1CC(=O)C2=CC=CC=C2)C[C@@H](C3=CC=CC=C3)O,"InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m0/s1",MXYUKLILVYORSK-HBMCJLEFSA-N,C22H27NO2,337.5,337.2041791,3.8,40.5,412,0,1,3,6,25,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Lobeline, hydrochloride",134-63-4,101615,"2-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanone;hydrochloride",CN1[C@@H](CCC[C@@H]1CC(=O)C2=CC=CC=C2)C[C@@H](C3=CC=CC=C3)O.Cl,"InChI=1S/C22H27NO2.ClH/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18;/h2-7,9-12,19-21,24H,8,13-16H2,1H3;1H/t19-,20+,21-;/m0./s1",MKMYPTLXLWOUSO-NFQNBQCWSA-N,C22H28ClNO2,373.9,373.1808568,,40.5,412,0,2,3,6,26,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2-ethoxy-1-naphthamido)-3,3-dimethyl-7-oxo-, monosodium salt",985-16-0,23667630,"sodium (2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].[Na+],"InChI=1S/C21H22N2O5S.Na/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);/q;+1/p-1/t15-,16+,19-;/m1./s1",AYAPZOUDXCDGIF-FRFVDRIFSA-M,C21H21N2NaO5S,436.5,436.1068872,,124,705,0,1,6,5,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"Scilliroside, (3-beta,6-beta)-",507-60-8,441871,"[(3S,6R,8S,9R,10R,13R,14R,17R)-8,14-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-yl] acetate",CC(=O)O[C@@H]1C[C@@]2([C@H](CC[C@]3([C@@]2(CC[C@@H]3C4=COC(=O)C=C4)O)C)[C@@]5(C1=C[C@H](CC5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O,"InChI=1S/C32H44O12/c1-16(34)42-21-13-31(39)23(8-10-30(3)19(7-11-32(30,31)40)17-4-5-24(35)41-15-17)29(2)9-6-18(12-20(21)29)43-28-27(38)26(37)25(36)22(14-33)44-28/h4-5,12,15,18-19,21-23,25-28,33,36-40H,6-11,13-14H2,1-3H3/t18-,19+,21+,22+,23+,25+,26-,27+,28+,29-,30+,31-,32+/m0/s1",LSMIOFMZNVEEBR-ICLSSMQGSA-N,C32H44O12,620.7,620.2832768,-0.4,192,1280,0,6,12,6,44,,Decomposes,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-Anthracenedione, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-1,8-dihydroxy-6-methyl-",521-62-0,196979,"1,8-dihydroxy-3-methyl-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyanthracene-9,10-dione",C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC3=C(C(=C2)O)C(=O)C4=C(C3=O)C=C(C=C4O)C)O)O)O,"InChI=1S/C21H20O9/c1-7-3-10-14(12(22)4-7)18(26)15-11(17(10)25)5-9(6-13(15)23)30-21-20(28)19(27)16(24)8(2)29-21/h3-6,8,16,19-24,27-28H,1-2H3/t8-,16-,19+,20+,21-/m0/s1",DTTVUKLWJFJOHO-FUCRAMRQSA-N,C21H20O9,416.4,416.1107322,1.4,154,683,0,5,9,2,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 4,4'-(3,3,5-trimethylcyclohexylidene)bis-",129188-99-4,4134035,"4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol",CC1CC(CC(C1)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)(C)C,"InChI=1S/C21H26O2/c1-15-12-20(2,3)14-21(13-15,16-4-8-18(22)9-5-16)17-6-10-19(23)11-7-17/h4-11,15,22-23H,12-14H2,1-3H3",UMPGNGRIGSEMTC-UHFFFAOYSA-N,C21H26O2,310.4,310.1932801,6.3,40.5,365,0,2,2,2,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1,11c-(Epoxymethano)phenanthro(10,1-bc)pyran-5,10(3H,6ah)-dione, 1,3a,4,7,7a,11,11a,11b-octahydro-8,11a-beta-dimethyl-3-methylene-1-alpha,2-beta,11-beta-trihydroxy-",981-15-7,72965,"(1S,4R,5R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione",CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@]([C@@H](C(=C)[C@@H]4CC(=O)O3)O)(OC5)O)C)O,"InChI=1S/C20H24O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,10-11,13,15-17,23-25H,2,5-7H2,1,3H3/t10-,11-,13+,15+,16+,17+,18+,19+,20-/m0/s1",WBBVXGHSWZIJST-RLQYZCPESA-N,C20H24O7,376.4,376.1522031,-1.1,113,817,0,3,7,0,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Picrasa-3,13(21)-diene-2,16-dione, 11,2O-epoxy-1,11,12,14,15-pentahydroxy-, (1-beta,11-beta,12-alpha,15-beta)-, dihydrate",84633-29-4,13936691,"(1R,4R,5R,7R,8R,11R,13S,17S,18S,19R)-4,5,7,8,17-pentahydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione",CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@]([C@@H](C(=C)[C@@]4([C@H](C(=O)O3)O)O)O)(OC5)O)C)O,"InChI=1S/C20H24O9/c1-7-4-10(21)13(23)17(3)9(7)5-11-18-6-28-20(27,16(17)18)12(22)8(2)19(18,26)14(24)15(25)29-11/h4,9,11-14,16,22-24,26-27H,2,5-6H2,1,3H3/t9-,11+,12+,13+,14-,16+,17+,18+,19-,20-/m0/s1",UCUWZJWAQQRCOR-OKNZMGBLSA-N,C20H24O9,408.4,408.1420323,-2.8,154,896,0,5,9,0,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrimidine, 4-phenyl-",3438-48-0,18923,4-phenylpyrimidine,C1=CC=C(C=C1)C2=NC=NC=C2,InChI=1S/C10H8N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-8H,MKLQPIYLZMLAER-UHFFFAOYSA-N,C10H8N2,156.18,156.0687483,1.9,25.8,130,0,0,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Kaur-16-ene-18,19-dioic acid, 15-hydroxy-2-((2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-beta-D-glucopyranosyl)oxy)-, dipotassium salt, (2-beta,15-alpha)-",33286-30-5,20055804,"(1R,4S,7S,9S,10S,13R,15S)-15-hydroxy-7-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-4,5-disulfooxyoxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylic acid",CC(C)CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@]3([C@@H]4CC[C@@H]5C[C@@]4(CC[C@@H]3C(C2)(C(=O)O)C(=O)O)[C@H](C5=C)O)C)CO)OS(=O)(=O)O)OS(=O)(=O)O,"InChI=1S/C31H46O18S2/c1-14(2)9-21(33)47-24-23(49-51(42,43)44)22(48-50(39,40)41)18(13-32)46-26(24)45-17-11-29(4)19-6-5-16-10-30(19,25(34)15(16)3)8-7-20(29)31(12-17,27(35)36)28(37)38/h14,16-20,22-26,32,34H,3,5-13H2,1-2,4H3,(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44)/t16-,17+,18-,19+,20+,22-,23+,24-,25+,26-,29+,30-/m1/s1",AQFATIOBERWBDY-LNQSNDDKSA-N,C31H46O18S2,770.8,770.212557,0.8,304,1600,0,6,18,13,51,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"19-Norkaur-16-en-18-oic acid, 15-hydroxy-2-((2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-beta-D-glucopyranosyl)oxy)-, dipotassium salt, (2-beta,4-alpha,15-alpha)-",102130-43-8,12299879,"dipotassium;[(2S,3R,4R,5R,6R)-2-[[(1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-5-sulfonatooxyoxan-4-yl] sulfate",CC(C)CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H]2C[C@H]([C@H]3CC[C@@]45C[C@@H](CC[C@H]4[C@@]3(C2)C)C(=C)[C@@H]5O)C(=O)O)CO)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+].[K+],"InChI=1S/C30H46O16S2.2K/c1-14(2)9-22(32)44-25-24(46-48(39,40)41)23(45-47(36,37)38)20(13-31)43-28(25)42-17-10-18(27(34)35)19-7-8-30-11-16(15(3)26(30)33)5-6-21(30)29(19,4)12-17;;/h14,16-21,23-26,28,31,33H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/t16-,17-,18-,19-,20-,21+,23-,24+,25-,26+,28+,29-,30-;;/m1../s1",IUCNQFHEWLYECJ-VCQILIGCSA-L,C30H44K2O16S2,803,802.1344906,,272,1440,0,3,16,10,50,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Azabicyclo(3.1.0)hexane, 1-(3,4-dichlorophenyl)-, hydrochloride, (+)-",410074-74-7,11680542,"(1R,5S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride",C1[C@H]2[C@@]1(CNC2)C3=CC(=C(C=C3)Cl)Cl.Cl,"InChI=1S/C11H11Cl2N.ClH/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11;/h1-3,8,14H,4-6H2;1H/t8-,11+;/m1./s1",KAGBHVBIOJBGBD-NINOIYOQSA-N,C11H12Cl3N,264.6,263.003532,,12,245,0,2,1,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
5-BROMO-4-CHLORO-3-INDOLYL-BETA-D-GALACTOPYRANOSIDE,007240-90-6,65181,"(2S,3R,4S,5R,6R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol",C1=CC(=C(C2=C1NC=C2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)Cl)Br,"InChI=1S/C14H15BrClNO6/c15-5-1-2-6-9(10(5)16)7(3-17-6)22-14-13(21)12(20)11(19)8(4-18)23-14/h1-3,8,11-14,17-21H,4H2/t8-,11+,12+,13-,14-/m1/s1",OPIFSICVWOWJMJ-AEOCFKNESA-N,C14H15BrClNO6,408.63,406.97713,1.2,115,421,0,5,6,3,23,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ammonium, (4-(p-(dimethylamino)-alpha-(2-hydroxy-3,6-disulfo-1-naphthyl)benzyl",003087-16-9,91525,"sodium 4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-3-hydroxynaphthalene-2,7-disulfonate",CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+],"InChI=1S/C27H26N2O7S2.Na/c1-28(2)20-9-5-17(6-10-20)25(18-7-11-21(12-8-18)29(3)4)26-23-14-13-22(37(31,32)33)15-19(23)16-24(27(26)30)38(34,35)36;/h5-16H,1-4H3,(H2,31,32,33,34,35,36);/q;+1/p-1",WDPIZEKLJKBSOZ-UHFFFAOYSA-M,C27H25N2NaO7S2,576.6,576.1000878,,158,1140,0,1,8,3,39,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
CRESYL VIOLET 670 PERCHLORATE,041830-80-2,148425,(9-aminobenzo[a]phenoxazin-5-ylidene)azanium perchlorate,C1=CC=C2C(=C1)C(=[NH2+])C=C3C2=NC4=C(O3)C=C(C=C4)N.[O-]Cl(=O)(=O)=O,"InChI=1S/C16H11N3O.ClHO4/c17-9-5-6-13-14(7-9)20-15-8-12(18)10-3-1-2-4-11(10)16(15)19-13;2-1(3,4)5/h1-8,18H,17H2;(H,2,3,4,5)",HLHUTAPXZITNPJ-UHFFFAOYSA-N,C16H12ClN3O5,361.73,361.0465482,,147,592,0,2,7,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Pyrrolidineethanamine, beta-((2-methylpropoxy)methyl)-N-phenyl-N-(phenylmethyl)-,monohydrochloride, monohydrate",74764-40-2,91725,N-benzyl-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline;hydrate;hydrochloride,CC(C)COCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3.O.Cl,"InChI=1S/C24H34N2O.ClH.H2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22;;/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3;1H;1H2",UEECHQPWQHYEDE-UHFFFAOYSA-N,C24H37ClN2O2,421,420.2543561,,16.7,382,0,2,4,10,29,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
BISAZOBIPHENYL DYE,002893-80-3,135565556,"disodium;5-[[4-[4-[[2,4-dihydroxy-3-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate",C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C(=C(C=C3)O)N=NC4=CC=C(C=C4)S(=O)(=O)[O-])O)N=NC5=CC(=C(C=C5)O)C(=O)[O-].[Na+].[Na+],"InChI=1S/C31H22N6O8S.2Na/c38-27-15-11-23(17-25(27)31(41)42)35-32-20-5-1-18(2-6-20)19-3-7-21(8-4-19)33-36-26-14-16-28(39)29(30(26)40)37-34-22-9-12-24(13-10-22)46(43,44)45;;/h1-17,38-40H,(H,41,42)(H,43,44,45);;/q;2*+1/p-2",BNANBFLJWROFPW-UHFFFAOYSA-L,C31H20N6Na2O8S,682.6,682.0858714,,241,1170,0,3,14,7,48,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
LEAD PICRATE,025721-38-4,162344796,"bis(2,4,6-trinitrophenoxy)lead(2+);lead(2+);bis(2,4,6-trinitrophenolate)",C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O[Pb+2]OC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[Pb+2],"InChI=1S/4C6H3N3O7.2Pb/c4*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;;/h4*1-2,10H;;/q;;;;+2;+4/p-4",QXOGHOOJNRPFKA-UHFFFAOYSA-J,C24H8N12O28Pb2+2,1330,1327.9104,,614,1010,2,0,28,0,66,,,0,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"PROPANEDINITRILE, (2,4,7-TRINITRO-9H-FLUOREN-9-YLIDENE)-",001172-02-7,70894,"2-(2,4,7-trinitrofluoren-9-ylidene)propanedinitrile",C1=CC2=C(C=C1[N+](=O)[O-])C(=C(C#N)C#N)C3=C2C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C16H5N5O6/c17-6-8(7-18)15-12-3-9(19(22)23)1-2-11(12)16-13(15)4-10(20(24)25)5-14(16)21(26)27/h1-5H,POJAQDYLPYBBPG-UHFFFAOYSA-N,C16H5N5O6,363.24,363.0239829,2.4,185,800,0,0,8,0,27,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,6-BIS(PICRYLAMINO)-3,5-DINITROPYRIDINE",038082-89-2,14597089,"3,5-dinitro-2-N,6-N-bis(2,4,6-trinitrophenyl)pyridine-2,6-diamine",C1=C(C=C(C(=C1[N+](=O)[O-])NC2=C(C=C(C(=N2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C17H7N11O16/c29-21(30)6-1-8(23(33)34)14(9(2-6)24(35)36)18-16-12(27(41)42)5-13(28(43)44)17(20-16)19-15-10(25(37)38)3-7(22(31)32)4-11(15)26(39)40/h1-5H,(H2,18,19,20)",YSSXHRVRZWIAKV-UHFFFAOYSA-N,C17H7N11O16,621.3,621.0072232,4.3,404,1050,0,2,19,4,44,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"HMX, WETTED",002691-41-0,17596,"1,3,5,7-tetranitro-1,3,5,7-tetrazocane",C1N(CN(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C4H8N8O8/c13-9(14)5-1-6(10(15)16)3-8(12(19)20)4-7(2-5)11(17)18/h1-4H2,UZGLIIJVICEWHF-UHFFFAOYSA-N,C4H8N8O8,296.16,296.0465092,2.1,196,322,0,0,12,0,20,,Decomposition temperature = 280 °C,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"METHANONE, DICYCLOHEXYL-",000119-60-8,8403,dicyclohexylmethanone,C1CCC(CC1)C(=O)C2CCCCC2,"InChI=1S/C13H22O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2",TWXWPPKDQOWNSX-UHFFFAOYSA-N,C13H22O,194.31,194.1670653,4.1,17.1,165,0,0,1,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE",025015-63-8,6364989,,[B]1OC(C(O1)(C)C)(C)C,"InChI=1S/C6H12BO2/c1-5(2)6(3,4)9-7-8-5/h1-4H3",LZPWAYBEOJRFAX-UHFFFAOYSA-N,C6H12BO2,126.97,127.0930348,,18.5,106,0,0,2,0,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
CYCLOPENTANE OXIDE,000285-67-6,637977,"(1R,5S)-6-oxabicyclo[3.1.0]hexane",C1C[C@@H]2[C@H](C1)O2,"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+",GJEZBVHHZQAEDB-SYDPRGILSA-N,C5H8O,84.12,84.05751487,0.8,12.5,62,0,0,1,0,6,,,0,0,0,0,0,0,0,1,1,0,1,0,0,0,0,0,1,0,0,1
CATECHOLBORANE,000274-07-7,67506,"1,3,2-benzodioxaborole",B1OC2=CC=CC=C2O1,"InChI=1S/C6H5BO2/c1-2-4-6-5(3-1)8-7-9-6/h1-4,7H",CENMEJUYOOMFFZ-UHFFFAOYSA-N,C6H5BO2,119.92,120.0382596,,18.5,95,0,0,2,0,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
TRIMETHYLENE SULFIDE,000287-27-4,9251,thietane,C1CSC1,InChI=1S/C3H6S/c1-2-4-3-1/h1-3H2,XSROQCDVUIHRSI-UHFFFAOYSA-N,C3H6S,74.15,74.01902136,1,25.3,17,0,0,1,0,4,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
PENTAMETHYLENE SULFIDE,001613-51-0,15367,thiane,C1CCSCC1,InChI=1S/C5H10S/c1-2-4-6-5-3-1/h1-5H2,YPWFISCTZQNZAU-UHFFFAOYSA-N,C5H10S,102.2,102.0503215,1.7,25.3,30,0,0,1,0,6,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"2,2,6-TRIMETHYL-4H-1,3-DIOXIN-4-ONE",005394-63-8,79368,"2,2,6-trimethyl-1,3-dioxin-4-one",CC1=CC(=O)OC(O1)(C)C,"InChI=1S/C7H10O3/c1-5-4-6(8)10-7(2,3)9-5/h4H,1-3H3",XFRBXZCBOYNMJP-UHFFFAOYSA-N,C7H10O3,142.15,142.0629942,1.2,35.5,191,0,0,3,0,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"1,3,5-TRISILACYCLOHEXANE",000291-27-0,6329365,,C1[Si]C[Si]C[Si]1,InChI=1S/C3H6Si3/c1-4-2-6-3-5-1/h1-3H2,AQCGGWLVGXEWAN-UHFFFAOYSA-N,C3H6Si3,126.33,125.9777298,,0,21,0,0,0,0,6,,,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
OXEPANE,000592-90-5,11618,oxepane,C1CCCOCC1,InChI=1S/C6H12O/c1-2-4-6-7-5-3-1/h1-6H2,UHHKSVZZTYJVEG-UHFFFAOYSA-N,C6H12O,100.16,100.088815,1.3,9.2,37,0,0,1,0,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"MAGNESIUM, CHLOROCYCLOHEXYL-",000931-51-1,13605,magnesium;cyclohexane;chloride,C1CC[CH-]CC1.[Mg+2].[Cl-],"InChI=1S/C6H11.ClH.Mg/c1-2-4-6-5-3-1;;/h1H,2-6H2;1H;/q-1;;+2/p-1",DEDWWARPYWCXMG-UHFFFAOYSA-M,C6H11ClMg,142.91,142.0399697,,0,35,0,0,2,0,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
SABINENE,003387-41-5,18818,4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane,CC(C)C12CCC(=C)C1C2,"InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3",NDVASEGYNIMXJL-UHFFFAOYSA-N,C10H16,136.23,136.1252005,3.1,0,178,0,0,0,1,10,,,0,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,1,1,0,1
3-OXETANONE,006704-31-0,15024254,oxetan-3-one,C1C(=O)CO1,InChI=1S/C3H4O2/c4-3-1-5-2-3/h1-2H2,ROADCYAOHVSOLQ-UHFFFAOYSA-N,C3H4O2,72.06,72.02112937,-0.3,26.3,51,0,0,2,0,5,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,1,0,1
"5,5'-METHYLENEBIS-1H-BENZOTRIAZOLE",015805-10-4,85114,5-(2H-benzotriazol-5-ylmethyl)-2H-benzotriazole,C1=CC2=NNN=C2C=C1CC3=CC4=NNN=C4C=C3,"InChI=1S/C13H10N6/c1-3-10-12(16-18-14-10)6-8(1)5-9-2-4-11-13(7-9)17-19-15-11/h1-4,6-7H,5H2,(H,14,16,18)(H,15,17,19)",IWASLBFJTMJYHF-UHFFFAOYSA-N,C13H10N6,250.26,250.0966943,2,83.1,294,0,2,4,2,19,,,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0
"SILACYCLOPENTANE, 1,1-DICHLORO-",002406-33-9,75474,"1,1-dichlorosilolane",C1CC[Si](C1)(Cl)Cl,InChI=1S/C4H8Cl2Si/c5-7(6)3-1-2-4-7/h1-4H2,YMXGMEIYEGUXGT-UHFFFAOYSA-N,C4H8Cl2Si,155.09,153.9772322,,0,64,0,0,0,0,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"BICYCLO[3.1.0]HEX-2-ENE, 2-METHYL-5-(1-METHYLETHYL)-",002867-05-2,17868,2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene,CC1=CCC2(C1C2)C(C)C,"InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3",KQAZVFVOEIRWHN-UHFFFAOYSA-N,C10H16,136.23,136.1252005,2.8,0,188,0,0,0,1,10,,150.00 to 152.00 °C. @ 760.00 mm Hg,0,0,0,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0
"4,7-METHANO-2,3,8-METHENOCYCLOPENT[A]INDENE, DODECAHYDRO-",051966-13-3,47890,"hexacyclo[9.2.1.02,10.03,8.04,6.05,9]tetradecane",C1CC2CC1C3C2C4C5C3C6C4C6C5,"InChI=1S/C14H18/c1-2-6-3-5(1)9-10(6)12-7-4-8-13(11(7)9)14(8)12/h5-14H,1-4H2",YBNSWVHWZLAYSU-UHFFFAOYSA-N,C14H18,186.29,186.1408506,3.6,0,316,0,0,0,0,14,,,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
"2,2'-(1-METHYLTRIMETHYLENEDIOXY)BIS(4-METHYL-1,3,2-DIOXABORINANE)",002665-13-6,62455,"4-methyl-2-[4-[(4-methyl-1,3,2-dioxaborinan-2-yl)oxy]butan-2-yloxy]-1,3,2-dioxaborinane",B1(OCCC(O1)C)OCCC(C)OB2OCCC(O2)C,"InChI=1S/C12H24B2O6/c1-10-4-7-15-13(18-10)16-8-5-11(2)19-14-17-9-6-12(3)20-14/h10-12H,4-9H2,1-3H3",RCIYLEACODIIKU-UHFFFAOYSA-N,C12H24B2O6,285.9,286.1758988,,55.4,283,0,0,6,6,20,,,0,0,0,0,0,0,0,1,1,0,0,0,0,1,0,0,0,0,0,0
EUCALYPTOL,000470-82-6,2758,"1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane",CC1(C2CCC(O1)(CC2)C)C,"InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3",WEEGYLXZBRQIMU-UHFFFAOYSA-N,C10H18O,154.25,154.1357652,2.5,9.2,164,0,0,1,0,11,49 °C (120 °F) - closed cup,"349 to 351 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0
"1-(3-BROMOPROPYL)-2,2,5,5-TETRAMETHYL-1-AZA-2,5-DISILACYCLOPENTANE",095091-93-3,4292411,"1-(3-bromopropyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine",C[Si]1(CC[Si](N1CCCBr)(C)C)C,"InChI=1S/C9H22BrNSi2/c1-12(2)8-9-13(3,4)11(12)7-5-6-10/h5-9H2,1-4H3",BKBUBAVZGMRPAK-UHFFFAOYSA-N,C9H22BrNSi2,280.35,279.04742,,3.2,166,0,0,1,3,13,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"HEXAMETHYLBICYCLO(2.2.0)HEXA-2,5-DIENE",007641-77-2,24278,"1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexa-2,5-diene",CC1=C(C2(C1(C(=C2C)C)C)C)C,"InChI=1S/C12H18/c1-7-8(2)12(6)10(4)9(3)11(7,12)5/h1-6H3",RVNQQZMIWZPGNA-UHFFFAOYSA-N,C12H18,162.27,162.1408506,2.3,0,268,0,0,0,0,12,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
ALPHA-METHYLENE GAMMA-BUTYROLACTONE,000547-65-9,68352,3-methylideneoxolan-2-one,C=C1CCOC1=O,InChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h1-3H2,GSLDEZOOOSBFGP-UHFFFAOYSA-N,C5H6O2,98.1,98.03677943,0.8,26.3,115,0,0,2,0,7,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0
"MORPHOLINE, 4-(1-CYCLOPENTEN-1-YL)-",000936-52-7,70294,4-(cyclopenten-1-yl)morpholine,C1CC=C(C1)N2CCOCC2,"InChI=1S/C9H15NO/c1-2-4-9(3-1)10-5-7-11-8-6-10/h3H,1-2,4-8H2",VAPOFMGACKUWCI-UHFFFAOYSA-N,C9H15NO,153.22,153.1153641,1.2,12.5,159,0,0,2,1,11,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1H-INDENE, 3A,4,7,7A-TETRAHYDRO-",003048-65-5,62475,"3a,4,7,7a-tetrahydro-1H-indene",C1C=CCC2C1CC=C2,"InChI=1S/C9H12/c1-2-5-9-7-3-6-8(9)4-1/h1-3,6,8-9H,4-5,7H2",UFERIGCCDYCZLN-UHFFFAOYSA-N,C9H12,120.19,120.0939004,2.6,0,153,0,0,0,0,9,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"3(2H)-FURANONE, DIHYDRO-2-METHYL-",003188-00-9,18522,2-methyloxolan-3-one,CC1C(=O)CCO1,"InChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3",FCWYQRVIQDNGBI-UHFFFAOYSA-N,C5H8O2,100.12,100.0524295,0,26.3,88,0,0,2,0,7,,138.00 to 139.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"5-AZULENEMETHANOL, DECAHYDRO-.ALPHA.,.ALPHA.,3,8-TETRAMETHYL-, [3S-(3.ALPHA.,3",003526-75-8,107119,"2-(3,8-dimethyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-5-yl)propan-2-ol",CC1CCC(CC2C1CCC2C)C(C)(C)O,"InChI=1S/C15H28O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h10-14,16H,5-9H2,1-4H3",PAFKTNNJJBQVBA-UHFFFAOYSA-N,C15H28O,224.38,224.2140155,4.4,20.2,246,0,1,1,1,16,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"CYCLOPENTASILOXANE, 2,4,6,8,10-PENTAMETHYL-",006166-86-5,6327588,,C[Si]1O[Si](O[Si](O[Si](O[Si](O1)C)C)C)C,InChI=1S/C5H15O5Si5/c1-11-6-12(2)8-14(4)10-15(5)9-13(3)7-11/h1-5H3,PUNGSQUVTIDKNU-UHFFFAOYSA-N,C5H15O5Si5,295.59,294.9765813,,46.2,130,0,0,5,0,15,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"PYRROLIDINE, 1-(1-CYCLOPENTEN-1-YL)-",007148-07-4,81570,1-(cyclopenten-1-yl)pyrrolidine,C1CCN(C1)C2=CCCC2,"InChI=1S/C9H15N/c1-2-6-9(5-1)10-7-3-4-8-10/h5H,1-4,6-8H2",KOFSFYBXUYHNJL-UHFFFAOYSA-N,C9H15N,137.22,137.1204495,2.1,3.2,143,0,0,1,1,10,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,2-DICARBADODECABORANE(12), 1-HEXYL-",020740-05-0,138398515,,[B]1[B][B][B]C2[B][B][B]C2([B][B][B]1)CCCCCC,"InChI=1S/C8H14B10/c1-2-3-4-5-6-8-7(9-13-11-8)10-14-16-18-17-15-12-8/h7H,2-6H2,1H3",MNOCMHWTJIZAGO-UHFFFAOYSA-N,C8H14B10,218.3,218.209865,,0,238,0,0,0,5,18,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"4H-1,3-OXAZINE, 5,6-DIHYDRO-2,4,4,6-TETRAMETHYL-",026939-18-4,117338,"2,4,4,6-tetramethyl-5,6-dihydro-1,3-oxazine",CC1CC(N=C(O1)C)(C)C,"InChI=1S/C8H15NO/c1-6-5-8(3,4)9-7(2)10-6/h6H,5H2,1-4H3",LZSGJOXDYPFFQB-UHFFFAOYSA-N,C8H15NO,141.21,141.1153641,1.2,21.6,161,0,0,2,0,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"1,3-OXATHIANE, 2-METHYL-4-PROPYL-, TRANS-",059324-17-3,6931726,"(2R,4R)-2-methyl-4-propyl-1,3-oxathiane",CCC[C@@H]1CCO[C@H](S1)C,"InChI=1S/C8H16OS/c1-3-4-8-5-6-9-7(2)10-8/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1",GKGOLPMYJJXRGD-HTQZYQBOSA-N,C8H16OS,160.28,160.0921863,2.7,34.5,95,0,0,2,2,10,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0
COPPER NAPHTHENATE,001338-02-9,71586776,copper;3-(4-ethylcyclohexyl)propanoate;3-(3-ethylcyclopentyl)propanoate,CCC1CCC(CC1)CCC(=O)[O-].CCC1CCC(C1)CCC(=O)[O-].[Cu+2],"InChI=1S/C11H20O2.C10H18O2.Cu/c1-2-9-3-5-10(6-4-9)7-8-11(12)13;1-2-8-3-4-9(7-8)5-6-10(11)12;/h9-10H,2-8H2,1H3,(H,12,13);8-9H,2-7H2,1H3,(H,11,12);/q;;+2/p-2",SEVNKWFHTNVOLD-UHFFFAOYSA-L,C21H36CuO4,416.1,415.190957,,80.3,300,0,0,4,6,26,,,1,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0
(+)-AROMADENDRENE,000489-39-4,11095734,"(1aR,4aR,7R,7aR,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene",C[C@@H]1CC[C@@H]2[C@@H]1[C@H]3[C@H](C3(C)C)CCC2=C,"InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10-,11+,12-,13-,14-/m1/s1",ITYNGVSTWVVPIC-XVIXHAIJSA-N,C15H24,204.35,204.1878008,4.7,0,299,0,0,0,0,15,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,2-DIHYDRONAPHTHALENE",000447-53-0,9938,"1,2-dihydronaphthalene",C1CC2=CC=CC=C2C=C1,"InChI=1S/C10H10/c1-2-6-10-8-4-3-7-9(10)5-1/h1-3,5-7H,4,8H2",KEIFWROAQVVDBN-UHFFFAOYSA-N,C10H10,130.19,130.0782503,3.2,0,135,0,0,0,0,10,,,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0
(TRANS)-2-CYCLOPROPYLVINYLBORONIC ACID PINACOL ESTER,849061-99-0,16217940,"2-[(E)-2-cyclopropylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane",B1(OC(C(O1)(C)C)(C)C)/C=C/C2CC2,"InChI=1S/C11H19BO2/c1-10(2)11(3,4)14-12(13-10)8-7-9-5-6-9/h7-9H,5-6H2,1-4H3/b8-7+",FCWYPDPDAZGFRJ-BQYQJAHWSA-N,C11H19BO2,194.08,194.14781,,18.5,238,0,0,2,2,14,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,3-DICYCLOHEXYLUREA",002387-23-7,4277,"1,3-dicyclohexylurea",C1CCC(CC1)NC(=O)NC2CCCCC2,"InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)",ADFXKUOMJKEIND-UHFFFAOYSA-N,C13H24N2O,224.34,224.1888634,3,41.1,196,0,2,1,2,16,,,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"N,N'-DI(2,4-DNP)-L-LYSINE",001655-49-8,96818,"(2S)-2,6-bis(2,4-dinitroanilino)hexanoic acid",C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCCC[C@@H](C(=O)O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C18H18N6O10/c25-18(26)15(20-14-7-5-12(22(29)30)10-17(14)24(33)34)3-1-2-8-19-13-6-4-11(21(27)28)9-16(13)23(31)32/h4-7,9-10,15,19-20H,1-3,8H2,(H,25,26)/t15-/m0/s1",XFVSVNWYIWINEC-HNNXBMFYSA-N,C18H18N6O10,478.4,478.1084408,4.7,245,760,0,3,12,9,34,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
PYRIDINIUM DICHROMATE,020039-37-6,159879,hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;bis(pyridine),C1=CC=NC=C1.C1=CC=NC=C1.O[Cr](=O)(=O)O[Cr](=O)(=O)O,InChI=1S/2C5H5N.2Cr.2H2O.5O/c2*1-2-4-6-5-3-1;;;;;;;;;/h2*1-5H;;;2*1H2;;;;;/q;;2*+1;;;;;;;/p-2,RCBVKBFIWMOMHF-UHFFFAOYSA-L,C10H12Cr2N2O7,376.2,375.94546,,144,252,0,2,9,2,21,,,1,0,0,0,1,1,1,1,0,1,0,0,0,0,0,0,1,1,0,0
9-BORABICYCLO(3.3.1)NONANE DIMER,021205-91-4,11322441,9-(9-borabicyclo[3.3.1]nonan-9-yl)-9-borabicyclo[3.3.1]nonane,B1(C2CCCC1CCC2)B3C4CCCC3CCC4,"InChI=1S/C16H28B2/c1-5-13-7-2-8-14(6-1)17(13)18-15-9-3-10-16(18)12-4-11-15/h13-16H,1-12H2",IYDIZBOKVLHCQZ-UHFFFAOYSA-N,C16H28B2,242,242.2377112,,0,229,0,0,0,1,18,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"1,1,2-TRIMETHYL-3-(4-SULFOBUTYL)-1H-BENZ[E]INDOLIUM, INNER SALT",063149-24-6,113092,"4-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)butane-1-sulfonate",CC1=[N+](C2=C(C1(C)C)C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-],"InChI=1S/C19H23NO3S/c1-14-19(2,3)18-16-9-5-4-8-15(16)10-11-17(18)20(14)12-6-7-13-24(21,22)23/h4-5,8-11H,6-7,12-13H2,1-3H3",GJCURKVOCXJAIV-UHFFFAOYSA-N,C19H23NO3S,345.5,345.1398648,2.9,68.6,589,0,0,3,4,24,,,0,0,0,1,0,0,1,1,0,1,0,0,0,0,0,0,1,1,0,1
Tris(isopropylcyclopentadienyl)cerium,122528-16-9,102601584,,CC(C)C1=CC=C[CH]1.CC(C)C1=CC=C[CH]1.CC(C)C1=CC=C[CH]1.[Ce],"InChI=1S/3C8H11.Ce/c3*1-7(2)8-5-3-4-6-8;/h3*3-7H,1-2H3;",NBVPNPPIUYKBCY-UHFFFAOYSA-N,C24H33Ce,461.6,461.16367,,0,115,0,0,0,3,25,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
BIS(TRICYCLOHEXYLPHOSPHINE)PALLADIUM (O),033309-88-5,2734559,palladium;bis(tricyclohexylphosphane),C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.[Pd],"InChI=1S/2C18H33P.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h2*16-18H,1-15H2;",JGBZTJWQMWZVNX-UHFFFAOYSA-N,C36H66P2Pd,667.3,666.36746,,0,202,0,0,0,6,39,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
PHOSPHORUS SESQUISULFIDE,001314-85-8,14818,"3,5,7-trithia-1,2,4,6-tetraphosphatricyclo[2.2.1.02,6]heptane",P12P3P1SP(S2)S3,InChI=1S/P4S3/c5-1-2-3(1)7-4(5)6-2,RWQFRHVDPXXRQN-UHFFFAOYSA-N,P4S3,220.1,219.8112615,0.9,75.9,94,0,0,3,0,7,,407.5 °C,1,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"1,3-BIS(2,4,6-TRIMETHYLPHENYL)IMIDAZOL-2-YLIDENE",141556-42-5,11123757,"1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-1-ium-2-ide",CC1=CC(=C(C(=C1)C)N2C=C[N+](=[C-]2)C3=C(C=C(C=C3C)C)C)C,"InChI=1S/C21H24N2/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6/h7-12H,1-6H3",JCYWCSGERIELPG-UHFFFAOYSA-N,C21H24N2,304.4,304.1939488,5.6,6.3,414,0,0,1,2,23,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
GRUBBS CATALYST M202,536724-67-1,72376333,"[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-(3-phenylinden-1-ylidene)ruthenium;tricyclohexylphosphane",CC1=CC(=C(C(=C1)C)N2CCN(C2=[Ru](=C3C=C(C4=CC=CC=C43)C5=CC=CC=C5)(Cl)Cl)C6=C(C=C(C=C6C)C)C)C.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3,"InChI=1S/C21H26N2.C18H33P.C15H10.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;;;/h9-12H,7-8H2,1-6H3;16-18H,1-15H2;1-9,11H;2*1H;/q;;;;;+2/p-2",MCNUJWCJGIGFBS-UHFFFAOYSA-L,C54H69Cl2N2PRu,949.1,948.361883,,6.5,1240,0,0,2,6,60,,,0,1,1,1,0,0,1,1,0,1,0,0,0,0,0,0,1,0,0,0
HOVEYDA-GRUBBS CATALYST 1ST GENERATION,203714-71-0,10941020,dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;tricyclohexylphosphane,CC(C)OC1=CC=CC=C1C=[Ru](Cl)Cl.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3,"InChI=1S/C18H33P.C10H12O.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(2)11-10-7-5-4-6-9(10)3;;;/h16-18H,1-15H2;3-8H,1-2H3;2*1H;/q;;;;+2/p-2",KMKCJXPECJFQPQ-UHFFFAOYSA-L,C28H45Cl2OPRu,600.6,600.162849,,9.2,404,0,0,1,6,33,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"DICHLORO[1,3-BIS(2,4,6-TRIMETHYLPHENYL)-2-IMIDAZOLIDINYLIDENE](3-METHYL-2-BUTENYLIDENE) (TRICYCLOHEXYLPHOSPHINE)RUTHENIUM(II)",253688-91-4,11343397,"[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-(3-methylbut-2-enylidene)ruthenium;tricyclohexylphosphane",CC1=CC(=C(C(=C1)C)N2CCN(C2=[Ru](=CC=C(C)C)(Cl)Cl)C3=C(C=C(C=C3C)C)C)C.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3,"InChI=1S/C21H26N2.C18H33P.C5H8.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-5(2)3;;;/h9-12H,7-8H2,1-6H3;16-18H,1-15H2;1,4H,2-3H3;2*1H;/q;;;;;+2/p-2",LCOFYVWULBZOTA-UHFFFAOYSA-L,C44H67Cl2N2PRu,827,826.346233,,6.5,923,0,0,2,6,50,,,0,1,1,1,0,0,1,1,0,1,0,0,0,0,0,0,1,0,0,0
"2,5-CYCLOHEXADIENE-1,4-DIONE, BIS(O-BENZOYLOXIME)",000120-52-5,67122,"[(4-benzoyloxyiminocyclohexa-2,5-dien-1-ylidene)amino] benzoate",C1=CC=C(C=C1)C(=O)ON=C2C=CC(=NOC(=O)C3=CC=CC=C3)C=C2,InChI=1S/C20H14N2O4/c23-19(15-7-3-1-4-8-15)25-21-17-11-13-18(14-12-17)22-26-20(24)16-9-5-2-6-10-16/h1-14H,WMVSVUVZSYRWIY-UHFFFAOYSA-N,C20H14N2O4,346.3,346.0953569,4.1,77.3,564,0,0,6,6,26,,,0,1,1,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"Theophylline, 7-(3-((2-(3,5-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-, hy",013055-82-8,3032600,"7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione;hydrochloride",CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNCC(C3=CC(=CC(=C3)O)O)O.Cl,"InChI=1S/C18H23N5O5.ClH/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11;/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3;1H",XSFWDHONRBZVEJ-UHFFFAOYSA-N,C18H24ClN5O5,425.9,425.1465966,,131,569,0,5,7,7,29,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"1-TRIAZENE, 1-(4-METHYLPHENYL)-3-(PHENYLMETHYL)-",017683-09-9,87234,N-(benzyldiazenyl)-4-methylaniline,CC1=CC=C(C=C1)NN=NCC2=CC=CC=C2,"InChI=1S/C14H15N3/c1-12-7-9-14(10-8-12)16-17-15-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,15,16)",IWCGEJKKDAJKJE-UHFFFAOYSA-N,C14H15N3,225.29,225.1265975,4.3,36.8,226,0,1,3,4,17,,,0,1,1,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"1-NAPHTHALENESULFONIC ACID, 6-DIAZO-5,6-DIHYDRO-5-OXO-, ESTER WITH PHENYL(2,3,",068510-93-0,110384,"[4-(2,3,4-trihydroxybenzoyl)phenyl] 6-(diazenyldiazenyl)-5-oxo-8H-naphthalene-1-sulfonate",C1C=C(C(=O)C2=C1C(=CC=C2)S(=O)(=O)OC3=CC=C(C=C3)C(=O)C4=C(C(=C(C=C4)O)O)O)N=NN=N,"InChI=1S/C23H16N4O8S/c24-26-27-25-17-10-8-14-15(21(17)30)2-1-3-19(14)36(33,34)35-13-6-4-12(5-7-13)20(29)16-9-11-18(28)23(32)22(16)31/h1-7,9-11,24,28,31-32H,8H2",WVRFNJXNBZHDGZ-UHFFFAOYSA-N,C23H16N4O8S,508.5,508.0688847,5.6,208,1020,0,4,12,7,36,,,0,0,0,0,0,0,1,0,0,1,0,0,1,0,0,1,1,0,0,0
"1-NAPHTHALENESULFONIC ACID, 6-DIAZO-5,6-DIHYDRO-5-OXO-, ESTER WITH (2,4-DIHYDR",124364-82-5,44148624,"2-diazonio-5-sulfonaphthalen-1-olate;(2,4-dihydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone",C1=CC2=C(C=CC(=C2[O-])[N+]#N)C(=C1)S(=O)(=O)O.C1=CC(=C(C=C1O)O)C(=O)C2=C(C(=C(C=C2)O)O)O,"InChI=1S/C13H10O6.C10H6N2O4S/c14-6-1-2-7(10(16)5-6)11(17)8-3-4-9(15)13(19)12(8)18;11-12-8-5-4-6-7(10(8)13)2-1-3-9(6)17(14,15)16/h1-5,14-16,18-19H;1-5H,(H-,13,14,15,16)",LTRDCMJBQXPFIS-UHFFFAOYSA-N,C23H16N2O10S,512.4,512.0525659,,232,768,0,6,11,3,36,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"TITANIUM, BIS(.ETA.5-2,4-CYCLOPENTADIEN-1-YL)BIS[2,6-DIFLUORO-3-(1H-PYRROL-1-Y",125051-32-3,15250611,"bis(cyclopenta-1,3-diene);bis(1-(2,4-difluorobenzene-3-id-1-yl)pyrrole);titanium(4+)",[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=CN(C=C1)C2=C([C-]=C(C=C2)F)F.C1=CN(C=C1)C2=C([C-]=C(C=C2)F)F.[Ti+4],InChI=1S/2C10H6F2N.2C5H5.Ti/c2*11-8-3-4-10(9(12)7-8)13-5-1-2-6-13;2*1-2-4-5-3-1;/h2*1-6H;2*1-5H;/q4*-1;+4,SGDRCQUOEUBVMV-UHFFFAOYSA-N,C30H22F4N2Ti,534.4,534.119852,,9.9,796,0,0,8,2,37,,,0,0,0,0,0,0,1,0,0,1,0,0,0,1,0,0,0,0,1,0
DIPHENYLZINC,001078-58-6,101282607,,C1=CC=[C]C=C1.C1=CC=[C]C=C1.[Zn],InChI=1S/2C6H5.Zn/c2*1-2-4-6-5-3-1;/h2*1-5H;,MKRVHLWAVKJBFN-UHFFFAOYSA-N,C12H10Zn,219.6,218.007392,,0,27,0,0,0,0,13,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"Tris(1,2,3,4-tetramethyl-2,4-cyclopentadienyl)cerium (III)",251984-08-4,74765423,"cerium(3+);tris(1,2,3,5-tetramethylcyclopenta-1,3-diene)",CC1[C-]=C(C(=C1C)C)C.CC1[C-]=C(C(=C1C)C)C.CC1[C-]=C(C(=C1C)C)C.[Ce+3],"InChI=1S/3C9H13.Ce/c3*1-6-5-7(2)9(4)8(6)3;/h3*6H,1-4H3;/q3*-1;+3",WGYOUFHIZLBQLJ-UHFFFAOYSA-N,C27H39Ce,503.7,503.21062,,0,182,0,0,3,0,28,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
GRUBBS CATALYST M206,373640-75-6,91992466,"benzylidene(dichloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;tricyclohexylphosphane",CC(C)C1=C(C(=CC=C1)C(C)C)N2CCN([CH-]2)C3=C(C=CC=C3C(C)C)C(C)C.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C1=CC=C(C=C1)C=[Ru](Cl)Cl,"InChI=1S/C27H39N2.C18H33P.C7H6.2ClH.Ru/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;;/h9-14,17-21H,15-16H2,1-8H3;16-18H,1-15H2;1-6H;2*1H;/q-1;;;;;+2/p-2",RCQMLRXRUJVHKC-UHFFFAOYSA-L,C52H78Cl2N2PRu-,934.1,933.432308,,6.5,746,-1,0,3,10,58,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"BENZOTHIAZOLE, 2-[(2,4-DINITROPHENYL)THIO]-",004230-91-5,77908,"2-(2,4-dinitrophenyl)sulfanyl-1,3-benzothiazole",C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C13H7N3O4S2/c17-15(18)8-5-6-12(10(7-8)16(19)20)22-13-14-9-3-1-2-4-11(9)21-13/h1-7H,RCPUUVXIUIWMEE-UHFFFAOYSA-N,C13H7N3O4S2,333.3,332.9877981,4.4,158,442,0,0,7,2,22,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"CYCLOHEXANONE, 2,6-BIS[(4-AZIDOPHENYL)METHYLENE]-",020237-98-3,5379057,"(2E,6E)-2,6-bis[(4-azidophenyl)methylidene]cyclohexan-1-one",C1C/C(=C\C2=CC=C(C=C2)N=[N+]=[N-])/C(=O)/C(=C/C3=CC=C(C=C3)N=[N+]=[N-])/C1,"InChI=1S/C20H16N6O/c21-25-23-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)27)13-15-6-10-19(11-7-15)24-26-22/h4-13H,1-3H2/b16-12+,17-13+",UZNOMHUYXSAUPB-UNZYHPAISA-N,C20H16N6O,356.4,356.1385592,6.9,45.8,640,0,0,5,4,27,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"2,3-DIAZABICYCLO[3.2.2]NON-2-ENE, 1,4,4-TRIMETHYL-, 2,3-DIOXIDE",034122-40-2,118132,"1,4,4-trimethyl-2-oxido-2-aza-3-azoniabicyclo[3.2.2]nonane 3-oxide",CC1(C2CCC(CC2)(N([N+]1=O)[O-])C)C,"InChI=1S/C10H18N2O2/c1-9(2)8-4-6-10(3,7-5-8)12(14)11(9)13/h8H,4-7H2,1-3H3",JTSXFTWPBWFCPA-UHFFFAOYSA-N,C10H18N2O2,198.26,198.1368278,1.5,46.4,267,0,0,3,0,14,,,0,0,0,1,0,0,1,1,0,1,0,0,0,0,0,0,0,0,0,0
TRIETHYLENEDIAMINE,000280-57-9,9237,"1,4-diazabicyclo[2.2.2]octane",C1CN2CCN1CC2,InChI=1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2,IMNIMPAHZVJRPE-UHFFFAOYSA-N,C6H12N2,112.17,112.1000484,-0.2,6.5,61,0,0,2,0,8,62 °C,174 °C,0,0,0,1,0,0,1,1,0,1,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANOL, 1-[(1-HYDROPEROXYCYCLOHEXYL)DIOXY]-",000078-18-2,6521,1-(1-hydroperoxycyclohexyl)peroxycyclohexan-1-ol,C1CCC(CC1)(O)OOC2(CCCCC2)OO,"InChI=1S/C12H22O5/c13-11(7-3-1-4-8-11)16-17-12(15-14)9-5-2-6-10-12/h13-14H,1-10H2",UICXTANXZJJIBC-UHFFFAOYSA-N,C12H22O5,246.3,246.1467238,2.3,68.2,231,0,2,5,4,17,"315 °F Combustible solution) (dibutyl phthalate) (USCG, 1999)",,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1,1,0,0,0
"1,1'-AZOBIS(CYCLOHEXANECARBONITRILE)",002094-98-6,74978,1-[(1-cyanocyclohexyl)diazenyl]cyclohexane-1-carbonitrile,C1CCC(CC1)(C#N)N=NC2(CCCCC2)C#N,InChI=1S/C14H20N4/c15-11-13(7-3-1-4-8-13)17-18-14(12-16)9-5-2-6-10-14/h1-10H2,KYIKRXIYLAGAKQ-UHFFFAOYSA-N,C14H20N4,244.34,244.1687967,3.4,72.3,368,0,0,4,2,18,,,0,0,1,0,0,0,1,1,0,0,0,0,1,0,0,1,1,0,0,1
"NEODECANEPEROXOIC ACID, 1,1,3,3-TETRAMETHYLBUTYL ESTER",051240-95-0,6452377,"2,4,4-trimethylpentan-2-yl 3-(5,5-dimethylhexyl)dioxirane-3-carboxylate",CC(C)(C)CCCCC1(OO1)C(=O)OC(C)(C)CC(C)(C)C,"InChI=1S/C18H34O4/c1-15(2,3)11-9-10-12-18(21-22-18)14(19)20-17(7,8)13-16(4,5)6/h9-13H2,1-8H3",CRJIYMRJTJWVLU-UHFFFAOYSA-N,C18H34O4,314.5,314.2457096,6,51.4,381,0,0,4,10,22,,,0,0,0,0,1,0,0,0,0,0,0,0,1,1,0,1,1,0,0,0
DYE II,109125-51-1,156025076,"azanium;chromium(3+);bis(1-[(3,5-dinitro-2-oxidophenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate)",C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2[O-])N=NC4=C(C(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])[O-].C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2[O-])N=NC4=C(C(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])[O-].[NH4+].[Cr+3],"InChI=1S/2C23H15N5O7.Cr.H3N/c2*29-21-17(23(31)24-14-7-2-1-3-8-14)10-13-6-4-5-9-16(13)20(21)26-25-18-11-15(27(32)33)12-19(22(18)30)28(34)35;;/h2*1-12,29-30H,(H,24,31);;1H3/q;;+3;/p-3",RDDMCPMQDAUNRT-UHFFFAOYSA-K,C46H30CrN11O14,1012.8,1012.137874,,384,809,0,3,18,8,72,,,1,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0,0
LITHIUM DICYCLOHEXYLAMIDE,004111-55-1,10932176,lithium dicyclohexylazanide,[Li+].C1CCC(CC1)[N-]C2CCCCC2,"InChI=1S/C12H22N.Li/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h11-12H,1-10H2;/q-1;+1",HTZGVHYSMVGNOV-UHFFFAOYSA-N,C12H22LiN,187.3,187.1912281,,1,121,0,0,1,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHOSPHORUS, MOL. (P4)",012185-10-3,123286,"1,2,3,4-tetraphosphatricyclo[1.1.0.02,4]butane",P12P3P1P23,InChI=1S/P4/c1-2-3(1)4(1)2,OBSZRRSYVTXPNB-UHFFFAOYSA-N,P4,123.895048,123.895048,-0.5,0,43,0,0,0,0,4,,536 °F,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
9-BORABICYLO(3.3.1)NONANE,000280-64-8,78966,9-borabicyclo[3.3.1]nonane,B1C2CCCC1CCC2,"InChI=1S/C8H15B/c1-3-7-5-2-6-8(4-1)9-7/h7-9H,1-6H2",FEJUGLKDZJDVFY-UHFFFAOYSA-N,C8H15B,122.02,122.1266806,,0,80,0,0,0,0,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRICYCLOHEXYLPHOSPHINE,002622-14-2,75806,tricyclohexylphosphane,C1CCC(CC1)P(C2CCCCC2)C3CCCCC3,"InChI=1S/C18H33P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15H2",WLPUWLXVBWGYMZ-UHFFFAOYSA-N,C18H33P,280.4,280.2319881,5.4,0,202,0,0,0,3,19,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
CELLULOSE ACETATE HYDROGEN PHTHALATE,009004-38-0,53315792,"2-[(2R,3R,4S,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4S,5R,6R)-2-(acetyloxymethyl)-5-(2-carboxybenzoyl)oxy-4,6-dihydroxyoxan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxycarbonylbenzoic acid",CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)OC(=O)C3=CC=CC=C3C(=O)O)O)COC(=O)C)O)OC(=O)C4=CC=CC=C4C(=O)O)O,"InChI=1S/C32H34O19/c1-13(33)45-11-19-21(35)25(49-29(42)17-9-5-3-7-15(17)27(38)39)23(37)32(48-19)51-24-20(12-46-14(2)34)47-31(44)26(22(24)36)50-30(43)18-10-6-4-8-16(18)28(40)41/h3-10,19-26,31-32,35-37,44H,11-12H2,1-2H3,(H,38,39)(H,40,41)/t19-,20-,21-,22+,23-,24-,25+,26-,31-,32+/m1/s1",DMNFZTKVDDFCQE-WJXNTJCASA-N,C32H34O19,722.6,722.1694289,-0.6,288,1270,0,6,19,16,51,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SODIUM, 2,4-CYCLOPENTADIEN-1-YL-",004984-82-1,78681,"sodium cyclopenta-1,3-diene",[CH-]1C=CC=C1.[Na+],InChI=1S/C5H5.Na/c1-2-4-5-3-1;/h1-5H;/q-1;+1,OHUVHDUNQKJDKW-UHFFFAOYSA-N,C5H5Na,88.08,88.02889444,,0,23,0,0,1,0,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,4-BIS(4-METHOXYPHENYL)-1,3-DITHIA-2,4-DIPHOSPHETANE-2,4-DISULFIDE",019172-47-5,87949,"2,4-bis(4-methoxyphenyl)-2,4-bis(sulfanylidene)-1,3,2lambda5,4lambda5-dithiadiphosphetane",COC1=CC=C(C=C1)P2(=S)SP(=S)(S2)C3=CC=C(C=C3)OC,"InChI=1S/C14H14O2P2S4/c1-15-11-3-7-13(8-4-11)17(19)21-18(20,22-17)14-9-5-12(16-2)6-10-14/h3-10H,1-2H3",CFHGBZLNZZVTAY-UHFFFAOYSA-N,C14H14O2P2S4,404.5,403.9351884,6.1,133,425,0,0,6,4,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PHENANTHRIDINIUM,061926-22-5,44224062,"5-[3-[2-[3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propylamino]ethylamino]propyl]-6-methylphenanthridin-5-ium-3,8-diamine;hydron;tetrachloride",[H+].[H+].CC1=C2C=C(C=CC2=C3C=CC(=CC3=[N+]1CCCNCCNCCC[N+]4=C5C=C(C=CC5=C6C=CC(=CC6=C4C7=CC=CC=C7)N)N)N)N.[Cl-].[Cl-].[Cl-].[Cl-],"InChI=1S/C41H44N8.4ClH/c1-27-37-23-29(42)9-13-33(37)35-15-11-31(44)25-39(35)48(27)21-5-17-46-19-20-47-18-6-22-49-40-26-32(45)12-16-36(40)34-14-10-30(43)24-38(34)41(49)28-7-3-2-4-8-28;;;;/h2-4,7-16,23-26,44-47H,5-6,17-22,42-43H2,1H3;4*1H",GTSMOYLSFUBTMV-UHFFFAOYSA-N,C41H48Cl4N8,794.7,794.272654,,136,1010,0,8,10,12,53,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CALCIUM BOROHYDRIDE BIS(TETRAHYDROFURAN),304903-80-8,15900225,calcium;boranuide;oxolane,[BH4-].[BH4-].C1CCOC1.C1CCOC1.[Ca+2],InChI=1S/2C4H8O.2BH4.Ca/c2*1-2-4-5-3-1;;;/h2*1-4H2;2*1H4;/q;;2*-1;+2,QNDQIIWFODWXIW-UHFFFAOYSA-N,C8H24B2CaO2,214,214.1588312,,18.5,22,0,0,4,0,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"ZIRCONIUM, DICHLOROBIS[(1,2,3,3A,7A-.ETA.)-1H-INDEN-1-YL]-",012148-49-1,15789605,dichlorozirconium(2+);bis(1H-inden-1-ide),[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.Cl[Zr+2]Cl,InChI=1S/2C9H7.2ClH.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;;;/h2*1-7H;2*1H;/q2*-1;;;+4/p-2,OLWNTZDHHWRPPI-UHFFFAOYSA-L,C18H14Cl2Zr,392.4,389.951955,,0,246,0,0,2,0,21,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"1H-1,2,4-Triazole-1-ethanamidothioic acid, N-(2,4-dichlorophenyl)-, (4-chlorop",086598-92-7,93483,"(4-chlorophenyl)methyl N-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanimidothioate",C1=CC(=CC=C1CSC(=NC2=C(C=C(C=C2)Cl)Cl)CN3C=NC=N3)Cl,"InChI=1S/C17H13Cl3N4S/c18-13-3-1-12(2-4-13)9-25-17(8-24-11-21-10-22-24)23-16-6-5-14(19)7-15(16)20/h1-7,10-11H,8-9H2",AGKSTYPVMZODRV-UHFFFAOYSA-N,C17H13Cl3N4S,411.7,409.992651,5.8,68.4,446,0,0,4,6,25,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,1,1,1
COMPRESSED AIR (BREATHING AIR),132259-10-0,195130,"(2R)-4-methyl-2-propan-2-yl-2-[2-[4-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-1-yl]butoxy]phenyl]-1,4-benzothiazin-3-one;dihydrochloride",CC(C)[C@]1(C(=O)N(C2=CC=CC=C2S1)C)C3=CC=CC=C3OCCCCN4CCN(CC4)CCC5=CC(=C(C(=C5)OC)OC)OC.Cl.Cl,"InChI=1S/C37H49N3O5S.2ClH/c1-27(2)37(36(41)38(3)30-14-8-10-16-34(30)46-37)29-13-7-9-15-31(29)45-24-12-11-18-39-20-22-40(23-21-39)19-17-28-25-32(42-4)35(44-6)33(26-28)43-5;;/h7-10,13-16,25-27H,11-12,17-24H2,1-6H3;2*1H/t37-;;/m1../s1",HQTMLRUQTHILKM-CHKASDEDSA-N,C37H51Cl2N3O5S,720.8,719.2926483,,89,921,0,2,8,14,48,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,1-DIETHYL-2,2-CYANINE IODIDE",000977-96-8,5484462,(2E)-1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline iodide,CCN1/C(=C/C2=[N+](C3=CC=CC=C3C=C2)CC)/C=CC4=CC=CC=C41.[I-],"InChI=1S/C23H23N2.HI/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1",GMYRVMSXMHEDTL-UHFFFAOYSA-M,C23H23IN2,454.3,454.0906,,7.1,464,0,0,2,3,26,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHYSOSTIGMINE SULFATE,000064-47-1,6419928,"bis([(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate);sulfuric acid",C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC)C)C.C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC)C)C.OS(=O)(=O)O,"InChI=1S/2C15H21N3O2.H2O4S/c2*1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;1-5(2,3)4/h2*5-6,9,13H,7-8H2,1-4H3,(H,16,19);(H2,1,2,3,4)/t2*13-,15+;/m11./s1",YYBNDIVPHIWTPK-KYJQVDHRSA-N,C30H44N6O8S,648.8,648.2941336,,173,484,0,4,12,4,45,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MITOMYCIN C,000050-07-7,5746,"[(4S,6S,7R,8S)-11-amino-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate",CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N,"InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1",NWIBSHFKIJFRCO-WUDYKRTCSA-N,C15H18N4O5,334.33,334.1277197,-0.4,147,757,0,3,8,4,24,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
NYSTATIN,001400-61-9,6433272,"(1S,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E)-33-[(2S,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid",C[C@H]1/C=C/C=C/CC/C=C/C=C/C=C/C=C/C(CC2C(C(C[C@](O2)(CC(C(CCC(CC(CC(CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O,"InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31?,32?,33?,34?,35?,36?,37?,38?,40?,41-,42+,43+,44-,46+,47+/m0/s1",VQOXZBDYSJBXMA-RKEBNKJGSA-N,C47H75NO17,926.1,925.5034999,-0.2,320,1620,0,12,18,3,65,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1
CYCLOHEXIMIDE,000066-81-9,6197,"4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione",C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C,"InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1",YPHMISFOHDHNIV-FSZOTQKASA-N,C15H23NO4,281.35,281.1627082,0.5,83.5,404,0,2,4,3,20,,,0,0,0,1,0,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0
OXOTREMORINE,000070-22-4,4630,1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one,C1CCN(C1)CC#CCN2CCCC2=O,"InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2",RSDOPYMFZBJHRL-UHFFFAOYSA-N,C12H18N2O,206.28,206.1419132,0.4,23.6,293,0,0,2,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
CRYPTOCYANINE,004727-50-8,5351156,(4E)-1-ethyl-4-[(E)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline iodide,CCN1C=C/C(=C\C=C\C2=CC=[N+](C3=CC=CC=C23)CC)/C4=CC=CC=C41.[I-],"InChI=1S/C25H25N2.HI/c1-3-26-18-16-20(22-12-5-7-14-24(22)26)10-9-11-21-17-19-27(4-2)25-15-8-6-13-23(21)25;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1",CEJANLKHJMMNQB-UHFFFAOYSA-M,C25H25IN2,480.4,480.10625,,7.1,527,0,0,2,4,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHYSOSTIGMINE,000057-47-6,5983,"[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate",C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC)C)C,"InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1",PIJVFDBKTWXHHD-HIFRSBDPSA-N,C15H21N3O2,275.35,275.1633769,0.7,44.8,403,0,1,4,2,20,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
NEO-SAXITOXIN,064296-20-4,21117946,"[(3aS,4R,10aS)-2-amino-5,10,10-trihydroxy-6-imino-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate",C1CN2C(=N)N([C@H]([C@H]3[C@]2(C1(O)O)NC(=N3)N)COC(=O)N)O,"InChI=1S/C10H17N7O5/c11-6-14-5-4(3-22-8(13)18)17(21)7(12)16-2-1-9(19,20)10(5,16)15-6/h4-5,12,19-21H,1-3H2,(H2,13,18)(H3,11,14,15)/t4-,5-,10-/m0/s1",PPEKGEBBBBNZKS-HGRQIUPRSA-N,C10H17N7O5,315.29,315.1291167,-4.3,194,566,0,7,7,3,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
(-)-BEBEERINE,000436-05-5,253793,"(1R,16R)-10,25-dimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-9,21-diol",CN1CCC2=CC(=C3C=C2[C@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC,"InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-36-34-24(19-33(42-4)35(36)40)12-14-38(2)28(34)16-22-7-10-29(39)30(17-22)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m1/s1",NGZXDRGWBULKFA-VSGBNLITSA-N,C36H38N2O6,594.7,594.2729869,6,83.9,948,0,2,8,2,44,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BUFALIN,000465-21-4,9547215,"5-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one",C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O,"InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18-,19+,20-,22+,23-,24+/m1/s1",QEEBRPGZBVVINN-BMPKRDENSA-N,C24H34O4,386.5,386.2457096,3.2,66.8,741,0,2,4,1,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BICUCULLINE,000485-49-4,10237,"(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one",CN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1",IYGYMKDQCDOMRE-ZWKOTPCHSA-N,C20H17NO6,367.4,367.1055873,2.6,66.5,615,0,0,7,1,27,,,1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BICUCULLINE METHIODIDE,040709-69-1,104871,"(6R)-6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one iodide",C[N+]1(CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[I-],"InChI=1S/C21H20NO6.HI/c1-22(2)6-5-11-7-15-16(26-9-25-15)8-13(11)18(22)19-12-3-4-14-20(27-10-24-14)17(12)21(23)28-19;/h3-4,7-8,18-19H,5-6,9-10H2,1-2H3;1H/q+1;/p-1/t18-,19+;/m0./s1",HKJKCPKPSSVUHY-GRTNUQQKSA-M,C21H20INO6,509.3,509.03353,,63.2,655,0,0,7,1,29,,,1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIETHYLENETHIOPHOSPHORAMIDE,000052-24-4,5453,tris(aziridin-1-yl)-sulfanylidene-lambda5-phosphane,C1CN1P(=S)(N2CC2)N3CC3,"InChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2",FOCVUCIESVLUNU-UHFFFAOYSA-N,C6H12N3PS,189.22,189.0489556,0.5,41.1,194,0,0,4,3,11,,"Decomposes at 282 °F (NTP, 1992)",0,0,0,1,0,1,0,1,0,0,1,0,0,1,0,0,1,0,0,1
PICROTOXIN,000124-87-8,31304,"(1R,3R,5S,8S,13R,14S)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione;(1R,5S,8S,13R,14R)-1-hydroxy-13-methyl-14-prop-1-en-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione",CC(=C)[C@@H]1C2[C@@H]3[C@@]4([C@](C1C(=O)O2)(CC5[C@]4(O5)C(=O)O3)O)C.C[C@@]12[C@H]3C4[C@H](C([C@@]1(C[C@@H]5[C@]2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O,"InChI=1S/C15H18O7.C15H16O6/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9;1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h5-9,18-19H,4H2,1-3H3;6-10,18H,1,4H2,2-3H3/t5-,6+,7?,8?,9-,13-,14-,15+;6?,7-,8?,9?,10+,13+,14+,15-/m10/s1",VJKUPQSHOVKBCO-ZTYBEOBUSA-N,C30H34O13,602.6,602.1999411,,191,1290,0,3,13,2,43,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
((1R)-3-METHYL-1-(((2S)-1-OXO-3-PHENYL-2-((PYRAZINYLCARBONYL)AMINO)PROPYL)AMINO)BUTYL) BORONIC ACID,179324-69-7,387447,[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boronic acid,B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O,"InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1",GXJABQQUPOEUTA-RDJZCZTQSA-N,C19H25BN4O4,384.2,384.1968855,,124,500,0,4,6,9,28,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,0
DIBENZYL MERCURY,000780-24-5,13073,dibenzylmercury,C1=CC=C(C=C1)C[Hg]CC2=CC=CC=C2,"InChI=1S/2C7H7.Hg/c2*1-7-5-3-2-4-6-7;/h2*2-6H,1H2;",PHOPMVDFIWHLQK-UHFFFAOYSA-N,C14H14Hg,382.85,384.080194,,0,137,0,0,0,2,15,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
TRIAMIPHOS,001031-47-6,13943,"2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine",CN(C)P(=O)(N1C(=NC(=N1)C2=CC=CC=C2)N)N(C)C,"InChI=1S/C12H19N6OP/c1-16(2)20(19,17(3)4)18-12(13)14-11(15-18)10-8-6-5-7-9-10/h5-9H,1-4H3,(H2,13,14,15)",BABJTMNVJXLAEX-UHFFFAOYSA-N,C12H19N6OP,294.29,294.1357963,1.8,80.3,359,0,1,6,4,20,,Decomposes on distillation,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Podophyllin-,009000-55-9,11979494,"bis(8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylic acid);bis(5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one)",COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O.COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O.COC1=CC(=CC(=C1OC)OC)C2C(C(C(C3=CC4=C(C=C23)OCO4)O)CO)C(=O)O.COC1=CC(=CC(=C1OC)OC)C2C(C(C(C3=CC4=C(C=C23)OCO4)O)CO)C(=O)O,"InChI=1S/2C22H24O9.2C22H22O8/c2*1-27-16-4-10(5-17(28-2)21(16)29-3)18-11-6-14-15(31-9-30-14)7-12(11)20(24)13(8-23)19(18)22(25)26;2*1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h2*4-7,13,18-20,23-24H,8-9H2,1-3H3,(H,25,26);2*4-7,13,18-20,23H,8-9H2,1-3H3",KOUZYZCESNTXJO-UHFFFAOYSA-N,C88H92O34,1693.6,1692.547,,433,1240,0,8,34,20,122,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0
Penitrem-A-,012627-35-9,6610243,"(1S,2R,5S,6S,8R,9S,10R,12S,15R,16S,25R,27S,28R)-21-chloro-15,16,33,33-tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol",CC(=C)[C@@H]1[C@@H]([C@@H]2[C@@]3(O2)[C@@H](O1)CC[C@]4([C@]3(CC[C@@H]5[C@@]4(C6=C7[C@H]5OC([C@H]8C[C@H]9[C@@]8(C1=C7C(=CC(=C1CC9=C)Cl)N6)O)(C)C)C)O)C)O,"InChI=1S/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18-,19+,22+,23-,27-,28+,29-,31+,33+,34+,35-,36+,37-/m0/s1",JDUWHZOLEDOQSR-JKPSMKLGSA-N,C37H44ClNO6,634.2,633.2857158,3.8,107,1420,0,4,6,1,45,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"7-alpha-(1-hydroxy-1-methylbutyl)-6,14-endo-Ethenotetrahydrooripavine",014521-96-1,644209,"(1R,2S,6R,14R,15R,19R)-19-[(2R)-2-hydroxypentan-2-yl]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol",CCC[C@](C)([C@H]1C[C@@]23C=C[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)C)OC)O,"InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17-,18-,21-,22-,23-,24+,25-/m1/s1",CAHCBJPUTCKATP-FAWZKKEFSA-N,C25H33NO4,411.5,411.2409585,3.1,62.2,772,0,2,5,4,30,,,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"(T-4)BIS(PHENYLDIAZENECARBOTHIOIC ACID 2-PHENYLHYDRAZIDATO-N2,S)MERCURY",014783-59-6,5489934,bis(N'-anilino-N-phenyliminocarbamimidothioate);mercury(2+),C1=CC=C(C=C1)N/N=C(\[S-])/N=NC2=CC=CC=C2.C1=CC=C(C=C1)N/N=C(\[S-])/N=NC2=CC=CC=C2.[Hg+2],"InChI=1S/2C13H12N4S.Hg/c2*18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12;/h2*1-10,14H,(H,16,18);/q;;+2/p-2",JNLPWEHDIDONKL-UHFFFAOYSA-L,C26H22HgN8S2,711.2,712.111529,,100,291,0,2,8,8,37,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
5-Chloro-6-((((methylamino)carbonyl)oxy)imino)bicyclo(2.2.1)heptane-2-carbonitri,015271-41-7,76970394,"[(E)-[(1S,3R,4R,6R)-3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene]amino] N-methylcarbamate",CNC(=O)O/N=C/1\[C@H]2C[C@@H]([C@H]1Cl)C[C@H]2C#N,"InChI=1S/C10H12ClN3O2/c1-13-10(15)16-14-9-7-3-5(8(9)11)2-6(7)4-12/h5-8H,2-3H2,1H3,(H,13,15)/b14-9+/t5-,6-,7-,8+/m0/s1",QCQPGRMMDFIQMB-JTLQWOPJSA-N,C10H12ClN3O2,241.67,241.0618043,1.1,74.5,387,0,1,4,2,16,,,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
FOSTHIETAN,021548-32-3,30684,"N-diethoxyphosphoryl-1,3-dithietan-2-imine",CCOP(=O)(N=C1SCS1)OCC,"InChI=1S/C6H12NO3PS2/c1-3-9-11(8,10-4-2)7-6-12-5-13-6/h3-5H2,1-2H3",RHJOIOVESMTJEK-UHFFFAOYSA-N,C6H12NO3PS2,241.3,240.9996226,0.7,98.5,230,0,0,6,5,13,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MAZINDOL,022232-71-9,4020,"5-(4-chlorophenyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol",C1CN2C(=N1)C3=CC=CC=C3C2(C4=CC=C(C=C4)Cl)O,"InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2",ZPXSCAKFGYXMGA-UHFFFAOYSA-N,C16H13ClN2O,284.74,284.0716407,2.2,35.8,419,0,1,2,1,20,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-Heptenamide, 7-(3-hydroxy-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl",060325-46-4,5312153,"(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-5-oxocyclopentyl]-N-methylsulfonylhept-5-enamide",CS(=O)(=O)NC(=O)CCC/C=C\C[C@@H]1[C@H]([C@@H](CC1=O)O)/C=C/[C@H](COC2=CC=CC=C2)O,"InChI=1S/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)/b7-2-,14-13+/t17-,19-,20-,22-/m1/s1",UQZVCDCIMBLVNR-TWYODKAFSA-N,C23H31NO7S,465.6,465.1821235,1.5,138,766,0,3,7,12,32,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
CYTOCHALASIN B,014930-96-2,5311281,"(1S,4E,6R,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-6,15-dihydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,21-dione",C[C@@H]1CCC[C@H](/C=C/C(=O)O[C@]23[C@@H](/C=C/C1)[C@@H](C(=C)[C@H]([C@H]2[C@@H](NC3=O)CC4=CC=CC=C4)C)O)O,"InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,22-,23+,24+,26+,27-,29-/m1/s1",GBOGMAARMMDZGR-TYHYBEHESA-N,C29H37NO5,479.6,479.2671733,3.4,95.9,859,0,3,5,2,35,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
HYGROMYCIN B,031282-04-9,56928061,"(3'R,3aS,4S,4'S,5'R,6R,6'R,7S,7aS)-4-[(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5',7-tetrol",CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)OC4(O3)[C@@H]([C@H]([C@H]([C@H](O4)[C@H](CO)N)O)O)O)O)N,"InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17+,18-,19+,20?/m1/s1",GRRNUXAQVGOGFE-HUCHGKBZSA-N,C20H37N3O13,527.5,527.2326382,-6.6,272,756,0,11,16,6,36,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
"9,10-SECOSTRYCHNIDIN-10-OIC ACID, 2,3-DIHYDRO-4-NITRO-2,3-DIOXO-",000561-20-6,68413,"2-[(4S,12S,13R,14S,19R,21S)-9-nitro-7,8-dioxo-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5,9,17-trien-14-yl]acetic acid",C1CN2CC3=CCO[C@H]([C@@H]4[C@H]3C[C@H]2[C@@]15[C@H]4NC6=C(C(=O)C(=O)C=C56)[N+](=O)[O-])CC(=O)O,"InChI=1S/C21H21N3O7/c25-12-6-11-17(18(19(12)28)24(29)30)22-20-16-10-5-14-21(11,20)2-3-23(14)8-9(10)1-4-31-13(16)7-15(26)27/h1,6,10,13-14,16,20,22H,2-5,7-8H2,(H,26,27)/t10-,13-,14-,16-,20-,21+/m0/s1",IVEMPCACOMNRGI-OFDJEBHLSA-N,C21H21N3O7,427.4,427.13795,-3.1,142,1050,0,2,9,2,31,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1
DI(PHENYLMERCURIC) DODECENYL SUCCINATE,027236-65-3,16683090,[(E)-2-[2-oxo-2-(phenylmercuriooxy)ethyl]tetradec-6-enoyl]oxy-phenylmercury,CCCCCCC/C=C/CCCC(CC(=O)O[Hg]C1=CC=CC=C1)C(=O)O[Hg]C2=CC=CC=C2,"InChI=1S/C16H28O4.2C6H5.2Hg/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18;2*1-2-4-6-5-3-1;;/h8-9,14H,2-7,10-13H2,1H3,(H,17,18)(H,19,20);2*1-5H;;/q;;;2*+1/p-2/b9-8+;;;;",KQWJRKDZPFQKFW-HUMMXKGPSA-L,C28H36Hg2O4,837.8,838.20033,,52.6,569,0,0,4,19,34,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"9,10-Secochola-5,7,10(19),22-tetraene-1,3,24-triol, 24-cyclopropyl-, (1-alpha,",112965-21-6,5288783,"trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol",C[C@H](/C=C/[C@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C,"InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1",LWQQLNNNIPYSNX-UROSTWAQSA-N,C27H40O3,412.6,412.2977451,4.3,60.7,743,0,3,3,5,30,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,1,1,1
BROMADIOLONE,028772-56-7,54680085,3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-4-hydroxychromen-2-one,C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O)C4=C(C5=CC=CC=C5OC4=O)O,"InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2",OWNRRUFOJXFKCU-UHFFFAOYSA-N,C30H23BrO4,527.4,526.07797,6.1,66.8,743,0,2,4,6,35,218 °C,"Decomposes, without boiling, above the melting point",1,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
METHIDATHION,000950-37-8,13709,"3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one",COC1=NN(C(=O)S1)CSP(=S)(OC)OC,"InChI=1S/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3",MEBQXILRKZHVCX-UHFFFAOYSA-N,C6H11N2O4PS3,302.3,301.9618574,2.4,143,343,0,0,8,6,16,100 °C,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CELLULOSE, HYDROGEN 1,2-BENZENEDICARBOXYLATE, 2-HYDROXYPROPYL METHYL ETHER",009050-31-1,57469,"1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine",CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2N,"InChI=1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)",DOUYETYNHWVLEO-UHFFFAOYSA-N,C14H16N4,240.3,240.1374965,2.6,56.7,294,0,1,3,2,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
QUINHYDRONE,000106-34-3,7801,"benzene-1,4-diol;cyclohexa-2,5-diene-1,4-dione",C1=CC(=O)C=CC1=O.C1=CC(=CC=C1O)O,"InChI=1S/C6H6O2.C6H4O2/c2*7-5-1-2-6(8)4-3-5/h1-4,7-8H;1-4H",BDJXVNRFAQSMAA-UHFFFAOYSA-N,C12H10O4,218.2,218.0579088,,74.6,204,0,2,4,0,16,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
KEPONE,000143-50-0,299,"1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.02,6.03,9.04,8]decan-5-one",C1(=O)C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl,"InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20",LHHGDZSESBACKH-UHFFFAOYSA-N,C10Cl10O,490.6,489.677541,3.9,17.1,631,0,0,1,0,21,>100.00 °C (>212.00 °F),"Sublimes with decomposition at 662.0 °F (USCG, 1999)",1,1,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRAPHENYLARSONIUM CHLORIDE,000507-28-8,68179,tetraphenylarsanium chloride,C1=CC=C(C=C1)[As+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-],"InChI=1S/C24H20As.ClH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H/q+1;/p-1",NRZGVGVFPHPXEO-UHFFFAOYSA-M,C24H20AsCl,418.8,418.046948,,0,301,0,0,1,4,26,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRAMETHYLTETRASELENAFULVALENE,055259-49-9,143265,"2-(4,5-dimethyl-1,3-diselenol-2-ylidene)-4,5-dimethyl-1,3-diselenole",CC1=C([Se]C(=C2[Se]C(=C([Se]2)C)C)[Se]1)C,InChI=1S/C10H12Se4/c1-5-6(2)12-9(11-5)10-13-7(3)8(4)14-10/h1-4H3,YMWLPMGFZYFLRP-UHFFFAOYSA-N,C10H12Se4,448.1,449.76077,,0,306,0,0,0,0,14,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,3'-DIPYRIDYL",000581-50-0,11389,2-pyridin-3-ylpyridine,C1=CC=NC(=C1)C2=CN=CC=C2,InChI=1S/C10H8N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-8H,VEKIYFGCEAJDDT-UHFFFAOYSA-N,C10H8N2,156.18,156.0687483,1.5,25.8,136,0,0,2,1,12,,,0,0,1,1,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"1,2,3,4-DIBENZANTHRACENE",000215-58-7,9164,benzo[b]triphenylene,C1=CC=C2C=C3C4=CC=CC=C4C5=CC=CC=C5C3=CC2=C1,InChI=1S/C22H14/c1-2-8-16-14-22-20-12-6-4-10-18(20)17-9-3-5-11-19(17)21(22)13-15(16)7-1/h1-14H,RAASUWZPTOJQAY-UHFFFAOYSA-N,C22H14,278.3,278.1095504,6.7,0,361,0,0,0,0,22,,,1,1,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"1,7-PHENANTHROLINE",000230-46-6,67473,"1,7-phenanthroline",C1=CC2=C(C3=C(C=C2)N=CC=C3)N=C1,InChI=1S/C12H8N2/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1/h1-8H,OZKOMUDCMCEDTM-UHFFFAOYSA-N,C12H8N2,180.2,180.0687483,2.5,25.8,204,0,0,2,0,14,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
ANILINE BLUE,008004-91-9,135871623,"disodium;2-amino-3-methyl-5-[[4-(4-sulfonatoanilino)phenyl]-[4-(4-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate",CC1=CC(=CC(=C1N)S(=O)(=O)[O-])C(=C2C=CC(=NC3=CC=C(C=C3)S(=O)(=O)O)C=C2)C4=CC=C(C=C4)NC5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C32H27N3O9S3.2Na/c1-20-18-23(19-30(32(20)33)47(42,43)44)31(21-2-6-24(7-3-21)34-26-10-14-28(15-11-26)45(36,37)38)22-4-8-25(9-5-22)35-27-12-16-29(17-13-27)46(39,40)41;;/h2-19,34H,33H2,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",XOSXWYQMOYSSKB-UHFFFAOYSA-L,C32H25N3Na2O9S3,737.7,737.0548315,,244,1520,0,3,12,6,49,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIPHENYLARSINE,000603-32-7,11773,triphenylarsane,C1=CC=C(C=C1)[As](C2=CC=CC=C2)C3=CC=CC=C3,InChI=1S/C18H15As/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,BPLUKJNHPBNVQL-UHFFFAOYSA-N,C18H15As,306.2,306.03897,,0,202,0,0,0,3,19,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
(-)-TAPA,050874-31-2,97892,"2-[(2,4,5,7-tetranitrofluoren-9-ylidene)amino]oxypropanoic acid",CC(C(=O)O)ON=C1C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=C1C=C(C=C3[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C16H9N5O11/c1-6(16(22)23)32-17-15-9-2-7(18(24)25)4-11(20(28)29)13(9)14-10(15)3-8(19(26)27)5-12(14)21(30)31/h2-6H,1H3,(H,22,23)",MQTMHRXULFJFOC-UHFFFAOYSA-N,C16H9N5O11,447.27,447.0298561,3,242,800,0,1,12,3,32,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIBENZYLTIN CHLORIDE,003151-41-5,18470,tribenzyl(chloro)stannane,C1=CC=C(C=C1)C[Sn](CC2=CC=CC=C2)(CC3=CC=CC=C3)Cl,"InChI=1S/3C7H7.ClH.Sn/c3*1-7-5-3-2-4-6-7;;/h3*2-6H,1H2;1H;/q;;;;+1/p-1",PUFMEHZUXSPPAM-UHFFFAOYSA-M,C21H21ClSn,427.6,428.035381,,0,274,0,0,0,6,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
NEFOPAM HYDROCHLORIDE,023327-57-3,155290,"5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine;hydrochloride",CN1CCOC(C2=CC=CC=C2C1)C3=CC=CC=C3.Cl,"InChI=1S/C17H19NO.ClH/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18;/h2-10,17H,11-13H2,1H3;1H",CNNVSINJDJNHQK-UHFFFAOYSA-N,C17H20ClNO,289.8,289.123342,,12.5,274,0,1,2,1,20,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DICYCLOHEXANO-24-CROWN-8,017455-23-1,87119,"2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriacontane",C1CCC2C(C1)OCCOCCOCCOC3CCCCC3OCCOCCOCCO2,"InChI=1S/C24H44O8/c1-2-6-22-21(5-1)29-17-13-25-9-10-27-15-19-31-23-7-3-4-8-24(23)32-20-16-28-12-11-26-14-18-30-22/h21-24H,1-20H2",QMLGNDFKJAFKGZ-UHFFFAOYSA-N,C24H44O8,460.6,460.3036184,1.5,73.8,372,0,0,8,0,32,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ALAMETHICIN,027061-78-5,76958618,"(4S)-4-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[2-[[(2R)-2-[[2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-1-(2-acetamido-2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-5-[[(2S)-5-amino-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-methyl-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid",C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C)(C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)N[C@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@](C)(CCC(=O)N)C(=O)N[C@@H](CC2=CC=CC=C2)CO)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@@H]3CCCN3C(=O)C(C)(C)NC(=O)C,"InChI=1S/C92H150N22O25/c1-47(2)43-58(72(127)108-91(23,24)84(139)113-41-29-33-59(113)73(128)103-65(48(3)4)75(130)111-88(17,18)80(135)97-51(8)68(123)102-57(36-38-64(120)121)71(126)112-92(25,40-39-62(94)118)82(137)99-55(46-115)44-54-31-27-26-28-32-54)100-63(119)45-95-77(132)85(11,12)110-76(131)66(49(5)6)104-81(136)89(19,20)107-70(125)56(35-37-61(93)117)101-67(122)50(7)96-78(133)86(13,14)106-69(124)52(9)98-79(134)87(15,16)109-74(129)60-34-30-42-114(60)83(138)90(21,22)105-53(10)116/h26-28,31-32,47-52,55-60,65-66,115H,29-30,33-46H2,1-25H3,(H2,93,117)(H2,94,118)(H,95,132)(H,96,133)(H,97,135)(H,98,134)(H,99,137)(H,100,119)(H,101,122)(H,102,123)(H,103,128)(H,104,136)(H,105,116)(H,106,124)(H,107,125)(H,108,127)(H,109,129)(H,110,131)(H,111,130)(H,112,126)(H,120,121)/t50-,51-,52-,55-,56-,57-,58+,59-,60-,65-,66-,92-/m0/s1",NRRXBXXRKXUIFD-ZTEFGAJGSA-N,C92H150N22O25,1964.3,1963.114248,-1.8,708,4520,0,22,25,53,139,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ADENINE SULFATE,000321-30-2,9449,bis(7H-purin-6-amine);sulfuric acid,C1=NC2=NC=NC(=C2N1)N.C1=NC2=NC=NC(=C2N1)N.OS(=O)(=O)O,"InChI=1S/2C5H5N5.H2O4S/c2*6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4/h2*1-2H,(H3,6,7,8,9,10);(H2,1,2,3,4)",LQXHSCOPYJCOMD-UHFFFAOYSA-N,C10H12N10O4S,368.34,368.0763701,,244,209,0,6,12,0,25,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
PENTYLENETETRAZOLE,000054-95-5,5917,"6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine",C1CCC2=NN=NN2CC1,InChI=1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2,CWRVKFFCRWGWCS-UHFFFAOYSA-N,C6H10N4,138.17,138.0905463,0.1,43.6,116,0,0,3,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAPHENYLLEAD,000595-89-1,72906,tetraphenylplumbane,C1=CC=C(C=C1)[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4,InChI=1S/4C6H5.Pb/c4*1-2-4-6-5-3-1;/h4*1-5H;,WBJSMHDYLOJVKC-UHFFFAOYSA-N,C24H20Pb,515,516.13315,,0,301,0,0,0,4,25,,,1,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
BENZENESELENINIC ANHYDRIDE,017697-12-0,87253,phenylseleninyl benzeneseleninate,C1=CC=C(C=C1)[Se](=O)O[Se](=O)C2=CC=CC=C2,InChI=1S/C12H10O3Se2/c13-16(11-7-3-1-4-8-11)15-17(14)12-9-5-2-6-10-12/h1-10H,FHPZOWOEILXXBD-UHFFFAOYSA-N,C12H10O3Se2,360.1,361.89604,,43.4,253,0,0,3,4,17,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
2-ADAMANTANONE,000700-58-3,64151,adamantan-2-one,C1C2CC3CC1CC(C2)C3=O,"InChI=1S/C10H14O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2",IYKFYARMMIESOX-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,1.8,17.1,177,0,0,1,0,11,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
PHENOBARBITAL SODIUM,000057-30-7,23674889,"sodium 5-ethyl-4,6-dioxo-5-phenyl-1H-pyrimidin-2-olate",CCC1(C(=O)NC(=NC1=O)[O-])C2=CC=CC=C2.[Na+],"InChI=1S/C12H12N2O3.Na/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;/h3-7H,2H2,1H3,(H2,13,14,15,16,17);/q;+1/p-1",WRLGYAWRGXKSKG-UHFFFAOYSA-M,C12H11N2NaO3,254.22,254.0667365,,81.6,378,0,1,3,2,18,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"TETRATHIAFULVALENE 7,7,8,8-TETRACYANOQUINODIMETHANE SALT",040210-84-2,9844358,"2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;2-(1,3-dithiol-2-ylidene)-1,3-dithiole",C1=CC(=C(C#N)C#N)C=CC1=C(C#N)C#N.C1=CSC(=C2SC=CS2)S1,InChI=1S/C12H4N4.C6H4S4/c13-5-11(6-14)9-1-2-10(4-3-9)12(7-15)8-16;1-2-8-5(7-1)6-9-3-4-10-6/h1-4H;1-4H,OIXMVDHMELKBDX-UHFFFAOYSA-N,C18H8N4S4,408.6,407.963181,,196,717,0,0,8,0,26,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
COLISTIN SULFATE,001264-72-8,71457944,"N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxybutan-2-yl]amino]-1-oxobutan-2-yl]-6-methylheptanamide;N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxybutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide;sulfuric acid",CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CN[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)[C@@H](C)O)[C@@H](C)O.C[C@H]([C@H]1C(=O)NCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCN)CCN)CC(C)C)CC(C)C)CCN)NC(=O)[C@H](CCN)NC[C@@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)CCCCC(C)C)O.OS(=O)(=O)O.OS(=O)(=O)O,"InChI=1S/C53H102N16O12.C52H100N16O12.2H2O4S/c1-9-31(6)12-10-11-13-43(72)61-35(15-21-55)46(74)68-42(32(7)70)28-60-34(14-20-54)45(73)65-39-19-25-59-53(81)44(33(8)71)69-50(78)38(18-24-58)63-47(75)36(16-22-56)64-51(79)40(26-29(2)3)67-52(80)41(27-30(4)5)66-48(76)37(17-23-57)62-49(39)77;1-28(2)11-9-10-12-42(71)60-34(14-20-54)45(73)67-41(31(7)69)27-59-33(13-19-53)44(72)64-38-18-24-58-52(80)43(32(8)70)68-49(77)37(17-23-57)62-46(74)35(15-21-55)63-50(78)39(25-29(3)4)66-51(79)40(26-30(5)6)65-47(75)36(16-22-56)61-48(38)76;2*1-5(2,3)4/h29-42,44,60,70-71H,9-28,54-58H2,1-8H3,(H,59,81)(H,61,72)(H,62,77)(H,63,75)(H,64,79)(H,65,73)(H,66,76)(H,67,80)(H,68,74)(H,69,78);28-41,43,59,69-70H,9-27,53-57H2,1-8H3,(H,58,80)(H,60,71)(H,61,76)(H,62,74)(H,63,78)(H,64,72)(H,65,75)(H,66,79)(H,67,73)(H,68,77);2*(H2,1,2,3,4)/t31?,32-,33-,34+,35+,36+,37+,38+,39+,40+,41-,42+,44+;31-,32-,33+,34+,35+,36+,37+,38+,39+,40-,41+,43+;;/m11../s1",ZESIAEVDVPWEKB-ORCFLVBFSA-N,C105H206N32O32S2,2493.1,2492.49509,,1110,4040,0,40,44,59,171,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ANHYDROTETRACYCLINE HYDROCHLORIDE,013803-65-1,54710409,"(4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide;hydrochloride",CC1=C2C=CC=C(C2=C(C3=C1C[C@H]4[C@@H](C(=O)C(=C([C@]4(C3=O)O)O)C(=O)N)N(C)C)O)O.Cl,"InChI=1S/C22H22N2O7.ClH/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28;/h4-6,11,16,25-26,29,31H,7H2,1-3H3,(H2,23,30);1H/t11-,16-,22-;/m0./s1",SPFAOPCHYIJPHJ-WPJNXPDPSA-N,C22H23ClN2O7,462.9,462.1193788,,161,855,0,6,8,2,32,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
TRIPHENYLARSINE OXIDE,001153-05-5,14382,diphenylarsorylbenzene,C1=CC=C(C=C1)[As](=O)(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C18H15AsO/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",CLVJBRYGLQNRDA-UHFFFAOYSA-N,C18H15AsO,322.2,322.033885,,17.1,281,0,0,1,3,20,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-CYCLOHEXL-1H-PYRROLE-2,5-DIONE",001631-25-0,74203,"1-cyclohexylpyrrole-2,5-dione",C1CCC(CC1)N2C(=O)C=CC2=O,"InChI=1S/C10H13NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h6-8H,1-5H2",BQTPKSBXMONSJI-UHFFFAOYSA-N,C10H13NO2,179.22,179.0946287,1.3,37.4,246,0,0,2,1,13,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
EBSELEN,060940-34-3,3194,"2-phenyl-1,2-benzoselenazol-3-one",C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2,InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H,DYEFUKCXAQOFHX-UHFFFAOYSA-N,C13H9NOSe,274.19,274.98494,,20.3,275,0,0,1,1,16,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
MARGATOXIN,145808-47-5,121596045,"(2S)-2-[[(2S)-1-[(2S)-2-[[(aS,1R,3aS,4S,10S,16S,19R,22S,25S,28S,34S,37S,40R,45R,48S,51S,57S,60S,63S,69S,72S,75S,78S,85R,88S,91R,94S)-40-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-25,48,78,88,94-pentakis(4-aminobutyl)-a-(2-amino-2-oxoethyl)-22,63,72-tris(3-amino-3-oxopropyl)-69-benzyl-37-[(1R)-1-hydroxyethyl]-34,60-bis(hydroxymethyl)-51,57,75-trimethyl-16-(2-methylpropyl)-3a-(2-methylsulfanylethyl)-2a,3,5a,9,15,18,21,24,27,33,36,39,47,50,53,56,59,62,65,68,71,74,77,80,87,90,93,96,99-nonacosaoxo-7a,8a,42,43,82,83-hexathia-1a,2,4a,8,14,17,20,23,26,32,35,38,46,49,52,55,58,61,64,67,70,73,76,79,86,89,92,95,98-nonacosazahexacyclo[43.35.25.419,91.04,8.010,14.028,32]nonahectane-85-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid",CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H]3CSSC[C@@H](C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC3=O)CCCCN)C(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)N7CCC[C@H]7C(=O)N[C@@H](CC8=CN=CN8)C(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CCCCN)C)C)CO)CCC(=O)N)CC9=CC=CC=C9)CCC(=O)N)C)CCCCN)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@@H](C)O)CO)CCCCN)CCC(=O)N)CCCCN)CC(=O)N)CCSC)NC(=O)[C@H]([C@@H](C)O)N,"InChI=1S/C178H286N52O50S7/c1-15-91(7)140(225-172(273)141(92(8)16-2)224-169(270)138(190)96(12)233)171(272)211-114(75-134(189)240)158(259)223-139(90(5)6)170(271)208-107(43-25-31-64-184)153(254)221-125-87-287-283-83-121-161(262)206-111(58-69-281-14)157(258)210-113(74-133(188)239)147(248)194-78-136(242)199-102(38-20-26-59-179)149(250)217-120-82-282-284-84-122(220-156(257)110(54-57-132(187)238)205-150(251)106(42-24-30-63-183)207-166(267)126-44-33-66-228(126)176(277)119(81-232)216-173(274)142(97(13)234)226-165(125)266)163(264)212-115(70-89(3)4)174(275)230-68-35-47-129(230)177(278)229-67-34-46-128(229)168(269)222-124(86-286-285-85-123(219-152(253)105(204-160(120)261)41-23-29-62-182)164(265)213-116(72-99-48-50-101(235)51-49-99)175(276)227-65-32-45-127(227)167(268)214-117(178(279)280)73-100-76-191-88-195-100)162(263)203-103(39-21-27-60-180)148(249)198-95(11)145(246)202-109(53-56-131(186)237)155(256)209-112(71-98-36-18-17-19-37-98)146(247)193-79-137(243)200-108(52-55-130(185)236)154(255)215-118(80-231)159(260)197-93(9)143(244)192-77-135(241)196-94(10)144(245)201-104(151(252)218-121)40-22-28-61-181/h17-19,36-37,48-51,76,88-97,102-129,138-142,231-235H,15-16,20-35,38-47,52-75,77-87,179-184,190H2,1-14H3,(H2,185,236)(H2,186,237)(H2,187,238)(H2,188,239)(H2,189,240)(H,191,195)(H,192,244)(H,193,247)(H,194,248)(H,196,241)(H,197,260)(H,198,249)(H,199,242)(H,200,243)(H,201,245)(H,202,246)(H,203,263)(H,204,261)(H,205,251)(H,206,262)(H,207,267)(H,208,271)(H,209,256)(H,210,258)(H,211,272)(H,212,264)(H,213,265)(H,214,268)(H,215,255)(H,216,274)(H,217,250)(H,218,252)(H,219,253)(H,220,257)(H,221,254)(H,222,269)(H,223,259)(H,224,270)(H,225,273)(H,226,266)(H,279,280)/t91-,92-,93-,94-,95-,96+,97+,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,138-,139-,140-,141-,142-/m0/s1",OVJBOPBBHWOWJI-FYNXUGHNSA-N,C178H286N52O50S7,4179,4176.951391,-14.9,1810,9830,0,53,65,75,287,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,4'-(1,3-PROPANEDIYL)BIS-PYRIDINE",017252-51-6,87019,4-(3-pyridin-4-ylpropyl)pyridine,C1=CN=CC=C1CCCC2=CC=NC=C2,"InChI=1S/C13H14N2/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13/h4-11H,1-3H2",OGNCVVRIKNGJHQ-UHFFFAOYSA-N,C13H14N2,198.26,198.1156985,2.5,25.8,140,0,0,2,4,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-AZOPYRIDINE",002632-99-7,238589,dipyridin-4-yldiazene,C1=CN=CC=C1N=NC2=CC=NC=C2,InChI=1S/C10H8N4/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H,XUPMSLUFFIXCDA-UHFFFAOYSA-N,C10H8N4,184.2,184.0748963,1.6,50.5,161,0,0,4,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-CYANO-4-(PHENYLCARBONOTHIOYLTHIO)PENTANOIC ACID N-SUCCINIMIDYL ESTER,864066-74-0,15980043,"(2,5-dioxopyrrolidin-1-yl) 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoate",CC(CCC(=O)ON1C(=O)CCC1=O)(C#N)SC(=S)C2=CC=CC=C2,"InChI=1S/C17H16N2O4S2/c1-17(11-18,25-16(24)12-5-3-2-4-6-12)10-9-15(22)23-19-13(20)7-8-14(19)21/h2-6H,7-10H2,1H3",XQQHRPPQBDALBV-UHFFFAOYSA-N,C17H16N2O4S2,376.5,376.0551493,2.2,145,605,0,0,7,8,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
(2-BIPHENYL)DI-1-ADAMANTYLPHOSPHINE,224311-55-1,9868588,bis(1-adamantyl)-(2-phenylphenyl)phosphane,C1C2CC3CC1CC(C2)(C3)P(C4=CC=CC=C4C5=CC=CC=C5)C67CC8CC(C6)CC(C8)C7,"InChI=1S/C32H39P/c1-2-6-28(7-3-1)29-8-4-5-9-30(29)33(31-16-22-10-23(17-31)12-24(11-22)18-31)32-19-25-13-26(20-32)15-27(14-25)21-32/h1-9,22-27H,10-21H2",MSKLBRMTWIUCEQ-UHFFFAOYSA-N,C32H39P,454.6,454.2789382,8.5,0,619,0,0,0,4,33,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3,5-TRI(2-THIENYL)BENZENE",015509-95-2,4121433,"2-(3,5-dithiophen-2-ylphenyl)thiophene",C1=CSC(=C1)C2=CC(=CC(=C2)C3=CC=CS3)C4=CC=CS4,InChI=1S/C18H12S3/c1-4-16(19-7-1)13-10-14(17-5-2-8-20-17)12-15(11-13)18-6-3-9-21-18/h1-12H,UBHPRZXDFVCNHZ-UHFFFAOYSA-N,C18H12S3,324.5,324.0101139,5.9,84.7,281,0,0,3,3,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,7-NAPHTHYRIDIN-8-AMINE",017965-82-1,2737037,"1,7-naphthyridin-8-amine",C1=CC2=C(C(=NC=C2)N)N=C1,"InChI=1S/C8H7N3/c9-8-7-6(3-5-11-8)2-1-4-10-7/h1-5H,(H2,9,11)",LRKLTZGZHDEBME-UHFFFAOYSA-N,C8H7N3,145.16,145.0639972,0.8,51.8,137,0,1,3,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LITHIUM BIS(OXALATO)BORATE,244761-29-3,23677815,"lithium 1,4,6,9-tetraoxa-5-boranuidaspiro[4.4]nonane-2,3,7,8-tetrone",[Li+].[B-]12(OC(=O)C(=O)O1)OC(=O)C(=O)O2,InChI=1S/C4BO8.Li/c6-1-2(7)11-5(10-1)12-3(8)4(9)13-5;/q-1;+1,NVQAYVUCVASGDK-UHFFFAOYSA-N,C4BLiO8,193.8,193.9846256,,105,280,0,0,9,0,14,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
LITHIUM DIFLUORO(OXALATO)BORATE,409071-16-5,91810277,"lithium 2,2-difluoro-1,3-dioxa-2-boranuidacyclopentane-4,5-dione",[Li+].[B-]1(OC(=O)C(=O)O1)(F)F,InChI=1S/C2BF2O4.Li/c4-3(5)8-1(6)2(7)9-3;/q-1;+1,MEDDCIKGDMDORY-UHFFFAOYSA-N,C2BF2LiO4,143.8,144.0017734,,52.6,164,0,0,7,0,10,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
GLIOTOXIN,000067-99-2,6223,"(1R,7S,8S,11R)-7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-diene-10,14-dione",CN1C(=O)[C@]23CC4=CC=C[C@@H]([C@H]4N2C(=O)[C@]1(SS3)CO)O,"InChI=1S/C13H14N2O4S2/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-20-12/h2-4,8-9,16-17H,5-6H2,1H3/t8-,9-,12+,13+/m0/s1",FIVPIPIDMRVLAY-RBJBARPLSA-N,C13H14N2O4S2,326.4,326.0394993,-0.7,132,621,0,2,6,1,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
VX-809,936727-05-8,16678941,"3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid",CC1=C(N=C(C=C1)NC(=O)C2(CC2)C3=CC4=C(C=C3)OC(O4)(F)F)C5=CC(=CC=C5)C(=O)O,"InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31)",UFSKUSARDNFIRC-UHFFFAOYSA-N,C24H18F2N2O5,452.4,452.118378,4.4,97.8,776,0,2,8,5,33,,,0,1,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,1
4-((3-{(4-(CYCLOPROPYLCARBONYL)PIPERAZIN-1-YL)CARBONYL}-4-FLUOROPHENYL)METHYL)PHTHALAZIN-1(2H)-ONE,763113-22-0,23725625,4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one,C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F,"InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)",FDLYAMZZIXQODN-UHFFFAOYSA-N,C24H23FN4O3,434.5,434.1754188,1.9,82.1,790,0,1,5,4,32,,,0,0,0,1,0,0,1,0,0,0,1,0,0,1,0,0,0,0,1,0
"3-Isoxazolecarboxylic acid, 5-methyl-, 2-benzylhydrazide",000059-63-2,3759,"N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide",CC1=CC(=NO1)C(=O)NNCC2=CC=CC=C2,"InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)",XKFPYPQQHFEXRZ-UHFFFAOYSA-N,C12H13N3O2,231.25,231.1007767,1.5,67.2,254,0,2,4,4,17,,394.5ºC at 760 mmHg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ERGOTAMINE TARTRATE,000379-79-3,9787,"bis((6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide);(2R,3R)-2,3-dihydroxybutanedioic acid",C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C.C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/2C33H35N5O5.C4H6O6/c2*1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;5-1(3(7)8)2(6)4(9)10/h2*3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39);1-2,5-6H,(H,7,8)(H,9,10)/t2*21-,25-,26+,27+,32-,33+;1-,2-/m111/s1",CJMJLDQKTOJACI-BGQAIRJTSA-N,C70H76N10O16,1313.4,1312.544076,,351,1350,0,10,18,11,96,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1H-IMIDAZOLE, 2,4,5-TRIPHENYL-",000484-47-9,10232,"2,4,5-triphenyl-1H-imidazole",C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C21H16N2/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18/h1-15H,(H,22,23)",RNIPJYFZGXJSDD-UHFFFAOYSA-N,C21H16N2,296.4,296.1313485,5,28.7,351,0,1,1,3,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,5-METHANO-8H-PYRIDO[1,2-A][1,5]DIAZOCIN-8-ONE, 1,2,3,4,5,6-HEXAHYDRO-, (1R)-",000485-35-8,10235,"(1R,9S)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one",C1[C@H]2CNC[C@@H]1C3=CC=CC(=O)N3C2,"InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1",ANJTVLIZGCUXLD-DTWKUNHWSA-N,C11H14N2O,190.24,190.1106131,0.2,32.3,332,0,1,2,0,14,,BP: 218 °C at 2 mm Hg,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOLCODINE (COPHOLCO, ADAPHOL, CODISOL, LANTUSS)",000509-67-1,5311356,"(4R,4aR,7S,7aR,12bS)-3-methyl-9-(2-morpholin-4-ylethoxy)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OCCN6CCOCC6)O[C@H]3[C@H](C=C4)O,"InChI=1S/C23H30N2O4/c1-24-7-6-23-16-3-4-18(26)22(23)29-21-19(5-2-15(20(21)23)14-17(16)24)28-13-10-25-8-11-27-12-9-25/h2-5,16-18,22,26H,6-14H2,1H3/t16-,17+,18-,22-,23-/m0/s1",GPFAJKDEDBRFOS-FKQDBXSBSA-N,C23H30N2O4,398.5,398.2205574,0.8,54.4,653,0,1,6,4,29,,577.8ºC at 760 mmHg,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperidine, 4-(5H-dibenzo(a,d)cyclohepten-5-ylidene)-1-methyl-, hydrochloride",000969-33-5,13770,"1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine;hydrochloride",CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1.Cl,"InChI=1S/C21H21N.ClH/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21;/h2-11H,12-15H2,1H3;1H",ZPMVNZLARAEGHB-UHFFFAOYSA-N,C21H22ClN,323.9,323.1440774,,3.2,423,0,1,1,0,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"ARSONIUM, METHYLTRIPHENYL-, IODIDE",001499-33-8,73911,methyl(triphenyl)arsanium iodide,C[As+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-],"InChI=1S/C19H18As.HI/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1",GHLKOMSNOFJXDT-UHFFFAOYSA-M,C19H18AsI,448.2,447.96692,,0,235,0,0,1,3,21,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"HYDRAZINECARBOTHIOAMIDE, N,2-DIPHENYL-",001768-59-8,775364,1-anilino-3-phenylthiourea,C1=CC=C(C=C1)NC(=S)NNC2=CC=CC=C2,"InChI=1S/C13H13N3S/c17-13(14-11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h1-10,15H,(H2,14,16,17)",VGIVYSWGHVFQRP-UHFFFAOYSA-N,C13H13N3S,243.33,243.0830186,3.4,68.2,233,0,3,2,3,17,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"METHANONE, PHENYL-2-PYRIDINYL-, OXIME",001826-28-4,74582,N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine,C1=CC=C(C=C1)C(=NO)C2=CC=CC=N2,"InChI=1S/C12H10N2O/c15-14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9,15H",RSJDEVMJZLLAHS-UHFFFAOYSA-N,C12H10N2O,198.22,198.0793129,2.1,45.5,222,0,1,3,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ajmalanium, 17R,21-alpha-dihydroxy-4-propyl-, hydrogen tartrate",002589-47-1,76959817,"(1R,9R,10S,12R,13S,14R,15R,16S,17S,18R)-13-ethyl-8-methyl-15-propyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate",CCC[N@@+]12[C@H]3C[C@@H]([C@@H]([C@H]1O)CC)[C@H]4[C@@H]2C[C@@]5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O.[C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O,"InChI=1S/C23H33N2O2.C4H6O6/c1-4-10-25-17-11-14(13(5-2)22(25)27)19-18(25)12-23(21(19)26)15-8-6-7-9-16(15)24(3)20(17)23;5-1(3(7)8)2(6)4(9)10/h6-9,13-14,17-22,26-27H,4-5,10-12H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/q+1;/p-1/t13-,14-,17-,18-,19-,20-,21+,22+,23+,25-;1-,2-/m01/s1",VZAUGYDMVQSQAO-VOTNWUEESA-M,C27H38N2O8,518.6,518.2628162,,162,788,0,5,9,5,37,,,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"METHANAMINIUM, N-[4-[[4-(CYCLOHEXYLAMINO)-1-NAPHTHALENYL][4-(DIMETHYLAMINO)PHE",003251-84-1,160677,[4-[bis[4-(dimethylamino)phenyl]methylidene]naphthalen-1-ylidene]-cyclohexylazanium chloride,CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[NH+]C3CCCCC3)C4=CC=CC=C24)C5=CC=C(C=C5)N(C)C.[Cl-],"InChI=1S/C33H37N3.ClH/c1-35(2)27-18-14-24(15-19-27)33(25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26;/h8-9,12-23,26H,5-7,10-11H2,1-4H3;1H",XPYRKKDYSGJSKK-UHFFFAOYSA-N,C33H38ClN3,512.1,511.2754259,,20.5,769,0,1,3,5,37,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H-PYRROLE, 2,3,4,5-TETRAPHENYL-",003263-79-4,76753,"2,3,4,5-tetraphenyl-1H-pyrrole",C1=CC=C(C=C1)C2=C(NC(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5,"InChI=1S/C28H21N/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)29-27(25)23-17-9-3-10-18-23/h1-20,29H",IEZVMRGFNUNABR-UHFFFAOYSA-N,C28H21N,371.5,371.1673997,7.3,15.8,433,0,1,0,4,29,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-INDOLIUM, 1,3,3-TRIMETHYL-2-[2-(1-METHYL-2-PHENYL-1H-INDOL-3-YL)ETHENYL]-,",004657-00-5,135747272,"1,3,3-trimethyl-2-[(E)-2-(1-methyl-2-phenylindol-3-yl)ethenyl]indol-1-ium chloride",CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5)C)C.[Cl-],"InChI=1S/C28H27N2.ClH/c1-28(2)23-15-9-11-17-25(23)29(3)26(28)19-18-22-21-14-8-10-16-24(21)30(4)27(22)20-12-6-5-7-13-20;/h5-19H,1-4H3;1H/q+1;/p-1",LORKUZBPMQEQET-UHFFFAOYSA-M,C28H27ClN2,427,426.1862766,,7.9,683,0,0,1,3,31,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
STERIGMATOCYSTIN,010048-13-2,5280389,"(3S,7R)-15-hydroxy-11-methoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-13-one",COC1=C2C(=C3[C@@H]4C=CO[C@@H]4OC3=C1)OC5=CC=CC(=C5C2=O)O,"InChI=1S/C18H12O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-8,18-19H,1H3/t8-,18+/m0/s1",UTSVPXMQSFGQTM-DCXZOGHSSA-N,C18H12O6,324.3,324.0633881,3.4,74.2,562,0,1,6,1,24,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRAZEPAM,010379-14-3,25215,"7-chloro-5-(cyclohexen-1-yl)-1-methyl-3H-1,4-benzodiazepin-2-one",CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CCCCC3,"InChI=1S/C16H17ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h5,7-9H,2-4,6,10H2,1H3",IQWYAQCHYZHJOS-UHFFFAOYSA-N,C16H17ClN2O,288.77,288.1029409,3.2,32.7,457,0,0,2,1,20,,,0,1,1,1,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1
"1,2,4-THIADIAZOL-5-AMINE, 3-PHENYL-",017467-15-1,28561,"3-phenyl-1,2,4-thiadiazol-5-amine",C1=CC=C(C=C1)C2=NSC(=N2)N,"InChI=1S/C8H7N3S/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)",OYAHSBDYBOBAAQ-UHFFFAOYSA-N,C8H7N3S,177.23,177.0360684,1.3,80,147,0,1,4,1,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Imidazoline, 2-(1-(2,6-dichlorophenoxy)ethyl)-, monohydrochloride",021498-08-8,30667,"2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole;hydrochloride",CC(C1=NCCN1)OC2=C(C=CC=C2Cl)Cl.Cl,"InChI=1S/C11H12Cl2N2O.ClH/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13;/h2-4,7H,5-6H2,1H3,(H,14,15);1H",DWWHMKBNNNZGHF-UHFFFAOYSA-N,C11H13Cl3N2O,295.6,294.009346,,33.6,263,0,2,2,3,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PROPANEDINITRILE, (2,6-DIMETHYL-4H-PYRAN-4-YLIDENE)-",028286-88-6,119915,"2-(2,6-dimethylpyran-4-ylidene)propanedinitrile",CC1=CC(=C(C#N)C#N)C=C(O1)C,"InChI=1S/C10H8N2O/c1-7-3-9(4-8(2)13-7)10(5-11)6-12/h3-4H,1-2H3",XYBUCJYJVULPHW-UHFFFAOYSA-N,C10H8N2O,172.18,172.0636629,1.3,56.8,382,0,0,3,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Phthalide, 3-(3-furyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-",028808-62-0,124039,"(3R,3aR)-3-(furan-3-yl)-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one",CC1=C2C(=O)O[C@H]([C@@]2(CCC1)C)C3=COC=C3,"InChI=1S/C14H16O3/c1-9-4-3-6-14(2)11(9)13(15)17-12(14)10-5-7-16-8-10/h5,7-8,12H,3-4,6H2,1-2H3/t12-,14+/m0/s1",XYYAFLHHHZVPRN-GXTWGEPZSA-N,C14H16O3,232.27,232.1099444,2.5,39.4,385,0,0,3,1,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenothiazine, 10-(3-quinuclidinylmethyl)-",029216-28-2,4066,10-(1-azabicyclo[2.2.2]octan-3-ylmethyl)phenothiazine,C1CN2CCC1C(C2)CN3C4=CC=CC=C4SC5=CC=CC=C53,"InChI=1S/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2",HOKDBMAJZXIPGC-UHFFFAOYSA-N,C20H22N2S,322.5,322.1503699,4.6,31.8,398,0,0,3,2,23,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"5H-(1)Benzopyrano(2,3,-b)pyridine-7-acetic acid, alpha-methyl-",052549-17-4,4888,"2-(5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid",CC(C1=CC2=C(C=C1)OC3=C(C2)C=CC=N3)C(=O)O,"InChI=1S/C15H13NO3/c1-9(15(17)18)10-4-5-13-12(7-10)8-11-3-2-6-16-14(11)19-13/h2-7,9H,8H2,1H3,(H,17,18)",TVQZAMVBTVNYLA-UHFFFAOYSA-N,C15H13NO3,255.27,255.0895433,2.7,59.4,346,0,1,4,2,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Imidazo(4,5-d)(1,3)diazepin-8-ol, 3-(2-deoxy-beta-D-pentofuranosyl)-3,6,7,8-te",053910-25-1,439693,"(8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol",C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC=NC[C@H]3O)CO)O,"InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1",FPVKHBSQESCIEP-JQCXWYLXSA-N,C11H16N4O4,268.27,268.117155,-2.1,112,356,0,4,6,2,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, N-(5-chloro-4-((4-chlorophenyl)cyanomethyl)-2-methylphenyl)-2-hydro",057808-65-8,42574,"N-[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]-2-hydroxy-3,5-diiodobenzamide",CC1=CC(=C(C=C1NC(=O)C2=C(C(=CC(=C2)I)I)O)Cl)C(C#N)C3=CC=C(C=C3)Cl,"InChI=1S/C22H14Cl2I2N2O2/c1-11-6-15(17(10-27)12-2-4-13(23)5-3-12)18(24)9-20(11)28-22(30)16-7-14(25)8-19(26)21(16)29/h2-9,17,29H,1H3,(H,28,30)",JMPFSEBWVLAJKM-UHFFFAOYSA-N,C22H14Cl2I2N2O2,663.1,661.85218,7.2,73.1,652,0,2,3,4,30,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-2-(4-(3-((4-(b",059209-40-4,5282193,bis((Z)-but-2-enedioic acid);3-[4-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyethyl]piperazin-1-yl]propyl 4-benzamido-5-(dipropylamino)-5-oxopentanoate,CCCN(C(=O)C(NC(=O)C1=CC=CC=C1)CCC(=O)OCCCN2CCN(CC2)CCOC(=O)CC3=C(N(C4=C3C=C(C=C4)OC)C(=O)C5=CC=C(C=C5)Cl)C)CCC.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C46H58ClN5O8.2C4H4O4/c1-5-21-51(22-6-2)46(57)40(48-44(55)34-11-8-7-9-12-34)18-20-42(53)59-29-10-23-49-24-26-50(27-25-49)28-30-60-43(54)32-38-33(3)52(41-19-17-37(58-4)31-39(38)41)45(56)35-13-15-36(47)16-14-35;2*5-3(6)1-2-4(7)8/h7-9,11-17,19,31,40H,5-6,10,18,20-30,32H2,1-4H3,(H,48,55);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-",MKFWBVKQDGNXDW-SPIKMXEPSA-N,C54H66ClN5O16,1076.6,1075.419309,,289,1480,0,5,18,27,76,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOXAZOLE, 2-METHYL-5-PHENYL-",061931-68-8,112786,"2-methyl-5-phenyl-1,3-benzoxazole",CC1=NC2=C(O1)C=CC(=C2)C3=CC=CC=C3,"InChI=1S/C14H11NO/c1-10-15-13-9-12(7-8-14(13)16-10)11-5-3-2-4-6-11/h2-9H,1H3",CHZDPBVCBBQQRP-UHFFFAOYSA-N,C14H11NO,209.24,209.084064,3.8,26,237,0,0,2,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1-BENZOPYRAN-2-ONE, 7-(DIETHYLAMINO)-3-(5-PHENYL-1,3,4-THIADIAZOL-2-YL)-",062143-26-4,112813,"7-(diethylamino)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)chromen-2-one",CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NN=C(S3)C4=CC=CC=C4,"InChI=1S/C21H19N3O2S/c1-3-24(4-2)16-11-10-15-12-17(21(25)26-18(15)13-16)20-23-22-19(27-20)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3",JBYNUUNOLLCWRY-UHFFFAOYSA-N,C21H19N3O2S,377.5,377.119798,4.5,83.6,560,0,0,6,5,27,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PHENOXAZIN-5-IUM, 3,7-BIS(DIETHYLAMINO)-, (T-4)-TETRACHLOROZINCATE(2-) (2:1)",063589-47-9,113389,zinc;bis([7-(diethylamino)phenoxazin-3-ylidene]-diethylazanium);tetrachloride,CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2.CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2],"InChI=1S/2C20H26N3O.4ClH.Zn/c2*1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;;;;;/h2*9-14H,5-8H2,1-4H3;4*1H;/q2*+1;;;;;+2/p-4",ADMXOBZMMQYVKF-UHFFFAOYSA-J,C40H52Cl4N6O2Zn,856.1,854.216777,,55.7,533,0,0,10,10,53,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"PYRIDINE, 4-(4-METHYL-1-PIPERIDINYL)-",080965-30-6,157352,4-(4-methylpiperidin-1-yl)pyridine,CC1CCN(CC1)C2=CC=NC=C2,"InChI=1S/C11H16N2/c1-10-4-8-13(9-5-10)11-2-6-12-7-3-11/h2-3,6-7,10H,4-5,8-9H2,1H3",FGWQRDGADJMULT-UHFFFAOYSA-N,C11H16N2,176.26,176.1313485,2.3,16.1,144,0,0,2,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Glycine, N-(2,3-dihydro-1H-inden-2-yl)-N-(N-(1-(ethoxycarbonyl)-3-phenylpropyl",083435-67-0,5362115,"2-[2,3-dihydro-1H-inden-2-yl-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]amino]acetic acid;hydrochloride",CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N(CC(=O)O)C2CC3=CC=CC=C3C2.Cl,"InChI=1S/C26H32N2O5.ClH/c1-3-33-26(32)23(14-13-19-9-5-4-6-10-19)27-18(2)25(31)28(17-24(29)30)22-15-20-11-7-8-12-21(20)16-22;/h4-12,18,22-23,27H,3,13-17H2,1-2H3,(H,29,30);1H/t18-,23-;/m0./s1",FDJCVHVKXFIEPJ-JCNFZFLDSA-N,C26H33ClN2O5,489,488.2077999,,95.9,649,0,3,6,12,34,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, me",091599-74-5,656667,"5-O-[(3R)-1-benzylpiperidin-3-yl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride",CC1=C([C@H](C(=C(N1)C)C(=O)O[C@@H]2CCCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.Cl,"InChI=1S/C28H31N3O6.ClH/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20;/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3;1H/t23-,26-;/m1./s1",KILKDKRQBYMKQX-MIPPOABVSA-N,C28H32ClN3O6,542,541.1979634,,114,933,0,2,8,8,38,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,10-PHENANTHROLINE, MONO(4-METHYLBENZENESULFONATE)",092798-16-8,175526,"4-methylbenzenesulfonic acid;1,10-phenanthroline",CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1,"InChI=1S/C12H8N2.C7H8O3S/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-6-2-4-7(5-3-6)11(8,9)10/h1-8H;2-5H,1H3,(H,8,9,10)",TUHNJTOLXCFPHY-UHFFFAOYSA-N,C19H16N2O3S,352.4,352.0881636,,88.5,389,0,1,5,1,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, me",104757-53-1,443868,"5-O-[(3S)-1-benzylpyrrolidin-3-yl] 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride",CC1=C([C@@H](C(=C(N1)C)C(=O)O[C@H]2CCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.Cl,"InChI=1S/C27H29N3O6.ClH/c1-17-23(26(31)35-3)25(20-10-7-11-21(14-20)30(33)34)24(18(2)28-17)27(32)36-22-12-13-29(16-22)15-19-8-5-4-6-9-19;/h4-11,14,22,25,28H,12-13,15-16H2,1-3H3;1H/t22-,25-;/m0./s1",XEMPUKIZUCIZEY-YSCHMLPRSA-N,C27H30ClN3O6,528,527.1823134,,114,917,0,2,8,8,37,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"6-Heptenoic acid, 7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3,5-dihydr",147526-32-7,5282451,"calcium bis((E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate)",C1C(C1)C2=NC3=CC=CC=C3C(=C2/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C4=CC=C(C=C4)F.C1C(C1)C2=NC3=CC=CC=C3C(=C2/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C4=CC=C(C=C4)F.[Ca+2],"InChI=1S/2C25H24FNO4.Ca/c2*26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31;/h2*1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31);/q;;+2/p-2/b2*12-11+;/t2*18-,19-;/m11./s1",RHGYHLPFVJEAOC-FFNUKLMVSA-L,C50H46CaF2N2O8,881,880.2848136,,187,626,0,4,12,14,63,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,1
ALFAXALONE,023930-19-0,104845,"(3R,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one",CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C,"InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1",DUHUCHOQIDJXAT-OLVMNOGESA-N,C21H32O3,332.5,332.2351449,3.2,54.4,569,0,1,3,1,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ELLIPTICINE,000519-23-3,3213,"5,11-dimethyl-6H-pyrido[4,3-b]carbazole",CC1=C2C=CN=CC2=C(C3=C1NC4=CC=CC=C43)C,"InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3",CTSPAMFJBXKSOY-UHFFFAOYSA-N,C17H14N2,246.31,246.1156985,4.8,28.7,342,0,1,1,0,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DIGITONIN,011024-24-1,6474107,"(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-6-[(1R,2S,3S,4R,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-3,15-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)[C@H]([C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(C[C@H]([C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1,"InChI=1S/C56H92O29/c1-19-7-10-56(75-17-19)20(2)31-45(85-56)37(67)32-22-6-5-21-11-26(24(61)12-55(21,4)23(22)8-9-54(31,32)3)76-50-42(72)39(69)44(30(16-60)80-50)81-53-48(47(36(66)29(15-59)79-53)83-49-40(70)33(63)25(62)18-74-49)84-52-43(73)46(35(65)28(14-58)78-52)82-51-41(71)38(68)34(64)27(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3/t19-,20+,21+,22-,23+,24-,25-,26-,27-,28-,29-,30-,31+,32-,33+,34-,35+,36-,37+,38+,39-,40-,41-,42-,43-,44+,45-,46+,47+,48-,49+,50-,51+,52+,53+,54-,55+,56-/m1/s1",UVYVLBIGDKGWPX-KUAJCENISA-N,C56H92O29,1229.3,1228.572427,-3.9,455,2230,0,17,29,14,85,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,6-BIS(TRIMETHYLTIN)-4, 8-BIS(2-ETHYLHEXYLOXY)BENZO[1,2-B:4,5-B']DITHIOPHENE",1160823-78-8,58261083,"[4,8-bis(2-ethylhexoxy)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane",CCCCC(CC)COC1=C2C=C(SC2=C(C3=C1SC(=C3)[Sn](C)(C)C)OCC(CC)CCCC)[Sn](C)(C)C,"InChI=1S/C26H36O2S2.6CH3.2Sn/c1-5-9-11-19(7-3)17-27-23-21-13-15-30-26(21)24(22-14-16-29-25(22)23)28-18-20(8-4)12-10-6-2;;;;;;;;/h13-14,19-20H,5-12,17-18H2,1-4H3;6*1H3;;",XXMOZDBOAIICDA-UHFFFAOYSA-N,C32H54O2S2Sn2,772.3,772.16033,,74.9,636,0,0,4,16,38,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4'-DIPYRIDYL",000581-47-5,68488,2-pyridin-4-ylpyridine,C1=CC=NC(=C1)C2=CC=NC=C2,InChI=1S/C10H8N2/c1-2-6-12-10(3-1)9-4-7-11-8-5-9/h1-8H,RMHQDKYZXJVCME-UHFFFAOYSA-N,C10H8N2,156.18,156.0687483,1.6,25.8,130,0,0,2,1,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
N-[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]-3-[[(4-METHOXYPHENYL)METHYL]SELENO]-L-ALANINE,150308-80-8,10391603,(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(4-methoxyphenyl)methylselanyl]propanoic acid,COC1=CC=C(C=C1)C[Se]C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24,"InChI=1S/C26H25NO5Se/c1-31-18-12-10-17(11-13-18)15-33-16-24(25(28)29)27-26(30)32-14-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-13,23-24H,14-16H2,1H3,(H,27,30)(H,28,29)/t24-/m0/s1",XCPAYIZRJRMXBI-DEOSSOPVSA-N,C26H25NO5Se,510.4,511.08979,,84.9,631,0,2,5,10,33,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,1,0,1,1
TRIPHENYLTIN HYDROXIDE,000076-87-9,9907219,triphenylstannanylium hydroxide,C1=CC=C(C=C1)[Sn+](C2=CC=CC=C2)C3=CC=CC=C3.[OH-],InChI=1S/3C6H5.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H2;/q;;;;+1/p-1,BFWMWWXRWVJXSE-UHFFFAOYSA-M,C18H16OSn,367,368.022318,,1,202,0,1,1,3,20,400 °C,,1,1,1,1,0,1,1,1,0,0,0,0,0,1,0,0,1,0,1,1
"3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-(((4-(1,1-dimethylethyl)p",096489-71-3,91754,2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloropyridazin-3-one,CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl,"InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3",DWFZBUWUXWZWKD-UHFFFAOYSA-N,C19H25ClN2OS,364.9,364.1376123,5.2,58,535,0,0,3,5,24,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
AMINOPHYLLINE,000317-34-0,9433,"bis(1,3-dimethyl-7H-purine-2,6-dione);ethane-1,2-diamine",CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CN)N,"InChI=1S/2C7H8N4O2.C2H8N2/c2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h2*3H,1-2H3,(H,8,9);1-4H2",FQPFAHBPWDRTLU-UHFFFAOYSA-N,C16H24N10O4,420.43,420.1981993,,191,273,0,4,8,1,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ISOTHIAZOLINONE CHLORIDE,055965-84-9,41679,"5-chloro-2-methyl-1,2-thiazol-3-one;2-methyl-1,2-thiazol-3-one",CN1C(=O)C=CS1.CN1C(=O)C=C(S1)Cl,"InChI=1S/C4H4ClNOS.C4H5NOS/c1-6-4(7)2-3(5)8-6;1-5-4(6)2-3-7-5/h2H,1H3;2-3H,1H3",QYYMDNHUJFIDDQ-UHFFFAOYSA-N,C8H9ClN2O2S2,264.8,263.9793976,,91.2,277,0,0,4,0,15,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
INDOXACARB,173584-44-6,107720,"methyl (4aS)-7-chloro-2-[methoxycarbonyl-[4-(trifluoromethoxy)phenyl]carbamoyl]-3,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a-carboxylate",COC(=O)[C@]12CC3=C(C1=NN(CO2)C(=O)N(C4=CC=C(C=C4)OC(F)(F)F)C(=O)OC)C=CC(=C3)Cl,"InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3/t21-/m0/s1",VBCVPMMZEGZULK-NRFANRHFSA-N,C22H17ClF3N3O7,527.8,527.0707121,4.8,107,912,0,0,11,5,36,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
IMIDACLOPRID,0138261-41-3,86287518,(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide,C1CN(/C(=N/[N+](=O)[O-])/N1)CC2=CN=C(C=C2)Cl,"InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)",YWTYJOPNNQFBPC-UHFFFAOYSA-N,C9H10ClN5O2,255.66,255.0523023,1.2,86.3,319,0,1,4,2,17,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"(T-4)-BIS(1-HYDROXY-2(1H)-PYRIDINETHIONATO-O,S)ZINC",013463-41-7,26041,zinc bis(1-oxidopyridin-1-ium-2-thiolate),C1=CC=[N+](C(=C1)[S-])[O-].C1=CC=[N+](C(=C1)[S-])[O-].[Zn+2],"InChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,8H;/q;;+2/p-2",OTPSWLRZXRHDNX-UHFFFAOYSA-L,C10H8N2O2S2Zn,317.7,315.931862,,52.9,183,0,0,4,2,17,,,1,0,1,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,1,0
"DIBENZ(A,H) ACRIDINE",000226-36-8,9183,"2-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene",C1=CC=C2C(=C1)C=CC3=C2C=C4C=CC5=CC=CC=C5C4=N3,InChI=1S/C21H13N/c1-3-7-17-14(5-1)11-12-20-19(17)13-16-10-9-15-6-2-4-8-18(15)21(16)22-20/h1-13H,JNCSIWAONQTVCF-UHFFFAOYSA-N,C21H13N,279.3,279.1047994,6,12.9,405,0,0,1,0,22,,,0,0,0,1,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0
"1,1'-CARBONYLDIIMIDAZOLE",000530-62-1,68263,di(imidazol-1-yl)methanone,C1=CN(C=N1)C(=O)N2C=CN=C2,InChI=1S/C7H6N4O/c12-7(10-3-1-8-5-10)11-4-2-9-6-11/h1-6H,PFKFTWBEEFSNDU-UHFFFAOYSA-N,C7H6N4O,162.15,162.0541608,-0.2,52.7,166,0,0,3,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
"1,2,7,8-DIEPOXYOCTANE",002426-07-5,17048,2-[4-(oxiran-2-yl)butyl]oxirane,C1C(O1)CCCCC2CO2,"InChI=1S/C8H14O2/c1(3-7-5-9-7)2-4-8-6-10-8/h7-8H,1-6H2",LFKLPJRVSHJZPL-UHFFFAOYSA-N,C8H14O2,142.2,142.0993797,1,25.1,99,0,0,2,5,10,,,0,1,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
CORTICOTROPHIN,009002-60-2,16132265,(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]acetyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-4-carboxy-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid,C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC8=CNC9=CC=CC=C98)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CO)N,"InChI=1S/C207H308N56O58S/c1-108(2)89-140(186(302)240-135(69-74-163(279)280)182(298)254-149(204(320)321)94-117-43-20-15-21-44-117)250-193(309)152-54-35-86-262(152)202(318)147(92-116-41-18-14-19-42-116)252-171(287)114(11)230-175(291)132(66-71-160(273)274)234-170(286)113(10)231-191(307)150(105-265)255-183(299)136(70-75-164(281)282)241-190(306)146(98-165(283)284)249-180(296)133(67-72-161(275)276)235-169(285)112(9)229-157(270)101-225-174(290)145(97-156(213)269)251-194(310)153-55-36-87-263(153)203(319)148(93-119-60-64-123(268)65-61-119)253-199(315)167(110(5)6)257-185(301)129(49-26-30-79-210)243-198(314)168(111(7)8)259-196(312)155-57-38-85-261(155)201(317)139(53-34-83-223-207(218)219)244-178(294)130(51-32-81-221-205(214)215)237-177(293)128(48-25-29-78-209)236-176(292)127(47-24-28-77-208)232-158(271)103-227-197(313)166(109(3)4)258-195(311)154-56-37-84-260(154)200(316)138(50-27-31-80-211)233-159(272)102-226-173(289)143(95-120-99-224-126-46-23-22-45-124(120)126)247-179(295)131(52-33-82-222-206(216)217)238-187(303)142(90-115-39-16-13-17-40-115)246-189(305)144(96-121-100-220-107-228-121)248-181(297)134(68-73-162(277)278)239-184(300)137(76-88-322-12)242-192(308)151(106-266)256-188(304)141(245-172(288)125(212)104-264)91-118-58-62-122(267)63-59-118/h13-23,39-46,58-65,99-100,107-114,125,127-155,166-168,224,264-268H,24-38,47-57,66-98,101-106,208-212H2,1-12H3,(H2,213,269)(H,220,228)(H,225,290)(H,226,289)(H,227,313)(H,229,270)(H,230,291)(H,231,307)(H,232,271)(H,233,272)(H,234,286)(H,235,285)(H,236,292)(H,237,293)(H,238,303)(H,239,300)(H,240,302)(H,241,306)(H,242,308)(H,243,314)(H,244,294)(H,245,288)(H,246,305)(H,247,295)(H,248,297)(H,249,296)(H,250,309)(H,251,310)(H,252,287)(H,253,315)(H,254,298)(H,255,299)(H,256,304)(H,257,301)(H,258,311)(H,259,312)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,320,321)(H4,214,215,221)(H4,216,217,222)(H4,218,219,223)/t112-,113-,114-,125-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,166-,167-,168-/m0/s1",IDLFZVILOHSSID-OVLDLUHVSA-N,C207H308N56O58S,4541,4540.266083,-19.7,1860,11200,0,63,68,148,322,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1,0,0
STAUROSPORINE,062996-74-1,44259,"(2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one",C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC,"InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1",HKSZLNNOFSGOKW-FYTWVXJKSA-N,C28H26N4O3,466.5,466.2004907,3.2,69.5,901,0,2,4,2,35,,,0,0,0,1,0,1,1,0,0,0,1,0,0,1,0,0,0,0,1,0
"4,7-PHENANTHROLINE",000230-07-9,67472,"4,7-phenanthroline",C1=CC2=C(C=CC3=C2C=CC=N3)N=C1,InChI=1S/C12H8N2/c1-3-9-10-4-2-8-14-12(10)6-5-11(9)13-7-1/h1-8H,DATYUTWESAKQQM-UHFFFAOYSA-N,C12H8N2,180.2,180.0687483,2.1,25.8,182,0,0,2,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2',3'-DIDEHYDRO-3'-DEOXYTHYMIDINE",003056-17-5,18283,"1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione",CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO,"InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1",XNKLLVCARDGLGL-JGVFFNPUSA-N,C10H12N2O4,224.21,224.0797069,-0.8,78.9,388,0,2,4,2,16,,,0,0,0,1,0,0,0,1,0,0,1,0,0,1,0,0,1,0,1,1
LEAD ZIRCONATE,012060-01-4,156599387,"1,3-dioxa-2lambda2-plumba-4lambda4-zirconacyclobutane 4-oxide;dioxido(oxo)zirconium;lead(2+)",[O-][Zr](=O)[O-].O=[Zr]1O[Pb]O1.[Pb+2],InChI=1S/6O.2Pb.2Zr/q;;;;2*-1;;+2;;,YCIGSVZVJASUQL-UHFFFAOYSA-N,O6Pb2Zr2,690,691.73219,,98.7,72,0,0,6,0,10,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
BORON PHOSPHATE,013308-51-5,83329,"2,4,5-trioxa-1lambda5-phospha-3-borabicyclo[1.1.1]pentane 1-oxide",B12OP(=O)(O1)O2,InChI=1S/BO4P/c2-6-3-1(4-6)5-6,RKVCQBPDVHFKCU-UHFFFAOYSA-N,BO4P,105.78,105.9627256,,44.8,106,0,0,4,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
ETHYLENE SULFATE,001072-53-3,14075,"1,3,2-dioxathiolane 2,2-dioxide",C1COS(=O)(=O)O1,InChI=1S/C2H4O4S/c3-7(4)5-1-2-6-7/h1-2H2,ZPFAVCIQZKRBGF-UHFFFAOYSA-N,C2H4O4S,124.12,123.9830298,-0.5,61,128,0,0,4,0,7,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"1,2-INDANDIONE",016214-27-0,123358,"3H-indene-1,2-dione",C1C2=CC=CC=C2C(=O)C1=O,"InChI=1S/C9H6O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4H,5H2",WFFZGYRTVIPBFN-UHFFFAOYSA-N,C9H6O2,146.14,146.0367794,0.9,34.1,208,0,0,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
DOXYCYCLINE HYCLATE,024390-14-5,54686183,"bis((4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide);ethanol;hydrate;dihydrochloride",CCO.C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.O.Cl.Cl,"InChI=1S/2C22H24N2O8.C2H6O.2ClH.H2O/c2*1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;1-2-3;;;/h2*4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31);3H,2H2,1H3;2*1H;1H2/t2*7-,10+,14+,15-,17-,22-;;;;/m00..../s1",UHHHTIKWXBRCLT-VDBOFHIQSA-N,C46H58Cl2N4O18,1025.9,1024.312316,,384,958,0,16,20,4,70,,,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
LEAD(II) PHTHALOCYANINE,015187-16-3,636278,"9,18,27,36,37,39,40,41-octaza-38lambda2-plumbadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene",C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C6N4[Pb]N7C(=NC2=N3)C8=CC=CC=C8C7=NC9=NC(=N6)C1=CC=CC=C19,InChI=1S/C32H16N8.Pb/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+2,WSQYJDCCFQPFJC-UHFFFAOYSA-N,C32H16N8Pb,720,720.12644,,82.3,1150,0,0,2,0,41,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
THIAZINE RED R - 1 GM,002150-33-6,160618,"disodium;2-[4-[(1-hydroxy-4-sulfonatonaphthalen-2-yl)diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate",CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC4=C(C5=CC=CC=C5C(=C4)S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C24H17N3O7S3.2Na/c1-13-6-11-18-22(23(13)37(32,33)34)35-24(25-18)14-7-9-15(10-8-14)26-27-19-12-20(36(29,30)31)16-4-2-3-5-17(16)21(19)28;;/h2-12,28H,1H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2",IUCFJXIRNJWRPI-UHFFFAOYSA-L,C24H15N3Na2O7S3,599.6,598.9867519,,217,1030,0,1,11,3,39,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
BIS(PINACOLATO)DIBORON,073183-34-3,2733548,"4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane",B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C,"InChI=1S/C12H24B2O4/c1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h1-8H3",IPWKHHSGDUIRAH-UHFFFAOYSA-N,C12H24B2O4,253.9,254.1860696,,36.9,286,0,0,4,1,18,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
PRIMIDONE,000125-33-7,4909,"5-ethyl-5-phenyl-1,3-diazinane-4,6-dione",CCC1(C(=O)NCNC1=O)C2=CC=CC=C2,"InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)",DQMZLTXERSFNPB-UHFFFAOYSA-N,C12H14N2O2,218.25,218.1055277,0.9,58.2,279,0,2,2,2,16,,,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"(3S,3AS,5AS,9BS)-2,3,3A,4,5,5A,8,9B-OCTAHYDRO-3,5A,9-TRIMETHYLNAPHTHO[1,2-B]FURAN-2,8-DIONE",000481-06-1,221071,"(3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione",C[C@H]1[C@@H]2CC[C@]3(C=CC(=O)C(=C3[C@H]2OC1=O)C)C,"InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1",XJHDMGJURBVLLE-BOCCBSBMSA-N,C15H18O3,246.3,246.1255944,2.3,43.4,500,0,0,3,0,18,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-((2-AMINOETHYOXY)METHYL)-4-(2-CHLOROPHENYL)-1,4-DIHYDRO-6-METHYL-3,5-PYRIDINEDICARBOXYLIC ACID (+-)-3-ETHYL 5-METHYL ESTER MONOBENZENESULFONATE",111470-99-6,60496,"benzenesulfonic acid;3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate",CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C1=CC=C(C=C1)S(=O)(=O)O,"InChI=1S/C20H25ClN2O5.C6H6O3S/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;7-10(8,9)6-4-2-1-3-5-6/h5-8,17,23H,4,9-11,22H2,1-3H3;1-5H,(H,7,8,9)",ZPBWCRDSRKPIDG-UHFFFAOYSA-N,C26H31ClN2O8S,567.1,566.1489648,,163,830,0,3,10,11,38,,,1,0,1,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
TRICYCLOHEXYLPHOSPHONIUM TETRAFLUOROBATE,058656-04-5,11710396,tricyclohexylphosphanium tetrafluoroborate,[B-](F)(F)(F)F.C1CCC(CC1)[PH+](C2CCCCC2)C3CCCCC3,"InChI=1S/C18H33P.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h16-18H,1-15H2;/q;-1/p+1",MYSMMEUXKHJYKH-UHFFFAOYSA-O,C18H34BF4P,368.2,368.2427309,,0,221,0,0,5,3,24,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-(4,6-DIMETHOXY-1,3,5-TRIAZIN-2-YL)-4-METHYLMORPHOLINIUM CHLORIDE",003945-69-5,2734059,"4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium chloride",C[N+]1(CCOCC1)C2=NC(=NC(=N2)OC)OC.[Cl-],"InChI=1S/C10H17N4O3.ClH/c1-14(4-6-17-7-5-14)8-11-9(15-2)13-10(12-8)16-3;/h4-7H2,1-3H3;1H/q+1;/p-1",BMTZEAOGFDXDAD-UHFFFAOYSA-M,C10H17ClN4O3,276.72,276.0989181,,66.4,236,0,0,7,3,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1-[2-[BIS(TERT-BUTYL)PHOSPHINO]PHENYL]-3,5-DIPHENYL-1H-PYRAZOLE",628333-86-8,11430600,"ditert-butyl-[2-(3,5-diphenylpyrazol-1-yl)phenyl]phosphane",CC(C)(C)P(C1=CC=CC=C1N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(C)(C)C,"InChI=1S/C29H33N2P/c1-28(2,3)32(29(4,5)6)27-20-14-13-19-25(27)31-26(23-17-11-8-12-18-23)21-24(30-31)22-15-9-7-10-16-22/h7-21H,1-6H3",JAIIBHBCNPAPPF-UHFFFAOYSA-N,C29H33N2P,440.6,440.2381361,6.8,17.8,565,0,0,1,6,32,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-METHYLIMIDAZOLE ZINC SALT,059061-53-9,15245636,zinc bis(2-methylimidazol-3-ide),CC1=NC=C[N-]1.CC1=NC=C[N-]1.[Zn+2],"InChI=1S/2C4H5N2.Zn/c2*1-4-5-2-3-6-4;/h2*2-3H,1H3;/q2*-1;+2",MFLKDEMTKSVIBK-UHFFFAOYSA-N,C8H10N4Zn,227.6,226.019688,,27.8,109,0,0,4,0,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ABT-199,1257044-40-8,49846579,"4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide",CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C,"InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)",LQBVNQSMGBZMKD-UHFFFAOYSA-N,C45H50ClN7O7S,868.4,867.3180958,8.2,183,1640,0,3,11,12,61,,,0,0,0,1,0,0,1,1,0,0,1,0,0,1,1,0,1,1,1,1
REMDESIVIR,1809249-37-3,121304016,"2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate",CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1[C@H]([C@H]([C@](O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4,"InChI=1S/C27H35N6O8P/c1-4-18(5-2)13-38-26(36)17(3)32-42(37,41-19-9-7-6-8-10-19)39-14-21-23(34)24(35)27(15-28,40-21)22-12-11-20-25(29)30-16-31-33(20)22/h6-12,16-18,21,23-24,34-35H,4-5,13-14H2,1-3H3,(H,32,37)(H2,29,30,31)/t17-,21+,23+,24+,27-,42-/m0/s1",RWWYLEGWBNMMLJ-YSOARWBDSA-N,C27H35N6O8P,602.6,602.2253991,1.9,204,1010,0,4,13,14,42,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
IMIDAZOLE SODIUM DERIVATIVE,005587-42-8,4605971,sodium imidazol-3-ide,C1=CN=C[N-]1.[Na+],InChI=1S/C3H3N2.Na/c1-2-5-3-4-1;/h1-3H;/q-1;+1,ITAWMPSVROAMOE-UHFFFAOYSA-N,C3H3N2Na,90.06,90.01939239,,13.9,32,0,0,2,0,6,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,1'-CARBONYL-DI-(1,2,4-TRIAZOLE)",041864-22-6,4393961,"bis(1,2,4-triazol-1-yl)methanone",C1=NN(C=N1)C(=O)N2C=NC=N2,InChI=1S/C5H4N6O/c12-5(10-3-6-1-8-10)11-4-7-2-9-11/h1-4H,YHNUDLCUIKMNSN-UHFFFAOYSA-N,C5H4N6O,164.13,164.0446588,0.1,78.5,167,0,0,5,0,12,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
"BENZENESULFONAMIDE, 4-AMINO-N-2-QUINOXALINYL-",000059-40-5,5338,4-amino-N-quinoxalin-2-ylbenzenesulfonamide,C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)N,"InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18)",NHZLNPMOSADWGC-UHFFFAOYSA-N,C14H12N4O2S,300.34,300.0680968,1.7,106,442,0,2,6,3,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-(PHENYLMETHYL)-, CHLORIDE",000100-94-7,101569,dibenzyl(dimethyl)azanium chloride,C[N+](C)(CC1=CC=CC=C1)CC2=CC=CC=C2.[Cl-],"InChI=1S/C16H20N.ClH/c1-17(2,13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16;/h3-12H,13-14H2,1-2H3;1H/q+1;/p-1",LCXAARCEIWRIMU-UHFFFAOYSA-M,C16H20ClN,261.79,261.1284273,,0,188,0,0,1,4,18,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"19-Nor-17-alpha-pregna-1,3,5(10)-trien-20-yn-17-ol, 3-(cyclopentyloxy)-",000152-43-2,9046,"(8R,9S,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC5CCCC5,"InChI=1S/C25H32O2/c1-3-25(26)15-13-23-22-10-8-17-16-19(27-18-6-4-5-7-18)9-11-20(17)21(22)12-14-24(23,25)2/h1,9,11,16,18,21-23,26H,4-8,10,12-15H2,2H3/t21-,22-,23+,24+,25+/m1/s1",PWZUUYSISTUNDW-VAFBSOEGSA-N,C25H32O2,364.5,364.2402303,5.3,29.5,613,0,1,2,3,27,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
PIRITRAMIDE (PIRIDOLAN),000302-41-0,9331,"1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide",C1CCN(CC1)C2(CCN(CC2)CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N,"InChI=1S/C27H34N4O/c28-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)14-19-30-20-15-27(16-21-30,25(29)32)31-17-8-3-9-18-31/h1-2,4-7,10-13H,3,8-9,14-21H2,(H2,29,32)",IHEHEFLXQFOQJO-UHFFFAOYSA-N,C27H34N4O,430.6,430.2732617,3.7,73.4,638,0,1,4,7,32,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,1,0,1,1,0,1
"17-CYCLOPENTANEPROPANOATE-ESTRA-1,3,5(10)-TRIENE-3,17-DIOL (17.BETA.)",000313-06-4,9403,"[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4CCCC4)CCC5=C3C=CC(=C5)O,"InChI=1S/C26H36O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h8,10,16-17,21-24,27H,2-7,9,11-15H2,1H3/t21-,22-,23+,24+,26+/m1/s1",UOACKFBJUYNSLK-XRKIENNPSA-N,C26H36O3,396.6,396.266445,7.1,46.5,597,0,1,3,5,29,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1H-PURINE-2,6-DIONE, 8-CHLORO-3,7-DIHYDRO-1,3-DIMETHYL-, COMPD. WITH 2-(DIPHEN",000523-87-5,10660,"2-benzhydryloxy-N,N-dimethylethanamine;8-chloro-1,3-dimethyl-7H-purine-2,6-dione",CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C17H21NO.C7H7ClN4O2/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h3-12,17H,13-14H2,1-2H3;1-2H3,(H,9,10)",NFLLKCVHYJRNRH-UHFFFAOYSA-N,C24H28ClN5O3,470,469.1880675,,81.8,509,0,1,5,6,33,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHONIUM, [3-METHYL-5-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-2,4-PENTADIENYL]T",000751-83-7,6441275,"[(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl]-triphenylphosphanium sulfate",CC1=C(C(CCC1)(C)C)/C=C/C(=C/C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C.[O-]S(=O)(=O)[O-],"InChI=1S/C33H38P.H2O4S/c1-27(22-23-32-28(2)15-14-25-33(32,3)4)24-26-34(29-16-8-5-9-17-29,30-18-10-6-11-19-30)31-20-12-7-13-21-31;1-5(2,3)4/h5-13,16-24H,14-15,25-26H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2/b23-22+,27-24+;",QRRZHKMNYAFCEA-IUKQBHTCSA-L,C33H38O4PS-,561.7,561.2228429,,88.6,749,-1,0,4,7,39,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-IMIDAZOLE, 4,5-DIHYDRO-2-PHENYL-",000936-49-2,13639,"2-phenyl-4,5-dihydro-1H-imidazole",C1CN=C(N1)C2=CC=CC=C2,"InChI=1S/C9H10N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2,(H,10,11)",BKCCAYLNRIRKDJ-UHFFFAOYSA-N,C9H10N2,146.19,146.0843983,0.9,24.4,157,0,1,1,1,11,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Urea, 1-((p-chlorophenyl)sulfonyl)-3-cyclohexyl-",000963-03-1,70403,1-(4-chlorophenyl)sulfonyl-3-cyclohexylurea,C1CCC(CC1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl,"InChI=1S/C13H17ClN2O3S/c14-10-6-8-12(9-7-10)20(18,19)16-13(17)15-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,15,16,17)",TYZHJGCYLYXPSB-UHFFFAOYSA-N,C13H17ClN2O3S,316.8,316.0648413,3.4,83.7,421,0,2,3,3,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-QUINOXALINEDITHIONE, 1,4-DIHYDRO-",001199-03-7,2735127,"1,4-dihydroquinoxaline-2,3-dithione",C1=CC=C2C(=C1)NC(=S)C(=S)N2,"InChI=1S/C8H6N2S2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,11)(H,10,12)",YFBUDXNMBTUSOC-UHFFFAOYSA-N,C8H6N2S2,194.3,193.9972406,2.1,88.2,203,0,2,2,0,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"GERMANE, DICHLORODIPHENYL-",001613-66-7,74167,dichloro(diphenyl)germane,C1=CC=C(C=C1)[Ge](C2=CC=CC=C2)(Cl)Cl,"InChI=1S/C12H10Cl2Ge/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H",PFPTYRFVUHDUIN-UHFFFAOYSA-N,C12H10Cl2Ge,297.7,297.9371335,,0,174,0,0,0,2,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(3H)-THIAZOLETHIONE, 4-PHENYL-",002103-88-0,3000729,"4-phenyl-3H-1,3-thiazole-2-thione",C1=CC=C(C=C1)C2=CSC(=S)N2,"InChI=1S/C9H7NS2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)",CYCKHTAVNBPQDB-UHFFFAOYSA-N,C9H7NS2,193.3,193.0019916,2.5,69.4,217,0,1,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
BISAZOBIPHENYL DYE,002429-81-4,17065,"tetrasodium;5-[[4-[4-[[2,6-diamino-3-[[8-hydroxy-3,6-disulfonato-7-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalen-2-yl]diazenyl]-5-methylphenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate",CC1=CC(=C(C(=C1N)N=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=NC4=CC(=C(C=C4)O)C(=O)[O-])N)N=NC5=C(C=C6C=C(C(=C(C6=C5)O)N=NC7=CC=C(C8=CC=CC=C87)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C46H34N10O13S3.4Na/c1-23-18-36(42(48)44(41(23)47)56-50-28-12-8-25(9-13-28)24-6-10-27(11-7-24)49-51-29-14-16-37(57)33(21-29)46(59)60)54-53-35-22-32-26(19-39(35)71(64,65)66)20-40(72(67,68)69)43(45(32)58)55-52-34-15-17-38(70(61,62)63)31-5-3-2-4-30(31)34;;;;/h2-22,57-58H,47-48H2,1H3,(H,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69);;;;/q;4*+1/p-4",DWAUTGHCJRNULO-UHFFFAOYSA-J,C46H30N10Na4O13S3,1118.9,1118.074672,,428,2290,0,4,23,9,76,,,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-PHENYL-, CHLORIDE",003204-68-0,76668,benzyl-dimethyl-phenylazanium chloride,C[N+](C)(CC1=CC=CC=C1)C2=CC=CC=C2.[Cl-],"InChI=1S/C15H18N.ClH/c1-16(2,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14;/h3-12H,13H2,1-2H3;1H/q+1;/p-1",QLRKASHXFNIPLZ-UHFFFAOYSA-M,C15H18ClN,247.76,247.1127773,,0,197,0,0,1,3,17,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
DIGLYCIDYL ESTER OF PHTHALIC ACID,007195-45-1,62629,"bis(oxiran-2-ylmethyl) benzene-1,2-dicarboxylate",C1C(O1)COC(=O)C2=CC=CC=C2C(=O)OCC3CO3,"InChI=1S/C14H14O6/c15-13(19-7-9-5-17-9)11-3-1-2-4-12(11)14(16)20-8-10-6-18-10/h1-4,9-10H,5-8H2",JRPRCOLKIYRSNH-UHFFFAOYSA-N,C14H14O6,278.26,278.0790382,1.1,77.7,346,0,0,6,8,20,,,0,0,0,1,0,1,0,1,0,0,1,0,0,1,0,0,0,1,0,0
ESTROPIPATE,007280-37-7,5284555,"[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate;piperazine",C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O.C1CNCCN1,"InChI=1S/C18H22O5S.C4H10N2/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;1-2-6-4-3-5-1/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);5-6H,1-4H2/t14-,15-,16+,18+;/m1./s1",HZEQBCVBILBTEP-ZFINNJDLSA-N,C22H32N2O5S,436.6,436.2031933,,113,650,0,3,7,2,30,,,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1,3,5,7,9-PENTAOXA-2.LAMBDA.2,4.LAMBDA.2,6.LAMBDA.2,8.LAMBDA.2-TETRAPLUMBACYCL",012275-07-9,44150982,"(11Z)-1,3,5,7,9-pentaoxa-2lambda2,4lambda2,6lambda2,8lambda2-tetraplumbacyclotridec-11-ene-10,13-dione",C\1=C\C(=O)O[Pb]O[Pb]O[Pb]O[Pb]OC1=O,"InChI=1S/C4H4O4.3O.4Pb/c5-3(6)1-2-4(7)8;;;;;;;/h1-2H,(H,5,6)(H,7,8);;;;;;;/q;;;;;;2*+1/p-2/b2-1-;;;;;;;",IJCPCGITVCYKNU-CRJLSQNGSA-L,C4H2O7Pb4,990,990.88372,,80.3,231,0,0,7,0,15,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"QUINOLINIUM, 1-(PHENYLMETHYL)-, CHLORIDE",015619-48-4,85025,1-benzylquinolin-1-ium chloride,C1=CC=C(C=C1)C[N+]2=CC=CC3=CC=CC=C32.[Cl-],"InChI=1S/C16H14N.ClH/c1-2-7-14(8-3-1)13-17-12-6-10-15-9-4-5-11-16(15)17;/h1-12H,13H2;1H/q+1;/p-1",GFEJZIULYONCQB-UHFFFAOYSA-M,C16H14ClN,255.74,255.0814771,,3.9,232,0,0,1,2,18,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Dibenzo(c,f)pyrazino(1,2-a)azepine, 1,2,3,4,10,14b-hexahydro-2-methyl-, monohy",021535-47-7,68551,"5-methyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene;hydrochloride",CN1CCN2C(C1)C3=CC=CC=C3CC4=CC=CC=C42.Cl,"InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H",YNPFMWCWRVTGKJ-UHFFFAOYSA-N,C18H21ClN2,300.8,300.1393264,,6.5,342,0,1,2,0,21,,,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1
"QUINOLINE, 2-(PHENYLTHIO)-",022190-12-1,89621,2-phenylsulfanylquinoline,C1=CC=C(C=C1)SC2=NC3=CC=CC=C3C=C2,InChI=1S/C15H11NS/c1-2-7-13(8-3-1)17-15-11-10-12-6-4-5-9-14(12)16-15/h1-11H,BCOSVBKPHCKEII-UHFFFAOYSA-N,C15H11NS,237.32,237.0612205,4.6,38.2,237,0,0,2,2,17,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1,2,4-TRIAZOLIUM, 1,4-DIMETHYL-5-[[4-[METHYL(PHENYLMETHYL)AMINO]PHENYL]AZO]",029508-47-2,6400575,"N-benzyl-4-[(2,5-dimethyltriazol-1-ium-1-yl)diazenyl]-N-methylaniline chloride",CC1=[N+](N(N=C1)C)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3.[Cl-],"InChI=1S/C18H21N6.ClH/c1-15-13-19-23(3)24(15)21-20-17-9-11-18(12-10-17)22(2)14-16-7-5-4-6-8-16;/h4-13H,14H2,1-3H3;1H/q+1;/p-1",VAHZZJOEFIYVCL-UHFFFAOYSA-M,C18H21ClN6,356.9,356.1516224,,49.7,400,0,0,5,5,25,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Morphinan-6-one, 4,5-alpha-epoxy-3-methoxy-17-methyl-, tartrate (1:1)",034195-34-1,165339260,"bis((4R,4aR,12bS)-9-methoxy-3-methyl-2,3,4,4a,5,6,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one);bis((2R,3R)-2,3,4-trihydroxy-4-oxobutanoate);pentahydrate",C[NH+]1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)OC3C(=O)CC4.C[NH+]1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)OC3C(=O)CC4.[C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O.[C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O.O.O.O.O.O,"InChI=1S/2C18H21NO3.2C4H6O6.5H2O/c2*1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;2*5-1(3(7)8)2(6)4(9)10;;;;;/h2*3,6,11-12,17H,4-5,7-9H2,1-2H3;2*1-2,5-6H,(H,7,8)(H,9,10);5*1H2/t2*11-,12+,17?,18-;2*1-,2-;;;;;/m0011...../s1",JMBRWJAVUIITGV-LFGRBNGNSA-N,C44H64N2O23,989,988.3899863,,321,655,0,13,23,6,69,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,1
"1-PYRROLIDINECARBOXAMIDE, N-(4-CHLOROPHENYL)-",035640-09-6,118853,N-(4-chlorophenyl)pyrrolidine-1-carboxamide,C1CCN(C1)C(=O)NC2=CC=C(C=C2)Cl,"InChI=1S/C11H13ClN2O/c12-9-3-5-10(6-4-9)13-11(15)14-7-1-2-8-14/h3-6H,1-2,7-8H2,(H,13,15)",RTBUUFKTGZOHCA-UHFFFAOYSA-N,C11H13ClN2O,224.68,224.0716407,2.2,32.3,221,0,1,1,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1,2,4-TRIAZOLIUM, 1,4-DIMETHYL-5-[[4-[METHYL(PHENYLMETHYL)AMINO]PHENYL]AZO]",038845-47-5,170129,"N-benzyl-4-[(2,4-dimethyl-3H-1,2,4-triazol-3-yl)diazenyl]-N-methylaniline;trichlorozinc(1-)",CN1C=NN(C1N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3)C.Cl[Zn-](Cl)Cl,"InChI=1S/C18H22N6.3ClH.Zn/c1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)20-21-18-23(2)14-19-24(18)3;;;;/h4-12,14,18H,13H2,1-3H3;3*1H;/q;;;;+2/p-3",LEQFLSMIOLELKR-UHFFFAOYSA-K,C18H22Cl3N6Zn-,494.1,491.026295,,46.8,445,-1,0,6,5,28,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H-1,2,4-TRIAZOLE, SODIUM SALT",041253-21-8,4649906,"sodium 2,4-diaza-1-azanidacyclopenta-2,4-diene",C1=NC=N[N-]1.[Na+],InChI=1S/C2H2N3.Na/c1-3-2-5-4-1;/h1-2H;/q-1;+1,NVMNEWNGLGACBB-UHFFFAOYSA-N,C2H2N3Na,91.05,91.01464136,,26.8,32,0,0,3,0,6,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
"1H-1,2,4-TRIAZOLIUM, DIMETHYL-3-[[4-[METHYL(PHENYLMETHYL)AMINO]PHENYL]AZO]-, T",052769-39-8,162130,"N-benzyl-4-[(1,5-dimethyl-1H-1,2,4-triazol-1-ium-3-yl)diazenyl]-N-methylaniline;trichlorozinc(1-)",CC1=NC(=N[NH+]1C)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3.Cl[Zn-](Cl)Cl,"InChI=1S/C18H20N6.3ClH.Zn/c1-14-19-18(22-24(14)3)21-20-16-9-11-17(12-10-16)23(2)13-15-7-5-4-6-8-15;;;;/h4-12H,13H2,1-3H3;3*1H;/q;;;;+2/p-2",UJMDVTKFXQDFKJ-UHFFFAOYSA-L,C18H21Cl3N6Zn,493.1,490.01847,,57.1,506,0,1,4,5,28,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"ZINC, BIS[2-HYDROXY-3,5-BIS(1-PHENYLETHYL)BENZOATO-O1,O2]-, (T-4)-",053770-52-8,54682895,"zinc bis(2-carboxy-4,6-bis(1-phenylethyl)phenolate)",CC(C1=CC=CC=C1)C2=CC(=C(C(=C2)C(=O)O)[O-])C(C)C3=CC=CC=C3.CC(C1=CC=CC=C1)C2=CC(=C(C(=C2)C(=O)O)[O-])C(C)C3=CC=CC=C3.[Zn+2],"InChI=1S/2C23H22O3.Zn/c2*1-15(17-9-5-3-6-10-17)19-13-20(22(24)21(14-19)23(25)26)16(2)18-11-7-4-8-12-18;/h2*3-16,24H,1-2H3,(H,25,26);/q;;+2/p-2",XTUPUYCJWKHGSW-UHFFFAOYSA-L,C46H42O6Zn,756.2,754.227281,,121,450,0,2,6,10,53,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENAMINE, 4-(HEXAHYDRO-1H-AZEPIN-1-YL)-",057356-18-0,93643,4-(azepan-1-yl)aniline,C1CCCN(CC1)C2=CC=C(C=C2)N,"InChI=1S/C12H18N2/c13-11-5-7-12(8-6-11)14-9-3-1-2-4-10-14/h5-8H,1-4,9-10,13H2",RDUONPQXZRHVKQ-UHFFFAOYSA-N,C12H18N2,190.28,190.1469986,3.1,29.3,154,0,1,2,1,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SULFURIC ACID, DIMETHYL ESTER, COMPD. WITH N-METHYL-N-[4-[(1-METHYL-1H-1,2,4-T",062163-53-5,162968,"N-benzyl-N-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)diazenyl]aniline;dimethyl sulfate",CN1C(=NC=N1)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3.COS(=O)(=O)OC,"InChI=1S/C17H18N6.C2H6O4S/c1-22(12-14-6-4-3-5-7-14)16-10-8-15(9-11-16)20-21-17-18-13-19-23(17)2;1-5-7(3,4)6-2/h3-11,13H,12H2,1-2H3;1-2H3",QGYNZGBQZXGRGO-UHFFFAOYSA-N,C19H24N6O4S,432.5,432.1579744,,120,480,0,0,9,7,30,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZ[CD]INDOLIUM, 1-ETHYL-2-[1,2,3,4-TETRAHYDRO-1-(2-HYDROXYETHYL)-2,2,4-TRIME",063817-45-8,113912,"2-[6-(1-ethylbenzo[cd]indol-2-ylidene)-2,2,4-trimethyl-3,4-dihydroquinolin-1-ium-1-yl]ethanol chloride",CCN1C2=CC=CC3=C2C(=CC=C3)C1=C4C=CC5=[N+](C(CC(C5=C4)C)(C)C)CCO.[Cl-],"InChI=1S/C27H31N2O.ClH/c1-5-28-24-11-7-9-19-8-6-10-21(25(19)24)26(28)20-12-13-23-22(16-20)18(2)17-27(3,4)29(23)14-15-30;/h6-13,16,18,30H,5,14-15,17H2,1-4H3;1H/q+1;/p-1",NNBSQWDAIOZMOM-UHFFFAOYSA-M,C27H31ClN2O,435,434.2124913,,26.5,830,0,1,3,3,31,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Retinamide, N-(4-hydroxyphenyl)-",065646-68-6,5288209,"(2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide",CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)NC2=CC=C(C=C2)O)/C)/C,"InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+",AKJHMTWEGVYYSE-FXILSDISSA-N,C26H33NO2,391.5,391.2511293,7.3,49.3,726,0,2,2,6,29,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"1H-INDOLE-2-CARBOXALDEHYDE, 2,3-DIHYDRO-2-HYDROXY-1,3,3-TRIMETHYL-,(4-METHOXYP",081241-99-8,9589450,"(2S)-2-[(E)-[(4-methoxyphenyl)-methylhydrazinylidene]methyl]-1,3,3-trimethylindol-2-ol",CC1(C2=CC=CC=C2N([C@]1(/C=N/N(C)C3=CC=C(C=C3)OC)O)C)C,"InChI=1S/C20H25N3O2/c1-19(2)17-8-6-7-9-18(17)22(3)20(19,24)14-21-23(4)15-10-12-16(25-5)13-11-15/h6-14,24H,1-5H3/b21-14+/t20-/m1/s1",WFEBUOOJHMTGLF-DOAWATSRSA-N,C20H25N3O2,339.4,339.1946771,4,48.3,487,0,1,5,4,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4-Azaandrost-1-ene-17-carboxamide, N-(1,1-dimethylethyl)-3-oxo-, (5-alpha,17-b",098319-26-7,57363,"(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C,"InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1",DBEPLOCGEIEOCV-WSBQPABSSA-N,C23H36N2O2,372.5,372.2776784,3,58.2,678,0,2,2,2,27,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Butanoic acid, 2-((2-furanylmethyl)(1H-imidazol-1-ylcarbonyl)amino)-, 4-penten",101903-30-4,93532,pent-4-enyl 2-[furan-2-ylmethyl(imidazole-1-carbonyl)amino]butanoate,CCC(C(=O)OCCCC=C)N(CC1=CC=CO1)C(=O)N2C=CN=C2,"InChI=1S/C18H23N3O4/c1-3-5-6-11-25-17(22)16(4-2)21(13-15-8-7-12-24-15)18(23)20-10-9-19-14-20/h3,7-10,12,14,16H,1,4-6,11,13H2,2H3",WBTYBAGIHOISOQ-UHFFFAOYSA-N,C18H23N3O4,345.4,345.1688562,2.8,77.6,458,0,0,5,10,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,1
"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-amino-6-methyl-4-(3-nitrophenyl)-",123524-52-7,65948,"3-O-(1-benzhydrylazetidin-3-yl) 5-O-propan-2-yl 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC(C)C,"InChI=1S/C33H34N4O6/c1-20(2)42-32(38)27-21(3)35-31(34)29(28(27)24-15-10-16-25(17-24)37(40)41)33(39)43-26-18-36(19-26)30(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-17,20,26,28,30,35H,18-19,34H2,1-3H3",ZKFQEACEUNWPMT-UHFFFAOYSA-N,C33H34N4O6,582.6,582.2478348,6,140,1080,0,2,9,10,43,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
CY5 (MONO-REACTIVE),146368-14-1,126969923,"2-[5-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate",CCN1C2=C(C=C(C=C2)S(=O)(=O)[O-])C(C1=CC=CC=CC3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)O)CCCCCC(=O)ON5C(=O)CCC5=O)(C)C,"InChI=1S/C37H43N3O10S2/c1-6-38-29-18-16-25(51(44,45)46)23-27(29)36(2,3)31(38)13-9-7-10-14-32-37(4,5)28-24-26(52(47,48)49)17-19-30(28)39(32)22-12-8-11-15-35(43)50-40-33(41)20-21-34(40)42/h7,9-10,13-14,16-19,23-24H,6,8,11-12,15,20-22H2,1-5H3,(H-,44,45,46,47,48,49)",WXWLHDCCGVWTDZ-UHFFFAOYSA-N,C37H43N3O10S2,753.9,753.2389869,4,198,1720,0,1,11,13,52,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"3-(1-METHYLETHYL)-1H-2,1,3-BENZOTHIADIAZIN-4(3H)-ONE 2,2-DIOXIDE, SODIUM SALT",050723-80-3,13124860,"sodium 2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-1-id-4-one",CC(C)N1C(=O)C2=CC=CC=C2[N-]S1(=O)=O.[Na+],"InChI=1S/C10H12N2O3S.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;/h3-7H,1-2H3,(H,11,13);/q;+1/p-1",NCLRGQCNIDLTDW-UHFFFAOYSA-M,C10H11N2NaO3S,262.26,262.0388077,,63.8,391,0,0,4,1,17,,,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,1,0,0
O-TERPHENYL,000084-15-1,6766,"1,2-diphenylbenzene",C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=CC=C3,InChI=1S/C18H14/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h1-14H,OIAQMFOKAXHPNH-UHFFFAOYSA-N,C18H14,230.3,230.1095504,6,0,206,0,0,0,2,18,"325 °F (NIOSH, 2024)","630 °F at 760 mmHg (NIOSH, 2024)",1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
RESERPINE,000050-55-5,5770,"methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate",CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC,"InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1",QEVHRUUCFGRFIF-MDEJGZGSSA-N,C33H40N2O9,608.7,608.2733809,4,118,1000,0,1,10,10,44,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"N,N'-DIPHENYL BENZIDINE",000531-91-9,68280,4-(4-anilinophenyl)-N-phenylaniline,C1=CC=C(C=C1)NC2=CC=C(C=C2)C3=CC=C(C=C3)NC4=CC=CC=C4,"InChI=1S/C24H20N2/c1-3-7-21(8-4-1)25-23-15-11-19(12-16-23)20-13-17-24(18-14-20)26-22-9-5-2-6-10-22/h1-18,25-26H",FDRNXKXKFNHNCA-UHFFFAOYSA-N,C24H20N2,336.4,336.1626486,6.6,24.1,343,0,2,2,5,26,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"OXALIC ACID, BIS(CYCLOHEXYLIDENEHYDRAZIDE)",000370-81-0,9723,"N,N'-bis(cyclohexylideneamino)oxamide",C1CCC(=NNC(=O)C(=O)NN=C2CCCCC2)CC1,"InChI=1S/C14H22N4O2/c19-13(17-15-11-7-3-1-4-8-11)14(20)18-16-12-9-5-2-6-10-12/h1-10H2,(H,17,19)(H,18,20)",DSRJIHMZAQEUJV-UHFFFAOYSA-N,C14H22N4O2,278.35,278.174276,1.6,82.9,373,0,2,4,2,20,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PERHYDROPYRENE,002435-85-0,75524,"1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene",C1CC2CCC3CCCC4C3C2C(C1)CC4,"InChI=1S/C16H26/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h11-16H,1-10H2",BYBPEZLZCGOWIS-UHFFFAOYSA-N,C16H26,218.38,218.2034508,6.3,0,217,0,0,0,0,16,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-BROMO-4-CHLORO-3-INDOLYLPHOSPHATE, P-TOLUIDINE SALT",006578-06-9,81059,(5-bromo-4-chloro-1H-indol-3-yl) dihydrogen phosphate;4-methylaniline,CC1=CC=C(C=C1)N.C1=CC(=C(C2=C1NC=C2OP(=O)(O)O)Cl)Br,"InChI=1S/C8H6BrClNO4P.C7H9N/c9-4-1-2-5-7(8(4)10)6(3-11-5)15-16(12,13)14;1-6-2-4-7(8)5-3-6/h1-3,11H,(H2,12,13,14);2-5H,8H2,1H3",QEIFSLUFHRCVQL-UHFFFAOYSA-N,C15H15BrClN2O4P,433.62,431.96413,,109,377,0,4,5,2,24,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,1'-DIACETYLFERROCENE",001273-94-5,11984612,"1-cyclopenta-2,4-dien-1-ylethanone;1-cyclopentylethanone;iron",CC(=O)[C-]1[CH-][CH-][CH-][CH-]1.CC(=O)[C-]1C=CC=C1.[Fe],"InChI=1S/2C7H7O.Fe/c2*1-6(8)7-4-2-3-5-7;/h2*2-5H,1H3;/q-5;-1;",DAVCBKPWWUUYNL-UHFFFAOYSA-N,C14H14FeO2-6,270.1,270.034315,,34.1,271,-6,0,8,2,17,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"13H-DIBENZO(A,I)CARBAZOLE",000239-64-5,9200,"12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene",C1=CC=C2C(=C1)C=CC3=C2NC4=C3C=CC5=CC=CC=C54,"InChI=1S/C20H13N/c1-3-7-15-13(5-1)9-11-17-18-12-10-14-6-2-4-8-16(14)20(18)21-19(15)17/h1-12,21H",IUILSTHMSGDSHQ-UHFFFAOYSA-N,C20H13N,267.3,267.1047994,6.4,15.8,355,0,1,0,0,21,,,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZO(C)CINNOLINE,000230-17-1,9190,benzo[c]cinnoline,C1=CC=C2C(=C1)C3=CC=CC=C3N=N2,InChI=1S/C12H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11/h1-8H,SWJXWSAKHXBQSY-UHFFFAOYSA-N,C12H8N2,180.2,180.0687483,2.4,25.8,182,0,0,2,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-PHENETHYL-4-PIPERIDONE,039742-60-4,96437,1-(2-phenylethyl)piperidin-4-one,C1CN(CCC1=O)CCC2=CC=CC=C2,"InChI=1S/C13H17NO/c15-13-7-10-14(11-8-13)9-6-12-4-2-1-3-5-12/h1-5H,6-11H2",YDJXNYNKKXZBMP-UHFFFAOYSA-N,C13H17NO,203.28,203.1310142,1.7,20.3,199,0,0,2,3,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TREMORINE DIHYDROCHLORIDE,000300-68-5,71074,1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidine;dihydrochloride,C1CCN(C1)CC#CCN2CCCC2.Cl.Cl,"InChI=1S/C12H20N2.2ClH/c1-2-8-13(7-1)11-5-6-12-14-9-3-4-10-14;;/h1-4,7-12H2;2*1H",ASHYBFCDTYPECZ-UHFFFAOYSA-N,C12H22Cl2N2,265.22,264.1160041,,6.5,201,0,2,2,2,16,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PERINAPHTHENONE,000548-39-0,11050,phenalen-1-one,C1=CC2=C3C(=C1)C=CC(=O)C3=CC=C2,InChI=1S/C13H8O/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-8H,WWBGWPHHLRSTFI-UHFFFAOYSA-N,C13H8O,180.2,180.0575149,3.2,17.1,279,0,0,1,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
EXCITON DDI (DDCI),014187-31-6,5702691,"(2E)-1-ethyl-2-[(2E,4E)-5-(1-ethylquinolin-1-ium-2-yl)penta-2,4-dienylidene]quinoline iodide",CCN1/C(=C/C=C/C=C/C2=[N+](C3=CC=CC=C3C=C2)CC)/C=CC4=CC=CC=C41.[I-],"InChI=1S/C27H27N2.HI/c1-3-28-24(20-18-22-12-8-10-16-26(22)28)14-6-5-7-15-25-21-19-23-13-9-11-17-27(23)29(25)4-2;/h5-21H,3-4H2,1-2H3;1H/q+1;/p-1",ZFYDGPJXMYCXNV-UHFFFAOYSA-M,C27H27IN2,506.4,506.1219,,7.1,591,0,0,2,5,30,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"SILVER PROTEIN, MILD",009015-51-4,168266278,"1-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]cyclohexyl]-4-(2-chlorophenyl)but-3-en-2-one;1-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]cyclohexyl]-4-(3-chlorophenyl)but-3-en-2-one;1-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]cyclohexyl]-4-(4-chlorophenyl)but-3-en-2-one;1-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]cyclohexyl]-4-(2-fluorophenyl)but-3-en-2-one;1-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]cyclohexyl]-4-(4-methoxyphenyl)but-3-en-2-one;1-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]cyclohexyl]-4-(2-methylphenyl)but-3-en-2-one;1-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]cyclohexyl]-4-(3-methylphenyl)but-3-en-2-one;1-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]cyclohexyl]-4-(4-methylphenyl)but-3-en-2-one",CCCN(CCC1CCC(CC1)CC(=O)C=CC2=CC=C(C=C2)C)C3CCC4=C(C3)SC(=N4)N.CCCN(CCC1CCC(CC1)CC(=O)C=CC2=CC=C(C=C2)OC)C3CCC4=C(C3)SC(=N4)N.CCCN(CCC1CCC(CC1)CC(=O)C=CC2=CC=C(C=C2)Cl)C3CCC4=C(C3)SC(=N4)N.CCCN(CCC1CCC(CC1)CC(=O)C=CC2=CC(=CC=C2)Cl)C3CCC4=C(C3)SC(=N4)N.CCCN(CCC1CCC(CC1)CC(=O)C=CC2=CC=CC(=C2)C)C3CCC4=C(C3)SC(=N4)N.CCCN(CCC1CCC(CC1)CC(=O)C=CC2=CC=CC=C2C)C3CCC4=C(C3)SC(=N4)N.CCCN(CCC1CCC(CC1)CC(=O)C=CC2=CC=CC=C2F)C3CCC4=C(C3)SC(=N4)N.CCCN(CCC1CCC(CC1)CC(=O)C=CC2=CC=CC=C2Cl)C3CCC4=C(C3)SC(=N4)N,"InChI=1S/C29H41N3O2S.3C29H41N3OS.3C28H38ClN3OS.C28H38FN3OS/c1-3-17-32(24-11-15-27-28(20-24)35-29(30)31-27)18-16-22-4-6-23(7-5-22)19-25(33)12-8-21-9-13-26(34-2)14-10-21;1-3-17-32(25-13-15-27-28(20-25)34-29(30)31-27)18-16-23-8-10-24(11-9-23)19-26(33)14-12-22-6-4-21(2)5-7-22;1-3-16-32(25-12-14-27-28(20-25)34-29(30)31-27)17-15-22-7-9-24(10-8-22)19-26(33)13-11-23-6-4-5-21(2)18-23;1-3-17-32(25-13-15-27-28(20-25)34-29(30)31-27)18-16-22-8-10-23(11-9-22)19-26(33)14-12-24-7-5-4-6-21(24)2;1-2-16-32(24-12-14-26-27(19-24)34-28(30)31-26)17-15-21-3-5-22(6-4-21)18-25(33)13-9-20-7-10-23(29)11-8-20;1-2-15-32(24-11-13-26-27(19-24)34-28(30)31-26)16-14-20-6-8-22(9-7-20)18-25(33)12-10-21-4-3-5-23(29)17-21;2*1-2-16-32(23-12-14-26-27(19-23)34-28(30)31-26)17-15-20-7-9-21(10-8-20)18-24(33)13-11-22-5-3-4-6-25(22)29/h8-10,12-14,22-24H,3-7,11,15-20H2,1-2H3,(H2,30,31);4-7,12,14,23-25H,3,8-11,13,15-20H2,1-2H3,(H2,30,31);4-6,11,13,18,22,24-25H,3,7-10,12,14-17,19-20H2,1-2H3,(H2,30,31);4-7,12,14,22-23,25H,3,8-11,13,15-20H2,1-2H3,(H2,30,31);7-11,13,21-22,24H,2-6,12,14-19H2,1H3,(H2,30,31);3-5,10,12,17,20,22,24H,2,6-9,11,13-16,18-19H2,1H3,(H2,30,31);2*3-6,11,13,20-21,23H,2,7-10,12,14-19H2,1H3,(H2,30,31)",XPWQELRNNHACHW-UHFFFAOYSA-N,C228H316Cl3FN24O9S8,3919,3916.188958,,709,5310,0,8,42,81,273,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1
PHLEOMYCIN,011006-33-0,72511,"2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2S,3R,4R,5S)-4-carbamoyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-oxobutanoyl]amino]ethyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide",CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)O[C@H]3[C@@]([C@H]([C@@H]([C@@H](O3)CO)O)O)(C)O[C@H]4[C@@H]([C@]([C@H](C(O4)CO)O)(C(=O)N)O)O)C(=O)NC(C)C(C(C)C(=O)NC(C(=O)C)C(=O)NCCC5=NC(CS5)C6=NC(=CS6)C(=O)N)O,"InChI=1S/C51H75N17O21S2/c1-16-29(65-41(68-38(16)54)21(8-27(53)72)60-9-20(52)39(55)78)44(82)67-31(34(22-10-58-15-61-22)88-49-50(5,36(76)33(74)25(11-69)87-49)89-47-37(77)51(85,48(57)84)35(75)26(12-70)86-47)45(83)62-18(3)32(73)17(2)42(80)66-30(19(4)71)43(81)59-7-6-28-63-24(14-90-28)46-64-23(13-91-46)40(56)79/h10,13,15,17-18,20-21,24-26,30-37,47,49,60,69-70,73-77,85H,6-9,11-12,14,52H2,1-5H3,(H2,53,72)(H2,55,78)(H2,56,79)(H2,57,84)(H,58,61)(H,59,81)(H,62,83)(H,66,80)(H,67,82)(H2,54,65,68)/t17?,18?,20?,21?,24?,25-,26?,30?,31?,32?,33+,34?,35-,36-,37-,47-,49-,50-,51+/m0/s1",QRBLKGHRWFGINE-UGWAGOLRSA-N,C51H75N17O21S2,1326.4,1325.476485,-10.2,702,2650,0,20,31,31,91,,,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
ENDRIN ALDEHYDE,007421-93-4,522524,"3,4,5,6,6,7-hexachloropentacyclo[6.3.0.02,4.03,7.05,9]undecane-10-carbaldehyde",C1C(C2C3C1C4C5(C2(C(C3(C45Cl)Cl)(Cl)Cl)Cl)Cl)C=O,"InChI=1S/C12H8Cl6O/c13-8-5-3(2-19)1-4-6(5)9(14,12(8,17)18)11(16)7(4)10(8,11)15/h2-7H,1H2",HCTWZIFNBBCVGM-UHFFFAOYSA-N,C12H8Cl6O,380.9,379.867681,3,17.1,566,0,0,1,1,19,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
NAPHTHACENE,000092-24-0,7080,tetracene,C1=CC=C2C=C3C=C4C=CC=CC4=CC3=CC2=C1,InChI=1S/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-12H,IFLREYGFSNHWGE-UHFFFAOYSA-N,C18H12,228.3,228.0939004,5.9,0,236,0,0,0,0,18,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
PERHYDROFLUORENE,005744-03-6,21972,"2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene",C1CCC2C(C1)CC3C2CCCC3,"InChI=1S/C13H22/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h10-13H,1-9H2",OLWAZOBRCQWWDB-UHFFFAOYSA-N,C13H22,178.31,178.1721507,5.5,0,164,0,0,0,0,13,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
IR 140,053655-17-7,5702736,"N-[(5E)-2-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline perchlorate",CCN\1C2=C(C=CC(=C2)Cl)S/C1=C\C=C\3/CCC(=C3N(C4=CC=CC=C4)C5=CC=CC=C5)/C=C/C6=[N+](C7=C(S6)C=CC(=C7)Cl)CC.[O-]Cl(=O)(=O)=O,"InChI=1S/C39H34Cl2N3S2.ClHO4/c1-3-42-33-25-29(40)19-21-35(33)45-37(42)23-17-27-15-16-28(18-24-38-43(4-2)34-26-30(41)20-22-36(34)46-38)39(27)44(31-11-7-5-8-12-31)32-13-9-6-10-14-32;2-1(3,4)5/h5-14,17-26H,3-4,15-16H2,1-2H3;(H,2,3,4,5)/q+1;/p-1",UVLDECUUBLLYRG-UHFFFAOYSA-M,C39H34Cl3N3O4S2,779.2,777.105632,,138,1180,0,0,8,8,51,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZYL VIOLOGEN DICHLORIDE,001102-19-8,14195,1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium dichloride,C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CC4=CC=CC=C4.[Cl-].[Cl-],"InChI=1S/C24H22N2.2ClH/c1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)24-13-17-26(18-14-24)20-22-9-5-2-6-10-22;;/h1-18H,19-20H2;2*1H/q+2;;/p-2",NLOIIDFMYPFJKP-UHFFFAOYSA-L,C24H22Cl2N2,409.3,408.1160041,,7.8,343,0,0,2,5,28,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DROPERIDOL,000548-73-2,3168,"3-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one",C1CN(CC=C1N2C3=CC=CC=C3NC2=O)CCCC(=O)C4=CC=C(C=C4)F,"InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)",RMEDXOLNCUSCGS-UHFFFAOYSA-N,C22H22FN3O2,379.4,379.1696051,3.5,52.7,615,0,1,4,6,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BIS((BENZO-15-CROWN-5)-15-YLMETHYL)PIMELATE,069271-98-3,4565179,"bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl) heptanedioate",C1COCCOC2=C(C=C(C=C2)COC(=O)CCCCCC(=O)OCC3=CC4=C(C=C3)OCCOCCOCCOCCO4)OCCOCCO1,"InChI=1S/C37H52O14/c38-36(50-28-30-6-8-32-34(26-30)48-24-20-44-16-12-40-10-14-42-18-22-46-32)4-2-1-3-5-37(39)51-29-31-7-9-33-35(27-31)49-25-21-45-17-13-41-11-15-43-19-23-47-33/h6-9,26-27H,1-5,10-25,28-29H2",LTZRCLYZVSXCTC-UHFFFAOYSA-N,C37H52O14,720.8,720.3357063,2.7,145,839,0,0,14,12,51,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-BIS((2,3-EPOXYPROPOXY)ETHYL)CYCLOHEXANE",014228-73-0,61718,2-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxymethyl]oxirane,C1CC(CCC1COCC2CO2)COCC3CO3,"InChI=1S/C14H24O4/c1-2-12(6-16-8-14-10-18-14)4-3-11(1)5-15-7-13-9-17-13/h11-14H,1-10H2",VQMQXWYQIIUJIT-UHFFFAOYSA-N,C14H24O4,256.34,256.1674592,1,43.5,224,0,0,4,8,18,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
DIPHENYL DITELLURIDE,032294-60-3,100657,(phenylditellanyl)benzene,C1=CC=C(C=C1)[Te][Te]C2=CC=CC=C2,InChI=1S/C12H10Te2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H,VRLFOXMNTSYGMX-UHFFFAOYSA-N,C12H10Te2,409.4,411.888934,,0,128,0,0,0,3,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DEHYDROACETIC ACID,000520-45-6,122903,"3-acetyl-6-methylpyran-2,4-dione",CC1=CC(=O)C(C(=O)O1)C(=O)C,"InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3",PGRHXDWITVMQBC-UHFFFAOYSA-N,C8H8O4,168.15,168.0422587,0.3,60.4,287,0,0,4,1,12,157 °C; 315 °F (OPEN CUP),269.9 °C @ 760 MM HG,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BIS((3,4-EPOXYCYCLOHEXYL)METHYL)ADIPATE",003130-19-6,18410,bis(7-oxabicyclo[4.1.0]heptan-3-ylmethyl) hexanedioate,C1CC2C(O2)CC1COC(=O)CCCCC(=O)OCC3CCC4C(C3)O4,"InChI=1S/C20H30O6/c21-19(23-11-13-5-7-15-17(9-13)25-15)3-1-2-4-20(22)24-12-14-6-8-16-18(10-14)26-16/h13-18H,1-12H2",DJUWPHRCMMMSCV-UHFFFAOYSA-N,C20H30O6,366.4,366.2042387,2.3,77.7,474,0,0,6,11,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
4-PHENYLPROPYLPYRIDINE,002057-49-0,74937,4-(3-phenylpropyl)pyridine,C1=CC=C(C=C1)CCCC2=CC=NC=C2,"InChI=1S/C14H15N/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h1-3,5-6,9-12H,4,7-8H2",AQIIVEISJBBUCR-UHFFFAOYSA-N,C14H15N,197.27,197.1204495,3.5,12.9,155,0,0,1,4,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
ZEARALANONE,005975-78-0,108003,"(4S)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione",C[C@H]1CCCC(=O)CCCCCC2=C(C(=CC(=C2)O)O)C(=O)O1,"InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,20-21H,2-9H2,1H3/t12-/m0/s1",APJDQUGPCJRQRJ-LBPRGKRZSA-N,C18H24O5,320.4,320.1623739,3.9,83.8,408,0,2,5,0,23,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-THIO-6-AZATHYMINE,000615-76-9,1263666,"6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one",CC1=NNC(=S)NC1=O,"InChI=1S/C4H5N3OS/c1-2-3(8)5-4(9)7-6-2/h1H3,(H2,5,7,8,9)",NKOPQOSBROLOFP-UHFFFAOYSA-N,C4H5N3OS,143.17,143.015333,-0.3,85.6,198,0,2,3,0,9,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MORPHINE-3-B-D-GLUCURONIDE,020290-09-9,5484731,"(2S,3S,4S,5R,6S)-6-[[(4R,4aR,7S,7aR,12bS)-7-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O[C@H]3[C@H](C=C4)O,"InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2-5,10-12,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,12-,15-,16-,17+,19-,20-,22+,23-/m0/s1",WAEXKFONHRHFBZ-ZXDZBKESSA-N,C23H27NO9,461.5,461.1685814,-3,149,839,0,5,10,3,33,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-AMINO-2-PHENYL-2H-PYRAZOLO(4,3-C)-PYRIDINE-4,6-DIOL",074037-32-4,135419024,"3-amino-6-hydroxy-2-phenyl-5H-pyrazolo[4,3-c]pyridin-4-one",C1=CC=C(C=C1)N2C(=C3C(=N2)C=C(NC3=O)O)N,"InChI=1S/C12H10N4O2/c13-11-10-8(6-9(17)14-12(10)18)15-16(11)7-4-2-1-3-5-7/h1-6,17H,13H2,(H,14,18)",QDQPFDKWYQPJRB-UHFFFAOYSA-N,C12H10N4O2,242.23,242.0803756,1.4,93.2,378,0,3,4,1,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,5-DIPHENYL-3-THIOCARBOHYDRAZIDE",000622-03-7,3032337,"1,3-dianilinothiourea",C1=CC=C(C=C1)NNC(=S)NNC2=CC=CC=C2,"InChI=1S/C13H14N4S/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14-15H,(H2,16,17,18)",BNSNUHPJRKTRNT-UHFFFAOYSA-N,C13H14N4S,258.34,258.0939176,3.7,80.2,223,0,4,3,4,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,2,3-TRIPHENYLGUANIDINE",000101-01-9,7539,"1,2,3-triphenylguanidine",C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)NC3=CC=CC=C3,"InChI=1S/C19H17N3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H,(H2,20,21,22)",FUPAJKKAHDLPAZ-UHFFFAOYSA-N,C19H17N3,287.4,287.1422476,4.3,36.4,313,0,2,1,5,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
MYOSMINE,000532-12-7,442649,"3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine",C1CC(=NC1)C2=CN=CC=C2,"InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2",DPNGWXJMIILTBS-UHFFFAOYSA-N,C9H10N2,146.19,146.0843983,0.6,25.3,163,0,0,2,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MANGIFERIN,004773-96-0,5281647,"1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one",C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=C(C(=C3)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,"InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1",AEDDIBAIWPIIBD-ZJKJAXBQSA-N,C19H18O11,422.3,422.0849114,-0.4,197,646,0,8,11,2,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRITHIOCYANURIC ACID,000638-16-4,1268121,"1,3,5-triazinane-2,4,6-trithione",C1(=S)NC(=S)NC(=S)N1,"InChI=1S/C3H3N3S3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)",WZRRRFSJFQTGGB-UHFFFAOYSA-N,C3H3N3S3,177.3,176.9489106,0.6,132,135,0,3,3,0,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-THIOADENOSINE,043157-50-2,6451965,"6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purine-2-thione",C1=NC2=C(NC(=S)N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,"InChI=1S/C10H13N5O4S/c11-7-4-8(14-10(20)13-7)15(2-12-4)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,20)/t3-,5-,6-,9-/m1/s1",LTESOZAUMTUKQX-UUOKFMHZSA-N,C10H13N5O4S,299.31,299.0688251,-2.4,168,548,0,5,7,2,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-CYCLOPENTENE-1,3-DIONE",000930-60-9,70258,"cyclopent-4-ene-1,3-dione",C1C(=O)C=CC1=O,"InChI=1S/C5H4O2/c6-4-1-2-5(7)3-4/h1-2H,3H2",MCFZBCCYOPSZLG-UHFFFAOYSA-N,C5H4O2,96.08,96.02112937,0,34.1,128,0,0,2,0,7,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
CINNOLINE-4-CARBOXYLIC ACID,021905-86-2,89099,cinnoline-4-carboxylic acid,C1=CC=C2C(=C1)C(=CN=N2)C(=O)O,"InChI=1S/C9H6N2O2/c12-9(13)7-5-10-11-8-4-2-1-3-6(7)8/h1-5H,(H,12,13)",ZKOMQFDQFTVPBZ-UHFFFAOYSA-N,C9H6N2O2,174.16,174.0429274,1.2,63.1,208,0,1,4,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CHOLESTRA-3,5-DIENE",000747-90-0,92835,"(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene",C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC=C4)C)C,"InChI=1S/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6,11-12,19-20,22-25H,7-10,13-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1",RLHIRZFWJBOHHD-HKQCOZBKSA-N,C27H44,368.6,368.3443014,9.8,0,595,0,0,0,5,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
RESCINNAMINE,024815-24-5,5280954,"methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate",CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)/C=C/C6=CC(=C(C(=C6)OC)OC)OC,"InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+/t20-,24+,26-,29-,31+,34+/m1/s1",SZLZWPPUNLXJEA-QEGASFHISA-N,C35H42N2O9,634.7,634.2890309,4.5,118,1080,0,1,10,11,46,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIAMTERENE,000396-01-0,5546,"6-phenylpteridine-2,4,7-triamine",C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N,"InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)",FNYLWPVRPXGIIP-UHFFFAOYSA-N,C12H11N7,253.26,253.1075934,1,130,306,0,3,7,1,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAPHENYLANTIMONY BROMIDE,016894-69-2,88914,bromo(tetraphenyl)-lambda5-stibane,C1=CC=C(C=C1)[Sb](C2=CC=CC=C2)(C3=CC=CC=C3)(C4=CC=CC=C4)Br,InChI=1S/4C6H5.BrH.Sb/c4*1-2-4-6-5-3-1;;/h4*1-5H;1H;/q;;;;;+1/p-1,MRSXZVCXTGNNFI-UHFFFAOYSA-M,C24H20BrSb,510.1,507.97865,,0,354,0,0,0,4,26,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"5,5',6,6'-TETRACHLORO-1,1',3,3'-TETRAETHYLBENZIMIDAZOLYLCARBOCYANINE IODIDE",047729-63-5,5492929,"5,6-dichloro-2-[(E)-3-(5,6-dichloro-1,3-diethylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-1,3-diethylbenzimidazole iodide",CCN1C2=CC(=C(C=C2[N+](=C1/C=C/C=C3N(C4=CC(=C(C=C4N3CC)Cl)Cl)CC)CC)Cl)Cl.[I-],"InChI=1S/C25H27Cl4N4.HI/c1-5-30-20-12-16(26)17(27)13-21(20)31(6-2)24(30)10-9-11-25-32(7-3)22-14-18(28)19(29)15-23(22)33(25)8-4;/h9-15H,5-8H2,1-4H3;1H/q+1;/p-1",FYNNIUVBDKICAX-UHFFFAOYSA-M,C25H27Cl4IN4,652.2,652.00051,,15.3,625,0,0,3,6,34,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,3,3-TETRAMETHYL-3H-INDOLIUM IODIDE",005418-63-3,79454,"1,2,3,3-tetramethylindol-1-ium iodide",CC1=[N+](C2=CC=CC=C2C1(C)C)C.[I-],"InChI=1S/C12H16N.HI/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;/h5-8H,1-4H3;1H/q+1;/p-1",HCYIOKVZAATOEW-UHFFFAOYSA-M,C12H16IN,301.17,301.03275,,3,250,0,0,1,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-BENZYLOXAZOLIDINE,013657-16-4,319258,"3-benzyl-1,3-oxazolidine",C1COCN1CC2=CC=CC=C2,"InChI=1S/C10H13NO/c1-2-4-10(5-3-1)8-11-6-7-12-9-11/h1-5H,6-9H2",FQNODHUYZYLTPN-UHFFFAOYSA-N,C10H13NO,163.22,163.099714,1.7,12.5,132,0,0,2,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
D-AMYGDALIN,029883-15-6,656516,"(2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile",C1=CC=C(C=C1)[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O,"InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1",XUCIJNAGGSZNQT-JHSLDZJXSA-N,C20H27NO11,457.4,457.1584107,-2.7,202,638,0,7,12,7,32,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,4'-DIANILINO-1,1'-BINAPHTHYL-5,5'-DISULFONIC ACID, DIPOTASSIUM",065664-81-5,16213473,dipotassium;8-anilino-5-(4-anilino-5-sulfonatonaphthalen-1-yl)naphthalene-1-sulfonate,C1=CC=C(C=C1)NC2=C3C(=C(C=C2)C4=C5C=CC=C(C5=C(C=C4)NC6=CC=CC=C6)S(=O)(=O)[O-])C=CC=C3S(=O)(=O)[O-].[K+].[K+],"InChI=1S/C32H24N2O6S2.2K/c35-41(36,37)29-15-7-13-25-23(17-19-27(31(25)29)33-21-9-3-1-4-10-21)24-18-20-28(34-22-11-5-2-6-12-22)32-26(24)14-8-16-30(32)42(38,39)40;;/h1-20,33-34H,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2",VWLWTJHKQHRTNC-UHFFFAOYSA-L,C32H22K2N2O6S2,672.9,672.0193417,,155,994,0,2,8,5,44,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TRANS-1,2-DIPHENYLOXIRANE",001439-07-2,91504,"(2S,3S)-2,3-diphenyloxirane",C1=CC=C(C=C1)[C@H]2[C@@H](O2)C3=CC=CC=C3,"InChI=1S/C14H12O/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14-/m0/s1",ARCJQKUWGAZPFX-KBPBESRZSA-N,C14H12O,196.24,196.088815,2.9,12.5,179,0,0,1,2,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"4-AMINO-1,2,4-TRIAZOLE",000584-13-4,11432,"1,2,4-triazol-4-amine",C1=NN=CN1N,"InChI=1S/C2H4N4/c3-6-1-4-5-2-6/h1-2H,3H2",FMCUPJKTGNBGEC-UHFFFAOYSA-N,C2H4N4,84.08,84.04359615,-0.8,56.7,38,0,1,3,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BIOTIN 3-SULFO-N-HYDROXYSUCCINIMIDE ESTER SODIUM,119616-38-5,134688117,"sodium 1-[5-[(3aS,4S,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate",C1[C@@H]2[C@@H]([C@@H](S1)CCCCC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)[O-])NC(=O)N2.[Na+],"InChI=1S/C14H19N3O8S2.Na/c18-10-5-9(27(22,23)24)13(20)17(10)25-11(19)4-2-1-3-8-12-7(6-26-8)15-14(21)16-12;/h7-9,12H,1-6H2,(H2,15,16,21)(H,22,23,24);/q;+1/p-1/t7-,8+,9?,12+;/m1./s1",DREOJRVDBCALEG-ALPPTMNKSA-M,C14H18N3NaO8S2,443.4,443.0433012,,196,771,0,2,9,8,28,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"BENZO(B)NAPHTHO(2,3-D)THIOPHENE",000243-46-9,9203,"naphtho[2,3-b][1]benzothiole",C1=CC=C2C=C3C(=CC2=C1)C4=CC=CC=C4S3,InChI=1S/C16H10S/c1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16/h1-10H,UWMISBRPSJFHIR-UHFFFAOYSA-N,C16H10S,234.3,234.0503215,5.2,28.2,287,0,0,1,0,17,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-NAPHTHALEN-2-YL-BENZO(B)THIOPHENE,017164-77-1,253238,2-naphthalen-2-yl-1-benzothiophene,C1=CC=C2C=C(C=CC2=C1)C3=CC4=CC=CC=C4S3,InChI=1S/C18H12S/c1-2-6-14-11-16(10-9-13(14)5-1)18-12-15-7-3-4-8-17(15)19-18/h1-12H,VXNMJAGOXHIGRF-UHFFFAOYSA-N,C18H12S,260.4,260.0659716,5.9,28.2,313,0,0,1,1,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-HYDROXYPURINE,002308-57-8,75323,"3,7-dihydropurin-2-one",C1=NC(=O)NC2=C1NC=N2,"InChI=1S/C5H4N4O/c10-5-6-1-3-4(9-5)8-2-7-3/h1-2H,(H2,6,7,8,9,10)",CRIZPXKICGBNKG-UHFFFAOYSA-N,C5H4N4O,136.11,136.0385108,-0.5,70.1,190,0,2,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-PHENYL-1-INDANONE,016618-72-7,98146,"3-phenyl-2,3-dihydroinden-1-one",C1C(C2=CC=CC=C2C1=O)C3=CC=CC=C3,"InChI=1S/C15H12O/c16-15-10-14(11-6-2-1-3-7-11)12-8-4-5-9-13(12)15/h1-9,14H,10H2",SIUOTMYWHGODQX-UHFFFAOYSA-N,C15H12O,208.25,208.088815,3.1,17.1,265,0,0,1,1,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
DITHIANON,003347-22-6,18771,"5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=C(S3)C#N)C#N,InChI=1S/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H,PYZSVQVRHDXQSL-UHFFFAOYSA-N,C14H4N2O2S2,296.3,295.9714197,2.8,132,628,0,0,6,0,20,Ignition temperature >300 °C,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CANNABINOL,000521-35-7,2543,"6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol",CCCCCC1=CC(=C2C(=C1)OC(C3=C2C=C(C=C3)C)(C)C)O,"InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3",VBGLYOIFKLUMQG-UHFFFAOYSA-N,C21H26O2,310.4,310.1932801,6.1,29.5,391,0,1,2,4,23,,"365 °F at 0.05 mmHg (NTP, 1992)",0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
CYCLOPENTADIENYLDICARBONYL(TETRAHYDROFURAN)IRON(II) TETRAFLUOROBORATE,063313-71-3,71310255,"carbon monoxide;cyclopenta-1,3-diene;iron(2+);oxolane;tetrafluoroborate",[B-](F)(F)(F)F.[C-]#[O+].[C-]#[O+].C1CCOC1.[CH-]1C=CC=C1.[Fe+2],"InChI=1S/C5H5.C4H8O.2CO.BF4.Fe/c2*1-2-4-5-3-1;2*1-2;2-1(3,4)5;/h1-5H;1-4H2;;;;/q-1;;;;-1;+2",QGGVUGKPZSNWHP-UHFFFAOYSA-N,C11H13BF4FeO3,335.87,336.024323,,11.2,63,0,0,9,0,20,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-BUTANE SULTONE",001633-83-6,15411,"oxathiane 2,2-dioxide",C1CCS(=O)(=O)OC1,InChI=1S/C4H8O3S/c5-8(6)4-2-1-3-7-8/h1-4H2,MHYFEEDKONKGEB-UHFFFAOYSA-N,C4H8O3S,136.17,136.0194153,0.1,51.8,153,0,0,3,0,8,,,0,0,0,1,0,1,1,1,0,0,1,0,0,0,0,0,1,0,0,1
TRIPHENYLPHOSPHINE OXIDE,000791-28-6,13097,diphenylphosphorylbenzene,C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",FIQMHBFVRAXMOP-UHFFFAOYSA-N,C18H15OP,278.3,278.0860521,2.8,17.1,281,0,0,1,3,20,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
N-ALPHA-FMOC-O-T-BUTYL-L-TYROSINE,071989-38-3,10895791,(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid,CC(C)(C)OC1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24,"InChI=1S/C28H29NO5/c1-28(2,3)34-19-14-12-18(13-15-19)16-25(26(30)31)29-27(32)33-17-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-15,24-25H,16-17H2,1-3H3,(H,29,32)(H,30,31)/t25-/m0/s1",JAUKCFULLJFBFN-VWLOTQADSA-N,C28H29NO5,459.5,459.204573,5.6,84.9,673,0,2,5,9,34,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
9-FLUORENYLMETHYLSUCCINIMIDYL CARBONATE,082911-69-1,134122,"(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethyl carbonate",C1CC(=O)N(C1=O)OC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24,"InChI=1S/C19H15NO5/c21-17-9-10-18(22)20(17)25-19(23)24-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2",WMSUFWLPZLCIHP-UHFFFAOYSA-N,C19H15NO5,337.3,337.0950226,2.7,72.9,524,0,0,5,5,25,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
FMOC-PRO-OH,071989-31-6,688135,(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid,C1C[C@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O,"InChI=1S/C20H19NO4/c22-19(23)18-10-5-11-21(18)20(24)25-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,22,23)/t18-/m0/s1",ZPGDWQNBZYOZTI-SFHVURJKSA-N,C20H19NO4,337.4,337.1314081,3.4,66.8,500,0,1,4,4,25,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FMOC-HIS(TRT)-OH,109425-51-6,11422193,(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-tritylimidazol-4-yl)propanoic acid,C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)C[C@@H](C(=O)O)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57,"InChI=1S/C40H33N3O4/c44-38(45)37(42-39(46)47-26-36-34-22-12-10-20-32(34)33-21-11-13-23-35(33)36)24-31-25-43(27-41-31)40(28-14-4-1-5-15-28,29-16-6-2-7-17-29)30-18-8-3-9-19-30/h1-23,25,27,36-37H,24,26H2,(H,42,46)(H,44,45)/t37-/m0/s1",XXMYDXUIZKNHDT-QNGWXLTQSA-N,C40H33N3O4,619.7,619.2471065,7.5,93.5,967,0,2,5,11,47,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FMOC-CYS(TRT)-OH,103213-32-7,128239,(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanylpropanoic acid,C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46,"InChI=1S/C37H31NO4S/c39-35(40)34(38-36(41)42-24-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33)25-43-37(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-23,33-34H,24-25H2,(H,38,41)(H,39,40)/t34-/m0/s1",KLBPUVPNPAJWHZ-UMSFTDKQSA-N,C37H31NO4S,585.7,585.1973796,8,101,841,0,2,5,11,43,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZOTRIAZOL-1-YL-OXYTRIPYRROLIDINO-PHOSPHONIUM HEXAFLUOROPHOSPHATE,128625-52-5,2724699,benzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphanium hexafluorophosphate,C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=CC=CC=C5N=N4.F[P-](F)(F)(F)(F)F,"InChI=1S/C18H28N6OP.F6P/c1-2-10-18-17(9-1)19-20-24(18)25-26(21-11-3-4-12-21,22-13-5-6-14-22)23-15-7-8-16-23;1-7(2,3,4,5)6/h1-2,9-10H,3-8,11-16H2;/q+1;-1",VIAFLMPQBHAMLI-UHFFFAOYSA-N,C18H28F6N6OP2,520.4,520.1704025,,49.7,500,0,0,13,5,33,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"1,4-DIOXASPIRO[4.5]DECAN-8-ONE",004746-97-8,567415,"1,4-dioxaspiro[4.5]decan-8-one",C1CC2(CCC1=O)OCCO2,InChI=1S/C8H12O3/c9-7-1-3-8(4-2-7)10-5-6-11-8/h1-6H2,VKRKCBWIVLSRBJ-UHFFFAOYSA-N,C8H12O3,156.18,156.0786442,-0.1,35.5,158,0,0,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TREHALOSE-6-PHOSPHATE DIPOTASSIUM,136632-28-5,132285186,"dipotassium;[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl phosphate",C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)O)O)O)O)O.[K+].[K+],"InChI=1S/C12H23O14P.2K/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22;;/h3-19H,1-2H2,(H2,20,21,22);;/q;2*+1/p-2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-;;/m1../s1",YKCUKYNZTFYPHM-PVXXTIHASA-L,C12H21K2O14P,498.46,497.9943053,,242,517,0,7,14,5,29,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
AMPLEX RED REAGENT,119171-73-2,167453,"1-(3,7-dihydroxyphenoxazin-10-yl)ethanone",CC(=O)N1C2=C(C=C(C=C2)O)OC3=C1C=CC(=C3)O,"InChI=1S/C14H11NO4/c1-8(16)15-11-4-2-9(17)6-13(11)19-14-7-10(18)3-5-12(14)15/h2-7,17-18H,1H3",PKYCWFICOKSIHZ-UHFFFAOYSA-N,C14H11NO4,257.24,257.0688078,1.7,70,335,0,2,4,0,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
METYRAPONE,000054-36-4,4174,"2-methyl-1,2-dipyridin-3-ylpropan-1-one",CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2,"InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3",FJLBFSROUSIWMA-UHFFFAOYSA-N,C14H14N2O,226.27,226.1106131,2,42.9,275,0,0,3,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DIHYDRO-3-METHYLENE-2,5-FURANDIONE",002170-03-8,75110,"3-methylideneoxolane-2,5-dione",C=C1CC(=O)OC1=O,InChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h1-2H2,OFNISBHGPNMTMS-UHFFFAOYSA-N,C5H4O3,112.08,112.016044,0.2,43.4,169,0,0,3,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIBENZYL CARBONATE,003459-92-5,77002,dibenzyl carbonate,C1=CC=C(C=C1)COC(=O)OCC2=CC=CC=C2,"InChI=1S/C15H14O3/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2",PIZLBWGMERQCOC-UHFFFAOYSA-N,C15H14O3,242.27,242.0942943,3.5,35.5,216,0,0,3,6,18,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
VIOMYCIN,032988-50-4,135398671,"(3S)-3,6-diamino-N-[(3S,6Z,9S,12S,15S)-3-[(4R,6S)-2-amino-6-hydroxy-1,4,5,6-tetrahydropyrimidin-4-yl]-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]hexanamide",C1[C@@H](N=C(N[C@H]1O)N)[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C\NC(=O)N)/C(=O)N2)CO)CO)NC(=O)C[C@H](CCCN)N,"InChI=1S/C25H43N13O10/c26-3-1-2-10(27)4-16(41)32-12-6-30-23(47)18(11-5-17(42)37-24(28)36-11)38-20(44)13(7-31-25(29)48)33-21(45)14(8-39)35-22(46)15(9-40)34-19(12)43/h7,10-12,14-15,17-18,39-40,42H,1-6,8-9,26-27H2,(H,30,47)(H,32,41)(H,33,45)(H,34,43)(H,35,46)(H,38,44)(H3,28,36,37)(H3,29,31,48)/b13-7-/t10-,11+,12-,14-,15-,17-,18-/m0/s1",GXFAIFRPOKBQRV-GHXCTMGLSA-N,C25H43N13O10,685.7,685.3255846,-7,393,1280,0,15,13,10,48,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"TRANS-2,5-DIHYDRO-3-ETHYL-4-METHYL-N-(2-(4-(((((4-METHYLCYCLOHEXYL)AMINO)CARBONYL)AMINO)SULFONYL)PHENYL)ETHYL)-2-OXO-1H-PYRROLE-1-CARBOXAMIDE",093479-97-1,3476,4-ethyl-3-methyl-N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide,CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C,"InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)",WIGIZIANZCJQQY-UHFFFAOYSA-N,C24H34N4O5S,490.6,490.2249914,3.9,133,895,0,3,5,7,34,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
PUROMYCIN DIHYDROCHLORIDE,000058-58-2,443311,"(2S)-2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide;dihydrochloride",CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CC4=CC=C(C=C4)OC)N)O.Cl.Cl,"InChI=1S/C22H29N7O5.2ClH/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12;;/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32);2*1H/t14-,15+,16+,18+,22+;;/m0../s1",MKSVFGKWZLUTTO-FZFAUISWSA-N,C22H31Cl2N7O5,544.4,543.1763725,,161,680,0,6,10,8,36,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-(Biphenyl-4-yl)-5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole",150405-69-9,11441792,"3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole",CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5,"InChI=1S/C30H27N3/c1-30(2,3)26-20-18-25(19-21-26)29-32-31-28(33(29)27-12-8-5-9-13-27)24-16-14-23(15-17-24)22-10-6-4-7-11-22/h4-21H,1-3H3",ZVFQEOPUXVPSLB-UHFFFAOYSA-N,C30H27N3,429.6,429.2204979,7.7,30.7,584,0,0,2,5,33,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
THIOSTREPTON,001393-48-2,16129666,"N-[3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]-2-[(11E)-37-butan-2-yl-18-(2,3-dihydroxybutan-2-yl)-11-ethylidene-59-hydroxy-8,31-bis(1-hydroxyethyl)-26,40,46-trimethyl-43-methylidene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carboxamide",CCC(C)C1C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)NC23CCC(=NC2C4=CSC(=N4)C(C(OC(=O)C5=NC6=C(C=CC(C6O)N1)C(=C5)C(C)O)C)NC(=O)C7=CSC(=N7)C(NC(=O)C8CSC(=N8)/C(=C\C)/NC(=O)C(NC(=O)C9=CSC3=N9)C(C)O)C(C)(C(C)O)O)C1=NC(=CS1)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C)C,"InChI=1S/C72H85N19O18S5/c1-14-26(3)47-63(105)78-30(7)57(99)75-28(5)56(98)76-31(8)58(100)91-72-19-18-40(66-85-43(22-111-66)59(101)77-29(6)55(97)74-27(4)54(73)96)81-52(72)42-21-112-67(83-42)49(34(11)109-69(107)41-20-37(32(9)92)36-16-17-39(79-47)51(95)50(36)80-41)89-60(102)44-24-113-68(86-44)53(71(13,108)35(12)94)90-62(104)45-23-110-65(84-45)38(15-2)82-64(106)48(33(10)93)88-61(103)46-25-114-70(72)87-46/h15-17,20-22,24-26,30-35,39,45,47-49,51-53,79,92-95,108H,4-6,14,18-19,23H2,1-3,7-13H3,(H2,73,96)(H,74,97)(H,75,99)(H,76,98)(H,77,101)(H,78,105)(H,82,106)(H,88,103)(H,89,102)(H,90,104)(H,91,100)/b38-15+",NSFFHOGKXHRQEW-DVRIZHICSA-N,C72H85N19O18S5,1664.9,1663.492353,0.6,701,3940,0,17,31,12,114,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,6-DIBROMODITHIENO[3,2-B:2',3'-D]THIOPHENE",067061-69-2,11382649,"4,10-dibromo-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene",C1=C(SC2=C1SC3=C2SC(=C3)Br)Br,InChI=1S/C8H2Br2S3/c9-5-1-3-7(12-5)8-4(11-3)2-6(10)13-8/h1-2H,UTKPZZGBROTDKR-UHFFFAOYSA-N,C8H2Br2S3,354.1,353.76649,5.9,84.7,203,0,0,3,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"N-METHYL-N-[5-(BENZYLAMINO)PENTA-2,4-DIENYLIDENE]ANILINE HYDROCHLORIDE",013984-07-1,6433590,"methyl-[(2E,4E)-5-(N-methylanilino)penta-2,4-dienylidene]-phenylazanium chloride",CN(/C=C/C=C/C=[N+](C)C1=CC=CC=C1)C2=CC=CC=C2.[Cl-],"InChI=1S/C19H21N2.ClH/c1-20(18-12-6-3-7-13-18)16-10-5-11-17-21(2)19-14-8-4-9-15-19;/h3-17H,1-2H3;1H/q+1;/p-1",FPYATAHHYUQBFA-UHFFFAOYSA-M,C19H21ClN2,312.8,312.1393264,,6.3,335,0,0,2,5,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CHARYBDOTOXIN,095751-30-7,56842037,"(2S)-3-hydroxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(1R,4S,7R,12R,15S,18S,21S,24S,27S,30S,33S,36S,42S,45R,50R,53S,56S,59S,62S,65S,68R,75S,78S,81S,84S,89S,92S,95S)-42,62,75,78-tetrakis(4-aminobutyl)-50-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-27,81-bis(2-amino-2-oxoethyl)-15-(3-amino-3-oxopropyl)-4,18,36-tris(3-carbamimidamidopropyl)-65-(2-carboxyethyl)-30,53,56-tris[(1R)-1-hydroxyethyl]-33,59,92-tris(hydroxymethyl)-24-(1H-imidazol-5-ylmethyl)-89-(1H-indol-3-ylmethyl)-21-(2-methylpropyl)-84-(2-methylsulfanylethyl)-2,5,13,16,19,22,25,28,31,34,37,40,43,51,54,57,60,63,66,74,77,80,83,86,87,90,93,96-octacosaoxo-95-propan-2-yl-9,10,47,48,70,71-hexathia-3,6,14,17,20,23,26,29,32,35,38,41,44,52,55,58,61,64,67,73,76,79,82,85,88,91,94,97-octacosazatricyclo[43.27.14.1112,68]heptanonacontane-7-carbonyl]amino]propanoyl]amino]propanoic acid",C[C@H]([C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N1)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@@H]5CCC(=O)N5)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CCCCN)CCCCN)CC(=O)N)CCSC)CCCCN)CCCNC(=N)N)CO)[C@@H](C)O)CC(=O)N)CC6=CN=CN6)CC(C)C)CCCNC(=N)N)CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC7=CNC8=CC=CC=C87)CO)C(C)C)C(=O)N[C@@H](CC9=CC=C(C=C9)O)C(=O)N[C@@H](CO)C(=O)O)CCCNC(=N)N)CCC(=O)O)CCCCN)CO)[C@@H](C)O)O,"InChI=1S/C176H277N57O55S7/c1-81(2)58-106-149(263)213-110(62-91-67-191-80-197-91)152(266)215-112(64-127(183)246)156(270)231-135(85(8)240)170(284)219-114(69-234)157(271)200-95(36-25-54-192-174(185)186)138(252)196-68-130(249)199-96(32-17-21-50-177)139(253)222-120-75-291-295-79-124(226-159(273)116(71-236)218-167(281)132(82(3)4)228-155(269)113(65-128(184)247)216-169(283)134(84(7)239)230-154(268)108(59-88-28-13-12-14-29-88)210-145(259)102-44-47-129(248)198-102)166(280)232-137(87(10)242)172(286)233-136(86(9)241)171(285)220-115(70-235)158(272)204-98(34-19-23-52-179)141(255)206-104(45-48-131(250)251)147(261)225-122-77-292-290-74-119(223-143(257)99(35-20-24-53-180)201-140(254)97(33-18-22-51-178)203-153(267)111(63-126(182)245)214-148(262)105(49-57-289-11)208-162(120)276)161(275)205-101(38-27-56-194-176(189)190)144(258)224-121(164(278)211-107(60-89-39-41-92(243)42-40-89)150(264)221-118(73-238)173(287)288)76-293-294-78-123(163(277)207-103(43-46-125(181)244)146(260)202-100(142(256)209-106)37-26-55-193-175(187)188)227-168(282)133(83(5)6)229-160(274)117(72-237)217-151(265)109(212-165(122)279)61-90-66-195-94-31-16-15-30-93(90)94/h12-16,28-31,39-42,66-67,80-87,95-124,132-137,195,234-243H,17-27,32-38,43-65,68-79,177-180H2,1-11H3,(H2,181,244)(H2,182,245)(H2,183,246)(H2,184,247)(H,191,197)(H,196,252)(H,198,248)(H,199,249)(H,200,271)(H,201,254)(H,202,260)(H,203,267)(H,204,272)(H,205,275)(H,206,255)(H,207,277)(H,208,276)(H,209,256)(H,210,259)(H,211,278)(H,212,279)(H,213,263)(H,214,262)(H,215,266)(H,216,283)(H,217,265)(H,218,281)(H,219,284)(H,220,285)(H,221,264)(H,222,253)(H,223,257)(H,224,258)(H,225,261)(H,226,273)(H,227,282)(H,228,269)(H,229,274)(H,230,268)(H,231,270)(H,232,280)(H,233,286)(H,250,251)(H,287,288)(H4,185,186,192)(H4,187,188,193)(H4,189,190,194)/t84-,85-,86-,87-,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,132+,133+,134+,135+,136+,137+/m1/s1",CNVQLPPZGABUCM-LIGYZCPXSA-N,C176H277N57O55S7,4296,4293.870909,-21,2040,10100,0,68,70,84,295,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CHLORO(CYCLOPENTADIENYL)(TRIPHENYLPHOSPHINE)NICKEL(II),031904-79-7,91997688,chloronickel;cyclopentane;triphenylphosphane,C1CCCC1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ni],InChI=1S/C18H15P.C5H10.ClH.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;;/h1-15H;1-5H2;1H;/q;;;+1/p-1,HKKDAGYBGBRGJY-UHFFFAOYSA-M,C23H25ClNiP,426.6,425.073582,,0,215,0,0,0,3,26,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
N-(2-HYDROXYBENZOYL)PYRROLIDINE,098841-68-0,225361,(2-hydroxyphenyl)-pyrrolidin-1-ylmethanone,C1CCN(C1)C(=O)C2=CC=CC=C2O,"InChI=1S/C11H13NO2/c13-10-6-2-1-5-9(10)11(14)12-7-3-4-8-12/h1-2,5-6,13H,3-4,7-8H2",LELBEJMWNJWJDG-UHFFFAOYSA-N,C11H13NO2,191.23,191.0946287,2.1,40.5,211,0,1,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,4,6-TRI(4-PYRIDYL)-1,3,5-TRIAZINE",042333-78-8,317666,"2,4,6-tripyridin-4-yl-1,3,5-triazine",C1=CN=CC=C1C2=NC(=NC(=N2)C3=CC=NC=C3)C4=CC=NC=C4,InChI=1S/C18H12N6/c1-7-19-8-2-13(1)16-22-17(14-3-9-20-10-4-14)24-18(23-16)15-5-11-21-12-6-15/h1-12H,CBMYFVSIIYILRH-UHFFFAOYSA-N,C18H12N6,312.3,312.1123444,1.7,77.3,305,0,0,6,3,24,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
COBINAMIDE DICYANIDE,027792-36-5,6450878,"cobalt;3-[(1R,2S,3S,5Z,7S,8S,10Z,13S,15Z,17R,18R)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(2-hydroxypropylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide;dicyanide",C/C/1=C/2\[C@@]([C@@H](C(=N2)/C=C\3/C([C@@H](C(=N3)/C(=C\4/[C@]([C@H](C([N-]4)[C@]5([C@@]([C@@H](C1=N5)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NCC(C)O)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N.[C-]#N.[C-]#N.[Co],"InChI=1S/C48H73N11O8.2CN.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;2*1-2;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);;;/q;2*-1;/p-1/t23?,26-,27-,28-,29+,43?,45-,46+,47+,48+;;;/m1.../s1",NWXVHVXSDZHCFS-TWXWJCICSA-M,C50H72CoN13O8-3,1042.1,1041.495875,,394,2440,-3,8,16,20,72,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"2-(1H-PYRAZOL-3-YL)-1,3-BENZOTHIAZOLE",256414-72-9,24208803,"2-(1H-pyrazol-5-yl)-1,3-benzothiazole",C1=CC=C2C(=C1)N=C(S2)C3=CC=NN3,"InChI=1S/C10H7N3S/c1-2-4-9-7(3-1)12-10(14-9)8-5-6-11-13-8/h1-6H,(H,11,13)",YAMYGQRUEXYQIE-UHFFFAOYSA-N,C10H7N3S,201.25,201.0360684,2.4,69.8,212,0,1,3,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,2',7,7'-TETRABROMO-9,9'-SPIROBI[9H-FLUORENE]",128055-74-3,371282,"2,2',7,7'-tetrabromo-9,9'-spirobi[fluorene]",C1=CC2=C(C=C1Br)C3(C4=C2C=CC(=C4)Br)C5=C(C=CC(=C5)Br)C6=C3C=C(C=C6)Br,InChI=1S/C25H12Br4/c26-13-1-5-17-18-6-2-14(27)10-22(18)25(21(17)9-13)23-11-15(28)3-7-19(23)20-8-4-16(29)12-24(20)25/h1-12H,MASXXNUEJVMYML-UHFFFAOYSA-N,C25H12Br4,632,631.76315,9.1,0,527,0,0,0,0,29,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"DIPYRAZINO[2,3-F:2',3'-H]QUINOXALINE-2,3,6,7,10,11-HEXACARBONITRILE",105598-27-4,11069026,"3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11,16,17-hexacarbonitrile",C(#N)C1=C(N=C2C(=N1)C3=NC(=C(N=C3C4=NC(=C(N=C24)C#N)C#N)C#N)C#N)C#N,InChI=1S/C18N12/c19-1-7-8(2-20)26-14-13(25-7)15-17(29-10(4-22)9(3-21)27-15)18-16(14)28-11(5-23)12(6-24)30-18,DKHNGUNXLDCATP-UHFFFAOYSA-N,C18N12,384.3,384.0368881,-1,220,809,0,0,12,0,30,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
3-BROMO-(1-PHENYLSULFONYL)INDOLE,099655-68-2,2776215,1-(benzenesulfonyl)-3-bromoindole,C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)Br,"InChI=1S/C14H10BrNO2S/c15-13-10-16(14-9-5-4-8-12(13)14)19(17,18)11-6-2-1-3-7-11/h1-10H",MXPFKHHDXIJNDX-UHFFFAOYSA-N,C14H10BrNO2S,336.21,334.96156,3.9,47.5,414,0,0,2,2,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"[1,3-BIS(2,6-DIISOPROPYLPHENYL)IMIDAZOL-2-YLIDENE]CHLORO[3-PHENYLALLYL]PALLADIUM(II)",884879-23-6,155885081,,CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=[C-]2)C3=C(C=CC=C3C(C)C)C(C)C.C=C[CH]C1=CC=CC=C1.Cl[Pd+],"InChI=1S/C27H36N2.C9H9.ClH.Pd/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-2-6-9-7-4-3-5-8-9;;/h9-16,18-21H,1-8H3;2-8H,1H2;1H;/q;;;+2/p-1",ZSQLWNDIAPSYRQ-UHFFFAOYSA-M,C36H45ClN2Pd+,647.6,646.23061,,6.3,594,1,0,1,8,40,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
LUP-20(29)-EN-3-BETA-OL,000545-47-1,259846,"(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol",CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C,"InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1",MQYXUWHLBZFQQO-QGTGJCAVSA-N,C30H50O,426.7,426.3861662,9.9,20.2,766,0,1,1,1,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
5-PHENYL-2-FUROIC ACID,052938-97-3,736255,5-phenylfuran-2-carboxylic acid,C1=CC=C(C=C1)C2=CC=C(O2)C(=O)O,"InChI=1S/C11H8O3/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)",GUOMINFEASCICM-UHFFFAOYSA-N,C11H8O3,188.18,188.0473441,2.5,50.4,209,0,1,3,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-(3',6'-DIHYDROXY-3-OXOSPIRO(ISOBENZOFURAN-1(3H),9'-(9H)XANTHEN)-5-YL)-1H-PYRROLE-2,5-DIONE",075350-46-8,122038,"1-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)pyrrole-2,5-dione",C1=CC2=C(C=C1N3C(=O)C=CC3=O)C(=O)OC24C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O,"InChI=1S/C24H13NO7/c26-13-2-5-17-19(10-13)31-20-11-14(27)3-6-18(20)24(17)16-4-1-12(9-15(16)23(30)32-24)25-21(28)7-8-22(25)29/h1-11,26-27H",AYDAHOIUHVUJHQ-UHFFFAOYSA-N,C24H13NO7,427.4,427.0692018,2.5,113,826,0,2,7,1,32,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"NAPHTHO(2,1,8-QRA)NAPHTHACENE",000196-42-9,9137,"hexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene",C1=CC=C2C=C3C4=C5C(=CC3=CC2=C1)C=CC6=C5C(=CC=C6)C=C4,InChI=1S/C24H14/c1-2-5-18-14-22-20(12-17(18)4-1)13-19-9-8-15-6-3-7-16-10-11-21(22)24(19)23(15)16/h1-14H,AXSJLZJXXUBRBS-UHFFFAOYSA-N,C24H14,302.4,302.1095504,7.3,0,480,0,0,0,0,24,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ELEUTHEROSIDE E,039432-56-9,71312557,"(2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6R,6aS)-6-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol",COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)[C@H]3[C@@H]4CO[C@@H]([C@H]4CO3)C5=CC(=C(C(=C5)OC)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OC,"InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3/t15-,16+,21-,22-,23-,24-,25+,26+,27-,28-,29+,30-,33+,34+/m1/s1",FFDULTAFAQRACT-JSGUJALWSA-N,C34H46O18,742.7,742.2684146,-1.4,254,1010,0,8,18,12,52,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
NOURSEOTHRICIN SULFATE,096736-11-7,131668562,"[(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3,6-diaminohexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate;sulfuric acid",C1[C@H]([C@@H]2[C@@H](C(=O)N1)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)C[C@H](CCCN)N)O.OS(=O)(=O)O,"InChI=1S/C19H34N8O8.H2O4S/c20-3-1-2-7(21)4-10(30)24-13-14(31)15(35-18(22)33)9(6-28)34-17(13)27-19-25-11-8(29)5-23-16(32)12(11)26-19;1-5(2,3)4/h7-9,11-15,17,28-29,31H,1-6,20-21H2,(H2,22,33)(H,23,32)(H,24,30)(H2,25,26,27);(H2,1,2,3,4)/t7-,8+,9+,11+,12-,13+,14-,15-,17+;/m0./s1",UDVWKDBCMFLRQW-TWRCRAKCSA-N,C19H36N8O12S,600.6,600.2173398,,352,897,0,12,15,11,40,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,1`-(1,2-ETHANEDIYL)BISPIPERIDINE",001932-04-3,74733,1-(2-piperidin-1-ylethyl)piperidine,C1CCN(CC1)CCN2CCCCC2,InChI=1S/C12H24N2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H2,UYMQPNRUQXPLCY-UHFFFAOYSA-N,C12H24N2,196.33,196.1939488,2,6.5,128,0,0,2,3,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-(2-THIAZOLYL)-1H-INDOLE,135531-86-1,636970,"2-(1H-indol-3-yl)-1,3-thiazole",C1=CC=C2C(=C1)C(=CN2)C3=NC=CS3,"InChI=1S/C11H8N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-7,13H",IYODIJVWGPRBGQ-UHFFFAOYSA-N,C11H8N2S,200.26,200.0408194,2.7,56.9,209,0,1,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
VABORBACTAM,1360457-46-0,56649692,"2-[(3R,6S)-2-hydroxy-3-[(2-thiophen-2-ylacetyl)amino]oxaborinan-6-yl]acetic acid",B1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)CC2=CC=CS2)O,"InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1",IOOWNWLVCOUUEX-WPRPVWTQSA-N,C12H16BNO5S,297.14,297.084224,,124,370,0,3,6,5,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5'-XANTHYLIC ACID, DISODIUM SALT",25899-70-1,10287649,"disodium;[(2R,3S,4R,5R)-5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate",C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)NC(=O)NC2=O.[Na+].[Na+],"InChI=1S/C10H13N4O9P.2Na/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17;;/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18);;/q;2*+1/p-2/t3-,5-,6-,9-;;/m1../s1",QQPVYRBCIRHGSZ-LGVAUZIVSA-L,C10H11N4Na2O9P,408.17,408.0059035,,198,573,0,4,10,3,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TORIN2,1223001-51-1,51358113,"9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one",C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F,"InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)",GUXXEUUYCAYESJ-UHFFFAOYSA-N,C24H15F3N4O,432.4,432.1197956,4.4,72.1,729,0,1,7,2,32,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BOCEPREVIR,394730-60-0,10324367,"(1R,2S,5S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide",CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCC3)C(=O)C(=O)N)C,"InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20+/m0/s1",LHHCSNFAOIFYRV-DOVBMPENSA-N,C27H45N5O5,519.7,519.3420696,3.1,151,959,0,4,5,10,37,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
TELAPREVIR,402957-28-2,3010818,"(3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide",CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)C5=NC=CN=C5,"InChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1",BBAWEDCPNXPBQM-GDEBMMAJSA-N,C36H53N7O6,679.8,679.4057324,4.2,180,1240,0,4,8,14,49,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"N-(17-(2-(4-ISOPROPYLTHIAZOLE-2-YL)-7-METHOXY-8-METHYLQUINOLIN-4-YLOXY)-13-METHYL-2,14-DIOXO-3,13-DIAZATRICYCLO(13.3.0.04,6)OCTADEC-7-ENE-4-CARBONYL)(CYCLOPROPYL)SULFONAMIDE",923604-59-5,24873435,"(1R,4R,6S,7Z,15R,17R)-N-cyclopropylsulfonyl-17-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide",CC1=C(C=CC2=C1N=C(C=C2O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C\[C@@H]5C[C@]5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)C7=NC(=CS7)C(C)C)OC,"InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/b10-8-/t23-,24-,27-,28-,38-/m1/s1",JTZZSQYMACOLNN-VDWJNHBNSA-N,C38H47N5O7S2,749.9,749.2916912,4.8,194,1490,0,2,10,8,52,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
APILIMOD,541550-19-0,10173277,N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine,CC1=CC(=CC=C1)/C=N/NC2=CC(=NC(=N2)OCCC3=CC=CC=N3)N4CCOCC4,"InChI=1S/C23H26N6O2/c1-18-5-4-6-19(15-18)17-25-28-21-16-22(29-10-13-30-14-11-29)27-23(26-21)31-12-8-20-7-2-3-9-24-20/h2-7,9,15-17H,8,10-14H2,1H3,(H,26,27,28)/b25-17+",HSKAZIJJKRAJAV-KOEQRZSOSA-N,C23H26N6O2,418.5,418.2117241,3.8,84.8,544,0,1,8,8,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,4,4A,8,8,8A-OCTAHYDRO-1,4:5,8-DIMETHANO-NAPHTHALENE",021635-90-5,136844,"tetracyclo[6.2.1.13,6.02,7]dodec-4-ene",C1CC2CC1C3C2C4CC3C=C4,"InChI=1S/C12H16/c1-2-8-5-7(1)11-9-3-4-10(6-9)12(8)11/h1-2,7-12H,3-6H2",XBFJAVXCNXDMBH-UHFFFAOYSA-N,C12H16,160.25,160.1252005,3.5,0,229,0,0,0,0,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CYCLOHEXYLDIPHENYLPHOSPHINE,006372-42-5,80756,cyclohexyl(diphenyl)phosphane,C1CCC(CC1)P(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C18H21P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2",ZXKWUYWWVSKKQZ-UHFFFAOYSA-N,C18H21P,268.3,268.1380877,4.9,0,226,0,0,0,3,19,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,1
"(5ALPHA,12BETA,19ALPHA)-2,3,6,7-TETRADEHYDROASPIDOSPERMIDINE-3-CARBOXYLIC ACID, METHYL ESTER",004429-63-4,20485,"methyl (1R,12R,19S)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate",CC[C@]12CC(=C3[C@@]4([C@H]1N(CC4)CC=C2)C5=CC=CC=C5N3)C(=O)OC,"InChI=1S/C21H24N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-9,19,22H,3,10-13H2,1-2H3/t19-,20-,21-/m0/s1",FNGGIPWAZSFKCN-ACRUOGEOSA-N,C21H24N2O2,336.4,336.183778,3.4,41.6,669,0,1,4,3,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
2-(4-MORPHOLINYL)-8-PHENYL-4H-1-BENZOPYRAN-4-ONE,154447-36-6,3973,2-morpholin-4-yl-8-phenylchromen-4-one,C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4,"InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2",CZQHHVNHHHRRDU-UHFFFAOYSA-N,C19H17NO3,307.3,307.1208434,3.1,38.8,463,0,0,4,2,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-ACETYLINDOLIN-3-ONE,016800-68-3,538819,1-acetyl-2H-indol-3-one,CC(=O)N1CC(=O)C2=CC=CC=C21,"InChI=1S/C10H9NO2/c1-7(12)11-6-10(13)8-4-2-3-5-9(8)11/h2-5H,6H2,1H3",AUMJJQZNOVOCGY-UHFFFAOYSA-N,C10H9NO2,175.18,175.0633285,0.9,37.4,249,0,0,2,0,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"OXEPANE-2,7-DIONE",002035-75-8,567658,"oxepane-2,7-dione",C1CCC(=O)OC(=O)C1,InChI=1S/C6H8O3/c7-5-3-1-2-4-6(8)9-5/h1-4H2,JPSKCQCQZUGWNM-UHFFFAOYSA-N,C6H8O3,128.13,128.0473441,0.3,43.4,123,0,0,3,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DODECAHYDRO-1H-CARBAZOLE,006326-88-1,95732,"2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazole",C1CCC2C(C1)C3CCCCC3N2,"InChI=1S/C12H21N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h9-13H,1-8H2",SBVSDAFTZIVQEI-UHFFFAOYSA-N,C12H21N,179.3,179.1673997,3,12,170,0,1,1,0,13,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CHLOROCYCLOPENTADIENYLBIS(TRIPHENYLPHOSPHINE)RUTHENIUM(II),032993-05-8,76030739,"cyclopenta-1,3-diene;ruthenium(2+);bis(triphenylphosphane);chloride",[CH-]1C=CC=C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Ru+2],InChI=1S/2C18H15P.C5H5.ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;;/h2*1-15H;1-5H;1H;/q;;-1;;+2/p-1,QHMOWPJARYQHOB-UHFFFAOYSA-M,C41H35ClP2Ru,726.2,726.094593,,0,213,0,0,2,6,45,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PYRVINIUM PAMOATE,003546-41-6,54680693,"3-carboxy-1-[(3-carboxy-2-oxidonaphthalen-1-yl)methyl]naphthalen-2-olate;bis(2-[(E)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-N,N,1-trimethylquinolin-1-ium-6-amine)",CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/C3=[N+](C4=C(C=C(C=C4)N(C)C)C=C3)C.CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/C3=[N+](C4=C(C=C(C=C4)N(C)C)C=C3)C.C1=CC=C2C(=C(C(=CC2=C1)C(=O)O)[O-])CC3=C(C(=CC4=CC=CC=C34)C(=O)O)[O-],"InChI=1S/2C26H28N3.C23H16O6/c2*1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5;24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h2*6-18H,1-5H3;1-10,24-25H,11H2,(H,26,27)(H,28,29)/q2*+1;/p-2",OOPDAHSJBRZRPH-UHFFFAOYSA-L,C75H70N6O6,1151.4,1150.535684,,145,1120,0,2,8,12,87,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDINE 1-OXYL BENZOATE",003225-26-1,2847363,,CC1(CC(CC(N1[O])(C)C)OC(=O)C2=CC=CC=C2)C,"InChI=1S/C16H22NO3/c1-15(2)10-13(11-16(3,4)17(15)19)20-14(18)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3",MJEDTBDGYVATPI-UHFFFAOYSA-N,C16H22NO3,276.35,276.1599686,3.1,30.5,341,0,0,3,3,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0
"7,8-DIMETHYLALLOXAZINE",001086-80-2,5326566,"7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione",CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3,"InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)",ZJTJUVIJVLLGSP-UHFFFAOYSA-N,C12H10N4O2,242.23,242.0803756,1.1,84,386,0,2,4,0,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(4AS,5R,6S)-5-ETHENYL-6-(BETA-D-GLUCOPYRANOSYLOXY)-4,4A,5,6-TETRAHYDRO-1H,3H-PYRANO[3,4-C]PYRAN-1-ONE1,9-TRANS-9,5-CIS-SWEROSIDE",014215-86-2,161036,"(3S,4R,4aS)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one",C=C[C@@H]1[C@@H]2CCOC(=O)C2=CO[C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,"InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1",VSJGJMKGNMDJCI-ZASXJUAOSA-N,C16H22O9,358.34,358.1263823,-0.9,135,548,0,4,9,4,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,3A,6,6A-TETRAHYDRO-2H-CYCLOPENTA[B]FURAN-2-ONE",034638-25-0,4582877,"3,3a,6,6a-tetrahydrocyclopenta[b]furan-2-one",C1C=CC2C1OC(=O)C2,"InChI=1S/C7H8O2/c8-7-4-5-2-1-3-6(5)9-7/h1-2,5-6H,3-4H2",RYBPGUMSFWGGLP-UHFFFAOYSA-N,C7H8O2,124.14,124.0524295,0.8,26.3,172,0,0,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,6,8-TETRAAZATRICYCLO[4.4.1.13,8]DODECANE",000051-46-7,66123,"1,3,6,8-tetrazatricyclo[4.4.1.13,8]dodecane",C1CN2CN3CCN(C2)CN1C3,InChI=1S/C8H16N4/c1-2-10-7-11-3-4-12(8-10)6-9(1)5-11/h1-8H2,YHNNUDUEGSHVGJ-UHFFFAOYSA-N,C8H16N4,168.24,168.1374965,0.1,13,128,0,0,4,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"2H-Benzo(a)quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy",000058-46-8,6018,"9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one",CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=O)OC)OC,"InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3",MKJIEFSOBYUXJB-UHFFFAOYSA-N,C19H27NO3,317.4,317.1990937,2.9,38.8,425,0,0,4,4,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Guanidine, (2-(hexahydro-1(2H)-azocinyl)ethyl)-, sulfate (2:1)",000060-02-6,65328,bis(2-[2-(azocan-1-yl)ethyl]guanidine);sulfuric acid,C1CCCN(CCC1)CCN=C(N)N.C1CCCN(CCC1)CCN=C(N)N.OS(=O)(=O)O,"InChI=1S/2C10H22N4.H2O4S/c2*11-10(12)13-6-9-14-7-4-2-1-3-5-8-14;1-5(2,3)4/h2*1-9H2,(H4,11,12,13);(H2,1,2,3,4)",NBJGGHFXCGHTNJ-UHFFFAOYSA-N,C20H46N8O4S,494.7,494.3362732,,218,248,0,6,8,6,33,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Veratramine-,000060-70-8,6070,"(2S,3R,5S)-2-[(1S)-1-[(3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-9-yl]ethyl]-5-methylpiperidin-3-ol",C[C@H]1C[C@H]([C@@H](NC1)[C@@H](C)C2=C(C3=C(C=C2)[C@@H]4CC=C5C[C@H](CC[C@@]5([C@H]4C3)C)O)C)O,"InChI=1S/C27H39NO2/c1-15-11-25(30)26(28-14-15)17(3)20-7-8-21-22-6-5-18-12-19(29)9-10-27(18,4)24(22)13-23(21)16(20)2/h5,7-8,15,17,19,22,24-26,28-30H,6,9-14H2,1-4H3/t15-,17-,19-,22-,24-,25+,26-,27-/m0/s1",MALFODICFSIXPO-KFKQDBFTSA-N,C27H39NO2,409.6,409.2980795,4.3,52.5,676,0,3,3,2,30,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PICRASA-2,12-DIENE-1,11,16-TRIONE, 2,12-DIMETHOXY-",000076-78-8,65571,"(1S,2S,6S,7S,9R,13R,17S)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,11,16-trione",C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2C(=O)C(=C([C@@H]4CC(=O)O3)C)OC)C)C)OC,"InChI=1S/C22H28O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15,19H,8-9H2,1-6H3/t10-,12+,13+,15-,19+,21-,22+/m1/s1",IOSXSVZRTUWBHC-LBTVDEKVSA-N,C22H28O6,388.5,388.1885886,2.4,78.9,838,0,0,6,2,28,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenothiazine, 10-(2-(1-pyrrolidinyl)ethyl)-",000084-08-2,10646,10-(2-pyrrolidin-1-ylethyl)phenothiazine,C1CCN(C1)CCN2C3=CC=CC=C3SC4=CC=CC=C42,"InChI=1S/C18H20N2S/c1-3-9-17-15(7-1)20(14-13-19-11-5-6-12-19)16-8-2-4-10-18(16)21-17/h1-4,7-10H,5-6,11-14H2",KJKJUXGEMYCCJN-UHFFFAOYSA-N,C18H20N2S,296.4,296.1347198,4.7,31.8,320,0,0,3,3,21,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"11H-BENZO[A]CARBAZOLE-3-CARBOXAMIDE, 2-HYDROXY-N-(4-METHOXYPHENYL)-",000086-19-1,66572,2-hydroxy-N-(4-methoxyphenyl)-11H-benzo[a]carbazole-3-carboxamide,COC1=CC=C(C=C1)NC(=O)C2=C(C=C3C(=C2)C=CC4=C3NC5=CC=CC=C45)O,"InChI=1S/C24H18N2O3/c1-29-16-9-7-15(8-10-16)25-24(28)20-12-14-6-11-18-17-4-2-3-5-21(17)26-23(18)19(14)13-22(20)27/h2-13,26-27H,1H3,(H,25,28)",HRNSEOMPRWUKQL-UHFFFAOYSA-N,C24H18N2O3,382.4,382.1317424,5.6,74.4,591,0,3,3,3,29,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"8-QUINOLINOL, BENZOATE (ESTER)",000086-75-9,6855,quinolin-8-yl benzoate,C1=CC=C(C=C1)C(=O)OC2=CC=CC3=C2N=CC=C3,InChI=1S/C16H11NO2/c18-16(13-6-2-1-3-7-13)19-14-10-4-8-12-9-5-11-17-15(12)14/h1-11H,BHKPHCKISVSDGV-UHFFFAOYSA-N,C16H11NO2,249.26,249.0789786,3.7,39.2,312,0,0,3,3,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEMETHANAMINE, N-PHENYL-N-(PHENYLMETHYL)-",000091-73-6,66681,"N,N-dibenzylaniline",C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C20H19N/c1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)17-19-12-6-2-7-13-19/h1-15H,16-17H2",ISGXOWLMGOPVPB-UHFFFAOYSA-N,C20H19N,273.4,273.1517496,5.7,3.2,250,0,0,1,5,21,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3,5-TRIAZINE, HEXAHYDRO-1,3,5-TRIPHENYL-",000091-78-1,7065,"1,3,5-triphenyl-1,3,5-triazinane",C1N(CN(CN1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C21H21N3/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-15H,16-18H2",VASMRQAVWVVDPA-UHFFFAOYSA-N,C21H21N3,315.4,315.1735477,5.7,9.7,298,0,0,3,3,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONAMIDE, 4-METHYL-N-[4-(PHENYLAMINO)PHENYL]-",000100-93-6,66856,N-(4-anilinophenyl)-4-methylbenzenesulfonamide,CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3,"InChI=1S/C19H18N2O2S/c1-15-7-13-19(14-8-15)24(22,23)21-18-11-9-17(10-12-18)20-16-5-3-2-4-6-16/h2-14,20-21H,1H3",KEZPMZSDLBJCHH-UHFFFAOYSA-N,C19H18N2O2S,338.4,338.108899,4.3,66.6,466,0,2,4,5,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZ[CD]INDOL-2(1H)-ONE,000130-00-7,67222,1H-benzo[cd]indol-2-one,C1=CC2=C3C(=C1)C(=O)NC3=CC=C2,"InChI=1S/C11H7NO/c13-11-8-5-1-3-7-4-2-6-9(12-11)10(7)8/h1-6H,(H,12,13)",GPYLCFQEKPUWLD-UHFFFAOYSA-N,C11H7NO,169.18,169.0527638,2.1,29.1,238,0,1,1,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-DIBENZOFURANCARBOXAMIDE, N-(2,5-DIMETHOXYPHENYL)-2-HYDROXY-",000132-62-7,67239,"N-(2,5-dimethoxyphenyl)-2-hydroxydibenzofuran-3-carboxamide",COC1=CC(=C(C=C1)OC)NC(=O)C2=C(C=C3C4=CC=CC=C4OC3=C2)O,"InChI=1S/C21H17NO5/c1-25-12-7-8-19(26-2)16(9-12)22-21(24)15-11-20-14(10-17(15)23)13-5-3-4-6-18(13)27-20/h3-11,23H,1-2H3,(H,22,24)",IWWAOEHIGYWDRA-UHFFFAOYSA-N,C21H17NO5,363.4,363.1106726,4.6,80.9,529,0,2,5,4,27,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENESULFONIC ACID, 7-(BENZOYLAMINO)-4-HYDROXY-",000132-87-6,67242,7-benzamido-4-hydroxynaphthalene-2-sulfonic acid,C1=CC=C(C=C1)C(=O)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O,"InChI=1S/C17H13NO5S/c19-16-10-14(24(21,22)23)9-12-8-13(6-7-15(12)16)18-17(20)11-4-2-1-3-5-11/h1-10,19H,(H,18,20)(H,21,22,23)",ZLHGMJOGMLVDFS-UHFFFAOYSA-N,C17H13NO5S,343.4,343.0514437,0.7,112,552,0,3,5,3,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"Piperidine, 1-(1,4-benzodioxan-2-ylmethyl)-, hydrochloride",000135-87-5,101619,"1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine;hydrochloride",C1CCN(CC1)CC2COC3=CC=CC=C3O2.Cl,"InChI=1S/C14H19NO2.ClH/c1-4-8-15(9-5-1)10-12-11-16-13-6-2-3-7-14(13)17-12;/h2-3,6-7,12H,1,4-5,8-11H2;1H",BITRJBQGQMGGQI-UHFFFAOYSA-N,C14H20ClNO2,269.77,269.1182566,,21.7,240,0,1,3,2,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-PYRIMIDINAMINE, 1,3-BIS(2-ETHYLHEXYL)HEXAHYDRO-5-METHYL-",000141-94-6,3607,"1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine",CCCCC(CC)CN1CC(CN(C1)CC(CC)CCCC)(C)N,"InChI=1S/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3",DTOUUUZOYKYHEP-UHFFFAOYSA-N,C21H45N3,339.6,339.3613484,5.7,32.5,292,0,1,3,12,24,,160 °C at 0.4 mm Hg,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Sulfanilamide, N(sup 1)-(3-methoxypyrazinyl)-",000152-47-6,9047,4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide,COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)N,"InChI=1S/C11H12N4O3S/c1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)",KXRZBTAEDBELFD-UHFFFAOYSA-N,C11H12N4O3S,280.31,280.0630114,0.7,116,376,0,2,7,4,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
11H-Benzo(a)carbazole,000239-01-0,9196,11H-benzo[a]carbazole,C1=CC=C2C(=C1)C=CC3=C2NC4=CC=CC=C34,"InChI=1S/C16H11N/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h1-10,17H",MYKQKWIPLZEVOW-UHFFFAOYSA-N,C16H11N,217.26,217.0891494,5,15.8,287,0,1,0,0,17,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,6-NAPHTHYRIDINE",000253-72-5,67488,"1,6-naphthyridine",C1=CC2=C(C=CN=C2)N=C1,InChI=1S/C8H6N2/c1-2-7-6-9-5-3-8(7)10-4-1/h1-6H,VSOSXKMEQPYESP-UHFFFAOYSA-N,C8H6N2,130.15,130.0530982,1.1,25.8,114,0,0,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-alpha-Solanidan-3-beta-ol,000474-08-8,101379,"(1S,2R,5S,7S,10S,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosan-7-ol",C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C,"InChI=1S/C27H45NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,29H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1",JALVTHFTYRPDMB-HRRTYWNUSA-N,C27H45NO,399.7,399.3501151,6.9,23.5,663,0,1,2,0,29,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Cepharanthine-,000481-49-2,10206,"(14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19(37),21,23,25(36),31,34-dodecaene",CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)C[C@@H]7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3,"InChI=1S/C37H38N2O6/c1-38-13-11-24-18-31(41-4)33-20-27(24)28(38)16-23-7-10-30(40-3)32(17-23)44-26-8-5-22(6-9-26)15-29-35-25(12-14-39(29)2)19-34-36(37(35)45-33)43-21-42-34/h5-10,17-20,28-29H,11-16,21H2,1-4H3/t28-,29+/m1/s1",YVPXVXANRNDGTA-WDYNHAJCSA-N,C37H38N2O6,606.7,606.2729869,6.5,61.9,994,0,0,8,2,45,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1H-2-BENZOPYRAN-1-ONE,000491-31-6,68108,isochromen-1-one,C1=CC=C2C(=C1)C=COC2=O,InChI=1S/C9H6O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,IQZZFVDIZRWADY-UHFFFAOYSA-N,C9H6O2,146.14,146.0367794,1.9,26.3,196,0,0,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,6-TRIMETHYL-2,4,6-TRIPHENYLCYCLOTRISILOXANE",000546-45-2,18901,"2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trioxatrisilinane",C[Si]1(O[Si](O[Si](O1)(C)C2=CC=CC=C2)(C)C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C21H24O3Si3/c1-25(19-13-7-4-8-14-19)22-26(2,20-15-9-5-10-16-20)24-27(3,23-25)21-17-11-6-12-18-21/h4-18H,1-3H3",HAURRGANAANPSQ-UHFFFAOYSA-N,C21H24O3Si3,408.7,408.1033242,,27.7,414,0,0,3,3,27,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ergoline, 8,9-didehydro-6,8-dimethyl-",000548-42-5,73484,"(6aR,10aR)-7,9-dimethyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline",CC1=C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C,"InChI=1S/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8,13,15,17H,7,9H2,1-2H3/t13-,15-/m1/s1",XJOOMMHNYOJWCZ-UKRRQHHQSA-N,C16H18N2,238.33,238.1469986,2.6,19,375,0,1,1,0,18,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrrolidinium, 1,1-dimethyl-3-hydroxy-, bromide, alpha-cyclopentylmandelate",000596-51-0,11693,"(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide",C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[Br-],"InChI=1S/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1",VPNYRYCIDCJBOM-UHFFFAOYSA-M,C19H28BrNO3,398.3,397.12526,,46.5,424,0,1,4,5,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-BUTENEDIOIC ACID (Z)-, DICYCLOHEXYL ESTER",000621-13-6,5354318,dicyclohexyl (Z)-but-2-enedioate,C1CCC(CC1)OC(=O)/C=C\C(=O)OC2CCCCC2,"InChI=1S/C16H24O4/c17-15(19-13-7-3-1-4-8-13)11-12-16(18)20-14-9-5-2-6-10-14/h11-14H,1-10H2/b12-11-",BLKQQTCUGZJWLN-QXMHVHEDSA-N,C16H24O4,280.36,280.1674592,3.8,52.6,315,0,0,4,6,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"BENZENECARBOTHIOAMIDE, N-PHENYL-",000636-04-4,668263,N-phenylbenzenecarbothioamide,C1=CC=C(C=C1)C(=S)NC2=CC=CC=C2,"InChI=1S/C13H11NS/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,14,15)",BOQKCADLPNLYCZ-UHFFFAOYSA-N,C13H11NS,213.3,213.0612205,3,44.1,203,0,1,1,2,15,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"GERMANE, TETRAPHENYL-",001048-05-1,66103,tetraphenylgermane,C1=CC=C(C=C1)[Ge](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C24H20Ge/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H",ILEXMONMGUVLRM-UHFFFAOYSA-N,C24H20Ge,381,382.0776784,,0,301,0,0,0,4,25,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-CYCLOHEXENE-1,4-DIONE, 2,6,6-TRIMETHYL-",001125-21-9,62374,"2,6,6-trimethylcyclohex-2-ene-1,4-dione",CC1=CC(=O)CC(C1=O)(C)C,"InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3",AYJXHIDNNLJQDT-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,1,34.1,246,0,0,2,0,11,,92.00 to 94.00 °C. @ 11.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"CYCLOPENTANONE, OXIME",001192-28-5,14500,N-cyclopentylidenehydroxylamine,C1CCC(=NO)C1,"InChI=1S/C5H9NO/c7-6-5-3-1-2-4-5/h7H,1-4H2",YGNXYFLJZILPEK-UHFFFAOYSA-N,C5H9NO,99.13,99.06841391,0.7,32.6,80,0,1,2,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BICYCLO[3.1.1]HEPT-3-EN-2-ONE, 4,6,6-TRIMETHYL-, (1S)-",001196-01-6,92874,"(1S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one",CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C,"InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m0/s1",DCSCXTJOXBUFGB-JGVFFNPUSA-N,C10H14O,150.22,150.1044651,1.6,17.1,248,0,0,1,0,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"5(4H)-OXAZOLONE, 2-PHENYL-",001199-01-5,65073,"2-phenyl-4H-1,3-oxazol-5-one",C1C(=O)OC(=N1)C2=CC=CC=C2,"InChI=1S/C9H7NO2/c11-8-6-10-9(12-8)7-4-2-1-3-5-7/h1-5H,6H2",QKCKCXFWENOGER-UHFFFAOYSA-N,C9H7NO2,161.16,161.0476785,1.4,38.7,217,0,0,3,1,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-PYRROLE, 1-(2-FURANYLMETHYL)-",001438-94-4,15037,1-(furan-2-ylmethyl)pyrrole,C1=CN(C=C1)CC2=CC=CO2,"InChI=1S/C9H9NO/c1-2-6-10(5-1)8-9-4-3-7-11-9/h1-7H,8H2",BTBFUBUCCJKJOZ-UHFFFAOYSA-N,C9H9NO,147.17,147.0684139,1.4,18.1,121,0,0,1,2,11,,77.00 to 79.00 °C. @ 1.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"DISILANE, HEXAPHENYL-",001450-23-3,74059,triphenyl(triphenylsilyl)silane,C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6,"InChI=1S/C36H30Si2/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32,33-23-11-3-12-24-33)38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H",ZMHATUZXFSOVSC-UHFFFAOYSA-N,C36H30Si2,518.8,518.188604,,0,529,0,0,0,7,38,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"GERMANE, CHLOROTRIPHENYL-",001626-24-0,74197,chloro(triphenyl)germane,C1=CC=C(C=C1)[Ge](C2=CC=CC=C2)(C3=CC=CC=C3)Cl,"InChI=1S/C18H15ClGe/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",ONQMBYVVEVFYRP-UHFFFAOYSA-N,C18H15ClGe,339.4,340.0074059,,0,240,0,0,0,3,20,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"HYDRAZINE, 1,1-DIPHENYL-2-(2,4,6-TRINITROPHENYL)-",001707-75-1,74358,"1,1-diphenyl-2-(2,4,6-trinitrophenyl)hydrazine",C1=CC=C(C=C1)N(C2=CC=CC=C2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C18H13N5O6/c24-21(25)15-11-16(22(26)27)18(17(12-15)23(28)29)19-20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,19H",WCBPJVKVIMMEQC-UHFFFAOYSA-N,C18H13N5O6,395.3,395.0865832,5.5,153,549,0,1,8,4,29,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Benzimidazolinone, 1-(1-(4,4-bis(p-fluorophenyl)butyl)-4-piperidyl)-",002062-78-4,16362,"3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one",C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F,"InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)",YVUQSNJEYSNKRX-UHFFFAOYSA-N,C28H29F2N3O,461.5,461.2278689,6.3,35.6,632,0,1,4,7,34,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
HYDROQUINONE DIGLYCIDYL ETHER,002425-01-6,62443,2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane,C1C(O1)COC2=CC=C(C=C2)OCC3CO3,"InChI=1S/C12H14O4/c1-2-10(14-6-12-8-16-12)4-3-9(1)13-5-11-7-15-11/h1-4,11-12H,5-8H2",FSYPIGPPWAJCJG-UHFFFAOYSA-N,C12H14O4,222.24,222.0892089,1.2,43.5,201,0,0,4,6,16,,,0,0,0,1,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"3-CYCLOHEXENE-1-CARBOXYLIC ACID, 3-CYCLOHEXEN-1-YLMETHYL ESTER",002611-00-9,17465,cyclohex-3-en-1-ylmethyl cyclohex-3-ene-1-carboxylate,C1CC(CC=C1)COC(=O)C2CCC=CC2,"InChI=1S/C14H20O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-3,5,12-13H,4,6-11H2",FJPFRSQDAFMEKD-UHFFFAOYSA-N,C14H20O2,220.31,220.1463299,3.4,26.3,291,0,0,2,4,16,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"PYRIDINIUM, 1-[[(3-NITROPHENYL)METHOXY]METHYL]-, CHLORIDE",003009-13-0,76370,1-[(3-nitrophenyl)methoxymethyl]pyridin-1-ium chloride,C1=CC=[N+](C=C1)COCC2=CC(=CC=C2)[N+](=O)[O-].[Cl-],"InChI=1S/C13H13N2O3.ClH/c16-15(17)13-6-4-5-12(9-13)10-18-11-14-7-2-1-3-8-14;/h1-9H,10-11H2;1H/q+1;/p-1",BITDLWAQPKSXTF-UHFFFAOYSA-M,C13H13ClN2O3,280.7,280.06147,,58.9,261,0,0,4,4,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"FURAN, TETRAHYDRO-2-(3-PHENYLPROPYL)-",003208-40-0,62490,2-(3-phenylpropyl)oxolane,C1CC(OC1)CCCC2=CC=CC=C2,"InChI=1S/C13H18O/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-14-13/h1-3,6-7,13H,4-5,8-11H2",PBXKRPSGIACPQF-UHFFFAOYSA-N,C13H18O,190.28,190.1357652,3.3,9.2,149,0,0,1,4,14,,105.00 to 107.00 °C. @ 1.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 5-CHLORO-2-[4-CHLORO-2-[[[(3,4-DICHLOROPHENYL)AMINO]CARB",003567-25-7,23669621,"sodium 5-chloro-2-[4-chloro-2-[(3,4-dichlorophenyl)carbamoylamino]phenoxy]benzenesulfonate",C1=CC(=C(C=C1NC(=O)NC2=C(C=CC(=C2)Cl)OC3=C(C=C(C=C3)Cl)S(=O)(=O)[O-])Cl)Cl.[Na+],"InChI=1S/C19H12Cl4N2O5S.Na/c20-10-1-5-16(30-17-6-2-11(21)8-18(17)31(27,28)29)15(7-10)25-19(26)24-12-3-4-13(22)14(23)9-12;/h1-9H,(H2,24,25,26)(H,27,28,29);/q;+1/p-1",NMGNJWORLGLLHQ-UHFFFAOYSA-M,C19H11Cl4N2NaO5S,544.2,543.901098,,116,731,0,2,5,5,32,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"NAPHTH[2,3-C]ACRIDINE-5,8,14(13H)-TRIONE",003569-01-5,77114,"13H-naphtho[2,3-c]acridine-5,8,14-trione",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)C(=O)C5=CC=CC=C5N4,"InChI=1S/C21H11NO3/c23-19-11-5-1-2-6-12(11)21(25)17-14(19)9-10-15-18(17)22-16-8-4-3-7-13(16)20(15)24/h1-10H,(H,22,24)",BARVYLKNIVAHDY-UHFFFAOYSA-N,C21H11NO3,325.3,325.0738932,3.9,63.2,614,0,1,4,0,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-piperidinoethyl",003717-88-2,441345,2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride,CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4.Cl,"InChI=1S/C24H25NO4.ClH/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25;/h2,4-5,8-12H,3,6-7,13-16H2,1H3;1H",XOEVKNFZUQEERE-UHFFFAOYSA-N,C24H26ClNO4,427.9,427.155036,,55.8,631,0,1,5,6,30,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
FUBERIDAZOLE,003878-19-1,19756,2-(furan-2-yl)-1H-benzimidazole,C1=CC=C2C(=C1)NC(=N2)C3=CC=CO3,"InChI=1S/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)",UYJUZNLFJAWNEZ-UHFFFAOYSA-N,C11H8N2O,184.19,184.0636629,2.2,41.8,209,0,1,2,1,14,,,1,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,1,0
"SILACYCLOHEXANE, 1,1-DIMETHYL-",004040-74-8,77659,"1,1-dimethylsilinane",C[Si]1(CCCCC1)C,"InChI=1S/C7H16Si/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3",VPVXTYYXTKCTPM-UHFFFAOYSA-N,C7H16Si,128.29,128.102127,,0,68,0,0,0,0,8,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-PROPANEDIOL, 2,2-BIS[(BENZOYLOXY)METHYL]-, DIBENZOATE",004196-86-5,20167,"[3-benzoyloxy-2,2-bis(benzoyloxymethyl)propyl] benzoate",C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)(COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4,"InChI=1S/C33H28O8/c34-29(25-13-5-1-6-14-25)38-21-33(22-39-30(35)26-15-7-2-8-16-26,23-40-31(36)27-17-9-3-10-18-27)24-41-32(37)28-19-11-4-12-20-28/h1-20H,21-24H2",MINJAOUGXYRTEI-UHFFFAOYSA-N,C33H28O8,552.6,552.1784179,6.5,105,704,0,0,8,16,41,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrrolidinium, 1,1-diethyl-3-diphenylmethylene-2-methyl-, bromide",004630-95-9,20749,"3-benzhydrylidene-1,1-diethyl-2-methylpyrrolidin-1-ium bromide",CC[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C1C)CC.[Br-],"InChI=1S/C22H28N.BrH/c1-4-23(5-2)17-16-21(18(23)3)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,18H,4-5,16-17H2,1-3H3;1H/q+1;/p-1",UCGJZJXOPSNTGZ-UHFFFAOYSA-M,C22H28BrN,386.4,385.14051,,0,386,0,0,1,4,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,3-Pyridinedicarboximide",004664-00-0,72829,"pyrrolo[3,4-b]pyridine-5,7-dione",C1=CC2=C(C(=O)NC2=O)N=C1,"InChI=1S/C7H4N2O2/c10-6-4-2-1-3-8-5(4)7(11)9-6/h1-3H,(H,9,10,11)",ZRKGTINFVOLLNT-UHFFFAOYSA-N,C7H4N2O2,148.12,148.0272774,0,59.1,214,0,1,3,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Cyclohexene-1,2-dicarboximide",004720-86-9,34024,"4,5,6,7-tetrahydroisoindole-1,3-dione",C1CCC2=C(C1)C(=O)NC2=O,"InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H2,(H,9,10,11)",AFJWMGOTLUUGHF-UHFFFAOYSA-N,C8H9NO2,151.16,151.0633285,0.7,46.2,239,0,1,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"PYRIDINIUM, 3-(AMINOCARBONYL)-1-(PHENYLMETHYL)-, CHLORIDE",005096-13-9,78774,1-benzylpyridin-1-ium-3-carboxamide chloride,C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)N.[Cl-],"InChI=1S/C13H12N2O.ClH/c14-13(16)12-7-4-8-15(10-12)9-11-5-2-1-3-6-11;/h1-8,10H,9H2,(H-,14,16);1H",XLYNVJJFQHWCEU-UHFFFAOYSA-N,C13H13ClN2O,248.71,248.0716407,,47,236,0,1,2,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(1H)-PYRIMIDINETHIONE, 3,4-DIHYDRO-4,4,6-TRIMETHYL-",005392-23-4,965143,"4,4,6-trimethyl-1,3-dihydropyrimidine-2-thione",CC1=CC(NC(=S)N1)(C)C,"InChI=1S/C7H12N2S/c1-5-4-7(2,3)9-6(10)8-5/h4H,1-3H3,(H2,8,9,10)",XWJVPBHZMKZXII-UHFFFAOYSA-N,C7H12N2S,156.25,156.0721196,0.9,56.2,194,0,2,1,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"1-TRIAZENE, 1-(4-NITROPHENYL)-3-[4-(PHENYLAZO)PHENYL]-",005392-67-6,135408754,N-[(4-nitrophenyl)diazenyl]-4-phenyldiazenylaniline,C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NN=NC3=CC=C(C=C3)[N+](=O)[O-],"InChI=1S/C18H14N6O2/c25-24(26)18-12-10-17(11-13-18)22-23-21-16-8-6-15(7-9-16)20-19-14-4-2-1-3-5-14/h1-13H,(H,21,22)",SMMIDVLUFMPWFN-UHFFFAOYSA-N,C18H14N6O2,346.3,346.1178237,5.6,107,484,0,1,7,5,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1H-Naphtho(2,1-b)pyran-1-one, 3-phenyl-",006051-87-2,2361,3-phenylbenzo[f]chromen-1-one,C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC4=CC=CC=C43,InChI=1S/C19H12O2/c20-16-12-18(14-7-2-1-3-8-14)21-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-12H,OUGIDAPQYNCXRA-UHFFFAOYSA-N,C19H12O2,272.3,272.0837296,4.4,26.3,433,0,0,2,1,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,7-METHANO-5H-INDEN-5-ONE, 1,3A,4,6,7,7A-HEXAHYDRO-",006316-16-1,95184,"tricyclo[5.2.1.02,6]dec-4-en-8-one",C1C=CC2C1C3CC2C(=O)C3,"InChI=1S/C10H12O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h1,3,6-9H,2,4-5H2",UCWKJFXRPXCVCD-UHFFFAOYSA-N,C10H12O,148.2,148.088815,1.3,17.1,241,0,0,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ANTHRACENE, TETRADECAHYDRO-",006596-35-6,93034,"1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene",C1CCC2CC3CCCCC3CC2C1,"InChI=1S/C14H24/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h11-14H,1-10H2",GVJFFQYXVOJXFI-UHFFFAOYSA-N,C14H24,192.34,192.1878008,6,0,154,0,0,0,0,14,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4,8,10-TETRAOXASPIRO[5.5]UNDECANE, 3,9-DI-3-CYCLOHEXEN-1-YL-",006600-31-3,98143,"3,9-di(cyclohex-3-en-1-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane",C1CC(CC=C1)C2OCC3(CO2)COC(OC3)C4CCC=CC4,"InChI=1S/C19H28O4/c1-3-7-15(8-4-1)17-20-11-19(12-21-17)13-22-18(23-14-19)16-9-5-2-6-10-16/h1-3,5,15-18H,4,6-14H2",WKTJXDHLMJKSGI-UHFFFAOYSA-N,C19H28O4,320.4,320.1987594,3.2,36.9,397,0,0,4,2,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-PHOSPHOLE, 2,5-DIHYDRO-3-METHYL-1-PHENYL-, 1-OXIDE",007564-51-4,82053,"3-methyl-1-phenyl-2,5-dihydro-1lambda5-phosphole 1-oxide",CC1=CCP(=O)(C1)C2=CC=CC=C2,"InChI=1S/C11H13OP/c1-10-7-8-13(12,9-10)11-5-3-2-4-6-11/h2-7H,8-9H2,1H3",DBZGWWBWDYGSRA-UHFFFAOYSA-N,C11H13OP,192.19,192.070402,1.1,17.1,261,0,0,1,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Caffeine-and-sodium-benzoate-,008000-95-1,23669229,"sodium;1,3,7-trimethylpurine-2,6-dione;benzoate",CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C1=CC=C(C=C1)C(=O)[O-].[Na+],"InChI=1S/C8H10N4O2.C7H6O2.Na/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;8-7(9)6-4-2-1-3-5-6;/h4H,1-3H3;1-5H,(H,8,9);/q;;+1/p-1",JWBPVFVNISJVEM-UHFFFAOYSA-M,C15H15N4NaO4,338.29,338.0990993,,98.6,401,0,0,5,1,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-CYCLOHEXEN-1-ONE, 3-PHENYL-",010345-87-6,82567,3-phenylcyclohex-2-en-1-one,C1CC(=CC(=O)C1)C2=CC=CC=C2,"InChI=1S/C12H12O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2",DIELDZAPFMXAHA-UHFFFAOYSA-N,C12H12O,172.22,172.088815,2.1,17.1,221,0,0,1,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZO[B]THIOPHEN-4(5H)-ONE, 6,7-DIHYDRO-",013414-95-4,83418,"6,7-dihydro-5H-1-benzothiophen-4-one",C1CC2=C(C=CS2)C(=O)C1,"InChI=1S/C8H8OS/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5H,1-3H2",GJEKNELSXNSYAQ-UHFFFAOYSA-N,C8H8OS,152.22,152.0295861,1.7,45.3,155,0,0,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-PHOSPHOLE, 2,5-DIHYDRO-1,3-DIMETHYL-, 1-OXIDE",015450-79-0,84920,"1,3-dimethyl-2,5-dihydro-1lambda5-phosphole 1-oxide",CC1=CCP(=O)(C1)C,"InChI=1S/C6H11OP/c1-6-3-4-8(2,7)5-6/h3H,4-5H2,1-2H3",IAWDXWMSIQOZTQ-UHFFFAOYSA-N,C6H11OP,130.12,130.054752,-0.5,17.1,169,0,0,1,0,8,,,1,1,1,1,0,1,1,1,0,0,1,0,0,0,0,0,1,0,0,1
"4-PHENYLTHIOMPRPHOLINE, 1,1-DIOXIDE",017688-68-5,87241,"4-phenyl-1,4-thiazinane 1,1-dioxide",C1CS(=O)(=O)CCN1C2=CC=CC=C2,"InChI=1S/C10H13NO2S/c12-14(13)8-6-11(7-9-14)10-4-2-1-3-5-10/h1-5H,6-9H2",OLQHDKQJHKZUNN-UHFFFAOYSA-N,C10H13NO2S,211.28,211.0666998,0.9,45.8,261,0,0,3,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamic acid, (((8-beta)-1,6-dimethylergolin-8-yl)methyl)-, benzyl ester",017692-51-2,28693,"benzyl N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]carbamate",CN1C[C@@H](C[C@H]2[C@H]1CC3=CN(C4=CC=CC2=C34)C)CNC(=O)OCC5=CC=CC=C5,"InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1",WZHJKEUHNJHDLS-QTGUNEKASA-N,C25H29N3O2,403.5,403.2259772,3.8,46.5,607,0,1,3,5,30,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
METHAZOLE,020354-26-1,4690,"2-(3,4-dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione",CN1C(=O)N(OC1=O)C2=CC(=C(C=C2)Cl)Cl,"InChI=1S/C9H6Cl2N2O3/c1-12-8(14)13(16-9(12)15)5-2-3-6(10)7(11)4-5/h2-4H,1H3",LRUUNMYPIBZBQH-UHFFFAOYSA-N,C9H6Cl2N2O3,261.06,259.9755474,2.7,49.9,326,0,0,3,1,16,,Decomposes before boiling,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Solanid-5-ene, 3-beta-((O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-gluco",020562-02-1,9549171,"(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol",C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",ZGVSETXHNHBTRK-UDJLNJFBSA-N,C45H73NO15,868.1,867.4980206,1.8,241,1590,0,9,16,8,61,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-IMIDAZOLIDINONE, 5,5-DIPHENYL-2-THIOXO-",021083-47-6,854150,"5,5-diphenyl-2-sulfanylideneimidazolidin-4-one",C1=CC=C(C=C1)C2(C(=O)NC(=S)N2)C3=CC=CC=C3,"InChI=1S/C15H12N2OS/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)",AMDPNECWKZZEBQ-UHFFFAOYSA-N,C15H12N2OS,268.3,268.0670342,3.1,73.2,352,0,2,2,2,19,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 1-(hexahydrocyclopenta(c)pyrrol-2(1H)-yl)-3-(p-tolylsulfonyl)-",021187-98-4,3475,"1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-methylphenyl)sulfonylurea",CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2,"InChI=1S/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19)",BOVGTQGAOIONJV-UHFFFAOYSA-N,C15H21N3O3S,323.4,323.1303627,1.5,86.9,497,0,2,4,3,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2-Oxazolepropionic acid, 4,5-diphenyl-",021256-18-8,4614,"3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid",C1=CC=C(C=C1)C2=C(OC(=N2)CCC(=O)O)C3=CC=CC=C3,"InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)",OFPXSFXSNFPTHF-UHFFFAOYSA-N,C18H15NO3,293.3,293.1051933,4.2,63.3,361,0,1,4,5,22,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"3,8A-ETHANO-8AH-1-BENZOPYRAN-2(3H)-ONE, HEXAHYDRO-3,5,5-TRIMETHYL-",021280-29-5,89479,"5,5,8-trimethyl-10-oxatricyclo[6.2.2.01,6]dodecan-9-one",CC1(CCCC23C1CC(CC2)(C(=O)O3)C)C,"InChI=1S/C14H22O2/c1-12(2)5-4-6-14-8-7-13(3,9-10(12)14)11(15)16-14/h10H,4-9H2,1-3H3",TUVXRDNMAFEUBI-UHFFFAOYSA-N,C14H22O2,222.32,222.1619799,3.4,26.3,347,0,0,2,0,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5H-2,3-Benzodiazepine, 1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-",022345-47-7,5502,"1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine",CCC1C(=NN=C(C2=CC(=C(C=C12)OC)OC)C3=CC(=C(C=C3)OC)OC)C,"InChI=1S/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3",RUJBDQSFYCKFAA-UHFFFAOYSA-N,C22H26N2O4,382.5,382.1892573,3.2,61.6,579,0,0,6,6,28,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-1,2,4-TRIAZOLIUM, 5-[[4-(DIETHYLAMINO)PHENYL]AZO]-1,4-DIMETHYL-,METHYL SULF",023532-28-7,161422,"4-[(2,4-dimethyl-3H-1,2,4-triazol-3-yl)diazenyl]-N,N-diethylaniline;methyl hydrogen sulfate",CCN(CC)C1=CC=C(C=C1)N=NC2N(C=NN2C)C.COS(=O)(=O)O,"InChI=1S/C14H22N6.CH4O4S/c1-5-20(6-2)13-9-7-12(8-10-13)16-17-14-18(3)11-15-19(14)4;1-5-6(2,3)4/h7-11,14H,5-6H2,1-4H3;1H3,(H,2,3,4)",MIQCPUZBYVPWIJ-UHFFFAOYSA-N,C15H26N6O4S,386.5,386.1736245,,119,448,0,1,9,6,26,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"5H-CYCLOPENTAPYRAZINE, 6,7-DIHYDRO-5-METHYL-",023747-48-0,32065,"5-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazine",CC1CCC2=NC=CN=C12,"InChI=1S/C8H10N2/c1-6-2-3-7-8(6)10-5-4-9-7/h4-6H,2-3H2,1H3",YZEFQPIMXZVPKP-UHFFFAOYSA-N,C8H10N2,134.18,134.0843983,0.8,25.8,124,0,0,2,0,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANEDIONE, DIPHENYL-, DIOXIME",023873-81-6,135419028,"N-(2-hydroxyimino-1,2-diphenylethylidene)hydroxylamine",C1=CC=C(C=C1)C(=NO)C(=NO)C2=CC=CC=C2,"InChI=1S/C14H12N2O2/c17-15-13(11-7-3-1-4-8-11)14(16-18)12-9-5-2-6-10-12/h1-10,17-18H",JJZONEUCDUQVGR-UHFFFAOYSA-N,C14H12N2O2,240.26,240.0898776,3.4,65.2,282,0,2,4,3,18,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"INDENO[1,2-D]-1,3-DIOXIN, 4,4A,5,9B-TETRAHYDRO-2,4-DIMETHYL-",027606-09-3,119674,"2,4-dimethyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine",CC1C2CC3=CC=CC=C3C2OC(O1)C,"InChI=1S/C13H16O2/c1-8-12-7-10-5-3-4-6-11(10)13(12)15-9(2)14-8/h3-6,8-9,12-13H,7H2,1-2H3",SHWFPOIJJLMZKA-UHFFFAOYSA-N,C13H16O2,204.26,204.1150297,2.5,18.5,241,0,0,2,0,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5H-Dibenz(b,f)azepine-5-carboxamide, 10,11-dihydro-10-oxo-",028721-07-5,34312,5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide,C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N,"InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)",CTRLABGOLIVAIY-UHFFFAOYSA-N,C15H12N2O2,252.27,252.0898776,1.7,63.4,382,0,1,2,0,19,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-1,5-BENZODIOXEPIN-3(4H)-ONE, 7-METHYL-",028940-11-6,120101,"7-methyl-1,5-benzodioxepin-3-one",CC1=CC2=C(C=C1)OCC(=O)CO2,"InChI=1S/C10H10O3/c1-7-2-3-9-10(4-7)13-6-8(11)5-12-9/h2-4H,5-6H2,1H3",SWUIQEBPZIHZQS-UHFFFAOYSA-N,C10H10O3,178.18,178.0629942,1.9,35.5,202,0,0,3,0,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-PYRAZOLIUM, 1,5-DIMETHYL-3-[(2-METHYL-1H-INDOL-3-YL)AZO]-2-PHENYL-, METHYL",029508-48-3,161636,"(1,5-dimethyl-2-phenyl-1,5-dihydropyrazol-1-ium-3-yl)-(2-methyl-1H-indol-3-yl)diazene;methyl sulfate",CC1C=C(N([NH+]1C)C2=CC=CC=C2)N=NC3=C(NC4=CC=CC=C43)C.COS(=O)(=O)[O-],"InChI=1S/C20H21N5.CH4O4S/c1-14-13-19(25(24(14)3)16-9-5-4-6-10-16)22-23-20-15(2)21-18-12-8-7-11-17(18)20;1-5-6(2,3)4/h4-14,21H,1-3H3;1H3,(H,2,3,4)",WQWAAPRPYUZWRD-UHFFFAOYSA-N,C21H25N5O4S,443.5,443.1627255,,123,615,0,2,7,3,31,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridazinium, 4-amino-6-methoxy-1-phenyl-, methyl sulfate",030578-37-1,71926,6-methoxy-1-phenylpyridazin-1-ium-4-amine;methyl sulfate,COC1=[N+](N=CC(=C1)N)C2=CC=CC=C2.COS(=O)(=O)[O-],"InChI=1S/C11H11N3O.CH4O4S/c1-15-11-7-9(12)8-13-14(11)10-5-3-2-4-6-10;1-5-6(2,3)4/h2-8,12H,1H3;1H3,(H,2,3,4)",ZEASXVYVFFXULL-UHFFFAOYSA-N,C12H15N3O5S,313.33,313.0732418,,127,285,0,1,7,2,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Indandione, 2-(3-pyridylmethylene)-",031083-55-3,207893,"2-(pyridin-3-ylmethylidene)indene-1,3-dione",C1=CC=C2C(=C1)C(=O)C(=CC3=CN=CC=C3)C2=O,InChI=1S/C15H9NO2/c17-14-11-5-1-2-6-12(11)15(18)13(14)8-10-4-3-7-16-9-10/h1-9H,OMHZFEWYVFWVLI-UHFFFAOYSA-N,C15H9NO2,235.24,235.0633285,2.4,47,373,0,0,3,1,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-(acetyloxy)-5-(2-(dimethylamino)et",033286-22-5,62920,"[(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride",CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl,"InChI=1S/C22H26N2O4S.ClH/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;/h5-12,20-21H,13-14H2,1-4H3;1H/t20-,21+;/m1./s1",HDRXZJPWHTXQRI-BHDTVMLSSA-N,C22H27ClN2O4S,451,450.1380062,,84.4,565,0,1,6,7,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"PYRIDINE, 4-(PHENYLTHIO)-",033399-48-3,99184,4-phenylsulfanylpyridine,C1=CC=C(C=C1)SC2=CC=NC=C2,InChI=1S/C11H9NS/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-9H,SIXGMZJXZNKUIN-UHFFFAOYSA-N,C11H9NS,187.26,187.0455705,2.9,38.2,137,0,0,2,2,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
QUAZEPAM,036735-22-5,4999,"7-chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepine-2-thione",C1C(=S)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F,"InChI=1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2",IKMPWMZBZSAONZ-UHFFFAOYSA-N,C17H11ClF4N2S,386.8,386.0267599,4,47.7,539,0,0,6,2,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3(2H)-Pyridazinone, 4-ethoxy-2-methyl-5-morpholino-",038957-41-4,3221,4-ethoxy-2-methyl-5-morpholin-4-ylpyridazin-3-one,CCOC1=C(C=NN(C1=O)C)N2CCOCC2,"InChI=1S/C11H17N3O3/c1-3-17-10-9(8-12-13(2)11(10)15)14-4-6-16-7-5-14/h8H,3-7H2,1-2H3",URJQOOISAKEBKW-UHFFFAOYSA-N,C11H17N3O3,239.27,239.1269914,0,54.4,359,0,0,5,3,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-PYRIDINECARBOXAMIDE, N-(2,6-DIMETHYLPHENYL)-",039627-98-0,3084749,"N-(2,6-dimethylphenyl)pyridine-2-carboxamide",CC1=C(C(=CC=C1)C)NC(=O)C2=CC=CC=N2,"InChI=1S/C14H14N2O/c1-10-6-5-7-11(2)13(10)16-14(17)12-8-3-4-9-15-12/h3-9H,1-2H3,(H,16,17)",SHZDEASIMRREIQ-UHFFFAOYSA-N,C14H14N2O,226.27,226.1106131,2.7,42,257,0,1,2,2,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NAPHTHO[1,2-D]THIAZOL-2-AMINE",040172-65-4,94880,"benzo[e][1,3]benzothiazol-2-amine",C1=CC=C2C(=C1)C=CC3=C2N=C(S3)N,"InChI=1S/C11H8N2S/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-6H,(H2,12,13)",FECQXVPRUCCUIL-UHFFFAOYSA-N,C11H8N2S,200.26,200.0408194,3.3,67.2,221,0,1,3,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3H-INDOLIUM, 2-[2-[(4-METHOXYPHENYL)AMINO]ETHENYL]-1,3,3-TRIMETHYL-, SULFATE (",041062-73-1,6441045,"bis(4-methoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline);sulfate",CC1(C(=[N+](C2=CC=CC=C12)C)/C=C/NC3=CC=C(C=C3)OC)C.CC1(C(=[N+](C2=CC=CC=C12)C)/C=C/NC3=CC=C(C=C3)OC)C.[O-]S(=O)(=O)[O-],"InChI=1S/2C20H22N2O.H2O4S/c2*1-20(2)17-7-5-6-8-18(17)22(3)19(20)13-14-21-15-9-11-16(23-4)12-10-15;1-5(2,3)4/h2*5-14H,1-4H3;(H2,1,2,3,4)",HPFBDKLLUYVSIH-UHFFFAOYSA-N,C40H46N4O6S,710.9,710.3138064,,137,534,0,2,8,8,51,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,4-METHANONAPHTHALEN-6(2H)-ONE, OCTAHYDRO-7-METHYL-",041724-19-0,162481,"5-methyltricyclo[6.2.1.02,7]undecan-4-one",CC1CC2C3CCC(C3)C2CC1=O,"InChI=1S/C12H18O/c1-7-4-10-8-2-3-9(5-8)11(10)6-12(7)13/h7-11H,2-6H2,1H3",VWFXPROOUAWFEE-UHFFFAOYSA-N,C12H18O,178.27,178.1357652,2.8,17.1,246,0,0,1,0,13,,,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,2,4-TRITHIANE, 3-METHYL-",043040-01-3,65290,"3-methyl-1,2,4-trithiane",CC1SCCSS1,"InChI=1S/C4H8S3/c1-4-5-2-3-6-7-4/h4H,2-3H2,1H3",UXPUEXDAOSQIQS-UHFFFAOYSA-N,C4H8S3,152.3,151.9788138,1.9,75.9,54,0,0,3,0,7,,226.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(13)Cytochalasa-13,17,21-triene-1,20,23-trione, 6,7-epoxy-19-hydroxy-10-(1H-in",050335-03-0,6438437,"(1R,3E,6R,7E,9S,11E,13R,14S,16R,17S,18R,19S)-6-hydroxy-19-(1H-indol-3-ylmethyl)-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-3,7,11-triene-2,5,21-trione",C[C@H]\1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@@]2(C(=O)/C=C/C(=O)[C@@H](/C(=C1)/C)O)C(=O)N[C@H]4CC5=CNC6=CC=CC=C65)C)C,"InChI=1S/C32H36N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-14,16-17,19,22,24,27-29,33,37H,8,15H2,1-4H3,(H,34,38)/b10-7+,13-12+,18-14+/t17-,19-,22-,24-,27-,28+,29-,31+,32+/m0/s1",OUMWCYMRLMEZJH-VOXRAUTJSA-N,C32H36N2O5,528.6,528.2624223,3.7,112,1140,0,3,5,2,39,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrazolo(1,5-a)pyridine, 3-isobutyryl-2-isopropyl-",050847-11-5,3671,"2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one",CC(C)C1=NN2C=CC=CC2=C1C(=O)C(C)C,"InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3",ZJVFLBOZORBYFE-UHFFFAOYSA-N,C14H18N2O,230.31,230.1419132,3,34.4,288,0,0,2,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NABILONE,051022-71-0,5284592,"(6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one",CCCCCCC(C)(C)C1=CC(=C2[C@@H]3CC(=O)CC[C@H]3C(OC2=C1)(C)C)O,"InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19-/m1/s1",GECBBEABIDMGGL-RTBURBONSA-N,C24H36O3,372.5,372.266445,6.4,46.5,524,0,1,3,6,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-METHANONAPHTHALEN-5(1H)-ONE, 4,4A,6,7,8,8A-HEXAHYDRO-",051519-65-4,103487,"tricyclo[6.2.1.02,7]undec-9-en-3-one",C1CC2C3CC(C2C(=O)C1)C=C3,"InChI=1S/C11H14O/c12-10-3-1-2-9-7-4-5-8(6-7)11(9)10/h4-5,7-9,11H,1-3,6H2",YINCMLNASBORJF-UHFFFAOYSA-N,C11H14O,162.23,162.1044651,1.9,17.1,254,0,0,1,0,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2(1H)-Quinolinone, 5-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-3,4-dihyd",051781-21-6,40127,"5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride",CC(C)(C)NCC(COC1=CC=CC2=C1CCC(=O)N2)O.Cl,"InChI=1S/C16H24N2O3.ClH/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13;/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20);1H",FYBXRCFPOTXTJF-UHFFFAOYSA-N,C16H25ClN2O3,328.83,328.1553704,,70.6,354,0,4,4,6,22,,,0,0,0,1,0,1,0,1,0,0,0,0,0,1,0,0,0,0,0,0
"DIMETHIPIN [2,3,-DIHYDRO-5,6-DIMETHYL-1,4-DITHIIN-1,1,4,4-TETRAOXIDE]",055290-64-7,41385,"5,6-dimethyl-2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide",CC1=C(S(=O)(=O)CCS1(=O)=O)C,"InChI=1S/C6H10O4S2/c1-5-6(2)12(9,10)4-3-11(5,7)8/h3-4H2,1-2H3",PHVNLLCAQHGNKU-UHFFFAOYSA-N,C6H10O4S2,210.3,210.0020511,-0.5,85,371,0,0,4,0,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
C.I. PIGMENT RED 108,058339-34-7,168010047,"1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-ol",CC(C)(C)C(C=CC1=CC2=C(C=C1)OCO2)O.CC(C)(C)C(C=CC1=CC2=C(C=C1)OCO2)O.CC(C)(C)C(C=CC1=CC2=C(C=C1)OCO2)O.CC(C)(C)C(C=CC1=CC2=C(C=C1)OCO2)O.CC(C)(C)C(C=CC1=CC2=C(C=C1)OCO2)O.CC(C)(C)C(C=CC1=CC2=C(C=C1)OCO2)O.CC(C)(C)C(C=CC1=CC2=C(C=C1)OCO2)O,"InChI=1S/7C14H18O3/c7*1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h7*4-8,13,15H,9H2,1-3H3",QCGZKIDYDNFERL-UHFFFAOYSA-N,C98H126O21,1640,1639.882516,,271,280,0,7,21,21,119,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"2-Benzimidazolecarbamic acid, 5-(alpha-hydroxybenzyl)-, methyl ester",060254-95-7,43242,methyl N-[6-[hydroxy(phenyl)methyl]-1H-benzimidazol-2-yl]carbamate,COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(C3=CC=CC=C3)O,"InChI=1S/C16H15N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9,14,20H,1H3,(H2,17,18,19,21)",IIQKUGXEGMZCLE-UHFFFAOYSA-N,C16H15N3O3,297.31,297.1113414,2.3,87.2,387,0,3,4,4,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(diphenylmethyl)-1-piperazinyl)prop",060607-34-3,4615,3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one,C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C(C4=CC=CC=C4)C5=CC=CC=C5,"InChI=1S/C27H30N4O/c32-27-28-24-14-7-8-15-25(24)31(27)17-9-16-29-18-20-30(21-19-29)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,26H,9,16-21H2,(H,28,32)",BAINIUMDFURPJM-UHFFFAOYSA-N,C27H30N4O,426.6,426.2419616,4.1,38.8,574,0,1,3,7,32,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Imidazole, 1-(alpha-(4-biphenylyl)benzyl)-",060628-96-8,2378,1-[phenyl-(4-phenylphenyl)methyl]imidazole,C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=CC=C3)N4C=CN=C4,"InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H",OCAPBUJLXMYKEJ-UHFFFAOYSA-N,C22H18N2,310.4,310.1469986,4.8,17.8,362,0,0,1,4,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Imidazole, 1-(2-(((4-chlorophenyl)methyl)thio)-2-(2,4-dichlorophenyl)ethyl)",061318-91-0,65495,"1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid",C1=CC(=CC=C1CSC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-],"InChI=1S/C18H15Cl3N2S.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)",CRKGMGQUHDNAPB-UHFFFAOYSA-N,C18H16Cl3N3O3S,460.8,458.997796,,109,404,0,1,5,6,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-[[4-(PHENYLMETHOXY)PHENYL]SULFONYL]PHENOL,063134-33-8,113063,4-(4-phenylmethoxyphenyl)sulfonylphenol,C1=CC=C(C=C1)COC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)O,"InChI=1S/C19H16O4S/c20-16-6-10-18(11-7-16)24(21,22)19-12-8-17(9-13-19)23-14-15-4-2-1-3-5-15/h1-13,20H,14H2",UWPJWCBDMZHMTN-UHFFFAOYSA-N,C19H16O4S,340.4,340.0769302,4.2,72,462,0,1,4,5,24,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"XANTHYLIUM, 9-[2-(ETHOXYCARBONYL)PHENYL]-3,6-BIS(ETHYLAMINO)-2,7-DIMETHYL-, SA",065138-66-1,11979403,"tris([9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium);5-oxo-1-(4-sulfonatophenyl)-4-[(4-sulfonatophenyl)diazenyl]-4H-pyrazole-3-carboxylate",CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC.CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC.CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC.C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-],"InChI=1S/3C28H30N2O3.C16H12N4O9S2/c3*1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29/h3*9-16,29H,6-8H2,1-5H3;1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29)",BMRGJXCZTIOHHC-UHFFFAOYSA-N,C100H102N10O18S2,1796.1,1795.684854,,413,1770,0,6,24,24,130,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOTHIAZOLIUM, 2-[[4-[ETHYL(2-HYDROXYETHYL)AMINO]PHENYL]AZO]-6-METHOXY-3-MET",066693-25-2,162206,"bis(2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]ethanol);sulfate",CCN(CCO)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C.CCN(CCO)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C.[O-]S(=O)(=O)[O-],"InChI=1S/2C19H23N4O2S.H2O4S/c2*1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-10-9-16(25-3)13-18(17)26-19;1-5(2,3)4/h2*5-10,13,24H,4,11-12H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2",KCNIDFGVWKPDPF-UHFFFAOYSA-L,C38H46N8O8S3,839,838.260074,,268,521,0,2,16,14,57,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-Benzisoxazole-3-methanesulfonamide",068291-97-4,5734,"1,2-benzoxazol-3-ylmethanesulfonamide",C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N,"InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)",UBQNRHZMVUUOMG-UHFFFAOYSA-N,C8H8N2O3S,212.23,212.0255633,0.2,94.6,298,0,1,5,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1H-INDAZOLIUM, 3-[[4-(DIETHYLAMINO)PHENYL]AZO]-1,2-DIMETHYL-, (T-4)-TETRACHLOR",073507-57-0,175486,"zinc;bis(4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]-N,N-diethylaniline);tetrachloride",CCN(CC)C1=CC=C(C=C1)N=NC2=[N+](N(C3=CC=CC=C32)C)C.CCN(CC)C1=CC=C(C=C1)N=NC2=[N+](N(C3=CC=CC=C32)C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2],"InChI=1S/2C19H24N5.4ClH.Zn/c2*1-5-24(6-2)16-13-11-15(12-14-16)20-21-19-17-9-7-8-10-18(17)22(3)23(19)4;;;;;/h2*7-14H,5-6H2,1-4H3;4*1H;/q2*+1;;;;;+2/p-4",ORKQGLSYSKSDQR-UHFFFAOYSA-J,C38H48Cl4N10Zn,852,850.207944,,73.5,414,0,0,10,10,53,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Dibenzo(b,f)thiepin-2-acetic acid, 10,11-dihydro-alpha-methyl-10-oxo-",074711-43-6,5720,2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoic acid,CC(C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2)C(=O)O,"InChI=1S/C17H14O3S/c1-10(17(19)20)11-6-7-15-12(8-11)9-14(18)13-4-2-3-5-16(13)21-15/h2-8,10H,9H2,1H3,(H,19,20)",MUXFZBHBYYYLTH-UHFFFAOYSA-N,C17H14O3S,298.4,298.0663655,3.5,79.7,422,0,1,4,2,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BICYCLO[3.2.1]OCTAN-8-ONE, 1,5-DIMETHYL-, OXIME",075147-23-8,166450,"N-(1,5-dimethyl-8-bicyclo[3.2.1]octanylidene)hydroxylamine",CC12CCCC(C1=NO)(CC2)C,"InChI=1S/C10H17NO/c1-9-4-3-5-10(2,7-6-9)8(9)11-12/h12H,3-7H2,1-2H3",RADAAKRXEPVXBU-UHFFFAOYSA-N,C10H17NO,167.25,167.1310142,2.5,32.6,216,0,1,2,0,12,,250.00 to 251.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, 5-chloro-2-methoxy-4-(methylamino)-N-(2-methyl-1-(phenylmethyl)-3-p",075272-39-8,156333,"N-[(2R,3R)-1-benzyl-2-methylpyrrolidin-3-yl]-5-chloro-2-methoxy-4-(methylamino)benzamide",C[C@@H]1[C@@H](CCN1CC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3OC)NC)Cl,"InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/t14-,18-/m1/s1",KRVOJOCLBAAKSJ-RDTXWAMCSA-N,C21H26ClN3O2,387.9,387.1713548,3.9,53.6,486,0,2,4,6,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Pyrrolidineacetamide, N-(2,6-dimethylphenyl)-2-oxo-",077191-36-7,71157,"N-(2,6-dimethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide",CC1=C(C(=CC=C1)C)NC(=O)CN2CCCC2=O,"InChI=1S/C14H18N2O2/c1-10-5-3-6-11(2)14(10)15-12(17)9-16-8-4-7-13(16)18/h3,5-6H,4,7-9H2,1-2H3,(H,15,17)",NGHTXZCKLWZPGK-UHFFFAOYSA-N,C14H18N2O2,246.3,246.1368278,1.4,49.4,320,0,1,2,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3H-1,2,4-Triazol-3-one, 4-(4-(4-(4-((2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazo",084625-61-6,55283,"2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one",CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5CO[C@](O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl,"InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1",VHVPQPYKVGDNFY-ZPGVKDDISA-N,C35H38Cl2N8O4,705.6,704.2393071,5.7,101,1120,0,0,9,11,49,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BICYCLO[3.2.1]OCTAN-8-OL, 8-ETHYL-1,5-DIMETHYL-",084681-92-5,163418,"8-ethyl-1,5-dimethylbicyclo[3.2.1]octan-8-ol",CCC1(C2(CCCC1(CC2)C)C)O,"InChI=1S/C12H22O/c1-4-12(13)10(2)6-5-7-11(12,3)9-8-10/h13H,4-9H2,1-3H3",AKVDDUFUTRWZKY-UHFFFAOYSA-N,C12H22O,182.3,182.1670653,3.1,20.2,205,0,1,1,1,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-PYRIDINECARBONITRILE, 5-[3-(5-CYANO-1-ETHYL-1,6-DIHYDRO-2-HYDROXY-4-METHYL-6",088969-31-7,174717,"5-[3-(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3-pyridinylidene)prop-1-enyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;N,N-diethylethanamine",CCN1C(=C(C(=C(C1=O)C#N)C)C=CC=C2C(=C(C(=O)N(C2=O)CC)C#N)C)O.CCN(CC)CC,"InChI=1S/C21H20N4O4.C6H15N/c1-5-24-18(26)14(12(3)16(10-22)20(24)28)8-7-9-15-13(4)17(11-23)21(29)25(6-2)19(15)27;1-4-7(5-2)6-3/h7-9,26H,5-6H2,1-4H3;4-6H2,1-3H3",DUMMGUQUIPPFSU-UHFFFAOYSA-N,C27H35N5O4,493.6,493.2689046,,129,1090,0,1,7,7,36,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(1H)-Pyrimidinone, 4,6-dimethyl-, (1-(2-methylphenyl)ethylidene)hydrazone, (Z",089269-64-7,9013425,"4,6-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]pyrimidin-2-amine",CC1=CC=CC=C1/C(=N\NC2=NC(=CC(=N2)C)C)/C,"InChI=1S/C15H18N4/c1-10-7-5-6-8-14(10)13(4)18-19-15-16-11(2)9-12(3)17-15/h5-9H,1-4H3,(H,16,17,19)/b18-13-",GOWLARCWZRESHU-AQTBWJFISA-N,C15H18N4,254.33,254.1531466,3.5,50.2,305,0,1,4,3,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"BENZENEMETHANAMINIUM, N-[2-[(2,6-DIMETHYLPHENYL)AMINO]-2-OXOETHYL]-N,N-DIETHYL",090823-38-4,64772,"benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium;1,1-dioxo-1,2-benzothiazol-3-olate",CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C.C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-],"InChI=1S/C21H28N2O.C7H5NO3S/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h7-14H,5-6,15-16H2,1-4H3;1-4H,(H,8,9)",AOVWCKBXCSVODH-UHFFFAOYSA-N,C28H33N3O4S,507.6,507.2191777,,107,689,0,1,5,7,36,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
AMBIEN (ZOLPIDEM L-(+)-HEMITARTRATE),099294-93-6,441338,"(2R,3R)-2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide)",CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C.CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/2C19H21N3O.C4H6O6/c2*1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19;5-1(3(7)8)2(6)4(9)10/h2*5-10,12H,11H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1",VXRDAMSNTXUHFX-CEAXSRTFSA-N,C42H48N6O8,764.9,764.3533625,,190,551,0,4,10,9,56,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butanedioic acid, compd. with 2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imida",100678-32-8,57952,"butanedioic acid;2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole",C1CN=C(N1)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4.C(CC(=O)O)C(=O)O,"InChI=1S/C18H18N2.C4H6O4/c1-3-7-14(8-4-1)18(15-9-5-2-6-10-15)13-16(18)17-19-11-12-20-17;5-3(6)1-2-4(7)8/h1-10,16H,11-13H2,(H,19,20);1-2H2,(H,5,6)(H,7,8)",XFUIOIWYMHEPIE-UHFFFAOYSA-N,C22H24N2O4,380.4,380.1736073,,99,449,0,3,5,6,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Oxapregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-chloro-",105149-00-6,114992,"[(1R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-5-chloro-9a,11a-dimethyl-7-oxo-2,3,3a,3b,9,9b,10,11-octahydroindeno[4,5-h]isochromen-1-yl] acetate",CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)OC[C@]34C)Cl)C)OC(=O)C,"InChI=1S/C22H27ClO5/c1-12(24)22(28-13(2)25)8-6-16-14-9-18(23)17-10-19(26)27-11-20(17,3)15(14)5-7-21(16,22)4/h9-10,14-16H,5-8,11H2,1-4H3/t14-,15+,16+,20-,21+,22+/m1/s1",KKTIOMQDFOYCEN-OFUYBIASSA-N,C22H27ClO5,406.9,406.1547017,3.4,69.7,829,0,0,5,3,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Acetic acid, methyl-, 2-(2-((3-(1H-benzimidazol-2-yl)propyl)methylamino)ethyl)",116666-63-8,60662,"[(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] 2-methoxyacetate;dihydrochloride",CC(C)[C@H]1C2=C(CC[C@@]1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)COC)C=C(C=C2)F.Cl.Cl,"InChI=1S/C29H38FN3O3.2ClH/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26;;/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32);2*1H/t28-,29-;;/m0../s1",MTJLQTFHJIHXIX-GDUXWEAWSA-N,C29H40Cl2FN3O3,568.5,567.2430757,,67.5,709,0,3,6,12,38,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-ANTHRACENESULFONIC ACID, 1-AMINO-4-[[2-[[(5-CHLORO-6-FLUORO-4-PYRIMIDINYL)AM",149530-93-8,44151046,"disodium;1-amino-4-[2-[[(5-chloro-6-fluoropyrimidin-4-yl)amino]methyl]-4-methyl-6-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate",CC1=CC(=C(C(=C1)S(=O)(=O)[O-])NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])CNC5=C(C(=NC=N5)F)Cl.[Na+].[Na+],"InChI=1S/C26H19ClFN5O8S2.2Na/c1-11-6-12(9-30-26-20(27)25(28)31-10-32-26)22(17(7-11)43(39,40)41)33-15-8-16(42(36,37)38)21(29)19-18(15)23(34)13-4-2-3-5-14(13)24(19)35;;/h2-8,10,33H,9,29H2,1H3,(H,30,31,32)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2",HYRPHYNOGYXYQB-UHFFFAOYSA-L,C26H17ClFN5Na2O8S2,692,690.9986493,,241,1260,0,3,14,5,45,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
AZURE II,037247-10-2,16218618,[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;dimethyl-[7-(methylamino)phenothiazin-3-ylidene]azanium;dichloride,CNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-].[Cl-],"InChI=1S/C16H18N3S.C15H15N3S.2ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;;/h5-10H,1-4H3;4-9H,1-3H3;2*1H/q+1;;;/p-1",YOWZJZJLXUQHGF-UHFFFAOYSA-M,C31H34Cl2N6S2,625.7,624.1663428,,96.6,980,0,1,8,2,41,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SILIDIANIN,029782-68-1,11982272,"(1R,3R,6R,7R,10R)-3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-8-[(2R,3R)-3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one",COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@]4([C@H]3C(=C[C@H]2C4=O)[C@@H]5[C@H](C(=O)C6=C(C=C(C=C6O5)O)O)O)O)O,"InChI=1S/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-7,11,13,18,20,22-23,26-28,30,32H,8H2,1H3/t11-,13-,18+,20+,22+,23-,25-/m1/s1",CYGIJEJDYJOUAN-JSGXPVSSSA-N,C25H22O10,482.4,482.1212969,0.8,163,935,0,5,10,3,35,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"NITHIOZINE [TETRAHYDRO-2-(NITROMETHYLENE)-2H-1,3-THIAZINE]",058842-20-9,3033155,"(2E)-2-(nitromethylidene)-1,3-thiazinane",C1CN/C(=C\[N+](=O)[O-])/SC1,"InChI=1S/C5H8N2O2S/c8-7(9)4-5-6-2-1-3-10-5/h4,6H,1-3H2/b5-4+",LZTIMERBDGGAJD-SNAWJCMRSA-N,C5H8N2O2S,160.2,160.0306487,1.2,83.2,164,0,1,4,0,10,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-Methylenebis(aniline), compound with sodium chloride",021646-20-8,23692754,sodium;tris(4-[(4-aminophenyl)methyl]aniline);chloride,C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.[Na+].[Cl-],"InChI=1S/3C13H14N2.ClH.Na/c3*14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;;/h3*1-8H,9,14-15H2;1H;/q;;;;+1/p-1",BMMAPAIDGHWULF-UHFFFAOYSA-M,C39H42ClN6Na,653.2,652.3057173,,156,159,0,6,7,6,47,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
PERAMPANEL,380917-97-5,9924495,2-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)benzonitrile,C1=CC=C(C=C1)N2C=C(C=C(C2=O)C3=CC=CC=C3C#N)C4=CC=CC=N4,"InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H",PRMWGUBFXWROHD-UHFFFAOYSA-N,C23H15N3O,349.4,349.1215121,3.4,57,664,0,0,3,3,27,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
N-(1-AMINO-3-METHYL-1-OXOBUTAN-2-YL)-1-(CYCLOHEXYLMETHYL)-1H-INDAZOLE-3-CARBOXAMIDE,1185887-21-1,44206133,N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide,CC(C)[C@@H](C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CC3CCCCC3,"InChI=1S/C20H28N4O2/c1-13(2)17(19(21)25)22-20(26)18-15-10-6-7-11-16(15)24(23-18)12-14-8-4-3-5-9-14/h6-7,10-11,13-14,17H,3-5,8-9,12H2,1-2H3,(H2,21,25)(H,22,26)/t17-/m0/s1",KJNZIEGLNLCWTQ-KRWDZBQOSA-N,C20H28N4O2,356.5,356.2212262,3.8,90,504,0,2,3,6,26,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
N-(1-PHENETHYLPIPERIDIN-4-YL)-N-PHENYLFURAN-2-CARBOXAMIDE,101345-66-8,13653606,N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide,C1CN(CCC1N(C2=CC=CC=C2)C(=O)C3=CC=CO3)CCC4=CC=CC=C4,"InChI=1S/C24H26N2O2/c27-24(23-12-7-19-28-23)26(21-10-5-2-6-11-21)22-14-17-25(18-15-22)16-13-20-8-3-1-4-9-20/h1-12,19,22H,13-18H2",FZJVHWISUGFFQV-UHFFFAOYSA-N,C24H26N2O2,374.5,374.1994281,4.6,36.7,477,0,0,3,6,28,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"4-PYRIMIDINECARBOXYLIC ACID, 1,2,3,6-TETRAHYDRO-2,6-DIOXO-, ZINC SALT (2:1)",068399-76-8,108934,"zinc bis(2,4-dioxo-1H-pyrimidine-6-carboxylate)",C1=C(NC(=O)NC1=O)C(=O)[O-].C1=C(NC(=O)NC1=O)C(=O)[O-].[Zn+2],"InChI=1S/2C5H4N2O4.Zn/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2",YNMDOZLVAPMCBD-UHFFFAOYSA-L,C10H6N4O8Zn,375.6,373.947705,,197,262,0,4,8,0,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
3-(2-FUROYL)QUINOLINE-2-CARBOXALDEHYDE,,124404,3-(furan-2-carbonyl)quinoline-2-carbaldehyde,C1=CC=C2C(=C1)C=C(C(=N2)C=O)C(=O)C3=CC=CO3,InChI=1S/C15H9NO3/c17-9-13-11(15(18)14-6-3-7-19-14)8-10-4-1-2-5-12(10)16-13/h1-9H,PNCHURHVMDRFTR-UHFFFAOYSA-N,C15H9NO3,251.24,251.0582431,2.7,60.2,357,0,0,4,3,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-CYCLOHEXYL-2-PYRROLIDINONE,006837-24-7,81278,1-cyclohexylpyrrolidin-2-one,C1CCC(CC1)N2CCCC2=O,"InChI=1S/C10H17NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h9H,1-8H2",PZYDAVFRVJXFHS-UHFFFAOYSA-N,C10H17NO,167.25,167.1310142,1.6,20.3,173,0,0,1,1,12,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,2'-THIODIACETIC ACID ANHYDRIDE",003261-87-8,137871,"1,4-oxathiane-2,6-dione",C1C(=O)OC(=O)CS1,InChI=1S/C4H4O3S/c5-3-1-8-2-4(6)7-3/h1-2H2,RIIUAPMWDSRBSH-UHFFFAOYSA-N,C4H4O3S,132.14,131.9881152,0.4,68.7,117,0,0,4,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,7-METHANO-5H-INDEN-5-ONE, OCTAHYDRO-",013380-94-4,96509,"tricyclo[5.2.1.02,6]decan-8-one",C1CC2C(C1)C3CC2CC3=O,"InChI=1S/C10H14O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-9H,1-5H2",OMIDXVJKZCPKEI-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,2,17.1,209,0,0,1,0,11,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"HEXAMETHYLENETETRAMINE, COMPD. WITH 1-CHLORO-2,3-EPOXYPROPANE",020368-76-7,167910,"2-(chloromethyl)oxirane;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane",C1C(O1)CCl.C1N2CN3CN1CN(C2)C3,"InChI=1S/C6H12N4.C3H5ClO/c1-7-2-9-4-8(1)5-10(3-7)6-9;4-1-3-2-5-3/h1-6H2;3H,1-2H2",UCRVARONSIRYNE-UHFFFAOYSA-N,C9H17ClN4O,232.71,232.1090889,,25.5,123,0,0,5,1,15,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1-NAPHTHALENESULFONIC ACID, 6-DIAZO-5,6-DIHYDRO-5-OXO-, 4-BENZOYL-1,3-PHENYLEN",031001-73-7,169229,5-[4-benzoyl-3-(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxyphenoxy]sulfonyl-2-diazonionaphthalen-1-olate,C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OS(=O)(=O)C3=CC=CC4=C3C=CC(=C4[O-])[N+]#N)OS(=O)(=O)C5=CC=CC6=C5C=CC(=C6[O-])[N+]#N,"InChI=1S/C33H18N4O9S2/c34-36-26-16-14-21-23(32(26)39)8-4-10-29(21)47(41,42)45-20-12-13-25(31(38)19-6-2-1-3-7-19)28(18-20)46-48(43,44)30-11-5-9-24-22(30)15-17-27(37-35)33(24)40/h1-18H",RVUFIAZZLHJNJS-UHFFFAOYSA-N,C33H18N4O9S2,678.7,678.0515205,9.9,223,1490,0,0,11,8,48,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"3,5-DIETHYL-1,2-DIHYDRO-1-PHENYL-2-PROPYLPYRIDINE",034562-31-7,118703,"3,5-diethyl-1-phenyl-2-propyl-2H-pyridine",CCCC1C(=CC(=CN1C2=CC=CC=C2)CC)CC,"InChI=1S/C18H25N/c1-4-10-18-16(6-3)13-15(5-2)14-19(18)17-11-8-7-9-12-17/h7-9,11-14,18H,4-6,10H2,1-3H3",IAAASXBHFUJLHW-UHFFFAOYSA-N,C18H25N,255.4,255.1986998,4.8,3.2,334,0,0,1,5,19,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-16-alpha-methyl",002265-64-7,16752,"[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pyridine-4-carboxylate",C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C5=CC=NC=C5)O)C)O)F)C,"InChI=1S/C28H32FNO6/c1-16-12-21-20-5-4-18-13-19(31)6-9-25(18,2)27(20,29)22(32)14-26(21,3)28(16,35)23(33)15-36-24(34)17-7-10-30-11-8-17/h6-11,13,16,20-22,32,35H,4-5,12,14-15H2,1-3H3/t16-,20+,21+,22+,25+,26+,27+,28+/m1/s1",BQTXJHAJMDGOFI-NJLPOHDGSA-N,C28H32FNO6,497.6,497.2213659,3.4,114,1040,0,2,8,5,36,,,0,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
2-CHLORO-N-(4-CHLORO-3-(2-PYRIDINYL)PHENYL)-4-(METHYLSULFONYL)BENZAMIDE,879085-55-9,24776445,2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide,CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl,"InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)",BPQMGSKTAYIVFO-UHFFFAOYSA-N,C19H14Cl2N2O3S,421.3,420.0102189,3.8,84.5,625,0,1,4,4,27,,561.6°C,1,1,1,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,1
"2-AMINO-3-METHYLIMIDAZO(4,5-F)QUINOLINE",076180-96-6,53462,"3-methylimidazo[4,5-f]quinolin-2-amine",CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1N,"InChI=1S/C11H10N4/c1-15-9-5-4-8-7(3-2-6-13-8)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)",ARZWATDYIYAUTA-UHFFFAOYSA-N,C11H10N4,198.22,198.0905463,1.5,56.7,245,0,1,3,0,15,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,1,1
LD 688,051325-95-2,54556283,"2-[2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-6-methylpyran-4-ylidene]propanedinitrile",CC1=CC(=C(C#N)C#N)C=C(O1)C=CC2=CC3=C4C(=C2)CCCN4CCC3,"InChI=1S/C23H21N3O/c1-16-10-20(21(14-24)15-25)13-22(27-16)7-6-17-11-18-4-2-8-26-9-3-5-19(12-17)23(18)26/h6-7,10-13H,2-5,8-9H2,1H3",ZNJRONVKWRHYBF-UHFFFAOYSA-N,C23H21N3O,355.4,355.1684623,4.2,60.1,790,0,0,4,2,27,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,4-BIS(PHENYLETHYNYL)BENZENE",001849-27-0,624226,"1,4-bis(2-phenylethynyl)benzene",C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC=CC=C3,"InChI=1S/C22H14/c1-3-7-19(8-4-1)11-13-21-15-17-22(18-16-21)14-12-20-9-5-2-6-10-20/h1-10,15-18H",FPVSTPLZJLYNMB-UHFFFAOYSA-N,C22H14,278.3,278.1095504,6.8,0,407,0,0,0,4,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-METHYL-1-PHENYL-2-PHOSPHOLENE 1-OXIDE,000707-61-9,69722,"4-methyl-1-phenyl-2,3-dihydro-1lambda5-phosphole 1-oxide",CC1=CP(=O)(CC1)C2=CC=CC=C2,"InChI=1S/C11H13OP/c1-10-7-8-13(12,9-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3",YMKWWHFRGALXLE-UHFFFAOYSA-N,C11H13OP,192.19,192.070402,1.3,17.1,261,0,0,1,1,13,,,0,1,1,1,0,1,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethanone, 1-(9-azabicyclo(4.2.1)non-2-en-2-yl)-, (1R)-",064285-06-9,3034748,"1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone",CC(=O)C1=CCC[C@@H]2CC[C@H]1N2,"InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3/t8-,10-/m1/s1",SGNXVBOIDPPRJJ-PSASIEDQSA-N,C10H15NO,165.23,165.1153641,0.8,29.1,232,0,1,2,1,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
PYRETHRUM,008003-34-7,60202781,"cis-[(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate;cis-[(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate",CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)C/C=C\C=C.CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)/C=C(\C)/C(=O)OC)C/C=C\C=C,"InChI=1S/C22H28O5.C21H28O3/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6;1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3;7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-,13-11+;9-8-/t2*16-,18+,19+/m11/s1",VXSIXFKKSNGRRO-MXOVTSAMSA-N,C43H56O8,700.9,700.3975187,,113,1390,0,0,8,16,51,"180 to 190 °F (NIOSH, 2024)","BP: 170 °C (0.1 mm Hg), decomposes",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"N-[2-[(2,6-DIMETHYLPHENYL)AMINO]-2-OXOETHYL]-N,N-DIETHYLBENZENEMETHANAMINIUM BENZOATE",003734-33-6,19518,"benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium benzoate",CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C.C1=CC=C(C=C1)C(=O)[O-],"InChI=1S/C21H28N2O.C7H6O2/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4;8-7(9)6-4-2-1-3-5-6/h7-14H,5-6,15-16H2,1-4H3;1-5H,(H,8,9)",VWTINHYPRWEBQY-UHFFFAOYSA-N,C28H34N2O3,446.6,446.256943,,69.2,473,0,1,3,7,33,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"3,3'-METHYLENEBIS[5-METHYLOXAZOLIDINE]",066204-44-2,128328,"5-methyl-3-[(5-methyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine",CC1CN(CO1)CN2CC(OC2)C,"InChI=1S/C9H18N2O2/c1-8-3-10(6-12-8)5-11-4-9(2)13-7-11/h8-9H,3-7H2,1-2H3",BNKGKERDFRIJPU-UHFFFAOYSA-N,C9H18N2O2,186.25,186.1368278,0.7,24.9,159,0,0,4,2,13,,,0,1,1,1,0,1,1,1,0,0,1,0,0,0,0,0,1,1,1,0
Escin-,006805-41-0,6433489,"(2S,3S,4S,5R,6R)-6-[[(4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid;(2S,3S,4S,5R,6R)-6-[[(4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid",C/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CCC([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C2CC1(C)C)C)O)CO)OC(=O)C.C/C=C(/C)\C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CCC([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C2CC1(C)C)C)O)CO)OC(=O)C,"InChI=1S/2C55H86O24/c2*1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h2*10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10+;23-10-/t2*26?,27-,28-,29?,30?,31-,32?,33-,34-,35+,36+,37-,38-,39+,40+,41-,42+,43+,44+,47+,48+,49-,51+,52-,53-,54-,55+/m11/s1",YFESOSRPNPYODN-RSMWSHJLSA-N,C110H172O48,2262.5,2262.105162,,776,2300,0,26,48,32,158,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
DIGLYCIDYL ETHER,002238-07-5,16704,2-(oxiran-2-ylmethoxymethyl)oxirane,C1C(O1)COCC2CO2,"InChI=1S/C6H10O3/c1(5-3-8-5)7-2-6-4-9-6/h5-6H,1-4H2",GYZLOYUZLJXAJU-UHFFFAOYSA-N,C6H10O3,130.14,130.0629942,-0.5,34.3,92,0,0,3,4,9,"147.2 °F (EPA, 1998)","500 °F at 760 mmHg (EPA, 1998)",0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
THIOMETHOXAM,153719-23-4,5821911,"(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide",CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl,"InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+",NWWZPOKUUAIXIW-DHZHZOJOSA-N,C8H10ClN5O3S,291.72,291.0192881,1.5,115,352,0,0,6,2,18,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
1-(4-Nitrophenyl)-3-(3-pyridylmethyl)urea,053558-25-1,40813,1-(4-nitrophenyl)-3-(pyridin-3-ylmethyl)urea,C1=CC(=CN=C1)CNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C13H12N4O3/c18-13(15-9-10-2-1-7-14-8-10)16-11-3-5-12(6-4-11)17(19)20/h1-8H,9H2,(H2,15,16,18)",CLKZWXHKFXZIMA-UHFFFAOYSA-N,C13H12N4O3,272.26,272.0909403,1.2,99.8,337,0,2,4,3,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DICOUMAROL,000066-76-2,54676038,4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one,C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O,"InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2",DOBMPNYZJYQDGZ-UHFFFAOYSA-N,C19H12O6,336.3,336.0633881,2.6,93.1,605,0,2,6,2,25,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"1,4,7,10-TETRABENZYL-1,4,7,10-TETRAAZACYCLODODECANE",018084-64-5,428363,"1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane",C1CN(CCN(CCN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5,"InChI=1S/C36H44N4/c1-5-13-33(14-6-1)29-37-21-23-38(30-34-15-7-2-8-16-34)25-27-40(32-36-19-11-4-12-20-36)28-26-39(24-22-37)31-35-17-9-3-10-18-35/h1-20H,21-32H2",VXOJKUWHCFFUCO-UHFFFAOYSA-N,C36H44N4,532.8,532.3565974,6.1,13,517,0,0,4,8,40,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"BENZOFURAN, 4,5,6,7-TETRAHYDRO-3,6-DIMETHYL-",000494-90-6,329983,"3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran",CC1CCC2=C(C1)OC=C2C,"InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3",YGWKXXYGDYYFJU-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,3,13.1,144,0,0,1,0,11,,80.00 to 82.00 °C. @ 13.00 mm Hg,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
PROPANE SULTONE,001120-71-4,14264,"oxathiolane 2,2-dioxide",C1COS(=O)(=O)C1,InChI=1S/C3H6O3S/c4-7(5)3-1-2-6-7/h1-3H2,FSSPGSAQUIYDCN-UHFFFAOYSA-N,C3H6O3S,122.15,122.0037652,-0.2,51.8,140,0,0,3,0,7,"greater than 235 °F (NIOSH, 2024)",180 °C at 0.039 atm.,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(4-(1-METHYLETHYL)PHENYL)(4-METHYLPHENYL)-, TETRAKIS(2,3,4,5,6-PENTAFLUOROPHENYL)BORATE(1-) IODONIUM",178233-72-2,21967041,"(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide",[B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.CC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)C,"InChI=1S/C24BF20.C16H18I/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;1-12(2)14-6-10-16(11-7-14)17-15-8-4-13(3)5-9-15/h;4-12H,1-3H3/q-1;+1",MJDBKUFRQPPWGN-UHFFFAOYSA-N,C40H18BF20I,1016.3,1016.02269,,0,1020,0,0,21,7,62,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
METHYLENE DIMORPHOLINE,005625-90-1,21839,4-(morpholin-4-ylmethyl)morpholine,C1COCCN1CN2CCOCC2,InChI=1S/C9H18N2O2/c1-5-12-6-2-10(1)9-11-3-7-13-8-4-11/h1-9H2,MIFZZKZNMWTHJK-UHFFFAOYSA-N,C9H18N2O2,186.25,186.1368278,-0.3,24.9,127,0,0,4,2,13,,,0,1,1,1,0,1,0,1,0,0,1,0,0,0,0,0,1,1,1,0
"CLOMAZONE [2-[(2-CHLOROPHENYL)METHYL]-4,4-DIMETHYL-3-ISOXAZOLIDINONE",081777-89-1,54778,"2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one",CC1(CON(C1=O)CC2=CC=CC=C2Cl)C,"InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3",KIEDNEWSYUYDSN-UHFFFAOYSA-N,C12H14ClNO2,239.7,239.0713064,2.5,29.5,280,0,0,2,2,16,4 /emulsifiable concentrates/: 106-109 °F /(41.11-42.78 °C)/ (Closed cup),275 °C,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-imidazolidinyl)methyl ester",072963-72-5,123622,"(2,5-dioxo-3-prop-2-ynylimidazolidin-1-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate",CC(=CC1C(C1(C)C)C(=O)OCN2C(=O)CN(C2=O)CC#C)C,"InChI=1S/C17H22N2O4/c1-6-7-18-9-13(20)19(16(18)22)10-23-15(21)14-12(8-11(2)3)17(14,4)5/h1,8,12,14H,7,9-10H2,2-5H3",VPRAQYXPZIFIOH-UHFFFAOYSA-N,C17H22N2O4,318.4,318.1579572,2.1,66.9,622,0,0,4,6,23,110 °C,,1,0,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1
METRIBUZIN,021087-64-9,30479,"4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one",CC(C)(C)C1=NN=C(N(C1=O)N)SC,"InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3",FOXFZRUHNHCZPX-UHFFFAOYSA-N,C8H14N4OS,214.29,214.0888323,1.7,96.4,316,0,1,5,2,14,,132 °C @ 2 Pa,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"N,N-DIMETHYLANILINIUM TETRA(PENTAFLUOROPHENYL)BORATE",118612-00-3,10996402,"dimethyl(phenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide",[B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.C[NH+](C)C1=CC=CC=C1,"InChI=1S/C24BF20.C8H11N/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;1-9(2)8-6-4-3-5-7-8/h;3-7H,1-2H3/q-1;/p+1",BRHZQNMGSKUUMN-UHFFFAOYSA-O,C32H12BF20N,801.2,801.0743428,,4.4,880,0,1,21,5,54,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PIPERAZINE, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (3:2)",000144-29-6,15595021,"bis(2-hydroxypropane-1,2,3-tricarboxylic acid);piperazine",C1CNCCN1.C1CNCCN1.C1CNCCN1.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,"InChI=1S/2C6H8O7.3C4H10N2/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;3*1-2-6-4-3-5-1/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*5-6H,1-4H2",JDDHUROHDHPVIO-UHFFFAOYSA-N,C24H46N6O14,642.7,642.3072002,,336,254,0,14,20,10,44,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(1H-PYRAZOL-4-YL)PYRIDINE,019959-71-8,1417890,4-(1H-pyrazol-4-yl)pyridine,C1=CN=CC=C1C2=CNN=C2,"InChI=1S/C8H7N3/c1-3-9-4-2-7(1)8-5-10-11-6-8/h1-6H,(H,10,11)",TZDKFMFJVGNYLS-UHFFFAOYSA-N,C8H7N3,145.16,145.0639972,0.8,41.6,121,0,1,2,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, N-[3-(PHENYLAMINO)-2-PROPENYLIDENE]-, MONOHYDROCHLORIDE",028140-60-5,5706364,N-[(E)-3-phenyliminoprop-1-enyl]aniline;hydrochloride,C1=CC=C(C=C1)N/C=C/C=NC2=CC=CC=C2.Cl,"InChI=1S/C15H14N2.ClH/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15;/h1-13,16H;1H/b12-7+,17-13?;",PBKBURVPAHHUIK-AVUWLFEKSA-N,C15H15ClN2,258.74,258.0923762,,24.4,246,0,2,2,4,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ALPHA-(2-(4-CHLOROPHENYL)ETHYL)-ALPHA-(1,1-DIMETHETHYL)-1H-1,2,4-TRIAZOLE-1-ETHANOL",107534-96-3,86102,"1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol",CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O,"InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3",PXMNMQRDXWABCY-UHFFFAOYSA-N,C16H22ClN3O,307.82,307.14514,3.7,50.9,326,0,1,3,6,21,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"1,2-BENZISOTHIAZOL-3(2H)-ONE",002634-33-5,17520,"1,2-benzothiazol-3-one",C1=CC=C2C(=C1)C(=O)NS2,"InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)",DMSMPAJRVJJAGA-UHFFFAOYSA-N,C7H5NOS,151.19,151.009185,1.3,54.4,160,0,1,2,0,10,,327.6 °C,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"N-(2-chloroethyl)-N-(1-methyl-2-phenoxyethyl)-Benzylamine, hydrochloride",000063-92-3,5284441,N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine;hydrochloride,CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl,"InChI=1S/C18H22ClNO.ClH/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17;/h2-11,16H,12-15H2,1H3;1H",VBCPVIWPDJVHAN-UHFFFAOYSA-N,C18H23Cl2NO,340.3,339.1156697,,12.5,262,0,1,2,8,22,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
RESORCINOL DIGLYCIDYL ETHER,000101-90-6,7586,2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane,C1C(O1)COC2=CC(=CC=C2)OCC3CO3,"InChI=1S/C12H14O4/c1-2-9(13-5-11-7-15-11)4-10(3-1)14-6-12-8-16-12/h1-4,11-12H,5-8H2",WPYCRFCQABTEKC-UHFFFAOYSA-N,C12H14O4,222.24,222.0892089,1.2,43.5,211,0,0,4,6,16,"350 °F (NTP, 1992)","342 °F at 0.8 mmHg (NTP, 1992)",0,1,0,1,0,1,1,1,0,0,1,0,0,0,0,0,1,1,0,0
"1-PROPANONE, 2-METHYL-1-[4-(METHYLTHIO)PHENYL]-2-(4-MORPHOLINYL)-",071868-10-5,92387,2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one,CC(C)(C(=O)C1=CC=C(C=C1)SC)N2CCOCC2,"InChI=1S/C15H21NO2S/c1-15(2,16-8-10-18-11-9-16)14(17)12-4-6-13(19-3)7-5-12/h4-7H,8-11H2,1-3H3",LWRBVKNFOYUCNP-UHFFFAOYSA-N,C15H21NO2S,279.4,279.1293001,2.4,54.8,305,0,0,4,4,19,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"CHINOMETHIONAT (6-METHYL-1,3-DITHIOLO[4,5-B]QUINOXALIN-2-ONE]",002439-01-2,17109,"6-methyl-[1,3]dithiolo[4,5-b]quinoxalin-2-one",CC1=CC2=C(C=C1)N=C3C(=N2)SC(=O)S3,"InChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3",FBQQHUGEACOBDN-UHFFFAOYSA-N,C10H6N2OS2,234.3,233.9921552,3.1,93.5,287,0,0,5,0,15,,,1,1,1,1,0,0,1,1,0,0,0,0,0,1,0,0,0,1,1,0
CHLOROPHYLL A,000479-61-8,12085802,"magnesium methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate",CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5[C@H]([C@@H](C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H](C4=O)C(=O)OC)C)C.[Mg+2],"InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1",ATNHDLDRLWWWCB-AENOIHSZSA-M,C55H72MgN4O5,893.5,892.5353131,,96.4,2130,0,0,9,22,65,,,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
(+)-LONGIFOLENE,000475-20-7,1796220,"(1R,2S,7S,9S)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane",C[C@]12CCCC([C@@H]3[C@H]1CC[C@@H]3C2=C)(C)C,"InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,15-/m1/s1",PDSNLYSELAIEBU-GUIRCDHDSA-N,C15H24,204.35,204.1878008,5.1,0,312,0,0,0,0,15,,,1,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
(-)-ISOLONGIFOLENE,001135-66-6,11127402,"(1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene",CC1(CCC=C2[C@@]13CC[C@@H](C3)C2(C)C)C,"InChI=1S/C15H24/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h6,11H,5,7-10H2,1-4H3/t11-,15-/m0/s1",CQUAYTJDLQBXCQ-NHYWBVRUSA-N,C15H24,204.35,204.1878008,5,0,332,0,0,0,0,15,,,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
(-)-ALPHA-GURJUNENE,000489-40-7,15560276,"(1aR,4R,4aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydrocyclopropa[e]azulene",C[C@@H]1CC[C@@H]2[C@@H](C2(C)C)C3=C(CC[C@H]13)C,"InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3/t9-,11-,12-,14-/m1/s1",SPCXZDDGSGTVAW-XIDUGBJDSA-N,C15H24,204.35,204.1878008,4.1,0,321,0,0,0,0,15,,,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"AZULENE, 1,2,3,4,5,6,7,8-OCTAHYDRO-1,4-DIMETHYL-7-(1-METHYLETHYLIDENE)-, (1S-C",000088-84-6,15560252,"(1S,4S)-1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene",C[C@H]1CCC(=C(C)C)CC2=C1CC[C@@H]2C,"InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-12H,5-9H2,1-4H3/t11-,12-/m0/s1",GIBQERSGRNPMEH-RYUDHWBXSA-N,C15H24,204.35,204.1878008,4.1,0,313,0,0,0,0,15,,,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"CYCLOPROPA[D]NAPHTHALENE, 1,1A,4,4A,5,6,7,8-OCTAHYDRO-2,4A,8,8-TETRAMETHYL-, [",000470-40-6,442402,"(1aS,4aS,8aS)-2,4a,8,8-tetramethyl-1,1a,4,5,6,7-hexahydrocyclopropa[j]naphthalene",CC1=CC[C@@]2(CCCC([C@]23[C@H]1C3)(C)C)C,"InChI=1S/C15H24/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h6,12H,5,7-10H2,1-4H3/t12-,14-,15-/m0/s1",WXQGPFZDVCRBME-QEJZJMRPSA-N,C15H24,204.35,204.1878008,4.8,0,336,0,0,0,0,15,,,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACENAPHTHYLENE, DODECAHYDRO-",002146-36-3,102215,"1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene",C1CC2CCCC3C2C(C1)CC3,"InChI=1S/C12H20/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h9-12H,1-8H2",FZDZWLDRELLWNN-UHFFFAOYSA-N,C12H20,164.29,164.1565006,4.9,0,155,0,0,0,0,12,,,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
gamma-Oryzanol,011042-64-1,5282164,"[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate",C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)OC)C)C,"InChI=1S/C40H58O4/c1-26(2)10-9-11-27(3)29-18-20-38(7)33-16-15-32-36(4,5)34(19-21-39(32)25-40(33,39)23-22-37(29,38)6)44-35(42)17-13-28-12-14-30(41)31(24-28)43-8/h10,12-14,17,24,27,29,32-34,41H,9,11,15-16,18-23,25H2,1-8H3/b17-13+/t27-,29-,32+,33+,34+,37-,38+,39-,40+/m1/s1",FODTZLFLDFKIQH-FSVGXZBPSA-N,C40H58O4,602.9,602.4335103,12.1,55.8,1150,0,1,4,9,44,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4(1H)-PYRIDINONE, 1-METHYL-3-PHENYL-5-[3-(TRIFLUOROMETHYL)PHENYL]-",059756-60-4,43079,1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one,CN1C=C(C(=O)C(=C1)C2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=C3,"InChI=1S/C19H14F3NO/c1-23-11-16(13-6-3-2-4-7-13)18(24)17(12-23)14-8-5-9-15(10-14)19(20,21)22/h2-12H,1H3",YWBVHLJPRPCRSD-UHFFFAOYSA-N,C19H14F3NO,329.3,329.1027486,3.2,20.3,543,0,0,5,2,24,,,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
DANAZOL,017230-88-5,28417,"(1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC5=C(C[C@]34C)C=NO5,"InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1",POZRVZJJTULAOH-LHZXLZLDSA-N,C22H27NO2,337.5,337.2041791,3.8,46.3,677,0,1,3,1,25,,,0,1,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
TOBRAMYCIN SULFATE,049842-07-1,11954252,"bis((2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol);sulfuric acid",C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N.C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O,"InChI=1S/2C18H37N5O9.5H2O4S/c2*19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18;5*1-5(2,3)4/h2*5-18,24-28H,1-4,19-23H2;5*(H2,1,2,3,4)/t2*5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+;;;;;/m00...../s1",NZKFUBQRAWPZJP-BXKLGIMVSA-N,C36H84N10O38S5,1425.4,1424.355154,,951,690,0,30,48,12,89,,,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
17-beta-hydroxy-17-methyl-2-Oxa-5-alpha-androstan-3-one,000053-39-4,5878,"(1S,3aS,3bR,5aS,9aS,9bS,11aS)-1-hydroxy-1,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,6,9,9b,10,11-dodecahydroindeno[4,5-h]isochromen-7-one",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(COC(=O)C4)C,"InChI=1S/C19H30O3/c1-17-11-22-16(20)10-12(17)4-5-13-14(17)6-8-18(2)15(13)7-9-19(18,3)21/h12-15,21H,4-11H2,1-3H3/t12-,13+,14-,15-,17-,18-,19-/m0/s1",QSLJIVKCVHQPLV-PEMPUTJUSA-N,C19H30O3,306.4,306.2194948,3.7,46.5,503,0,1,3,0,22,,,0,1,1,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"D-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1",032385-11-8,36119,"(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol",C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)N)O,"InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1",URWAJWIAIPFPJE-YFMIWBNJSA-N,C19H37N5O7,447.5,447.2692985,-5.1,214,643,0,8,12,6,31,,,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
CYCLOHEXANEHEXONE,000527-31-1,68240,"cyclohexane-1,2,3,4,5,6-hexone",C1(=O)C(=O)C(=O)C(=O)C(=O)C1=O,InChI=1S/C6O6/c7-1-2(8)4(10)6(12)5(11)3(1)9,PKRGYJHUXHCUCN-UHFFFAOYSA-N,C6O6,168.06,167.9694877,-0.7,102,243,0,0,6,0,12,,,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-INDOLE, 2,3-DIHYDRO-1,3,3-TRIMETHYL-2-[(2-METHYL-3H-INDOL-3-YLIDENE)ETHYLID",003056-93-7,6433357,"1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium chloride",CC1=C(C2=CC=CC=C2N1)/C=C/C3=[N+](C4=CC=CC=C4C3(C)C)C.[Cl-],"InChI=1S/C22H22N2.ClH/c1-15-16(17-9-5-7-11-19(17)23-15)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4;/h5-14H,1-4H3;1H",ZOMLUNRKXJYKPD-UHFFFAOYSA-N,C22H23ClN2,350.9,350.1549764,,18.8,544,0,1,1,2,25,,,0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEPROPANOIC ACID, 3-(1,1-DIMETHYLETHYL)-4-HYDROXY-5-METHYL-, 2,4,8,10-TET",090498-90-1,11115306,"[2-[3-[1-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate",CC1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCC(C)(C)C2OCC3(CO2)COC(OC3)C(C)(C)COC(=O)CCC4=CC(=C(C(=C4)C)O)C(C)(C)C,"InChI=1S/C43H64O10/c1-27-17-29(19-31(35(27)46)39(3,4)5)13-15-33(44)48-21-41(9,10)37-50-23-43(24-51-37)25-52-38(53-26-43)42(11,12)22-49-34(45)16-14-30-18-28(2)36(47)32(20-30)40(6,7)8/h17-20,37-38,46-47H,13-16,21-26H2,1-12H3",CGRTZESQZZGAAU-UHFFFAOYSA-N,C43H64O10,741,740.4499482,8.9,130,1090,0,2,10,16,53,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Naphthalenemethanamine, N-((4-(1,1-dimethylethyl)phenyl)methyl)-N-methyl-, h",101827-46-7,443867,1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine;hydrochloride,CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=CC=CC=C32.Cl,"InChI=1S/C23H27N.ClH/c1-23(2,3)21-14-12-18(13-15-21)16-24(4)17-20-10-7-9-19-8-5-6-11-22(19)20;/h5-15H,16-17H2,1-4H3;1H",LJBSAUIFGPSHCN-UHFFFAOYSA-N,C23H28ClN,353.9,353.1910276,,3.2,374,0,1,1,5,25,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-BUTANEDIOL DIGLYCIDYL ETHER",002425-79-8,17046,2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane,C1C(O1)COCCCCOCC2CO2,"InChI=1S/C10H18O4/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h9-10H,1-8H2",SHKUUQIDMUMQQK-UHFFFAOYSA-N,C10H18O4,202.25,202.1205091,0,43.5,144,0,0,4,9,14,"greater than 200 °F (NTP, 1992)","311 to 320 °F at 11 mmHg (NTP, 1992)",0,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"Propanamide, 2-(2-naphthalenyloxy)-N-phenyl-",052570-16-8,40413,2-naphthalen-2-yloxy-N-phenylpropanamide,CC(C(=O)NC1=CC=CC=C1)OC2=CC3=CC=CC=C3C=C2,"InChI=1S/C19H17NO2/c1-14(19(21)20-17-9-3-2-4-10-17)22-18-12-11-15-7-5-6-8-16(15)13-18/h2-14H,1H3,(H,20,21)",LVKTWOXHRYGDMM-UHFFFAOYSA-N,C19H17NO2,291.3,291.1259288,4.4,38.3,364,0,1,2,4,22,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4,8,11-TETRAAZACYCLOTETRADECANE-5,7-DIONE",063972-19-0,196413,"1,4,8,11-tetrazacyclotetradecane-5,7-dione",C1CNCCNC(=O)CC(=O)NCCNC1,"InChI=1S/C10H20N4O2/c15-9-8-10(16)14-7-5-12-3-1-2-11-4-6-13-9/h11-12H,1-8H2,(H,13,15)(H,14,16)",BGVLBVASHIQNIO-UHFFFAOYSA-N,C10H20N4O2,228.29,228.1586259,-1.7,82.3,211,0,4,4,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
LITHIUM CYCLOPENTADIENYLIDE,016733-97-4,14063469,"lithium cyclopenta-1,3-diene",[Li+].C1C=CC=[C-]1,"InChI=1S/C5H5.Li/c1-2-4-5-3-1;/h1-3H,4H2;/q-1;+1",CSOHRTAOCDVTQU-UHFFFAOYSA-N,C5H5Li,72.1,72.05512859,,0,72,0,0,1,0,6,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
ADENOSINE 3':5'-CYCLIC MONOPHOSPHATE,000060-92-4,6076,"(4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol",C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O,"InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1",IVOMOUWHDPKRLL-KQYNXXCUSA-N,C10H12N5O6P,329.21,329.0525201,-2.6,155,498,0,3,10,1,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-PHENYLENE PHOSPHOROCHLORIDITE",001641-40-3,74232,"2-chloro-1,3,2-benzodioxaphosphole",C1=CC=C2C(=C1)OP(O2)Cl,InChI=1S/C6H4ClO2P/c7-10-8-5-3-1-2-4-6(5)9-10/h1-4H,YUJYEGDMJZHLMY-UHFFFAOYSA-N,C6H4ClO2P,174.52,173.9637441,2.5,18.5,119,0,0,2,0,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,4,6-TRIMETHYLPYRYLIUM TETRAFLUOROBORATE",000773-01-3,164732,"2,4,6-trimethylpyrylium tetrafluoroborate",[B-](F)(F)(F)F.CC1=CC(=[O+]C(=C1)C)C,"InChI=1S/C8H11O.BF4/c1-6-4-7(2)9-8(3)5-6;2-1(3,4)5/h4-5H,1-3H3;/q+1;-1",PYOPRIFMELCENN-UHFFFAOYSA-N,C8H11BF4O,209.98,210.0839078,,1,99,0,0,5,0,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"4,4'-(2,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL)ETHYLIDENE)DIPHTHALIC ANHYDRIDE",001107-00-2,70677,"5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione",C1=CC2=C(C=C1C(C3=CC4=C(C=C3)C(=O)OC4=O)(C(F)(F)F)C(F)(F)F)C(=O)OC2=O,"InChI=1S/C19H6F6O6/c20-18(21,22)17(19(23,24)25,7-1-3-9-11(5-7)15(28)30-13(9)26)8-2-4-10-12(6-8)16(29)31-14(10)27/h1-6H",QHHKLPCQTTWFSS-UHFFFAOYSA-N,C19H6F6O6,444.2,444.0068569,4.6,86.7,765,0,0,12,2,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHOSPHAZENE BASE P(1)-T-BU-TRIS(TETRAMETHYLENE),161118-67-8,3856267,tert-butylimino(tripyrrolidin-1-yl)-lambda5-phosphane,CC(C)(C)N=P(N1CCCC1)(N2CCCC2)N3CCCC3,"InChI=1S/C16H33N4P/c1-16(2,3)17-21(18-10-4-5-11-18,19-12-6-7-13-19)20-14-8-9-15-20/h4-15H2,1-3H3",PVNUIRUAPVSSOK-UHFFFAOYSA-N,C16H33N4P,312.43,312.2442841,3.2,22.1,349,0,0,4,4,21,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"2-TERT-BUTYLIMINO-2-DIETHYLAMINO-1,3-DIMETHYLPERHYDRO-1,3,2-DIAZAPHOS",098015-45-3,3513851,"2-tert-butylimino-N,N-diethyl-1,3-dimethyl-1,3,2lambda5-diazaphosphinan-2-amine",CCN(CC)P1(=NC(C)(C)C)N(CCCN1C)C,"InChI=1S/C13H31N4P/c1-8-17(9-2)18(14-13(3,4)5)15(6)11-10-12-16(18)7/h8-12H2,1-7H3",VSCBATMPTLKTOV-UHFFFAOYSA-N,C13H31N4P,274.39,274.228634,2.6,22.1,303,0,0,4,4,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
4-(1-PYRROLIDINYL)PIPERIDINE,005004-07-9,78703,4-pyrrolidin-1-ylpiperidine,C1CCN(C1)C2CCNCC2,"InChI=1S/C9H18N2/c1-2-8-11(7-1)9-3-5-10-6-4-9/h9-10H,1-8H2",STWODXDTKGTVCJ-UHFFFAOYSA-N,C9H18N2,154.25,154.1469986,0.9,15.3,113,0,1,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-IODOXYBENZOIC ACID,061717-82-6,339496,"1-hydroxy-1-oxo-1lambda5,2-benziodoxol-3-one",C1=CC=C2C(=C1)C(=O)OI2(=O)O,"InChI=1S/C7H5IO4/c9-7-5-3-1-2-4-6(5)8(10,11)12-7/h1-4H,(H,10,11)",CQMJEZQEVXQEJB-UHFFFAOYSA-N,C7H5IO4,280.02,279.92326,1.4,63.6,262,0,1,4,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLO-HEXAFLUOROPROPANE-1,3-BIS(SULFONYL)IMIDE",084246-29-7,11208600,"4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide",C1(C(S(=O)(=O)NS(=O)(=O)C1(F)F)(F)F)(F)F,"InChI=1S/C3HF6NO4S2/c4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h10H",WOAGDWWRYOZHDS-UHFFFAOYSA-N,C3HF6NO4S2,293.2,292.9251188,0.9,97.1,463,0,1,11,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2-CHLORO-2-OXO-1,3,2-DIOXAPHOSPHOLANE",006609-64-9,81087,"2-chloro-1,3,2lambda5-dioxaphospholane 2-oxide",C1COP(=O)(O1)Cl,InChI=1S/C2H4ClO3P/c3-7(4)5-1-2-6-7/h1-2H2,SBMUNILHNJLMBF-UHFFFAOYSA-N,C2H4ClO3P,142.48,141.9586587,0,35.5,104,0,0,3,0,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
N-BENZYLMALEIMIDE,001631-26-1,74204,"1-benzylpyrrole-2,5-dione",C1=CC=C(C=C1)CN2C(=O)C=CC2=O,"InChI=1S/C11H9NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-7H,8H2",MKRBAPNEJMFMHU-UHFFFAOYSA-N,C11H9NO2,187.19,187.0633285,1,37.4,259,0,0,2,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"SILICIC ACID (H4SIO4), TETRAPHENYL ESTER",001174-72-7,70896,tetraphenyl silicate,C1=CC=C(C=C1)O[Si](OC2=CC=CC=C2)(OC3=CC=CC=C3)OC4=CC=CC=C4,"InChI=1S/C24H20O4Si/c1-5-13-21(14-6-1)25-29(26-22-15-7-2-8-16-22,27-23-17-9-3-10-18-23)28-24-19-11-4-12-20-24/h1-20H",ADLSSRLDGACTEX-UHFFFAOYSA-N,C24H20O4Si,400.5,400.1130857,,36.9,364,0,0,4,8,29,"greater than 230 °F (NTP, 1992)","784 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3,2-BENZODIOXAPHOSPHOLE, 2-CHLORO-, 2-OXIDE",001499-17-8,73909,"2-chloro-1,3,2lambda5-benzodioxaphosphole 2-oxide",C1=CC=C2C(=C1)OP(=O)(O2)Cl,InChI=1S/C6H4ClO3P/c7-11(8)9-5-3-1-2-4-6(5)10-11/h1-4H,KMWSGKPLIWNTEF-UHFFFAOYSA-N,C6H4ClO3P,190.52,189.9586587,2,35.5,190,0,0,3,0,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,3,2-DIOXAPHOSPHORINANE, 2-CHLORO-5,5-DIMETHYL-",002428-06-0,75508,"2-chloro-5,5-dimethyl-1,3,2-dioxaphosphinane",CC1(COP(OC1)Cl)C,"InChI=1S/C5H10ClO2P/c1-5(2)3-7-9(6)8-4-5/h3-4H2,1-2H3",RAOZVFGTRXLBTA-UHFFFAOYSA-N,C5H10ClO2P,168.56,168.0106942,1.8,18.5,97,0,0,2,0,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1H-2-BENZOXACYCLOTETRADECIN-1,7(8H)-DIONE, 3,4,5,6,9,10-HEXAHYDRO-14,16-DIHYDR",017924-92-4,5281576,"(4S,12E)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione",C[C@H]1CCCC(=O)CCC/C=C/C2=C(C(=CC(=C2)O)O)C(=O)O1,"InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1",MBMQEIFVQACCCH-QBODLPLBSA-N,C18H22O5,318.4,318.1467238,3.6,83.8,445,0,2,5,0,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0
"SILANE, CHLOROTRIS(PHENYLMETHYL)-",018740-59-5,87774,tribenzyl(chloro)silane,C1=CC=C(C=C1)C[Si](CC2=CC=CC=C2)(CC3=CC=CC=C3)Cl,"InChI=1S/C21H21ClSi/c22-23(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2",UTXPCJHKADAFBB-UHFFFAOYSA-N,C21H21ClSi,336.9,336.1101049,,0,274,0,0,0,6,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,5-FURANDIONE, DIHYDRO-3-(TETRAPROPENYL)-, COMPD. WITH METHYL-1H-BENZOTRIAZOL",071829-80-6,6441806,"4-methyl-2H-benzotriazole;3-[(2E,4Z,6E)-5-methylocta-2,4,6-trien-4-yl]-4-[(E)-prop-1-enyl]oxolane-2,5-dione",C/C=C/C1C(C(=O)OC1=O)/C(=C(/C)\C=C\C)/C=C/C.CC1=CC=CC2=NNN=C12,"InChI=1S/C16H20O3.C7H7N3/c1-5-8-11(4)12(9-6-2)14-13(10-7-3)15(17)19-16(14)18;1-5-3-2-4-6-7(5)9-10-8-6/h5-10,13-14H,1-4H3;2-4H,1H3,(H,8,9,10)/b8-5+,9-6+,10-7+,12-11-;",CIEUJABIHXIFPX-RWZOWGHDSA-N,C23H27N3O3,393.5,393.2052417,,84.9,604,0,1,5,4,29,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
3-THIENYLMAGNESIUM IODIDE,172035-86-8,10752186,magnesium;3H-thiophen-3-ide;iodide,C1=CSC=[C-]1.[Mg+2].[I-],"InChI=1S/C4H3S.HI.Mg/c1-2-4-5-3-1;;/h1,3-4H;1H;/q-1;;+2/p-1",PMRZWJCJNHVGQW-UHFFFAOYSA-M,C4H3IMgS,234.34,233.88506,,25.3,79,0,0,3,0,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,2,3,4,5,6,7,8-OCTAHYDROANTHRACENE",001079-71-6,66181,"1,2,3,4,5,6,7,8-octahydroanthracene",C1CCC2=CC3=C(CCCC3)C=C2C1,"InChI=1S/C14H18/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h9-10H,1-8H2",LFAYMJXHGYUQNV-UHFFFAOYSA-N,C14H18,186.29,186.1408506,4.7,0,154,0,0,0,0,14,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
COLLAGENASE,009001-12-1,44384985,"(5S,6S,9R,10S,13S,17S,23S,24S,27R,28S,31S,35S)-5,6,9,13,17,23,24,27,31,35-decamethyl-10,28-dioctyl-2,20-diazanonacyclo[19.15.0.03,19.05,17.06,14.09,13.023,35.024,32.027,31]hexatriaconta-1(21),2,19-triene",CCCCCCCC[C@H]1CC[C@@]2([C@@]1(CC[C@]3(C2CC[C@@]4([C@@]3(CC5=C(C4)N=C6C[C@]7([C@@](CCC8[C@@]7(CC[C@]9([C@]8(CC[C@@H]9CCCCCCCC)C)C)C)(CC6=N5)C)C)C)C)C)C)C,"InChI=1S/C60H100N2/c1-13-15-17-19-21-23-25-43-27-33-55(7)49-29-31-51(3)39-45-47(41-59(51,11)57(49,9)37-35-53(43,55)5)61-46-40-52(4)32-30-50-56(8)34-28-44(26-24-22-20-18-16-14-2)54(56,6)36-38-58(50,10)60(52,12)42-48(46)62-45/h43-44,49-50H,13-42H2,1-12H3/t43-,44-,49?,50?,51-,52-,53+,54+,55-,56-,57-,58-,59-,60-/m0/s1",YRQNKMKHABXEJZ-UVQQGXFZSA-N,C60H100N2,849.4,848.7886512,21.9,25.8,1490,0,0,2,14,62,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"2,5-DIPHENYL-P-BENZOQUINONE",000844-51-9,70055,"2,5-diphenylcyclohexa-2,5-diene-1,4-dione",C1=CC=C(C=C1)C2=CC(=O)C(=CC2=O)C3=CC=CC=C3,InChI=1S/C18H12O2/c19-17-12-16(14-9-5-2-6-10-14)18(20)11-15(17)13-7-3-1-4-8-13/h1-12H,QYXHDJJYVDLECA-UHFFFAOYSA-N,C18H12O2,260.3,260.0837296,3.3,34.1,414,0,0,2,2,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
9-PHENYLCARBAZOLE,001150-62-5,70851,9-phenylcarbazole,C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC=CC=C42,InChI=1S/C18H13N/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13H,VIJYEGDOKCKUOL-UHFFFAOYSA-N,C18H13N,243.3,243.1047994,5,4.9,285,0,0,0,1,19,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
RESTRICTION ENDODEOXYRIBONUCLEASE BAMH I,081295-09-2,168009926,4-methylidene-3-prop-2-enylidenecyclohexan-1-ol,C=CC=C1CC(CCC1=C)O.C=CC=C1CC(CCC1=C)O,"InChI=1S/2C10H14O/c2*1-3-4-9-7-10(11)6-5-8(9)2/h2*3-4,10-11H,1-2,5-7H2",DXPFIOMVMNHFEU-UHFFFAOYSA-N,C20H28O2,300.4,300.2089301,,40.5,201,0,2,2,2,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
ANTHANTHRENE,000191-26-4,9118,"hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene",C1=CC2=C3C(=C1)C=C4C=CC5=C6C4=C3C(=CC6=CC=C5)C=C2,InChI=1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H,YFIJJNAKSZUOLT-UHFFFAOYSA-N,C22H12,276.3,276.0939004,6.7,0,411,0,0,0,0,22,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0
TRYPSINOGEN,009002-08-8,92043572,(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]hexanoic acid,C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)N,"InChI=1S/C39H55N9O17/c1-19(41)38(63)48-13-7-11-27(48)37(62)47-22(14-20-8-3-2-4-9-20)32(57)43-24(16-29(51)52)34(59)45-26(18-31(55)56)36(61)46-25(17-30(53)54)35(60)44-23(15-28(49)50)33(58)42-21(39(64)65)10-5-6-12-40/h2-4,8-9,19,21-27H,5-7,10-18,40-41H2,1H3,(H,42,58)(H,43,57)(H,44,60)(H,45,59)(H,46,61)(H,47,62)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,64,65)/t19-,21-,22-,23-,24-,25-,26-,27-/m0/s1",NDIORHLFYZGYPG-FNRPHRCSSA-N,C39H55N9O17,921.9,921.3715913,-8.9,433,1770,0,13,19,28,65,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,0
N-TOSYL-L-PHENYLALANINE CHLOROMETHYL KETONE,000402-71-1,439647,N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide,CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)CCl,"InChI=1S/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3/t16-/m0/s1",MQUQNUAYKLCRME-INIZCTEOSA-N,C17H18ClNO3S,351.8,351.0695923,3.6,71.6,475,0,1,4,7,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2-DIPHENYL-1-PICRYLHYDRAZYL",001898-66-4,2735032,,C1=CC=C(C=C1)N(C2=CC=CC=C2)[N]C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C18H12N5O6/c24-21(25)15-11-16(22(26)27)18(17(12-15)23(28)29)19-20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H,HHEAADYXPMHMCT-UHFFFAOYSA-N,C18H12N5O6,394.3,394.0787581,5.5,142,549,0,0,7,4,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0
DIBENZYL PHOSPHATE,001623-08-1,74189,dibenzyl hydrogen phosphate,C1=CC=C(C=C1)COP(=O)(O)OCC2=CC=CC=C2,"InChI=1S/C14H15O4P/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,16)",HDFFVHSMHLDSLO-UHFFFAOYSA-N,C14H15O4P,278.24,278.070796,2,55.8,270,0,1,4,6,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-Bis(N-Carbazolyl)-1,1'-biphenyl",058328-31-7,11248716,9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole,C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=C(C=C4)C5=CC=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86,InChI=1S/C36H24N2/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38/h1-24H,VFUDMQLBKNMONU-UHFFFAOYSA-N,C36H24N2,484.6,484.1939488,9.7,9.9,683,0,0,0,3,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BIS(DICYCLOHEXYLPHOSPHINO)ETHANE",023743-26-2,534202,dicyclohexyl(2-dicyclohexylphosphanylethyl)phosphane,C1CCC(CC1)P(CCP(C2CCCCC2)C3CCCCC3)C4CCCCC4,"InChI=1S/C26H48P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h23-26H,1-22H2",BOUYBUIVMHNXQB-UHFFFAOYSA-N,C26H48P2,422.6,422.3231255,6.9,0,336,0,0,0,7,28,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
GS-441524,1191237-69-0,44468216,"(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile",C1=C2C(=NC=NN2C(=C1)[C@]3([C@@H]([C@@H]([C@H](O3)CO)O)O)C#N)N,"InChI=1S/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/t7-,9-,10-,12+/m1/s1",BRDWIEOJOWJCLU-LTGWCKQJSA-N,C12H13N5O4,291.26,291.0967539,-1.4,150,456,0,4,8,2,21,,,0,0,0,0,0,0,0,1,0,0,1,0,0,1,1,0,1,1,0,1
"PYRIDINE, 4-(2-PHENYLETHENYL)-",000103-31-1,641098,4-[(E)-2-phenylethenyl]pyridine,C1=CC=C(C=C1)/C=C/C2=CC=NC=C2,InChI=1S/C13H11N/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h1-11H/b7-6+,QKHRGPYNTXRMSL-VOTSOKGWSA-N,C13H11N,181.23,181.0891494,3.1,12.9,174,0,0,1,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DISTANNOXANE, HEXAKIS(2-METHYL-2-PHENYLPROPYL)-",013356-08-6,16683004,tris(2-methyl-2-phenylpropyl)-tris(2-methyl-2-phenylpropyl)stannyloxystannane,CC(C)(C[Sn](CC(C)(C)C1=CC=CC=C1)(CC(C)(C)C2=CC=CC=C2)O[Sn](CC(C)(C)C3=CC=CC=C3)(CC(C)(C)C4=CC=CC=C4)CC(C)(C)C5=CC=CC=C5)C6=CC=CC=C6,"InChI=1S/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;",HOXINJBQVZWYGZ-UHFFFAOYSA-N,C60H78OSn2,1052.7,1052.40908,,9.2,1070,0,0,1,20,63,,235-240 °C @ 0.05 mm,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"PYRIDINE, 4-[2-(1-PIPERIDINYL)ETHYL]-",013450-67-4,83476,4-(2-piperidin-1-ylethyl)pyridine,C1CCN(CC1)CCC2=CC=NC=C2,"InChI=1S/C12H18N2/c1-2-9-14(10-3-1)11-6-12-4-7-13-8-5-12/h4-5,7-8H,1-3,6,9-11H2",ICBUOQBBEUSCAJ-UHFFFAOYSA-N,C12H18N2,190.28,190.1469986,2,16.1,146,0,0,2,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BICYCLO[3.1.1]HEPTAN-3-ONE, 6,6-DIMETHYL-2-METHYLENE-",016812-40-1,121719,"6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-one",CC1(C2CC1C(=C)C(=O)C2)C,"InChI=1S/C10H14O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-8H,1,4-5H2,2-3H3",TZDMGBLPGZXHJI-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,2.2,17.1,237,0,0,1,0,11,,217.00 to 218.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,1,0,0
"1,3-DIAZETIDIN-2-ONE, 1,3-BIS[4-[(4-ISOCYANATOPHENYL)METHYL]PHENYL]-4-[[4-[(4-",031107-36-5,161693,"1,3-bis[4-[(4-isocyanatophenyl)methyl]phenyl]-4-[4-[(4-isocyanatophenyl)methyl]phenyl]imino-1,3-diazetidin-2-one",C1=CC(=CC=C1CC2=CC=C(C=C2)N=C3N(C(=O)N3C4=CC=C(C=C4)CC5=CC=C(C=C5)N=C=O)C6=CC=C(C=C6)CC7=CC=C(C=C7)N=C=O)N=C=O,"InChI=1S/C44H30N6O4/c51-28-45-37-13-1-31(2-14-37)25-34-7-19-40(20-8-34)48-43-49(41-21-9-35(10-22-41)26-32-3-15-38(16-4-32)46-29-52)44(54)50(43)42-23-11-36(12-24-42)27-33-5-17-39(18-6-33)47-30-53/h1-24H,25-27H2",NFAVIZJKOVSCKV-UHFFFAOYSA-N,C44H30N6O4,706.7,706.2328535,12.7,124,1330,0,0,8,12,54,,,0,0,1,0,0,1,0,1,0,0,0,0,0,0,1,0,1,1,1,1
"Acetic acid, diphenylpropoxy-, 1-methyl-4-piperidyl ester, hydrochloride",054556-98-8,441412,"(1-methylpiperidin-4-yl) 2,2-diphenyl-2-propoxyacetate;hydrochloride",CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CCN(CC3)C.Cl,"InChI=1S/C23H29NO3.ClH/c1-3-18-26-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22(25)27-21-14-16-24(2)17-15-21;/h4-13,21H,3,14-18H2,1-2H3;1H",KFUJMHHNLGCTIJ-UHFFFAOYSA-N,C23H30ClNO3,403.9,403.1914215,,38.8,429,0,1,4,8,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-p",071441-28-6,5289501,"4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid",C/C(=C\C1=CC=C(C=C1)C(=O)O)/C2=CC3=C(C=C2)C(CCC3(C)C)(C)C,"InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+",FOIVPCKZDPCJJY-JQIJEIRASA-N,C24H28O2,348.5,348.2089301,7.5,37.3,549,0,1,2,3,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"SULFONIUM, (THIODI-4,1-PHENYLENE)BIS[DIPHENYL-, BIS[HEXAFLUOROPHOSPHATE(1-)]",074227-35-3,498987,[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium dihexafluorophosphate,C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=C(C=C3)SC4=CC=C(C=C4)[S+](C5=CC=CC=C5)C6=CC=CC=C6.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F,"InChI=1S/C36H28S3.2F6P/c1-5-13-31(14-6-1)38(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-30-23-27-36(28-24-30)39(33-17-9-3-10-18-33)34-19-11-4-12-20-34;2*1-7(2,3,4,5)6/h1-28H;;/q+2;2*-1",YLVPBWWLXQQGJS-UHFFFAOYSA-N,C36H28F12P2S3,846.7,846.0636764,,27.3,638,0,0,15,8,53,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"2,5-PIPERAZINEDIONE",000106-57-0,7817,"piperazine-2,5-dione",C1C(=O)NCC(=O)N1,"InChI=1S/C4H6N2O2/c7-3-1-5-4(8)2-6-3/h1-2H2,(H,5,8)(H,6,7)",BXRNXXXXHLBUKK-UHFFFAOYSA-N,C4H6N2O2,114.1,114.0429274,-1.3,58.2,116,0,2,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRIBENZYLAMINE,000620-40-6,24321,"N,N-dibenzyl-1-phenylmethanamine",C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC3=CC=CC=C3,"InChI=1S/C21H21N/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2",MXHTZQSKTCCMFG-UHFFFAOYSA-N,C21H21N,287.4,287.1673997,4.7,3.2,235,0,0,1,6,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-CYCLOHEXYL-3-(2-MORPHOLINOETHYL)CARBODIIMIDE METHO-P-TOLUENE SULFONATE,002491-17-0,17220,N'-cyclohexyl-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]methanediimine;4-methylbenzenesulfonate,CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(CCOCC1)CCN=C=NC2CCCCC2,"InChI=1S/C14H26N3O.C7H8O3S/c1-17(9-11-18-12-10-17)8-7-15-13-16-14-5-3-2-4-6-14;1-6-2-4-7(5-3-6)11(8,9)10/h14H,2-12H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",GBCAVSYHPPARHX-UHFFFAOYSA-M,C21H33N3O4S,423.6,423.2191777,,99.5,491,0,0,6,4,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-NAPHTHOLBENZEIN,000145-50-6,3033966,(4E)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one,C1=CC=C(C=C1)/C(=C\2/C=CC(=O)C3=CC=CC=C23)/C4=CC=C(C5=CC=CC=C54)O,"InChI=1S/C27H18O2/c28-25-16-14-23(19-10-4-6-12-21(19)25)27(18-8-2-1-3-9-18)24-15-17-26(29)22-13-7-5-11-20(22)24/h1-17,28H/b27-24+",VDDWRTZCUJCDJM-SOYKGTTHSA-N,C27H18O2,374.4,374.1306798,6.6,37.3,668,0,1,2,2,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-(2-PYRIDYLDITHIO)PROPIONIC ACID N-HYDROXYSUCCINIMIDE ESTER,068181-17-9,100682,"(2,5-dioxopyrrolidin-1-yl) 3-(pyridin-2-yldisulfanyl)propanoate",C1CC(=O)N(C1=O)OC(=O)CCSSC2=CC=CC=N2,"InChI=1S/C12H12N2O4S2/c15-10-4-5-11(16)14(10)18-12(17)6-8-19-20-9-3-1-2-7-13-9/h1-3,7H,4-6,8H2",JWDFQMWEFLOOED-UHFFFAOYSA-N,C12H12N2O4S2,312.4,312.0238492,0.7,127,376,0,0,7,7,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4,7,10-TETRATHIACYCLODODECANE",025423-56-7,141206,"1,4,7,10-tetrathiacyclododecane",C1CSCCSCCSCCS1,InChI=1S/C8H16S4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2,MULBAFLKPUVJKC-UHFFFAOYSA-N,C8H16S4,240.5,240.0134852,2.6,101,65,0,0,4,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OXAZINE 170,062669-60-7,93338,ethyl-[5-(ethylamino)-10-methylbenzo[a]phenoxazin-9-ylidene]azanium perchlorate,CCNC1=CC2=C(C3=CC=CC=C31)N=C4C=C(C(=[NH+]CC)C=C4O2)C.[O-]Cl(=O)(=O)=O,"InChI=1S/C21H21N3O.ClHO4/c1-4-22-16-11-19-18(10-13(16)3)24-21-15-9-7-6-8-14(15)17(23-5-2)12-20(21)25-19;2-1(3,4)5/h6-12,23H,4-5H2,1-3H3;(H,2,3,4,5)",CBXAZZAYBZVPEZ-UHFFFAOYSA-N,C21H22ClN3O5,431.9,431.1247985,,122,741,0,2,7,3,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CYCLODODECENE,001501-82-2,637538,cyclododecene,C1CCCCC/C=C\CCCC1,"InChI=1S/C12H22/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H,3-12H2/b2-1-",HYPABJGVBDSCIT-UPHRSURJSA-N,C12H22,166.3,166.1721507,5.7,0,99,0,0,0,0,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
CREATININE,000060-27-5,588,2-amino-3-methyl-4H-imidazol-5-one,CN1CC(=O)N=C1N,"InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)",DDRJAANPRJIHGJ-UHFFFAOYSA-N,C4H7N3O,113.12,113.0589119,-1.8,58.7,151,0,1,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4,7,10,13,16-HEXATHIACYCLOOCTADECANE",000296-41-3,325971,"1,4,7,10,13,16-hexathiacyclooctadecane",C1CSCCSCCSCCSCCSCCS1,InChI=1S/C12H24S6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2,HELCSRZMDRYPIJ-UHFFFAOYSA-N,C12H24S6,360.7,360.0202278,3.9,152,108,0,0,6,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENYLAZOFORMIC ACID 2-PH-HYDRAZIDE, CPD W/1,5-DIPH-CARBAZIDE",010329-15-4,221124,"1-anilino-3-phenyliminourea;1,3-dianilinourea",C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2.C1=CC=C(C=C1)NNC(=O)N=NC2=CC=CC=C2,"InChI=1S/C13H14N4O.C13H12N4O/c2*18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14-15H,(H2,16,17,18);1-10,14H,(H,16,18)",WDJPBIRJSVMEKJ-UHFFFAOYSA-N,C26H26N8O2,482.5,482.2178721,,131,504,0,6,6,7,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM PHTHALIMIDATE,001074-82-4,3356745,"potassium isoindol-2-ide-1,3-dione",C1=CC=C2C(=C1)C(=O)[N-]C2=O.[K+],"InChI=1S/C8H5NO2.K/c10-7-5-3-1-2-4-6(5)8(11)9-7;/h1-4H,(H,9,10,11);/q;+1/p-1",FYRHIOVKTDQVFC-UHFFFAOYSA-M,C8H4KNO2,185.22,184.9879099,,35.1,195,0,0,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
D-LUCIFERIN,002591-17-5,92934,"(4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid",C1[C@@H](N=C(S1)C2=NC3=C(S2)C=C(C=C3)O)C(=O)O,"InChI=1S/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/t7-/m1/s1",BJGNCJDXODQBOB-SSDOTTSWSA-N,C11H8N2O3S2,280.3,279.9976345,2.2,136,390,0,2,7,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,5-TRIHYDROXYPYRIMIDINE",000496-76-4,96994,"1,3-diazinane-2,4,5-trione",C1C(=O)C(=O)NC(=O)N1,"InChI=1S/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1H2,(H2,5,6,8,9)",FQXOOGHQVPKHPG-UHFFFAOYSA-N,C4H4N2O3,128.09,128.022192,-1.2,75.3,186,0,2,3,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LD 690 PERCHLORATE,041830-81-3,18421180,"ethyl-[7-(ethylamino)-2,8-dimethylphenoxazin-3-ylidene]azanium perchlorate",CCNC1=CC2=C(C=C1C)N=C3C=C(C(=[NH+]CC)C=C3O2)C.[O-]Cl(=O)(=O)=O,"InChI=1S/C18H21N3O.ClHO4/c1-5-19-13-9-17-15(7-11(13)3)21-16-8-12(4)14(20-6-2)10-18(16)22-17;2-1(3,4)5/h7-10,19H,5-6H2,1-4H3;(H,2,3,4,5)",YDTINNWJPMAKSP-UHFFFAOYSA-N,C18H22ClN3O5,395.8,395.1247985,,122,611,0,2,7,3,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,4-DIPHENYLBUTADIYNE",000886-66-8,70174,"4-phenylbuta-1,3-diynylbenzene",C1=CC=C(C=C1)C#CC#CC2=CC=CC=C2,"InChI=1S/C16H10/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9-12H",HMQFJYLWNWIYKQ-UHFFFAOYSA-N,C16H10,202.25,202.0782503,5.2,0,289,0,0,0,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-PHENYL-1,3,8-TRIAZASPIRO(4.5)-DECAN-4-ONE",001021-25-6,70556,"1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one",C1CNCCC12C(=O)NCN2C3=CC=CC=C3,"InChI=1S/C13H17N3O/c17-12-13(6-8-14-9-7-13)16(10-15-12)11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,17)",HTQWGIHCFPWKAS-UHFFFAOYSA-N,C13H17N3O,231.29,231.1371622,0.8,44.4,293,0,2,3,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(2-PIPERIDINOETHYL)PYRIDINE,005452-83-5,79548,2-(2-piperidin-1-ylethyl)pyridine,C1CCN(CC1)CCC2=CC=CC=N2,"InChI=1S/C12H18N2/c1-4-9-14(10-5-1)11-7-12-6-2-3-8-13-12/h2-3,6,8H,1,4-5,7,9-11H2",ZOXWZYTVCGKPOX-UHFFFAOYSA-N,C12H18N2,190.28,190.1469986,1.7,16.1,152,0,0,2,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2'-AZINOBIS(3-ETHYLBENZOTHIAZOLINE-6-SULFONIC ACID), DIAMMONIUM SALT",030931-67-0,16240279,"azane;(2Z)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid",CCN1/C(=N/N=C/2\SC3=C(N2CC)C=CC(=C3)S(=O)(=O)O)/SC4=C1C=CC(=C4)S(=O)(=O)O.N.N,"InChI=1S/C18H18N4O6S4.2H3N/c1-3-21-13-7-5-11(31(23,24)25)9-15(13)29-17(21)19-20-18-22(4-2)14-8-6-12(32(26,27)28)10-16(14)30-18;;/h5-10H,3-4H2,1-2H3,(H,23,24,25)(H,26,27,28);2*1H3/b19-17-,20-18-;;",OHDRQQURAXLVGJ-AXMZSLBLSA-N,C18H24N6O6S4,548.7,548.0640172,,209,910,0,4,12,5,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COUMARIN 545,085642-11-1,5237252,"5-(1,3-benzothiazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one",C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=NC6=CC=CC=C6S5)CCCN3C1,"InChI=1S/C22H18N2O2S/c25-22-16(21-23-17-7-1-2-8-18(17)27-21)12-14-11-13-5-3-9-24-10-4-6-15(19(13)24)20(14)26-22/h1-2,7-8,11-12H,3-6,9-10H2",WYZWJLZUSHFFOR-UHFFFAOYSA-N,C22H18N2O2S,374.5,374.108899,4.9,70.7,652,0,0,5,1,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
MTT,000298-93-1,64965,"2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole bromide",CC1=C(SC(=N1)[N+]2=NC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-],"InChI=1S/C18H16N5S.BrH/c1-13-14(2)24-18(19-13)23-21-17(15-9-5-3-6-10-15)20-22(23)16-11-7-4-8-12-16;/h3-12H,1-2H3;1H/q+1;/p-1",AZKSAVLVSZKNRD-UHFFFAOYSA-M,C18H16BrN5S,414.3,413.03098,,75.7,410,0,0,5,3,25,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
LC 3780,002043-06-3,96840,"2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole",C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(O3)C4=CC=C(C=C4)C5=CC=CC=C5,InChI=1S/C26H18N2O/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-27-28-26(29-25)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H,IVVYVRLKDGGUEL-UHFFFAOYSA-N,C26H18N2O,374.4,374.1419132,6.3,38.9,439,0,0,3,4,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3'-DIETHYLOXADICARBOCYANINE IODIDE",014806-50-9,5702692,"(2Z)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole iodide",CCN\1C2=CC=CC=C2O/C1=C\C=C\C=C\C3=[N+](C4=CC=CC=C4O3)CC.[I-],"InChI=1S/C23H23N2O2.HI/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1",CLDZYSUDOQXJOU-UHFFFAOYSA-M,C23H23IN2O2,486.3,486.08043,,29.5,537,0,0,4,5,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GAMMA-MALEIMIDOBUTYRIC ACID N-HYDROXYSUCCINIMIDE ESTER,080307-12-6,133440,"(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate",C1CC(=O)N(C1=O)OC(=O)CCCN2C(=O)C=CC2=O,"InChI=1S/C12H12N2O6/c15-8-3-4-9(16)13(8)7-1-2-12(19)20-14-10(17)5-6-11(14)18/h3-4H,1-2,5-7H2",PVGATNRYUYNBHO-UHFFFAOYSA-N,C12H12N2O6,280.23,280.0695361,-1.2,101,490,0,0,6,6,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMMONIUM BIBORATE TETRAHYDRATE,012228-87-4,44134537,"azane;2-hydroxy-4-[(4-hydroxy-1,3,2,4-dioxadiboretan-2-yl)oxy]-1,3,2,4-dioxadiboretane;tetrahydrate",B1(OB(O1)OB2OB(O2)O)O.N.N.O.O.O.O,InChI=1S/B4H2O7.2H3N.4H2O/c5-1-7-3(8-1)11-4-9-2(6)10-4;;;;;;/h5-6H;2*1H3;4*1H2,QZNWNKFWDJRMLV-UHFFFAOYSA-N,B4H16N2O11,263.4,264.11263,,92.6,121,0,8,13,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BUTYL-PBD,015082-28-7,84782,"2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole",CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)C4=CC=CC=C4,"InChI=1S/C24H22N2O/c1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16H,1-3H3",XZCJVWCMJYNSQO-UHFFFAOYSA-N,C24H22N2O,354.4,354.1732133,6.4,38.9,451,0,0,3,4,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,2'-PYRIDIL",000492-73-9,68115,"1,2-dipyridin-2-ylethane-1,2-dione",C1=CC=NC(=C1)C(=O)C(=O)C2=CC=CC=N2,InChI=1S/C12H8N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8H,PIINXYKJQGMIOZ-UHFFFAOYSA-N,C12H8N2O2,212.2,212.0585775,1.4,59.9,250,0,0,4,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRONIC ACID,004971-56-6,521261,"oxolane-2,4-dione",C1C(=O)COC1=O,InChI=1S/C4H4O3/c5-3-1-4(6)7-2-3/h1-2H2,JCGNDDUYTRNOFT-UHFFFAOYSA-N,C4H4O3,100.07,100.016044,-0.1,43.4,116,0,0,3,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
MEROCYANINE 540,062796-23-0,5702743,"sodium 3-[(2Z)-2-[(E)-4-(1,3-dibutyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)but-2-enylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonate",CCCCN1C(=O)C(=C/C=C/C=C\2/N(C3=CC=CC=C3O2)CCCS(=O)(=O)[O-])C(=O)N(C1=S)CCCC.[Na+],"InChI=1S/C26H33N3O6S2.Na/c1-3-5-16-28-24(30)20(25(31)29(26(28)36)17-6-4-2)12-7-10-15-23-27(18-11-19-37(32,33)34)21-13-8-9-14-22(21)35-23;/h7-10,12-15H,3-6,11,16-19H2,1-2H3,(H,32,33,34);/q;+1/p-1/b10-7+,23-15-;",OSQUFVVXNRMSHL-LTHRDKTGSA-M,C26H32N3NaO6S2,569.7,569.1630224,,151,1020,0,0,8,12,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DOWTHERM A,008004-13-5,24670,"1,1'-biphenyl;phenoxybenzene",C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)OC2=CC=CC=C2,InChI=1S/C12H10O.C12H10/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H;1-10H,MHCVCKDNQYMGEX-UHFFFAOYSA-N,C24H20O,324.4,324.1514153,,9.2,216,0,0,1,3,25,"255 °F (USCG, 1999)","494 °F at 760 mmHg (USCG, 1999)",1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
KRYPTOFIX 222,023978-09-8,72801,"4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane",C1COCCOCCN2CCOCCOCCN1CCOCCOCC2,InChI=1S/C18H36N2O6/c1-7-21-13-14-24-10-4-20-5-11-25-17-15-22-8-2-19(1)3-9-23-16-18-26-12-6-20/h1-18H2,AUFVJZSDSXXFOI-UHFFFAOYSA-N,C18H36N2O6,376.5,376.2573369,-1,61.9,247,0,0,8,0,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
STREPTAVIDIN,009013-20-1,51062757,2-[(3-chlorophenyl)-piperidin-1-ium-1-ylidenemethyl]sulfanylacetic acid bromide,C1CC[N+](=C(C2=CC(=CC=C2)Cl)SCC(=O)O)CC1.[Br-],"InChI=1S/C14H16ClNO2S.BrH/c15-12-6-4-5-11(9-12)14(19-10-13(17)18)16-7-2-1-3-8-16;/h4-6,9H,1-3,7-8,10H2;1H",RTWACOLFHOBGCE-UHFFFAOYSA-N,C14H17BrClNO2S,378.7,376.98519,,65.6,351,0,1,4,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,4,6-TETRACHLORO-3A,6A-DIPHENYLGLYCOLURIL",051592-06-4,40065,"1,3,4,6-tetrachloro-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5-dione",C1=CC=C(C=C1)C23C(N(C(=O)N2Cl)Cl)(N(C(=O)N3Cl)Cl)C4=CC=CC=C4,"InChI=1S/C16H10Cl4N4O2/c17-21-13(25)23(19)16(12-9-5-2-6-10-12)15(21,11-7-3-1-4-8-11)22(18)14(26)24(16)20/h1-10H",FJQZXCPWAGYPSD-UHFFFAOYSA-N,C16H10Cl4N4O2,432.1,431.952836,4.2,47.1,533,0,0,2,2,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
GLYOXAL TRIMER DIHYDRATE,004405-13-4,92988,"2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine-2,3,6,7-tetrol",C1(C(OC2C(O1)OC(C(O2)O)O)O)O,InChI=1S/C6H10O8/c7-1-2(8)12-6-5(11-1)13-3(9)4(10)14-6/h1-10H,BDSPTFQIOAEIII-UHFFFAOYSA-N,C6H10O8,210.14,210.0375673,-2.6,118,168,0,4,8,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZALDEHYDE TOSYLHYDRAZONE,001666-17-7,5368186,N-[(E)-benzylideneamino]-4-methylbenzenesulfonamide,CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=CC=CC=C2,"InChI=1S/C14H14N2O2S/c1-12-7-9-14(10-8-12)19(17,18)16-15-11-13-5-3-2-4-6-13/h2-11,16H,1H3/b15-11+",FZFLTDNAHASQQC-RVDMUPIBSA-N,C14H14N2O2S,274.34,274.0775989,2.9,66.9,386,0,1,4,4,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
HOMOPHTHALIC ANHYDRIDE,000703-59-3,12801,"4H-isochromene-1,3-dione",C1C2=CC=CC=C2C(=O)OC1=O,"InChI=1S/C9H6O3/c10-8-5-6-3-1-2-4-7(6)9(11)12-8/h1-4H,5H2",AKHSBAVQPIRVAG-UHFFFAOYSA-N,C9H6O3,162.14,162.031694,0.7,43.4,222,0,0,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BUCKMINSTERFULLERENE,099685-96-8,123591,"(C60-Ih)[5,6]fullerene",C12=C3C4=C5C6=C1C7=C8C9=C1C%10=C%11C(=C29)C3=C2C3=C4C4=C5C5=C9C6=C7C6=C7C8=C1C1=C8C%10=C%10C%11=C2C2=C3C3=C4C4=C5C5=C%11C%12=C(C6=C95)C7=C1C1=C%12C5=C%11C4=C3C3=C5C(=C81)C%10=C23,InChI=1S/C60/c1-2-5-6-3(1)8-12-10-4(1)9-11-7(2)17-21-13(5)23-24-14(6)22-18(8)28-20(12)30-26-16(10)15(9)25-29-19(11)27(17)37-41-31(21)33(23)43-44-34(24)32(22)42-38(28)48-40(30)46-36(26)35(25)45-39(29)47(37)55-49(41)51(43)57-52(44)50(42)56(48)59-54(46)53(45)58(55)60(57)59,XMWRBQBLMFGWIX-UHFFFAOYSA-N,C60,720.6,720,18.3,0,2030,0,0,0,0,60,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-AZA-12-CROWN-4,041775-76-2,545817,"1,4,7-trioxa-10-azacyclododecane",C1COCCOCCOCCN1,"InChI=1S/C8H17NO3/c1-3-10-5-7-12-8-6-11-4-2-9-1/h9H,1-8H2",QNSRHBOZQLXYNV-UHFFFAOYSA-N,C8H17NO3,175.23,175.1208434,-1.2,39.7,90,0,1,4,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4,7,10,13-PENTAOXA-16-AZACYCLOOCTADECANE",033941-15-0,118578,"1,4,7,10,13-pentaoxa-16-azacyclooctadecane",C1COCCOCCOCCOCCOCCN1,"InChI=1S/C12H25NO5/c1-3-14-5-7-16-9-11-18-12-10-17-8-6-15-4-2-13-1/h13H,1-12H2",NBXKUSNBCPPKRA-UHFFFAOYSA-N,C12H25NO5,263.33,263.1732729,-1.5,58.2,155,0,1,6,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIBENZO-24-CROWN-8,014174-09-5,84238,"2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene",C1COCCOC2=CC=CC=C2OCCOCCOCCOC3=CC=CC=C3OCCO1,"InChI=1S/C24H32O8/c1-2-6-22-21(5-1)29-17-13-25-9-10-27-15-19-31-23-7-3-4-8-24(23)32-20-16-28-12-11-26-14-18-30-22/h1-8H,9-20H2",UNTITLLXXOKDTB-UHFFFAOYSA-N,C24H32O8,448.5,448.209718,2.1,73.8,372,0,0,8,0,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
COUMARIN 138,062669-74-3,100527,"7-(dimethylamino)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one",CN(C)C1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2,"InChI=1S/C14H15NO2/c1-15(2)9-6-7-11-10-4-3-5-12(10)14(16)17-13(11)8-9/h6-8H,3-5H2,1-2H3",RIUSGHALMCFISX-UHFFFAOYSA-N,C14H15NO2,229.27,229.1102787,2.4,29.5,372,0,0,3,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POLACUREM 740M,057609-64-0,93312,3-(4-aminobenzoyl)oxypropyl 4-aminobenzoate,C1=CC(=CC=C1C(=O)OCCCOC(=O)C2=CC=C(C=C2)N)N,"InChI=1S/C17H18N2O4/c18-14-6-2-12(3-7-14)16(20)22-10-1-11-23-17(21)13-4-8-15(19)9-5-13/h2-9H,1,10-11,18-19H2",YPACMOORZSDQDQ-UHFFFAOYSA-N,C17H18N2O4,314.34,314.1266571,3.7,105,350,0,2,6,8,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3,5-TRICYCLOHEXYLHEXAHYDRO-S-TRIAZINE",006281-14-7,80478,"1,3,5-tricyclohexyl-1,3,5-triazinane",C1CCC(CC1)N2CN(CN(C2)C3CCCCC3)C4CCCCC4,"InChI=1S/C21H39N3/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h19-21H,1-18H2",ZLLRUEJANKJPQE-UHFFFAOYSA-N,C21H39N3,333.6,333.3143983,5.8,9.7,298,0,0,3,3,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIBENZO-21-CROWN-7,014098-41-0,585932,"2,5,8,15,18,21,24-heptaoxatricyclo[23.4.0.09,14]nonacosa-1(29),9,11,13,25,27-hexaene",C1COCCOC2=CC=CC=C2OCCOCCOC3=CC=CC=C3OCCO1,"InChI=1S/C22H28O7/c1-3-7-21-19(5-1)26-15-11-23-9-10-24-12-16-27-20-6-2-4-8-22(20)29-18-14-25-13-17-28-21/h1-8H,9-18H2",JKCQOMAQPUYHPL-UHFFFAOYSA-N,C22H28O7,404.5,404.1835032,2.3,64.6,373,0,0,7,0,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-IMINOTHIOLANE HYDROCHLORIDE,004781-83-3,13166855,thiolan-2-imine;hydrochloride,C1CC(=N)SC1.Cl,"InChI=1S/C4H7NS.ClH/c5-4-2-1-3-6-4;/h5H,1-3H2;1H",ATGUDZODTABURZ-UHFFFAOYSA-N,C4H8ClNS,137.63,137.0065981,,49.2,69,0,2,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"A-D-GLUCOSE 1,6-DIPHOSPHATE CYCLOHEXYLAMMONIUM HYDRATE",071662-13-0,16219424,"tetrakis(cyclohexanamine);[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate;hydrate",C1CCC(CC1)N.C1CCC(CC1)N.C1CCC(CC1)N.C1CCC(CC1)N.C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)OP(=O)(O)O.O,"InChI=1S/4C6H13N.C6H14O12P2.H2O/c4*7-6-4-2-1-3-5-6;7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15;/h4*6H,1-5,7H2;2-9H,1H2,(H2,10,11,12)(H2,13,14,15);1H2/t;;;;2-,3-,4+,5-,6-;/m....1./s1",DMUBREKUECBHKK-KMWDTYPGSA-N,C30H68N4O13P2,754.8,754.4258122,,309,460,0,12,17,5,49,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
URIDINE 5'-DIPHOSPHOGLUCOSE SODIUM SALT,117756-22-6,44134987,"disodium;[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate",C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OC3C(C(C(C(O3)CO)O)O)O)O)O.[Na+].[Na+],"InChI=1S/C15H24N2O17P2.2Na/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25;;/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25);;/q;2*+1/p-2",PKJQEQVCYGYYMM-UHFFFAOYSA-L,C15H22N2Na2O17P2,610.27,610.0189098,,297,948,0,7,17,9,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,6,9,14-TETRATHIABICYCLO(9.2.1)-TETRADECA-11,13-DIENE",060147-18-4,373749,"3,6,9,14-tetrathiabicyclo[9.2.1]tetradeca-1(13),11-diene",C1CSCC2=CC=C(S2)CSCCS1,"InChI=1S/C10H14S4/c1-2-10-8-13-6-4-11-3-5-12-7-9(1)14-10/h1-2H,3-8H2",GFFSEQUFOHFBGI-UHFFFAOYSA-N,C10H14S4,262.5,261.9978351,3,104,146,0,0,4,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4,8,11-TETRATHIACYCLOTETRADECANE",024194-61-4,300560,"1,4,8,11-tetrathiacyclotetradecane",C1CSCCSCCCSCCSC1,InChI=1S/C10H20S4/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h1-10H2,WMVHWZHZRYGGOO-UHFFFAOYSA-N,C10H20S4,268.5,268.0447853,3.3,101,92,0,0,4,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
8-ANILINO-1-NAPHTHALENESULFONIC ACID MAGNESIUM SALT,018108-68-4,87458,magnesium bis(8-anilinonaphthalene-1-sulfonate),C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)[O-].C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)[O-].[Mg+2],"InChI=1S/2C16H13NO3S.Mg/c2*18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13;/h2*1-11,17H,(H,18,19,20);/q;;+2/p-2",IRKGXNAZPUOEMW-UHFFFAOYSA-L,C32H24MgN2O6S2,621,620.0926205,,155,426,0,2,8,4,43,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N-BIS(2-(2,6-DIOXO-4-MORPHOLINYL)ETHYL)GLYCINE",023911-26-4,100825,"2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid",C1C(=O)OC(=O)CN1CCN(CCN2CC(=O)OC(=O)C2)CC(=O)O,"InChI=1S/C14H19N3O8/c18-10(19)5-15(1-3-16-6-11(20)24-12(21)7-16)2-4-17-8-13(22)25-14(23)9-17/h1-9H2,(H,18,19)",RAZLJUXJEOEYAM-UHFFFAOYSA-N,C14H19N3O8,357.32,357.1172146,-3.3,134,504,0,1,11,8,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ARALDITE CY 184,005493-45-8,21660,"bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate",C1CCC(C(C1)C(=O)OCC2CO2)C(=O)OCC3CO3,"InChI=1S/C14H20O6/c15-13(19-7-9-5-17-9)11-3-1-2-4-12(11)14(16)20-8-10-6-18-10/h9-12H,1-8H2",XFUOBHWPTSIEOV-UHFFFAOYSA-N,C14H20O6,284.3,284.1259884,0.9,77.7,346,0,0,6,8,20,"374 °F (NTP, 1992)","307 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
ALPHA-HUMULENE,006753-98-6,5281520,"(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene",C/C/1=C\CC(/C=C/C/C(=C/CC1)/C)(C)C,"InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+",FAMPSKZZVDUYOS-HRGUGZIWSA-N,C15H24,204.35,204.1878008,4.5,0,287,0,0,0,0,15,,99.00 to 100.00 °C. @ 3.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2',2""-(METHYLIDYNETRIS(PHENYLENEOXYMETHYLENE))TRISOXIRANE",066072-38-6,3034480,2-[[2-[bis[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane,C1C(O1)COC2=CC=CC=C2C(C3=CC=CC=C3OCC4CO4)C5=CC=CC=C5OCC6CO6,"InChI=1S/C28H28O6/c1-4-10-25(32-16-19-13-29-19)22(7-1)28(23-8-2-5-11-26(23)33-17-20-14-30-20)24-9-3-6-12-27(24)34-18-21-15-31-21/h1-12,19-21,28H,13-18H2",UJWXADOOYOEBCW-UHFFFAOYSA-N,C28H28O6,460.5,460.1885886,4.3,65.3,559,0,0,6,12,34,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
4-TERT-BUTYLCALIX(8)ARENE,068971-82-4,434172,"5,11,17,23,29,35,41,47-octatert-butylnonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol",CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=CC(=CC(=C5O)CC6=CC(=CC(=C6O)CC7=C(C(=CC(=C7)C(C)(C)C)CC8=C(C(=CC(=C8)C(C)(C)C)CC9=C(C(=CC(=C9)C(C)(C)C)C2)O)O)O)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)O,"InChI=1S/C88H112O8/c1-81(2,3)65-33-49-25-51-35-66(82(4,5)6)37-53(74(51)90)27-55-39-68(84(10,11)12)41-57(76(55)92)29-59-43-70(86(16,17)18)45-61(78(59)94)31-63-47-72(88(22,23)24)48-64(80(63)96)32-62-46-71(87(19,20)21)44-60(79(62)95)30-58-42-69(85(13,14)15)40-56(77(58)93)28-54-38-67(83(7,8)9)36-52(75(54)91)26-50(34-65)73(49)89/h33-48,89-96H,25-32H2,1-24H3",OLZFZIXORGGLLS-UHFFFAOYSA-N,C88H112O8,1297.8,1296.835721,25.9,162,1850,0,8,8,8,96,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"GLYCEROL 1,2,3-TRIGLYCIDYL ETHER",013236-02-7,25795,"2-[1,3-bis(oxiran-2-ylmethoxy)propan-2-yloxymethyl]oxirane",C1C(O1)COCC(COCC2CO2)OCC3CO3,"InChI=1S/C12H20O6/c1(13-3-10-5-16-10)9(15-7-12-8-18-12)2-14-4-11-6-17-11/h9-12H,1-8H2",SYEWHONLFGZGLK-UHFFFAOYSA-N,C12H20O6,260.28,260.1259884,-1.1,65.3,243,0,0,6,11,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
PENTAETHYLENE GLYCOL DITOSYLATE,041024-91-3,361968,2-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate,CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCOS(=O)(=O)C2=CC=C(C=C2)C,"InChI=1S/C24H34O10S2/c1-21-3-7-23(8-4-21)35(25,26)33-19-17-31-15-13-29-11-12-30-14-16-32-18-20-34-36(27,28)24-9-5-22(2)6-10-24/h3-10H,11-20H2,1-2H3",BUHGDYPBQWWWQS-UHFFFAOYSA-N,C24H34O10S2,546.7,546.1593396,2.3,140,694,0,0,10,19,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAETHYLENE GLYCOL DITOSYLATE,037860-51-8,3706987,2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate,CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOS(=O)(=O)C2=CC=C(C=C2)C,"InChI=1S/C22H30O9S2/c1-19-3-7-21(8-4-19)32(23,24)30-17-15-28-13-11-27-12-14-29-16-18-31-33(25,26)22-9-5-20(2)6-10-22/h3-10H,11-18H2,1-2H3",SLAONPBUWDUSSO-UHFFFAOYSA-N,C22H30O9S2,502.6,502.1331249,2.5,131,650,0,0,9,16,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-(2-PYRIDYL)-5,6-BIS-[2-(5-FURYLSULFONIC ACID)]-1,2,4-TRIAZINE",079551-14-7,133222,"disodium;5-[3-pyridin-2-yl-6-(5-sulfonatofuran-2-yl)-1,2,4-triazin-5-yl]furan-2-sulfonate",C1=CC=NC(=C1)C2=NC(=C(N=N2)C3=CC=C(O3)S(=O)(=O)[O-])C4=CC=C(O4)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C16H10N4O8S2.2Na/c21-29(22,23)12-6-4-10(27-12)14-15(11-5-7-13(28-11)30(24,25)26)19-20-16(18-14)9-3-1-2-8-17-9;;/h1-8H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2",IVLSEFOVPQFJBB-UHFFFAOYSA-L,C16H8N4Na2O8S2,494.4,493.9578941,,209,787,0,0,12,3,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAPHENYLBUTADIENE,001450-63-1,74060,"1,4,4-triphenylbuta-1,3-dienylbenzene",C1=CC=C(C=C1)C(=CC=C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4,InChI=1S/C28H22/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H,KLCLIOISYBHYDZ-UHFFFAOYSA-N,C28H22,358.5,358.1721507,8.6,0,412,0,0,0,5,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
THIONIN ACETATE,078338-22-4,2724414,(7-aminophenothiazin-3-ylidene)azanium acetate,CC(=O)[O-].C1=CC2=C(C=C1N)SC3=CC(=[NH2+])C=CC3=N2,"InChI=1S/C12H9N3S.C2H4O2/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9;1-2(3)4/h1-6,13H,14H2;1H3,(H,3,4)",JOIRQYHDJINFGA-UHFFFAOYSA-N,C14H13N3O2S,287.34,287.0728478,,129,414,0,2,5,0,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,1,1-TRIS(DIPHENYLPHOSPHINOMETHYL)ETHANE",022031-12-5,423856,[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane,CC(CP(C1=CC=CC=C1)C2=CC=CC=C2)(CP(C3=CC=CC=C3)C4=CC=CC=C4)CP(C5=CC=CC=C5)C6=CC=CC=C6,"InChI=1S/C41H39P3/c1-41(32-42(35-20-8-2-9-21-35)36-22-10-3-11-23-36,33-43(37-24-12-4-13-25-37)38-26-14-5-15-27-38)34-44(39-28-16-6-17-29-39)40-30-18-7-19-31-40/h2-31H,32-34H2,1H3",BARUNXKDFNLHEV-UHFFFAOYSA-N,C41H39P3,624.7,624.2264622,9.4,0,619,0,0,0,12,44,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIPHENYL-1,1,3,3-TETRAMETHYLDISILAZANE",003449-26-1,76988,[[[dimethyl(phenyl)silyl]amino]-dimethylsilyl]benzene,C[Si](C)(C1=CC=CC=C1)N[Si](C)(C)C2=CC=CC=C2,"InChI=1S/C16H23NSi2/c1-18(2,15-11-7-5-8-12-15)17-19(3,4)16-13-9-6-10-14-16/h5-14,17H,1-4H3",HIMXYMYMHUAZLW-UHFFFAOYSA-N,C16H23NSi2,285.53,285.1369028,,12,248,0,1,1,4,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,6-DIPHENYL-1,3,5-HEXATRIENE",001720-32-7,5376733,"[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene",C1=CC=C(C=C1)/C=C/C=C/C=C/C2=CC=CC=C2,"InChI=1S/C18H16/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h1-16H/b2-1+,11-5+,12-6+",BOBLSBAZCVBABY-WPWUJOAOSA-N,C18H16,232.3,232.1252005,6.1,0,253,0,0,0,4,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-XYLYLENEBIS(TETRAHYDROTHIOPHENIUM CHLORIDE),052547-07-6,10871845,1-[[4-(thiolan-1-ium-1-ylmethyl)phenyl]methyl]thiolan-1-ium dichloride,C1CC[S+](C1)CC2=CC=C(C=C2)C[S+]3CCCC3.[Cl-].[Cl-],"InChI=1S/C16H24S2.2ClH/c1-2-10-17(9-1)13-15-5-7-16(8-6-15)14-18-11-3-4-12-18;;/h5-8H,1-4,9-14H2;2*1H/q+2;;/p-2",FAISJBNZYMVNGR-UHFFFAOYSA-L,C16H24Cl2S2,351.4,350.0696485,,2,207,0,0,2,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-CYCLOPENTANEDIONE",003859-41-4,77466,"cyclopentane-1,3-dione",C1CC(=O)CC1=O,InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,LOGSONSNCYTHPS-UHFFFAOYSA-N,C5H6O2,98.1,98.03677943,-0.4,34.1,101,0,0,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SULFATHIAZOLE SODIUM,000144-74-1,12285822,"sodium (4-aminophenyl)sulfonyl-(1,3-thiazol-2-yl)azanide",C1=CC(=CC=C1N)S(=O)(=O)[N-]C2=NC=CS2.[Na+],"InChI=1S/C9H8N3O2S2.Na/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9;/h1-6H,10H2;/q-1;+1",GWIJGCIVKLITQK-UHFFFAOYSA-N,C9H8N3NaO2S2,277.3,276.9955631,,111,326,0,1,6,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
EPIDERMAL GROWTH FACTOR HUMAN,062253-63-8,16143379,"(4S)-5-[[(2S)-1-[[(2R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-[[2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-4-carboxy-2-[[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]butanoyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-sulfanylpropanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-5-oxopentanoic acid",CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC8=CC=C(C=C8)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC9=CN=CN9)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)N,"InChI=1S/C270H401N73O83S7/c1-24-134(19)217(262(420)293-112-201(355)298-161(69-74-205(359)360)229(387)301-160(45-35-82-286-269(279)280)228(386)333-192(119-428)255(413)307-162(68-73-198(274)352)230(388)316-176(94-141-54-64-150(350)65-55-141)241(399)304-159(44-34-81-285-268(277)278)227(385)325-186(105-212(373)374)248(406)313-169(87-127(5)6)235(393)302-158(43-31-33-80-272)226(384)318-179(97-144-108-289-156-41-29-27-39-153(144)156)243(401)319-178(96-143-107-288-155-40-28-26-38-152(143)155)242(400)305-164(71-76-207(363)364)231(389)312-170(88-128(7)8)236(394)310-167(267(425)426)46-36-83-287-270(281)282)341-250(408)174(92-139-50-60-148(348)61-51-139)300-203(357)113-292-261(419)214(131(13)14)340-264(422)216(133(17)18)339-259(417)195(122-431)335-246(404)182(101-200(276)354)322-257(415)191(118-427)332-220(378)137(22)297-234(392)175(93-140-52-62-149(349)63-53-140)315-225(383)157(42-30-32-79-271)303-247(405)185(104-211(371)372)326-237(395)168(86-126(3)4)311-219(377)136(21)296-224(382)163(70-75-206(361)362)309-265(423)218(135(20)25-2)342-251(409)177(95-142-56-66-151(351)67-57-142)317-233(391)166(78-85-433-23)308-256(414)194(121-430)336-263(421)215(132(15)16)338-204(358)114-291-223(381)184(103-210(369)370)323-244(402)180(98-145-109-283-124-294-145)320-238(396)171(89-129(9)10)314-258(416)193(120-429)334-240(398)173(91-138-48-58-147(347)59-49-138)299-202(356)111-290-222(380)183(102-209(367)368)324-245(403)181(99-146-110-284-125-295-146)321-254(412)190(117-346)330-239(397)172(90-130(11)12)328-260(418)197-47-37-84-343(197)266(424)196(123-432)337-232(390)165(72-77-208(365)366)306-252(410)189(116-345)331-249(407)187(106-213(375)376)327-253(411)188(115-344)329-221(379)154(273)100-199(275)353/h26-29,38-41,48-67,107-110,124-137,154,157-197,214-218,288-289,344-351,427-432H,24-25,30-37,42-47,68-106,111-123,271-273H2,1-23H3,(H2,274,352)(H2,275,353)(H2,276,354)(H,283,294)(H,284,295)(H,290,380)(H,291,381)(H,292,419)(H,293,420)(H,296,382)(H,297,392)(H,298,355)(H,299,356)(H,300,357)(H,301,387)(H,302,393)(H,303,405)(H,304,399)(H,305,400)(H,306,410)(H,307,413)(H,308,414)(H,309,423)(H,310,394)(H,311,377)(H,312,389)(H,313,406)(H,314,416)(H,315,383)(H,316,388)(H,317,391)(H,318,384)(H,319,401)(H,320,396)(H,321,412)(H,322,415)(H,323,402)(H,324,403)(H,325,385)(H,326,395)(H,327,411)(H,328,418)(H,329,379)(H,330,397)(H,331,407)(H,332,378)(H,333,386)(H,334,398)(H,335,404)(H,336,421)(H,337,390)(H,338,358)(H,339,417)(H,340,422)(H,341,408)(H,342,409)(H,359,360)(H,361,362)(H,363,364)(H,365,366)(H,367,368)(H,369,370)(H,371,372)(H,373,374)(H,375,376)(H,425,426)(H4,277,278,285)(H4,279,280,286)(H4,281,282,287)/t134-,135-,136-,137-,154-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,196-,197-,214-,215-,216-,217-,218-/m0/s1",GVUGOAYIVIDWIO-UFWWTJHBSA-N,C270H401N73O83S7,6222,6219.751361,-17.3,2550,15800,0,94,98,203,433,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,8-DIPHENYL-1,3,5,7-OCTATETRAENE",003029-40-1,5377501,"[(1E,3E,5E,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene",C1=CC=C(C=C1)/C=C/C=C/C=C/C=C/C2=CC=CC=C2,"InChI=1S/C20H18/c1(3-7-13-19-15-9-5-10-16-19)2-4-8-14-20-17-11-6-12-18-20/h1-18H/b3-1+,4-2+,13-7+,14-8+",ZENGMMQJMCPHTK-FPPPDJHPSA-N,C20H18,258.4,258.1408506,6.7,0,308,0,0,0,5,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIBENZYL PHOSPHITE,017176-77-1,6334615,oxo-bis(phenylmethoxy)phosphanium,C1=CC=C(C=C1)CO[P+](=O)OCC2=CC=CC=C2,"InChI=1S/C14H14O3P/c15-18(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2/q+1",RQKYHDHLEMEVDR-UHFFFAOYSA-N,C14H14O3P+,261.23,261.0680563,3,35.5,221,1,0,3,6,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
ACENAPHTHENEQUINONE,000082-86-0,6724,"acenaphthylene-1,2-dione",C1=CC2=C3C(=C1)C(=O)C(=O)C3=CC=C2,InChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H,AFPRJLBZLPBTPZ-UHFFFAOYSA-N,C12H6O2,182.17,182.0367794,1.9,34.1,267,0,0,2,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIPOTASSIUM DODECAHYDRODODECABORATE,012008-77-4,102600761,,[B-]1[B][B][B][B][B-][B][B][B][B]1.O.[K+].[K+],InChI=1S/B10.2K.H2O/c1-2-4-6-8-10-9-7-5-3-1;;;/h;;;1H2/q-2;2*+1;,SQHCLBNZKJKJOG-UHFFFAOYSA-N,B10H2K2O,204.3,204.038293,,1,33,0,1,3,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-DIBENZOCARBAZOLE",000243-28-7,9202,5H-benzo[b]carbazole,C1=CC=C2C=C3C(=CC2=C1)C4=CC=CC=C4N3,"InChI=1S/C16H11N/c1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16/h1-10,17H",ROEOVWIEALGNLM-UHFFFAOYSA-N,C16H11N,217.26,217.0891494,4.3,15.8,287,0,1,0,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
4-(N-MALEIMIDO) BENZOPHENONE,092944-71-3,146390,"1-(4-benzoylphenyl)pyrrole-2,5-dione",C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N3C(=O)C=CC3=O,InChI=1S/C17H11NO3/c19-15-10-11-16(20)18(15)14-8-6-13(7-9-14)17(21)12-4-2-1-3-5-12/h1-11H,OZIZEXQRIOURIJ-UHFFFAOYSA-N,C17H11NO3,277.27,277.0738932,2.4,54.5,450,0,0,3,3,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYLENE GLYCOL DI-P-TOSYLATE,006315-52-2,228289,2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate,CC1=CC=C(C=C1)S(=O)(=O)OCCOS(=O)(=O)C2=CC=C(C=C2)C,"InChI=1S/C16H18O6S2/c1-13-3-7-15(8-4-13)23(17,18)21-11-12-22-24(19,20)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3",LZIPBJBQQPZLOR-UHFFFAOYSA-N,C16H18O6S2,370.4,370.0544806,2.9,104,517,0,0,6,7,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM TETRAKIS(1-IMIDAZOLYL)BORATE,068146-65-6,23681131,sodium tetra(imidazol-1-yl)boranuide,[B-](N1C=CN=C1)(N2C=CN=C2)(N3C=CN=C3)N4C=CN=C4.[Na+],"InChI=1S/C12H12BN8.Na/c1-5-18(9-14-1)13(19-6-2-15-10-19,20-7-3-16-11-20)21-8-4-17-12-21;/h1-12H;/q-1;+1",OVRFSDYWKKOQMW-UHFFFAOYSA-N,C12H12BN8Na,302.08,302.1175669,,71.3,306,0,0,5,0,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-PYRENEBUTYRIC ACID N-HYDROXYSUCCINIMIDE ESTER,114932-60-4,130767,"(2,5-dioxopyrrolidin-1-yl) 4-pyren-1-ylbutanoate",C1CC(=O)N(C1=O)OC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2,"InChI=1S/C24H19NO4/c26-20-13-14-21(27)25(20)29-22(28)6-2-3-15-7-8-18-10-9-16-4-1-5-17-11-12-19(15)24(18)23(16)17/h1,4-5,7-12H,2-3,6,13-14H2",YBNMDCCMCLUHBL-UHFFFAOYSA-N,C24H19NO4,385.4,385.1314081,4.6,63.7,660,0,0,4,6,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DI(3-METHYLPIPERIDINO)METHANE,068922-17-8,111445,3-methyl-1-[(3-methylpiperidin-1-yl)methyl]piperidine,CC1CCCN(C1)CN2CCCC(C2)C,"InChI=1S/C13H26N2/c1-12-5-3-7-14(9-12)11-15-8-4-6-13(2)10-15/h12-13H,3-11H2,1-2H3",KLFHRQOZJWCFOI-UHFFFAOYSA-N,C13H26N2,210.36,210.2095988,3,6.5,173,0,0,2,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIPHENYLDITHIOPHOSPHONIC ACID,001015-38-9,129564,diphenyl-sulfanyl-sulfanylidene-lambda5-phosphane,C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)S,"InChI=1S/C12H11PS2/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,14,15)",CLUOCCWZZAGLPM-UHFFFAOYSA-N,C12H11PS2,250.3,250.0039797,4.7,33.1,218,0,1,2,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"4-AMINO-1,2-NAPHTHOQUINONE HEMIHYDRATE",020814-38-4,190235,"bis(4-aminonaphthalene-1,2-dione);hydrate",C1=CC=C2C(=C1)C(=CC(=O)C2=O)N.C1=CC=C2C(=C1)C(=CC(=O)C2=O)N.O,"InChI=1S/2C10H7NO2.H2O/c2*11-8-5-9(12)10(13)7-4-2-1-3-6(7)8;/h2*1-5H,11H2;1H2",RVCSVNXPEGBQOI-UHFFFAOYSA-N,C20H16N2O5,364.4,364.1059216,,121,293,0,3,7,0,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BETA-TETRALONE,000530-93-8,68266,"3,4-dihydro-1H-naphthalen-2-one",C1CC2=CC=CC=C2CC1=O,"InChI=1S/C10H10O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-7H2",KCKZIWSINLBROE-UHFFFAOYSA-N,C10H10O,146.19,146.0731649,1.6,17.1,162,0,0,1,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
THIOCHROME,000092-35-3,66706,"2-(6,12-dimethyl-4-thia-2,7,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),2,5,9,11-pentaen-5-yl)ethanol",CC1=C(SC2=NC3=NC(=NC=C3CN12)C)CCO,"InChI=1S/C12H14N4OS/c1-7-10(3-4-17)18-12-15-11-9(6-16(7)12)5-13-8(2)14-11/h5,17H,3-4,6H2,1-2H3",GTQXMAIXVFLYKF-UHFFFAOYSA-N,C12H14N4OS,262.33,262.0888323,0.6,86.9,409,0,1,5,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BIS(DIPHENYLPHOSPHINO)ACETYLENE,005112-95-8,78789,2-diphenylphosphanylethynyl(diphenyl)phosphane,C1=CC=C(C=C1)P(C#CP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4,InChI=1S/C26H20P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,FOWZHJNBFVLJGP-UHFFFAOYSA-N,C26H20P2,394.4,394.1040246,6.5,0,425,0,0,0,6,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
O6-BENZYLGUANINE,019916-73-5,4578,6-phenylmethoxy-7H-purin-2-amine,C1=CC=C(C=C1)COC2=NC(=NC3=C2NC=N3)N,"InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)",KRWMERLEINMZFT-UHFFFAOYSA-N,C12H11N5O,241.25,241.09636,1.2,89.7,271,0,2,5,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TREMULACIN,029836-40-6,442544,"[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyl)oxymethyl]phenoxy]oxan-3-yl] benzoate",C1CC(=O)C(C=C1)(C(=O)OCC2=CC=CC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)C4=CC=CC=C4)O,"InChI=1S/C27H28O11/c28-14-19-21(30)22(31)23(38-24(32)16-8-2-1-3-9-16)25(37-19)36-18-11-5-4-10-17(18)15-35-26(33)27(34)13-7-6-12-20(27)29/h1-5,7-11,13,19,21-23,25,28,30-31,34H,6,12,14-15H2/t19-,21-,22+,23-,25-,27?/m1/s1",RCKCYCDBDYUIGM-LFMHJWGUSA-N,C27H28O11,528.5,528.1631617,1.7,169,869,0,4,11,10,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-ETHYL-3,4,6,7,12,12B-HEXAHYDRO-1H-INDOLO(2,3-A)QUINOLIZIN-2-ONE",004925-51-3,4170296,"3-ethyl-3,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-one",CCC1CN2CCC3=C(C2CC1=O)NC4=CC=CC=C34,"InChI=1S/C17H20N2O/c1-2-11-10-19-8-7-13-12-5-3-4-6-14(12)18-17(13)15(19)9-16(11)20/h3-6,11,15,18H,2,7-10H2,1H3",HIBBYIKNXPWWOI-UHFFFAOYSA-N,C17H20N2O,268.35,268.1575633,2.4,36.1,396,0,1,2,1,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CROCONIC ACID,000488-86-8,546874,"4,5-dihydroxycyclopent-4-ene-1,2,3-trione",C1(=C(C(=O)C(=O)C1=O)O)O,InChI=1S/C5H2O5/c6-1-2(7)4(9)5(10)3(1)8/h6-7H,RBSLJAJQOVYTRQ-UHFFFAOYSA-N,C5H2O5,142.07,141.9902232,-0.8,91.7,246,0,2,5,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BERGENIN MONOHYDRATE,000477-90-7,66065,"(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one",COC1=C(C=C2C(=C1O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC2=O)O,"InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1",YWJXCIXBAKGUKZ-HJJNZUOJSA-N,C14H16O9,328.27,328.0794321,-1,146,458,0,5,9,2,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N-ALPHA-FMOC-NG-2,2,5,7,8-PENTAMETHYL-CHROMAN-6-SULFONYL-L-ARGININE",119831-72-0,3010429,"(2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid",CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N)C,"InChI=1S/C35H42N4O7S/c1-20-21(2)31(22(3)23-16-17-35(4,5)46-30(20)23)47(43,44)39-33(36)37-18-10-15-29(32(40)41)38-34(42)45-19-28-26-13-8-6-11-24(26)25-12-7-9-14-27(25)28/h6-9,11-14,28-29H,10,15-19H2,1-5H3,(H,38,42)(H,40,41)(H3,36,37,39)/t29-/m0/s1",QTWZCODKTSUZJN-LJAQVGFWSA-N,C35H42N4O7S,662.8,662.2774209,5.5,178,1230,0,4,8,12,47,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(BENZYLOXYCARBONYLOXY) SUCCINIMIDE,013139-17-8,83172,"benzyl (2,5-dioxopyrrolidin-1-yl) carbonate",C1CC(=O)N(C1=O)OC(=O)OCC2=CC=CC=C2,"InChI=1S/C12H11NO5/c14-10-6-7-11(15)13(10)18-12(16)17-8-9-4-2-1-3-5-9/h1-5H,6-8H2",MJSHDCCLFGOEIK-UHFFFAOYSA-N,C12H11NO5,249.22,249.0637225,1.1,72.9,332,0,0,5,5,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
NARINGIN,010236-47-2,442428,"(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one",C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O,"InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1",DFPMSGMNTNDNHN-ZPHOTFPESA-N,C27H32O14,580.5,580.1792057,-0.5,225,884,0,8,14,6,41,,922.00 to 926.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BIS(BENZYLOXY)-2-PROPANOL",006972-79-8,247614,"1,3-bis(phenylmethoxy)propan-2-ol",C1=CC=C(C=C1)COCC(COCC2=CC=CC=C2)O,"InChI=1S/C17H20O3/c18-17(13-19-11-15-7-3-1-4-8-15)14-20-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2",ARLSYSVVBAMYKA-UHFFFAOYSA-N,C17H20O3,272.34,272.1412445,2.3,38.7,208,0,1,3,8,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,3,3',3'-TETRAMETHYL-1,1'-SPIROBISINDANE-5,5',6,6'-TETROL",000077-08-7,66162,"1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5',6,6'-tetrol",CC1(CC2(CC(C3=CC(=C(C=C32)O)O)(C)C)C4=CC(=C(C=C41)O)O)C,"InChI=1S/C21H24O4/c1-19(2)9-21(13-7-17(24)15(22)5-11(13)19)10-20(3,4)12-6-16(23)18(25)8-14(12)21/h5-8,22-25H,9-10H2,1-4H3",POFMQEVZKZVAPQ-UHFFFAOYSA-N,C21H24O4,340.4,340.1674592,5.1,80.9,494,0,4,4,0,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
OXACYCLOHEPTADECAN-2-ONE,000109-29-5,7984,oxacycloheptadecan-2-one,C1CCCCCCCC(=O)OCCCCCCC1,InChI=1S/C16H30O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1-15H2,LOKPJYNMYCVCRM-UHFFFAOYSA-N,C16H30O2,254.41,254.2245802,6.3,26.3,201,0,0,2,0,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,4-CYCLOPENTADIEN-1-ONE, 2,3,4,5-TETRAPHENYL-",000479-33-4,68068,"2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one",C1=CC=C(C=C1)C2=C(C(=O)C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5,InChI=1S/C29H20O/c30-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(29)24-19-11-4-12-20-24/h1-20H,PLGPSDNOLCVGSS-UHFFFAOYSA-N,C29H20O,384.5,384.1514153,6.4,17.1,613,0,0,1,4,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,6-ACRIDINEDIAMINE, SULFATE (2:1)",001811-28-5,9849425,"bis(acridine-3,6-diamine);sulfuric acid",C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.OS(=O)(=O)O,"InChI=1S/2C13H11N3.H2O4S/c2*14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;1-5(2,3)4/h2*1-7H,14-15H2;(H2,1,2,3,4)",YADYXCVYLIKQJX-UHFFFAOYSA-N,C26H24N6O4S,516.6,516.1579744,,213,313,0,6,10,0,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"C.I. Mordant Brown 1, Monosodium Salt",003564-15-6,137185195,,C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)N=NC3=CC(=C(C=C3N)N)N=NC4=C(C=CC(=C4)[N+](=O)[O-])O.[Na],"InChI=1S/C22H17N7O6S.Na/c23-15-10-16(24)19(27-28-20-9-12(29(31)32)7-8-21(20)30)11-18(15)26-25-17-5-1-4-14-13(17)3-2-6-22(14)36(33,34)35;/h1-11,30H,23-24H2,(H,33,34,35);",FYPOANGYTWRVNP-UHFFFAOYSA-N,C22H17N7NaO6S,530.5,530.0858717,,230,938,0,4,12,5,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,10-PHENANTHROLINE-4,7-DIOL",003922-40-5,77524,"1,10-dihydro-1,10-phenanthroline-4,7-dione",C1=CC2=C(C3=C1C(=O)C=CN3)NC=CC2=O,"InChI=1S/C12H8N2O2/c15-9-3-5-13-11-7(9)1-2-8-10(16)4-6-14-12(8)11/h1-6H,(H,13,15)(H,14,16)",SLIBCJURSADKPV-UHFFFAOYSA-N,C12H8N2O2,212.2,212.0585775,1.2,58.2,362,0,2,4,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHACYCLINE HYDROCHLORIDE,003963-95-9,54685047,"(4S,4aR,5S,5aR,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride",CN(C)[C@H]1[C@@H]2[C@H]([C@@H]3C(=C)C4=C(C(=CC=C4)O)C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O.Cl,"InChI=1S/C22H22N2O8.ClH/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-6,10,14-15,17,25-27,30,32H,1H2,2-3H3,(H2,23,31);1H/t10-,14-,15+,17+,22+;/m1./s1",VXPSARQTYDZXAO-CCHMMTNSSA-N,C22H23ClN2O8,478.9,478.1142934,,182,998,0,7,9,2,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2'-OXYBISETHANOL BIS(4-METHYLBENZENESULFONATE)",007460-82-4,316659,2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethyl 4-methylbenzenesulfonate,CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOS(=O)(=O)C2=CC=C(C=C2)C,"InChI=1S/C18H22O7S2/c1-15-3-7-17(8-4-15)26(19,20)24-13-11-23-12-14-25-27(21,22)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3",VYVPNTJBGPQTFA-UHFFFAOYSA-N,C18H22O7S2,414.5,414.0806954,2.8,113,562,0,0,7,10,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-Dioxane-2,6-Dione",004480-83-5,78232,"1,4-dioxane-2,6-dione",C1C(=O)OC(=O)CO1,InChI=1S/C4H4O4/c5-3-1-7-2-4(6)8-3/h1-2H2,PIYNUZCGMLCXKJ-UHFFFAOYSA-N,C4H4O4,116.07,116.0109586,-0.4,52.6,114,0,0,4,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Isovitexin,038953-85-4,162350,"5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one",C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O,"InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m1/s1",MYXNWGACZJSMBT-VJXVFPJBSA-N,C21H20O10,432.4,432.1056468,0.2,177,690,0,7,10,3,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CIS-VINYLENEBIS(DIPHENYLPHOSPHINE),000983-80-2,2733415,[(Z)-2-diphenylphosphanylethenyl]-diphenylphosphane,C1=CC=C(C=C1)P(/C=C\P(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4,InChI=1S/C26H22P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H/b22-21-,NCKJIJSEWKIXAT-DQRAZIAOSA-N,C26H22P2,396.4,396.1196747,5.9,0,371,0,0,0,6,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-AMINOPHTHALHYDRAZIDE, SODIUM SALT HEMIHYDRATE",020666-12-0,15480750,"sodium 8-amino-2H-phthalazin-3-ide-1,4-dione",C1=CC2=C(C(=C1)N)C(=O)N[N-]C2=O.[Na+],"InChI=1S/C8H7N3O2.Na/c9-5-3-1-2-4-6(5)8(13)11-10-7(4)12;/h1-3H,(H4,9,10,11,12,13);/q;+1/p-1",RVJVDCVIJCBUTH-UHFFFAOYSA-M,C8H6N3NaO2,199.14,199.0357707,,73.2,259,0,2,4,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
APIIN,026544-34-3,5280746,"7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one",C1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)(CO)O,"InChI=1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2/t18-,20-,21+,22-,23+,24-,25+,26-/m1/s1",NTDLXWMIWOECHG-YRCFQSNFSA-N,C26H28O14,564.5,564.1479056,-0.4,225,923,0,8,14,7,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"POLY(VINYLBENZYL CHLORIDE), 60/40 MIXTURE OF 3- AND 4- ISOMERS",121961-20-4,71311507,"1-[4,6-bis[4-(chloromethyl)phenyl]hexan-2-yl]-4-(chloromethyl)benzene",CC(CC(CCC1=CC=C(C=C1)CCl)C2=CC=C(C=C2)CCl)C3=CC=C(C=C3)CCl,"InChI=1S/C27H29Cl3/c1-20(25-11-7-23(18-29)8-12-25)16-27(26-13-9-24(19-30)10-14-26)15-6-21-2-4-22(17-28)5-3-21/h2-5,7-14,20,27H,6,15-19H2,1H3",QBVHDIKGDQTDMC-UHFFFAOYSA-N,C27H29Cl3,459.9,458.133484,8.5,0,443,0,0,0,10,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIHYDROFOLATE,004033-27-6,135398604,"(2S)-2-[[4-[(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid",C1C(=NC2=C(N1)N=C(NC2=O)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,"InChI=1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t12-/m0/s1",OZRNSSUDZOLUSN-LBPRGKRZSA-N,C19H21N7O6,443.4,443.1553314,-0.9,208,889,0,7,10,9,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-(5-FLUORO-2,4-DINITROANILINO)-PROXYL, FREE RADICAL",073784-45-9,2724326,"N-(5-fluoro-2,4-dinitrophenyl)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-amine",CC1(CC(C(N1O)(C)C)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])F)C,"InChI=1S/C14H19FN4O5/c1-13(2)7-12(14(3,4)19(13)24)16-9-5-8(15)10(17(20)21)6-11(9)18(22)23/h5-6,12,16,24H,7H2,1-4H3",DGKVCGWEHRKMEB-UHFFFAOYSA-N,C14H19FN4O5,342.32,342.1339479,3.2,127,518,0,2,8,2,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3'-PHENYL-3'H-CYCLOPROPA[8,25][5,6]FULLERENE-C70-D5H(6)-3'-BUTANOIC ACID, METHYL",609771-63-3,71777692,,COC(=O)CCCC1(C23C14C5=C6C7=C8C9=C1C%10=C%11C9=C9C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%20=C%21C%22=C%23C%24=C%25C%26=C%27C%28=C(C%14=C%14C%12=C%11C%11=C%14C%28=C%26C%12=C%11C%10=C%10C%12=C%25C%23=C%11C%10=C1C7=C%11C%22=C6C4=C%21C%19=C2C%17=C1C%15=C%13C2=C9C8=C5C2=C31)C%16=C%18C%27=C%24%20)C1=CC=CC=C1,"InChI=1S/C82H14O2/c1-84-11(83)8-5-9-80(10-6-3-2-4-7-10)81-76-68-60-50-40-33-24-18-12-13-15-17-16-14(12)20-27-22(16)31-32-23(17)28-21(15)30-26(19(13)24)35-41(33)51(50)61-55-45(35)37(30)47-39(28)49-43(32)53-52-42(31)48-38(27)46-36-29(20)25(18)34(40)44(36)54(60)64-58(46)66-56(48)62(52)70-71-63(53)57(49)67-59(47)65(55)73(77(81)69(61)68)75(67)79(71)82(80,81)78(70)74(66)72(64)76/h2-4,6-7H,5,8-9H2,1H3",AZSFNTBGCTUQFX-UHFFFAOYSA-N,C82H14O2,1031,1030.09938,21.4,26.3,4760,0,0,2,6,84,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
URIDINE 5'-DIPHOSPHO-N-ACETYLGLUCOSAMINE SODIUM SALT,091183-98-1,127054644,"disodium;[[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphate",CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1C([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)OP(=O)(O)OP(=O)([O-])[O-])CO)O)O.[Na+].[Na+],"InChI=1S/C17H27N3O17P2.2Na/c1-5(22)18-8-10(25)9(24)6(4-21)34-13(8)15(36-39(32,33)37-38(29,30)31)14-11(26)12(27)16(35-14)20-3-2-7(23)19-17(20)28;;/h2-3,6,8-16,21,24-27H,4H2,1H3,(H,18,22)(H,32,33)(H,19,23,28)(H2,29,30,31);;/q;2*+1/p-2/t6-,8-,9-,10-,11+,12-,13+,14+,15?,16-;;/m1../s1",QPVVSHDMHSMGCY-CDXPOITNSA-L,C17H25N3Na2O17P2,651.3,651.0454589,,317,1070,0,8,17,8,41,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-(2H-BENZOTRIAZOL-2-YL)-4,6-BIS(1-METHYL-1-PHENYLETHYL)PHENOL",070321-86-7,112412,"2-(benzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol",CC(C)(C1=CC=CC=C1)C2=CC(=C(C(=C2)N3N=C4C=CC=CC4=N3)O)C(C)(C)C5=CC=CC=C5,"InChI=1S/C30H29N3O/c1-29(2,21-13-7-5-8-14-21)23-19-24(30(3,4)22-15-9-6-10-16-22)28(34)27(20-23)33-31-25-17-11-12-18-26(25)32-33/h5-20,34H,1-4H3",OLFNXLXEGXRUOI-UHFFFAOYSA-N,C30H29N3O,447.6,447.2310626,8.6,50.9,652,0,1,3,5,34,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
MPS (NHS-3-MALEIMIDOPROPIONATE),055750-62-4,4620597,"(2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate",C1CC(=O)N(C1=O)OC(=O)CCN2C(=O)C=CC2=O,"InChI=1S/C11H10N2O6/c14-7-1-2-8(15)12(7)6-5-11(18)19-13-9(16)3-4-10(13)17/h1-2H,3-6H2",JKHVDAUOODACDU-UHFFFAOYSA-N,C11H10N2O6,266.21,266.053886,-1.6,101,475,0,0,6,5,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"GALLIUM (III) 2,3-NAPHTHALOCYANINE CHLORIDE",142700-78-5,16685076,"54-chloro-13,26,39,52,53,55,56,57-octaza-54-gallatetradecacyclo[25.25.3.114,25.140,51.02,11.04,9.012,53.015,24.017,22.028,37.030,35.038,55.041,50.043,48]heptapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25(57),26,28,30,32,34,36,38,40(56),41,43,45,47,49,51-heptacosaene",C1=CC=C2C=C3C(=CC2=C1)C4=NC5=C6C=C7C=CC=CC7=CC6=C8N5[Ga](N9C(=NC3=N4)C1=CC2=CC=CC=C2C=C1C9=NC1=NC(=N8)C2=CC3=CC=CC=C3C=C21)Cl,InChI=1S/C48H24N8.ClH.Ga/c1-2-10-26-18-34-33(17-25(26)9-1)41-49-42(34)54-44-37-21-29-13-5-6-14-30(29)22-38(37)46(51-44)56-48-40-24-32-16-8-7-15-31(32)23-39(40)47(52-48)55-45-36-20-28-12-4-3-11-27(28)19-35(36)43(50-45)53-41;;/h1-24H;1H;/q-2;;+3/p-1,NNCKENWXWWOUHN-UHFFFAOYSA-M,C48H24ClGaN8,817.9,816.10682,,82.3,1660,0,0,2,0,58,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
5-CARBOXYFLUORESCEIN SUCCINIMIDYL ESTER,092557-80-7,2762599,"(2,5-dioxopyrrolidin-1-yl) 3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylate",C1CC(=O)N(C1=O)OC(=O)C2=CC3=C(C=C2)C4(C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O)OC3=O,"InChI=1S/C25H15NO9/c27-13-2-5-17-19(10-13)33-20-11-14(28)3-6-18(20)25(17)16-4-1-12(9-15(16)24(32)34-25)23(31)35-26-21(29)7-8-22(26)30/h1-6,9-11,27-28H,7-8H2",GECIDMICWWDIBO-UHFFFAOYSA-N,C25H15NO9,473.4,473.0746811,2.4,140,894,0,2,9,3,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BENZENECYCLOPENTADIENYLIRON(II) HEXAFLUOROPHOSPHATE,012176-31-7,71310256,"benzene;cyclopenta-1,3-diene;iron(2+);hexafluorophosphate",[CH-]1C=CC=C1.C1=CC=CC=C1.F[P-](F)(F)(F)(F)F.[Fe+2],"InChI=1S/C6H6.C5H5.F6P.Fe/c1-2-4-6-5-3-1;1-2-4-5-3-1;1-7(2,3,4,5)6;/h1-6H;1-5H;;/q;2*-1;+2",INUZSRWRIYJJNI-UHFFFAOYSA-N,C11H11F6FeP,344.01,343.985192,,0,89,0,0,8,0,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6,13-PENTACENEDIONE",003029-32-1,76415,"pentacene-6,13-dione",C1=CC=C2C=C3C(=CC2=C1)C(=O)C4=CC5=CC=CC=C5C=C4C3=O,InChI=1S/C22H12O2/c23-21-17-9-13-5-1-2-6-14(13)10-18(17)22(24)20-12-16-8-4-3-7-15(16)11-19(20)21/h1-12H,UFCVADNIXDUEFZ-UHFFFAOYSA-N,C22H12O2,308.3,308.0837296,5.4,34.1,446,0,0,2,0,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-(4,5-DIMETHYLTHIAZOL-2-YL)-3,5-DIPHENYLFORMAZAN",057360-69-7,3634887,"N'-anilino-N-[(4,5-dimethyl-1,3-thiazol-2-yl)imino]benzenecarboximidamide",CC1=C(SC(=N1)N=NC(=NNC2=CC=CC=C2)C3=CC=CC=C3)C,"InChI=1S/C18H17N5S/c1-13-14(2)24-18(19-13)23-22-17(15-9-5-3-6-10-15)21-20-16-11-7-4-8-12-16/h3-12,20H,1-2H3",GIFKVQOPAJDJLO-UHFFFAOYSA-N,C18H17N5S,335.4,335.1204667,5.9,90.2,441,0,1,5,5,24,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TRI-2-FURYLPHOSPHINE,005518-52-5,521585,tris(furan-2-yl)phosphane,C1=COC(=C1)P(C2=CC=CO2)C3=CC=CO3,InChI=1S/C12H9O3P/c1-4-10(13-7-1)16(11-5-2-8-14-11)12-6-3-9-15-12/h1-9H,DLQYXUGCCKQSRJ-UHFFFAOYSA-N,C12H9O3P,232.17,232.0289311,2.8,39.4,198,0,0,3,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DIPHENYLCYLOPROPENONE,000886-38-4,65057,"2,3-diphenylcycloprop-2-en-1-one",C1=CC=C(C=C1)C2=C(C2=O)C3=CC=CC=C3,InChI=1S/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10H,HCIBTBXNLVOFER-UHFFFAOYSA-N,C15H10O,206.24,206.0731649,3.3,17.1,284,0,0,1,2,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
BENZYL COELENTERAZINE,050909-86-9,135398664,"2,8-dibenzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol",C1=CC=C(C=C1)CC2=C(N3C=C(N=C(C3=N2)CC4=CC=CC=C4)C5=CC=C(C=C5)O)O,"InChI=1S/C26H21N3O2/c30-21-13-11-20(12-14-21)24-17-29-25(22(27-24)15-18-7-3-1-4-8-18)28-23(26(29)31)16-19-9-5-2-6-10-19/h1-14,17,30-31H,15-16H2",MGTUVUVRFJVHAL-UHFFFAOYSA-N,C26H21N3O2,407.5,407.1633769,5.9,70.7,555,0,2,4,5,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-ETHYL-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM BROMIDE,054016-70-5,9964923,"2-(3-ethyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol bromide",CC[N+]1=CSC(=C1C)CCO.[Br-],"InChI=1S/C8H14NOS.BrH/c1-3-9-6-11-8(4-5-10)7(9)2;/h6,10H,3-5H2,1-2H3;1H/q+1;/p-1",BDQRQMLWZJQQKS-UHFFFAOYSA-M,C8H14BrNOS,252.17,250.99795,,52.4,121,0,1,3,3,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"MANGANESE(III) 5,10,15,20-TETRA(4-PYRIDYL)-21H,23H-PORPHINE CHLORIDE TETRAKIS(METHOCHLORIDE)",125565-45-9,49765035,"manganese(3+);5,10,15-tris(1-methylpyridin-1-ium-4-yl)-20-(1-methyl-4-pyridinylidene)porphyrin-22-ide;pentachloride",CN1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)C=C4)C9=CC=[N+](C=C9)C)C=C3)C=C1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Mn+3],"InChI=1S/C44H36N8.5ClH.Mn/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;;;;;;/h5-28H,1-4H3;5*1H;/q+2;;;;;;+3/p-5",OHZZTXYKLXZFSZ-UHFFFAOYSA-I,C44H36Cl5MnN8,909,908.08565,,53,1500,0,0,10,3,58,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BORON SUBPHTHALOCYANINE CHLORIDE,036530-06-0,11826144,"12-chloro-2,11,13,22,30,31-hexaza-12-boraoctacyclo[21.6.1.110,14.03,11.04,9.013,21.015,20.024,29]hentriaconta-1,3,5,7,9,14(31),15,17,19,21,23(30),24,26,28-tetradecaene",B1(N2C3=C4C=CC=CC4=C2N=C5N1C(=NC6=NC(=N3)C7=CC=CC=C76)C8=CC=CC=C85)Cl,InChI=1S/C24H12BClN6/c26-25-31-21-15-9-3-5-11-17(15)23(31)30-24-18-12-6-4-10-16(18)22(32(24)25)29-20-14-8-2-1-7-13(14)19(27-20)28-21/h1-12H,IFJKCEPOUBWFFD-UHFFFAOYSA-N,C24H12BClN6,430.7,430.0905023,,57.6,903,0,0,2,0,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DICHLOROBIS[(2,6-DIISOPROPYLPHENYL)IMIDO](1,2-DIMETHOXYETHANE)MOLYBDENUM(VI)",126949-60-8,11814077,"dichloro-bis[[2,6-di(propan-2-yl)phenyl]imino]molybdenum;1,2-dimethoxyethane",CC(C)C1=C(C(=CC=C1)C(C)C)N=[Mo](=NC2=C(C=CC=C2C(C)C)C(C)C)(Cl)Cl.COCCOC,"InChI=1S/2C12H17N.C4H10O2.2ClH.Mo/c2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-5-3-4-6-2;;;/h2*5-9H,1-4H3;3-4H2,1-2H3;2*1H;/q;;;;;+2/p-2",HYZBNVVVUKPSEN-UHFFFAOYSA-L,C28H44Cl2MoN2O2,607.5,608.183388,,43.2,557,0,0,4,9,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"TRIS[5-METHYL-2-(2-PYRIDINYL)PHENYL-C,N]IRIDIUM",149005-33-4,22283734,iridium(3+);tris(2-(4-methylphenyl)pyridine),CC1=CC=C(C=C1)C2=CC=CC=N2.CC1=CC=C(C=C1)C2=CC=CC=N2.CC1=CC=C(C=C1)C2=CC=CC=N2.[Ir+3],"InChI=1S/3C12H11N.Ir/c3*1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;/h3*2-9H,1H3;/q;;;+3",YERGTYJYQCLVDM-UHFFFAOYSA-N,C36H33IrN3+3,699.9,700.23037,,38.7,147,3,0,3,3,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
8-HYDROXY GUANOSINE,003868-31-3,135407175,"2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione",C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)O,"InChI=1S/C10H13N5O6/c11-9-13-6-3(7(19)14-9)12-10(20)15(6)8-5(18)4(17)2(1-16)21-8/h2,4-5,8,16-18H,1H2,(H,12,20)(H3,11,13,14,19)/t2-,4-,5-,8-/m1/s1",FPGSEBKFEJEOSA-UMMCILCDSA-N,C10H13N5O6,299.24,299.0865832,-3.6,170,574,0,6,7,2,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
THIAZOLE ORANGE,107091-89-4,6438345,"4-methylbenzenesulfonate;(2Z)-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole",CC1=CC=C(C=C1)S(=O)(=O)[O-].CN\1C2=CC=CC=C2S/C1=C\C3=CC=[N+](C4=CC=CC=C34)C,"InChI=1S/C19H17N2S.C7H8O3S/c1-20-12-11-14(15-7-3-4-8-16(15)20)13-19-21(2)17-9-5-6-10-18(17)22-19;1-6-2-4-7(5-3-6)11(8,9)10/h3-13H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",ACOJCCLIDPZYJC-UHFFFAOYSA-M,C26H24N2O3S2,476.6,476.122835,,98,628,0,0,5,1,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DIFLUORO-4-HYDROXYBENZYLIDENE IMIDAZOLINONE (DFHBI)",1241390-29-3,70808995,"(5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2,3-dimethylimidazol-4-one",CC1=N/C(=C\C2=CC(=C(C(=C2)F)O)F)/C(=O)N1C,"InChI=1S/C12H10F2N2O2/c1-6-15-10(12(18)16(6)2)5-7-3-8(13)11(17)9(14)4-7/h3-5,17H,1-2H3/b10-5-",ZDDIJYXDUBFLID-YHYXMXQVSA-N,C12H10F2N2O2,252.22,252.0710339,1.4,52.9,410,0,1,5,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
RUCL2[(S)-(DM-BINAP)][(S)-DAIPEN],220114-01-2,10964284,"[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;(2S)-1,1-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine;dichlororuthenium",CC1=CC(=CC(=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.CC(C)[C@@H](C(C1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)N)N.Cl[Ru]Cl,"InChI=1S/C52H48P2.C19H26N2O2.2ClH.Ru/c1-33-21-34(2)26-43(25-33)53(44-27-35(3)22-36(4)28-44)49-19-17-41-13-9-11-15-47(41)51(49)52-48-16-12-10-14-42(48)18-20-50(52)54(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46;1-13(2)18(20)19(21,14-5-9-16(22-3)10-6-14)15-7-11-17(23-4)12-8-15;;;/h9-32H,1-8H3;5-13,18H,20-21H2,1-4H3;2*1H;/q;;;;+2/p-2/t;18-;;;/m.0.../s1",UTQCNMRDWASSEC-OGLOXHGMSA-L,C71H74Cl2N2O2P2Ru,1221.3,1220.364599,,70.5,1320,0,2,4,13,80,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-[2-[2-CHLORO-3-[2-(2,6-DIPHENYL-4H-THIOPYRAN-4-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL]ETHENYL]-2,6-DIPHENYLTHIOPYRYLIUM TETRAFLUOROBORATE(1-) (1:1)",155614-01-0,71311491,"4-[(E)-2-[(3Z)-2-chloro-3-[2-(2,6-diphenylthiopyran-4-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-2,6-diphenylthiopyrylium tetrafluoroborate",[B-](F)(F)(F)F.C1CC(=C(/C(=C\C=C2C=C(SC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)/C1)Cl)/C=C/C5=CC(=[S+]C(=C5)C6=CC=CC=C6)C7=CC=CC=C7,"InChI=1S/C44H34ClS2.BF4/c45-44-38(26-24-32-28-40(34-14-5-1-6-15-34)46-41(29-32)35-16-7-2-8-17-35)22-13-23-39(44)27-25-33-30-42(36-18-9-3-10-19-36)47-43(31-33)37-20-11-4-12-21-37;2-1(3,4)5/h1-12,14-21,24-31H,13,22-23H2;/q+1;-1",QRLZQHNDSCIJTI-UHFFFAOYSA-N,C44H34BClF4S2,749.1,748.1819639,,53.5,1090,0,0,6,7,52,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-BUTYL-2-[2-[3-[2-(1-BUTYL-6-CHLOROBENZ[cd]INDOL-2(1H)-YLIDENE)ETHYLIDENE]-2-CHLORO-1-CYCLOHEXEN-1-YL]ETHENYL]-6-CHLOROBENZ[cd]INDOLIUM, TETRAFLUOROBORATE(1-)(1:1)",155613-98-2,16212602,(2Z)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butyl-6-chlorobenzo[cd]indol-1-ium-2-yl)ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-6-chlorobenzo[cd]indole tetrafluoroborate,[B-](F)(F)(F)F.CCCCN\1C2=C3C(=C(C=C2)Cl)C=CC=C3/C1=C/C=C/4\CCCC(=C4Cl)/C=C/C5=[N+](C6=C7C5=CC=CC7=C(C=C6)Cl)CCCC,"InChI=1S/C40H38Cl3N2.BF4/c1-3-5-24-44-34(30-14-8-12-28-32(41)18-22-36(44)38(28)30)20-16-26-10-7-11-27(40(26)43)17-21-35-31-15-9-13-29-33(42)19-23-37(39(29)31)45(35)25-6-4-2;2-1(3,4)5/h8-9,12-23H,3-7,10-11,24-25H2,1-2H3;/q+1;-1",IKZNCEDZIQWVNS-UHFFFAOYSA-N,C40H38BCl3F4N2,739.9,738.212975,,6.3,1170,0,0,6,9,50,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-PHENYLCYCLOHEXANONE,004894-75-1,78605,4-phenylcyclohexan-1-one,C1CC(=O)CCC1C2=CC=CC=C2,"InChI=1S/C12H14O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11H,6-9H2",YKAYMASDSHFOGI-UHFFFAOYSA-N,C12H14O,174.24,174.1044651,2.1,17.1,170,0,0,1,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,10-DIOXA-1,7-DIAZACYCLODODECANE",000294-92-8,67522,"1,7-dioxa-4,10-diazacyclododecane",C1COCCNCCOCCN1,"InChI=1S/C8H18N2O2/c1-5-11-7-3-10-4-8-12-6-2-9-1/h9-10H,1-8H2",PWJHXHMUGFXPSN-UHFFFAOYSA-N,C8H18N2O2,174.24,174.1368278,-1.4,42.5,81,0,2,4,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-PHENYLPYRIDINE,001008-89-5,13887,2-phenylpyridine,C1=CC=C(C=C1)C2=CC=CC=N2,InChI=1S/C11H9N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-9H,VQGHOUODWALEFC-UHFFFAOYSA-N,C11H9N,155.2,155.0734993,2.6,12.9,127,0,0,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DICHLORO[1,3-BIS(2,6-DIISOPROPYLPHENYL)-1,3-DIHYDRO-2H-IMIDAZOL-2-YLIDENE]PALLADIUM(II) DIMER",444910-17-2,156009252,"bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);bis(dichloropalladium)",CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=[C-]2)C3=C(C=CC=C3C(C)C)C(C)C.CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=[C-]2)C3=C(C=CC=C3C(C)C)C(C)C.Cl[Pd]Cl.Cl[Pd]Cl,"InChI=1S/2C27H36N2.4ClH.2Pd/c2*1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;;;;;;/h2*9-16,18-21H,1-8H3;4*1H;;/q;;;;;;2*+2/p-4",TXCXGICCIUAGJY-UHFFFAOYSA-J,C54H72Cl4N4Pd2,1131.8,1132.25553,,12.5,535,0,0,2,12,64,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-(2,5-DIHYDRO-2,5-DIOXO-1H-PYRROL-1-YL)2,2,6,6-TETRAMETHYL-1-PIPERIDINYLOXY",015178-63-9,2724304,,CC1(CC(CC(N1[O])(C)C)N2C(=O)C=CC2=O)C,"InChI=1S/C13H19N2O3/c1-12(2)7-9(8-13(3,4)15(12)18)14-10(16)5-6-11(14)17/h5-6,9H,7-8H2,1-4H3",CMNDHIFMYRPBGH-UHFFFAOYSA-N,C13H19N2O3,251.3,251.1395675,0.8,41.6,390,0,0,3,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BIS[(1S)-2,2-DIMETHYL-1-(2-METHYLPHENYL)PROPYL]-1H-IMIDAZOLIUM IODIDE (1:1)",1002357-04-1,24740932,"1,3-bis[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]imidazol-1-ium iodide",CC1=CC=CC=C1[C@H](C(C)(C)C)N2C=C[N+](=C2)[C@H](C3=CC=CC=C3C)C(C)(C)C.[I-],"InChI=1S/C27H37N2.HI/c1-20-13-9-11-15-22(20)24(26(3,4)5)28-17-18-29(19-28)25(27(6,7)8)23-16-12-10-14-21(23)2;/h9-19,24-25H,1-8H3;1H/q+1;/p-1/t24-,25-;/m1./s1",GRQHYMHCWGVISJ-JIMLSGQQSA-M,C27H37IN2,516.5,516.20015,,8.8,468,0,0,1,6,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-(ACETYLAMINO)-2,2,6,6-TETRAMETHYL-1-OXOPIPERIDINIUM TETRAFLUOROBORATE",219543-09-6,2753331,"N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide tetrafluoroborate",[B-](F)(F)(F)F.CC(=O)NC1CC([N+](=O)C(C1)(C)C)(C)C,"InChI=1S/C11H20N2O2.BF4/c1-8(14)12-9-6-10(2,3)13(15)11(4,5)7-9;2-1(3,4)5/h9H,6-7H2,1-5H3;/q;-1/p+1",HTMHEICBCHCWAU-UHFFFAOYSA-O,C11H21BF4N2O2,300.1,300.1632207,,49.2,294,0,1,7,1,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"10,10'-DIBROMO-9,9'-BIANTHRYL",121848-75-7,15195999,9-bromo-10-(10-bromoanthracen-9-yl)anthracene,C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2Br)C4=C5C=CC=CC5=C(C6=CC=CC=C64)Br,InChI=1S/C28H16Br2/c29-27-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)27)26-19-11-3-7-15-23(19)28(30)24-16-8-4-12-20(24)26/h1-16H,NPNNLGXEAGTSRN-UHFFFAOYSA-N,C28H16Br2,512.2,511.95983,9.9,0,503,0,0,0,1,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BIS[(1S)-2,2-DIMETHYL-1-(1-NAPHTHYL)PROPYL]IMIDAZOLIUM IODIDE",1333385-96-8,54671432,"1,3-bis[(1S)-2,2-dimethyl-1-naphthalen-1-ylpropyl]imidazol-1-ium iodide",CC(C)(C)[C@@H](C1=CC=CC2=CC=CC=C21)N3C=C[N+](=C3)[C@H](C4=CC=CC5=CC=CC=C54)C(C)(C)C.[I-],"InChI=1S/C33H37N2.HI/c1-32(2,3)30(28-19-11-15-24-13-7-9-17-26(24)28)34-21-22-35(23-34)31(33(4,5)6)29-20-12-16-25-14-8-10-18-27(25)29;/h7-23,30-31H,1-6H3;1H/q+1;/p-1/t30-,31-;/m1./s1",DZXSGMCSEFOYEQ-XBPPRYKJSA-M,C33H37IN2,588.6,588.20015,,8.8,628,0,0,1,6,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POTASSIUM TETRAKIS(4-BIPHENYLYL)BORATE,400762-49-4,23681134,potassium tetrakis(4-phenylphenyl)boranuide,[B-](C1=CC=C(C=C1)C2=CC=CC=C2)(C3=CC=C(C=C3)C4=CC=CC=C4)(C5=CC=C(C=C5)C6=CC=CC=C6)C7=CC=C(C=C7)C8=CC=CC=C8.[K+],"InChI=1S/C48H36B.K/c1-5-13-37(14-6-1)41-21-29-45(30-22-41)49(46-31-23-42(24-32-46)38-15-7-2-8-16-38,47-33-25-43(26-34-47)39-17-9-3-10-18-39)48-35-27-44(28-36-48)40-19-11-4-12-20-40;/h1-36H;/q-1;+1",FMJZZAIWRYCJQG-UHFFFAOYSA-N,C48H36BK,662.7,662.2547128,,0,779,0,0,1,4,50,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-BIPHTHALIC DIANHYDRIDE",002420-87-3,75494,"5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione",C1=CC2=C(C=C1C3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O,InChI=1S/C16H6O6/c17-13-9-3-1-7(5-11(9)15(19)21-13)8-2-4-10-12(6-8)16(20)22-14(10)18/h1-6H,WKDNYTOXBCRNPV-UHFFFAOYSA-N,C16H6O6,294.21,294.0164379,2.3,86.7,517,0,0,6,1,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BICYCLO[2.2.2]OCT-7-ENE-2,3,5,6-TETRACARBOXYLIC DIANHYDRIDE",001719-83-1,102679,"4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone",C1=CC2C3C(C1C4C2C(=O)OC4=O)C(=O)OC3=O,InChI=1S/C12H8O6/c13-9-5-3-1-2-4(7(5)11(15)17-9)8-6(3)10(14)18-12(8)16/h1-8H,XLOGCGOPKPCECW-UHFFFAOYSA-N,C12H8O6,248.19,248.032088,-0.5,86.7,459,0,0,6,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4',4""-[NITRILOTRIS(METHYLENE)]TRIS-1H-1,2,3-TRIAZOLE-1-PROPANOL",760952-88-3,85325313,3-[4-[[bis[[1-(3-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol,C1=C(N=NN1CCCO)CN(CC2=CN(N=N2)CCCO)CC3=CN(N=N3)CCCO,"InChI=1S/C18H30N10O3/c29-7-1-4-26-13-16(19-22-26)10-25(11-17-14-27(23-20-17)5-2-8-30)12-18-15-28(24-21-18)6-3-9-31/h13-15,29-31H,1-12H2",VAKXPQHQQNOUEZ-UHFFFAOYSA-N,C18H30N10O3,434.5,434.2502349,-3,156,427,0,3,10,15,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5,7,12,14-PENTACENETETRONE",023912-79-0,4733,"pentacene-5,7,12,14-tetrone",C1=CC=C2C(=C1)C(=O)C3=CC4=C(C=C3C2=O)C(=O)C5=CC=CC=C5C4=O,InChI=1S/C22H10O4/c23-19-11-5-1-2-6-12(11)20(24)16-10-18-17(9-15(16)19)21(25)13-7-3-4-8-14(13)22(18)26/h1-10H,YZOGOBWHTVNKGA-UHFFFAOYSA-N,C22H10O4,338.3,338.0579088,4.3,68.3,566,0,0,4,0,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-BENZYL,1,4,7,10-TETRAAZACYCLODODECANE",112193-83-6,10084082,"1-benzyl-1,4,7,10-tetrazacyclododecane",C1CNCCN(CCNCCN1)CC2=CC=CC=C2,"InChI=1S/C15H26N4/c1-2-4-15(5-3-1)14-19-12-10-17-8-6-16-7-9-18-11-13-19/h1-5,16-18H,6-14H2",FURLCQRFFWBENR-UHFFFAOYSA-N,C15H26N4,262.39,262.2157469,0.4,39.3,204,0,3,4,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(TRICYCLOHEXYLPHOSPHINE)(1,5-CYCLOOCTADIENE)(PYRIDINE)IRIDIUM(I)HEXAFLUOROPHOSPHATE",064536-78-3,5702647,"(1Z,5Z)-cycloocta-1,5-diene;iridium;pyridine;tricyclohexylphosphane;hexafluorophosphate",C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C1/C=C\CC/C=C\C1.C1=CC=NC=C1.F[P-](F)(F)(F)(F)F.[Ir],"InChI=1S/C18H33P.C8H12.C5H5N.F6P.Ir/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-8-7-5-3-1;1-2-4-6-5-3-1;1-7(2,3,4,5)6;/h16-18H,1-15H2;1-2,7-8H,3-6H2;1-5H;;/q;;;-1;/b;2-1-,8-7-;;;",WLRQNTYCIFESRH-KJWGIZLLSA-N,C31H50F6IrNP2-,804.9,805.29519,,12.9,368,-1,0,8,3,41,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,5-BIS(DIPHENYLPHOSPHINO)PENTANE",027721-02-4,2733414,5-diphenylphosphanylpentyl(diphenyl)phosphane,C1=CC=C(C=C1)P(CCCCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C29H30P2/c1-6-16-26(17-7-1)30(27-18-8-2-9-19-27)24-14-5-15-25-31(28-20-10-3-11-21-28)29-22-12-4-13-23-29/h1-4,6-13,16-23H,5,14-15,24-25H2",MZFPAWGWFDGCHP-UHFFFAOYSA-N,C29H30P2,440.5,440.182275,6.9,0,375,0,0,0,10,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(5S,11S)-(+)-2,8-DIMETHYL-6H,12H-5,11-METHANODIBENZO[B,F][1,5]DIAZOCINE",021451-74-1,196981,"5,13-dimethyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene",CC1=CC2=C(C=C1)N3CC4=C(C=CC(=C4)C)N(C2)C3,"InChI=1S/C17H18N2/c1-12-3-5-16-14(7-12)9-18-11-19(16)10-15-8-13(2)4-6-17(15)18/h3-8H,9-11H2,1-2H3",SXPSZIHEWFTLEQ-UHFFFAOYSA-N,C17H18N2,250.34,250.1469986,3.8,6.5,310,0,0,2,0,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE",181219-01-2,2734648,"4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine",B1(OC(C(O1)(C)C)(C)C)C2=CC=NC=C2,"InChI=1S/C11H16BNO2/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9/h5-8H,1-4H3",NLTIETZTDSJANS-UHFFFAOYSA-N,C11H16BNO2,205.06,205.1274089,,31.4,221,0,0,3,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"<I>CIS</>-DICHLOROBIS(2,2'-BIPYRIDINE)RUTHENIUM(II)",019542-80-4,6398695,dichlororuthenium;bis(2-pyridin-2-ylpyridine),C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.Cl[Ru]Cl,InChI=1S/2C10H8N2.2ClH.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h2*1-8H;2*1H;/q;;;;+2/p-2,MGAJEYXQYJBLQL-UHFFFAOYSA-L,C20H16Cl2N4Ru,484.3,483.979542,,51.6,123,0,0,4,2,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
5-AZONIASPIRO[4.4]NONANE CHLORIDE,098997-63-8,86139055,5-azoniaspiro[4.4]nonane chloride,C1CC[N+]2(C1)CCCC2.[Cl-],InChI=1S/C8H16N.ClH/c1-2-6-9(5-1)7-3-4-8-9;/h1-8H2;1H/q+1;/p-1,HGAIUEUNFDXNNI-UHFFFAOYSA-M,C8H16ClN,161.67,161.0971272,,0,79,0,0,1,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
LOPINAVIR,192725-17-0,92727,"(2S)-N-[(2S,4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide",CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O,"InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1",KJHKTHWMRKYKJE-SUGCFTRWSA-N,C37H48N4O5,628.8,628.3624706,5.9,120,940,0,4,5,15,46,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
TIPIRACIL HYDROCHLORIDE,183204-72-0,9903778,"5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione;hydrochloride",C1CC(=N)N(C1)CC2=C(C(=O)NC(=O)N2)Cl.Cl,"InChI=1S/C9H11ClN4O2.ClH/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11;/h11H,1-4H2,(H2,12,13,15,16);1H",KGHYQYACJRXCAT-UHFFFAOYSA-N,C9H12Cl2N4O2,279.12,278.033731,,85.3,404,0,4,3,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BISMALEIMIDOETHANE,005132-30-9,237509,"1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione",C1=CC(=O)N(C1=O)CCN2C(=O)C=CC2=O,"InChI=1S/C10H8N2O4/c13-7-1-2-8(14)11(7)5-6-12-9(15)3-4-10(12)16/h1-4H,5-6H2",PUKLCKVOVCZYKF-UHFFFAOYSA-N,C10H8N2O4,220.18,220.0484067,-1.3,74.8,372,0,0,4,3,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
PRULIFLOXACIN,123447-62-1,65947,"6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid",CC1N2C3=CC(=C(C=C3C(=O)C(=C2S1)C(=O)O)F)N4CCN(CC4)CC5=C(OC(=O)O5)C,"InChI=1S/C21H20FN3O6S/c1-10-16(31-21(29)30-10)9-23-3-5-24(6-4-23)15-8-14-12(7-13(15)22)18(26)17(20(27)28)19-25(14)11(2)32-19/h7-8,11H,3-6,9H2,1-2H3,(H,27,28)",PWNMXPDKBYZCOO-UHFFFAOYSA-N,C21H20FN3O6S,461.5,461.1056847,1,125,930,0,1,11,4,32,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0
"5-CYANO-2,3-DI-(P-TOLYL)TETRAZOLIUM CHLORIDE",090217-02-0,2762687,"2,3-bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile chloride",CC1=CC=C(C=C1)N2N=C(N=[N+]2C3=CC=C(C=C3)C)C#N.[Cl-],"InChI=1S/C16H14N5.ClH/c1-12-3-7-14(8-4-12)20-18-16(11-17)19-21(20)15-9-5-13(2)6-10-15;/h3-10H,1-2H3;1H/q+1;/p-1",SSJZAXOTLCJNLF-UHFFFAOYSA-M,C16H14ClN5,311.77,311.0937732,,58.4,357,0,0,4,2,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,N'-BIS(4-NITROPHENYL)UREA COMPOUND WITH 4,6-DIMETHYL-2-PYRIMIDINONE",000330-95-0,9507,"1,3-bis(4-nitrophenyl)urea;4,6-dimethyl-1H-pyrimidin-2-one",CC1=CC(=NC(=O)N1)C.C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-],"InChI=1S/C13H10N4O5.C6H8N2O/c18-13(14-9-1-5-11(6-2-9)16(19)20)15-10-3-7-12(8-4-10)17(21)22;1-4-3-5(2)8-6(9)7-4/h1-8H,(H2,14,15,18);3H,1-2H3,(H,7,8,9)",UKHWDRMMMYWSFL-UHFFFAOYSA-N,C19H18N6O6,426.4,426.1287823,,174,582,0,3,6,2,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2-DIPHENYLOXIRANE",000882-59-7,93564,"2,2-diphenyloxirane",C1C(O1)(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C14H12O/c1-3-7-12(8-4-1)14(11-15-14)13-9-5-2-6-10-13/h1-10H,11H2",PRLJMHVNHLTQJJ-UHFFFAOYSA-N,C14H12O,196.24,196.088815,2.9,12.5,193,0,0,1,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
(3H)-BENZOFURAN-2-ONE,000553-86-6,68382,3H-1-benzofuran-2-one,C1C2=CC=CC=C2OC1=O,"InChI=1S/C8H6O2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4H,5H2",ACZGCWSMSTYWDQ-UHFFFAOYSA-N,C8H6O2,134.13,134.0367794,1.3,26.3,153,0,0,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"CHLORODIPYRROLIDINOCARBENIUM
HEXAFLUOROPHOSPHATE",135540-11-3,2736652,1-[chloro(pyrrolidin-1-ium-1-ylidene)methyl]pyrrolidine hexafluorophosphate,C1CCN(C1)C(=[N+]2CCCC2)Cl.F[P-](F)(F)(F)(F)F,"InChI=1S/C9H16ClN2.F6P/c10-9(11-5-1-2-6-11)12-7-3-4-8-12;1-7(2,3,4,5)6/h1-8H2;/q+1;-1",NHEGCUSBUWGOQM-UHFFFAOYSA-N,C9H16ClF6N2P,332.65,332.0643822,,6.3,228,0,0,7,1,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-DI(4-PYRAZOLYL)BENZENE",1036248-62-0,75487862,4-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole,C1=CC(=CC=C1C2=CNN=C2)C3=CNN=C3,"InChI=1S/C12H10N4/c1-2-10(12-7-15-16-8-12)4-3-9(1)11-5-13-14-6-11/h1-8H,(H,13,14)(H,15,16)",RUGLQPNWHSDVER-UHFFFAOYSA-N,C12H10N4,210.23,210.0905463,1.8,57.4,201,0,2,2,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ISOSORBIDE DIGLYCIDYL ETHER,013374-44-2,13561038,"(3S,3aR,6R,6aR)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan",C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)OCC3CO3)OCC4CO4,"InChI=1S/C12H18O6/c1-7(13-1)3-15-9-5-17-12-10(6-18-11(9)12)16-4-8-2-14-8/h7-12H,1-6H2/t7?,8?,9-,10+,11-,12-/m1/s1",JEBWAOITKHXCBF-BEAPMJEYSA-N,C12H18O6,258.27,258.1103383,-1.2,62,281,0,0,6,6,18,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
BIS(TRIPHENYLPHOSPHORANYLIDENE)AMMONIUM CHLORIDE,021050-13-5,3036656,triphenyl-[(triphenyl-lambda5-phosphanylidene)amino]phosphanium chloride,C1=CC=C(C=C1)P(=N[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Cl-],"InChI=1S/C36H30NP2.ClH/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;/h1-30H;1H/q+1;/p-1",LVRCYPYRKNAAMX-UHFFFAOYSA-M,C36H30ClNP2,574,573.1542017,,12.4,607,0,0,2,7,40,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BILIVERDIN HYDROCHLORIDE,856699-18-8,67217921,3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid;hydrochloride,CC1=C(/C(=C/C2=C(C(=C(N2)/C=C\3/C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)/NC1=CC4=NC(=O)C(=C4C)C=C)CCC(=O)O.Cl,"InChI=1S/C33H34N4O6.ClH/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26;/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,37,42)(H,38,39)(H,40,41);1H/b24-13?,27-14-,28-15-;",OZCVSEGCSGTCIO-CKKHYNBESA-N,C33H35ClN4O6,619.1,618.2245125,,161,1530,0,6,7,11,44,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SODIUM ISOPROPYLCYCLOPENTADIENIDE,065090-77-9,16213221,"sodium 5-propan-2-ylcyclopenta-1,3-diene",CC(C)[C-]1C=CC=C1.[Na+],"InChI=1S/C8H11.Na/c1-7(2)8-5-3-4-6-8;/h3-7H,1-2H3;/q-1;+1",IWYSOVJPHUTFIM-UHFFFAOYSA-N,C8H11Na,130.16,130.0758446,,0,63,0,0,1,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-(4-PYRIDIN-N-OXIDE)PYRIDINE-N-OXIDE,024573-15-7,1712490,4-(1-oxido-4-pyridinylidene)pyridin-1-ium 1-oxide,C1=CN(C=CC1=C2C=C[N+](=O)C=C2)[O-],InChI=1S/C10H8N2O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,CEJJXIXKGPQQNG-UHFFFAOYSA-N,C10H8N2O2,188.18,188.0585775,-0.3,46.4,342,0,0,3,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AQUAMET,1414707-08-6,134128834,"dichloro-[4-[(4-ethyl-4-methylpiperazin-4-ium-1-yl)methyl]-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-[(2-propan-2-yloxyphenyl)methylidene]ruthenium chloride",CC[N+]1(CCN(CC1)CC2CN(C(=[Ru](=CC3=CC=CC=C3OC(C)C)(Cl)Cl)N2C4=C(C=C(C=C4C)C)C)C5=C(C=C(C=C5C)C)C)C.[Cl-],"InChI=1S/C29H43N4.C10H12O.3ClH.Ru/c1-9-33(8)12-10-30(11-13-33)18-27-19-31(28-23(4)14-21(2)15-24(28)5)20-32(27)29-25(6)16-22(3)17-26(29)7;1-8(2)11-10-7-5-4-6-9(10)3;;;;/h14-17,27H,9-13,18-19H2,1-8H3;3-8H,1-2H3;3*1H;/q+1;;;;;+2/p-3",BDCPOCRCZBKEIS-UHFFFAOYSA-K,C39H55Cl3N4ORu,803.3,802.248486,,19,1130,0,0,5,8,48,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"DISILOXANE, 1,1,3,3-TETRAMETHYL-1,3-DIPHENYL-",000056-33-7,5945,[dimethyl(phenyl)silyl]oxy-dimethyl-phenylsilane,C[Si](C)(C1=CC=CC=C1)O[Si](C)(C)C2=CC=CC=C2,"InChI=1S/C16H22OSi2/c1-18(2,15-11-7-5-8-12-15)17-19(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3",YQJPWWLJDNCSCN-UHFFFAOYSA-N,C16H22OSi2,286.51,286.1209184,,9.2,248,0,0,1,4,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NAPHTH[1,8-CD]-1,2-OXATHIOLE, 2,2-DIOXIDE",000083-31-8,65744,"2-oxa-3lambda6-thiatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 3,3-dioxide",C1=CC2=C3C(=C1)OS(=O)(=O)C3=CC=C2,InChI=1S/C10H6O3S/c11-14(12)9-6-2-4-7-3-1-5-8(13-14)10(7)9/h1-6H,IEIADDVJUYQKAZ-UHFFFAOYSA-N,C10H6O3S,206.22,206.0037652,2.3,51.8,330,0,0,3,0,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"METHANONE, PHENYL-2-PYRIDINYL-",000091-02-1,7038,phenyl(pyridin-2-yl)methanone,C1=CC=C(C=C1)C(=O)C2=CC=CC=N2,InChI=1S/C12H9NO/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9H,GCSHUYKULREZSJ-UHFFFAOYSA-N,C12H9NO,183.21,183.0684139,1.9,30,196,0,0,2,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-OXATHIANE, 4,4-DIOXIDE",000107-61-9,7878,"1,4-oxathiane 4,4-dioxide",C1CS(=O)(=O)CCO1,InChI=1S/C4H8O3S/c5-8(6)3-1-7-2-4-8/h1-4H2,WWRUZECKUVNAPB-UHFFFAOYSA-N,C4H8O3S,136.17,136.0194153,-0.8,51.8,141,0,0,3,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"OXACYCLOHEPTADEC-8-EN-2-ONE, (Z)-",000123-69-3,5365703,(8Z)-1-oxacycloheptadec-8-en-2-one,C1CCCCOC(=O)CCCCC/C=C\CCC1,"InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h2,4H,1,3,5-15H2/b4-2-",NVIPUOMWGQAOIT-RQOWECAXSA-N,C16H28O2,252.39,252.2089301,5.5,26.3,233,0,0,2,0,18,,398.00 to 399.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BIS[3-(2,3-EPOXYPROPOXY)PROPYL]TETRAMETHYLSILOXANE",000126-80-7,61068,[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane,C[Si](C)(CCCOCC1CO1)O[Si](C)(C)CCCOCC2CO2,"InChI=1S/C16H34O5Si2/c1-22(2,9-5-7-17-11-15-13-19-15)21-23(3,4)10-6-8-18-12-16-14-20-16/h15-16H,5-14H2,1-4H3",MFIBZDZRPYQXOM-UHFFFAOYSA-N,C16H34O5Si2,362.61,362.1944773,,52.8,319,0,0,5,14,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1(4H)-NAPHTHALENONE, 4-[[4-(DIMETHYLAMINO)PHENYL]IMINO]-",000132-31-0,67235,4-[4-(dimethylamino)phenyl]iminonaphthalen-1-one,CN(C)C1=CC=C(C=C1)N=C2C=CC(=O)C3=CC=CC=C23,"InChI=1S/C18H16N2O/c1-20(2)14-9-7-13(8-10-14)19-17-11-12-18(21)16-6-4-3-5-15(16)17/h3-12H,1-2H3",VRZJGENLTNRAIG-UHFFFAOYSA-N,C18H16N2O,276.3,276.1262631,4,32.7,444,0,0,3,2,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHENOL, 4-(3,4-DIHYDRO-2,2,4-TRIMETHYL-2H-1-BENZOPYRAN-4-YL)",000472-41-3,97788,"4-(2,2,4-trimethyl-3H-chromen-4-yl)phenol",CC1(CC(C2=CC=CC=C2O1)(C)C3=CC=C(C=C3)O)C,"InChI=1S/C18H20O2/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20-17/h4-11,19H,12H2,1-3H3",KXYDGGNWZUHESZ-UHFFFAOYSA-N,C18H20O2,268.3,268.1463299,4.5,29.5,343,0,1,2,1,20,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOTRISILOXANE, HEXAPHENYL-",000512-63-0,68187,"2,2,4,4,6,6-hexakis-phenyl-1,3,5,2,4,6-trioxatrisilinane",C1=CC=C(C=C1)[Si]2(O[Si](O[Si](O2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7,"InChI=1S/C36H30O3Si3/c1-7-19-31(20-8-1)40(32-21-9-2-10-22-32)37-41(33-23-11-3-12-24-33,34-25-13-4-14-26-34)39-42(38-40,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H",VCYDUTCMKSROID-UHFFFAOYSA-N,C36H30O3Si3,594.9,594.1502744,,27.7,650,0,0,3,6,42,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-3,1-BENZOXAZIN-4-ONE, 2-METHYL-",000525-76-8,68236,"2-methyl-3,1-benzoxazin-4-one",CC1=NC2=CC=CC=C2C(=O)O1,"InChI=1S/C9H7NO2/c1-6-10-8-5-3-2-4-7(8)9(11)12-6/h2-5H,1H3",WMQSKECCMQRJRX-UHFFFAOYSA-N,C9H7NO2,161.16,161.0476785,1.3,38.7,235,0,0,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-CYCLOHEPTANEDIONE, DIOXIME",000530-97-2,135487944,N-(2-hydroxyiminocycloheptylidene)hydroxylamine,C1CCC(=NO)C(=NO)CC1,"InChI=1S/C7H12N2O2/c10-8-6-4-2-1-3-5-7(6)9-11/h10-11H,1-5H2",LJIRXNPXTVQOEU-UHFFFAOYSA-N,C7H12N2O2,156.18,156.0898776,1,65.2,167,0,2,4,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"HYDRAZINECARBOXAMIDE, N,2-DIPHENYL-",000621-12-5,69299,1-anilino-3-phenylurea,C1=CC=C(C=C1)NC(=O)NNC2=CC=CC=C2,"InChI=1S/C13H13N3O/c17-13(14-11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h1-10,15H,(H2,14,16,17)",NGZZNUMYERKSQA-UHFFFAOYSA-N,C13H13N3O,227.26,227.105862,2.8,53.2,233,0,3,2,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3,6,8-NONATETRAEN-5-ONE, 1,9-DIPHENYL-",000622-21-9,5378259,"(1E,3E,6E,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one",C1=CC=C(C=C1)/C=C/C=C/C(=O)/C=C/C=C/C2=CC=CC=C2,"InChI=1S/C21H18O/c22-21(17-9-7-15-19-11-3-1-4-12-19)18-10-8-16-20-13-5-2-6-14-20/h1-18H/b15-7+,16-8+,17-9+,18-10+",RLJALOQFYHCJKG-FVRNMFRHSA-N,C21H18O,286.4,286.1357652,5.4,17.1,387,0,0,1,6,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, TRIESTER WITH BORIC ACID(H3BO3)",000635-20-1,4452360,tris(5-methyl-2-propan-2-ylcyclohexyl) borate,B(OC1CC(CCC1C(C)C)C)(OC2CC(CCC2C(C)C)C)OC3CC(CCC3C(C)C)C,"InChI=1S/C30H57BO3/c1-19(2)25-13-10-22(7)16-28(25)32-31(33-29-17-23(8)11-14-26(29)20(3)4)34-30-18-24(9)12-15-27(30)21(5)6/h19-30H,10-18H2,1-9H3",APDCUDTVQNGARJ-UHFFFAOYSA-N,C30H57BO3,476.6,476.4400758,,27.7,513,0,0,3,9,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NAPHTHO[2,3-C]FURAN-1,3-DIONE",000716-39-2,69743,"benzo[f][2]benzofuran-1,3-dione",C1=CC=C2C=C3C(=CC2=C1)C(=O)OC3=O,InChI=1S/C12H6O3/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)12(14)15-11/h1-6H,IZJDCINIYIMFGX-UHFFFAOYSA-N,C12H6O3,198.17,198.031694,2.5,43.4,280,0,0,3,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-1-BENZOTHIOPYRAN-4-ONE, 2-PHENYL-",000784-62-3,69914,2-phenylthiochromen-4-one,C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3S2,InChI=1S/C15H10OS/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H,GIQPSSZMIZARDW-UHFFFAOYSA-N,C15H10OS,238.31,238.0452361,3.7,42.4,328,0,0,2,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5(4H)-ISOXAZOLONE, 3-PHENYL-",001076-59-1,70641,"3-phenyl-4H-1,2-oxazol-5-one",C1C(=NOC1=O)C2=CC=CC=C2,"InChI=1S/C9H7NO2/c11-9-6-8(10-12-9)7-4-2-1-3-5-7/h1-5H,6H2",IHKNLPPRTQQACK-UHFFFAOYSA-N,C9H7NO2,161.16,161.0476785,1.8,38.7,217,0,0,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-IMIDAZOLE, 1-(1-OXO-3-PHENYL-2-PROPENYL)-, (E)-",001138-15-4,5357650,(E)-1-imidazol-1-yl-3-phenylprop-2-en-1-one,C1=CC=C(C=C1)/C=C/C(=O)N2C=CN=C2,InChI=1S/C12H10N2O/c15-12(14-9-8-13-10-14)7-6-11-4-2-1-3-5-11/h1-10H/b7-6+,XVGXMXZUJNAGFZ-VOTSOKGWSA-N,C12H10N2O,198.22,198.0793129,1.7,34.9,244,0,0,2,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DISILANE, 1,2-DIMETHYL-1,1,2,2-TETRAPHENYL-",001172-76-5,70895,methyl-[methyl(diphenyl)silyl]-diphenylsilane,C[Si](C1=CC=CC=C1)(C2=CC=CC=C2)[Si](C)(C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C26H26Si2/c1-27(23-15-7-3-8-16-23,24-17-9-4-10-18-24)28(2,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3",JNZRJYXUMDPPRK-UHFFFAOYSA-N,C26H26Si2,394.7,394.1573039,,0,383,0,0,0,5,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-METHANONAPHTHALENE-5,8-DIONE, 1,4,4A,8A-TETRAHYDRO-",001200-89-1,79150,"tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione",C1C2C=CC1C3C2C(=O)C=CC3=O,"InChI=1S/C11H10O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h1-4,6-7,10-11H,5H2",FQLRTGXTYFCECH-UHFFFAOYSA-N,C11H10O2,174.2,174.0680796,0.8,34.1,319,0,0,2,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-PYRIDINAMINE, N-2-PYRIDINYL-",001202-34-2,14547,N-pyridin-2-ylpyridin-2-amine,C1=CC=NC(=C1)NC2=CC=CC=N2,"InChI=1S/C10H9N3/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10/h1-8H,(H,11,12,13)",HMMPCBAWTWYFLR-UHFFFAOYSA-N,C10H9N3,171.2,171.0796473,2,37.8,133,0,1,3,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANAMINIUM, N-[4-[[4-(DIMETHYLAMINO)PHENYL][2-ETHOXY-4-[(4-METHYLSULFOPHENY",001324-50-1,164813,"sodium 5-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-4-ethoxy-2-(4-methyl-2-sulfonatoanilino)benzenesulfonate",CCOC1=CC(=C(C=C1C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C)S(=O)(=O)[O-])NC4=C(C=C(C=C4)C)S(=O)(=O)[O-].[Na+],"InChI=1S/C32H35N3O7S2.Na/c1-7-42-29-20-28(33-27-17-8-21(2)18-30(27)43(36,37)38)31(44(39,40)41)19-26(29)32(22-9-13-24(14-10-22)34(3)4)23-11-15-25(16-12-23)35(5)6;/h8-20H,7H2,1-6H3,(H2,36,37,38,39,40,41);/q;+1/p-1",WQZNLMYQHGWSHK-UHFFFAOYSA-M,C32H34N3NaO7S2,659.8,659.1735871,,159,1260,0,1,9,7,45,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
C.I. DIRECT YELLOW 7,001326-12-1,155884413,"2-[2-[4-(dimethylamino)phenyl]-3-methyl-1,3-benzothiazol-3-ium-6-yl]-3,6-dimethyl-1,3-benzothiazol-3-ium-7-sulfonate chloride",CC1=C(C2=C(C=C1)[N+](=C(S2)C3=CC4=C(C=C3)[N+](=C(S4)C5=CC=C(C=C5)N(C)C)C)C)S(=O)(=O)[O-].[Cl-],"InChI=1S/C25H24N3O3S3.ClH/c1-15-6-12-20-22(23(15)34(29,30)31)33-25(28(20)5)17-9-13-19-21(14-17)32-24(27(19)4)16-7-10-18(11-8-16)26(2)3;/h6-14H,1-5H3;1H/q+1;/p-1",VNVDHTWVCQCPLI-UHFFFAOYSA-M,C25H24ClN3O3S3,546.1,545.0668329,,133,816,0,0,7,3,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENAMINE, N-[5-(PHENYLAMINO)-2,4-PENTADIENYLIDENE]-, MONOHYDROCHLORIDE",001497-49-0,5702667,"N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline;hydrochloride",C1=CC=C(C=C1)N/C=C/C=C/C=NC2=CC=CC=C2.Cl,"InChI=1S/C17H16N2.ClH/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17;/h1-15,18H;1H/b9-3+,14-8+,19-15?;",VUCMMJBDNXZQDJ-ZUJIUJENSA-N,C17H17ClN2,284.8,284.1080262,,24.4,305,0,2,2,5,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHONIUM, [1,4-PHENYLENEBIS(METHYLENE)]BIS[TRIPHENYL-, DICHLORIDE",001519-47-7,168940,triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium dichloride,C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Cl-].[Cl-],"InChI=1S/C44H38P2.2ClH/c1-7-19-39(20-8-1)45(40-21-9-2-10-22-40,41-23-11-3-12-24-41)35-37-31-33-38(34-32-37)36-46(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44;;/h1-34H,35-36H2;2*1H/q+2;;/p-2",IUNJPQCPINLADS-UHFFFAOYSA-L,C44H38Cl2P2,699.6,698.1825806,,0,689,0,0,2,10,48,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHONIUM, TRIPHENYL(3-PHENYL-2-PROPENYL)-, CHLORIDE",001530-35-4,6436301,triphenyl-[(E)-3-phenylprop-2-enyl]phosphanium chloride,C1=CC=C(C=C1)/C=C/C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-],"InChI=1S/C27H24P.ClH/c1-5-14-24(15-6-1)16-13-23-28(25-17-7-2-8-18-25,26-19-9-3-10-20-26)27-21-11-4-12-22-27;/h1-22H,23H2;1H/q+1;/p-1/b16-13+;",NBGQQOBCTPJEFE-ZUQRMPMESA-M,C27H24ClP,414.9,414.1304155,,0,411,0,0,1,6,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-PYRROLE, 1-(PHENYLMETHYL)-",002051-97-0,74922,1-benzylpyrrole,C1=CC=C(C=C1)CN2C=CC=C2,"InChI=1S/C11H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-9H,10H2",FNEQHKCQXDKYEO-UHFFFAOYSA-N,C11H11N,157.21,157.0891494,2.7,4.9,121,0,0,0,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIDINE, 2-(3-PHENYLPROPYL)-",002110-18-1,459494,2-(3-phenylpropyl)pyridine,C1=CC=C(C=C1)CCCC2=CC=CC=N2,"InChI=1S/C14H15N/c1-2-7-13(8-3-1)9-6-11-14-10-4-5-12-15-14/h1-5,7-8,10,12H,6,9,11H2",JJJPNTQYUJPWGQ-UHFFFAOYSA-N,C14H15N,197.27,197.1204495,3.2,12.9,161,0,0,1,4,15,,142.00 to 143.00 °C. @ 1.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"1,3-BENZODIOXOL-2-ONE",002171-74-6,75112,"1,3-benzodioxol-2-one",C1=CC=C2C(=C1)OC(=O)O2,InChI=1S/C7H4O3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,NZPSDGIEKAQVEZ-UHFFFAOYSA-N,C7H4O3,136.1,136.016044,1.7,35.5,139,0,0,3,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DIAZENEDICARBOXYLIC ACID, BIS(PHENYLMETHYL) ESTER",002449-05-0,75557,benzyl N-phenylmethoxycarbonyliminocarbamate,C1=CC=C(C=C1)COC(=O)N=NC(=O)OCC2=CC=CC=C2,"InChI=1S/C16H14N2O4/c19-15(21-11-13-7-3-1-4-8-13)17-18-16(20)22-12-14-9-5-2-6-10-14/h1-10H,11-12H2",IRJKSAIGIYODAN-UHFFFAOYSA-N,C16H14N2O4,298.29,298.0953569,3.9,77.3,350,0,0,4,6,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DIAZENEDICARBOXYLIC ACID, DIPHENYL ESTER",002449-14-1,5381145,phenyl (NE)-N-phenoxycarbonyliminocarbamate,C1=CC=C(C=C1)OC(=O)/N=N/C(=O)OC2=CC=CC=C2,InChI=1S/C14H10N2O4/c17-13(19-11-7-3-1-4-8-11)15-16-14(18)20-12-9-5-2-6-10-12/h1-10H/b16-15+,WDZOPGZTGVJDMZ-FOCLMDBBSA-N,C14H10N2O4,270.24,270.0640568,4.1,77.3,324,0,0,4,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6H-PURIN-6-ONE, 1,2,3,7-TETRAHYDRO-2-THIOXO-",002487-40-3,1268185,"2-sulfanylidene-3,7-dihydropurin-6-one",C1=NC2=C(N1)C(=O)NC(=S)N2,"InChI=1S/C5H4N4OS/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)",XNHFAGRBSMMFKL-UHFFFAOYSA-N,C5H4N4OS,168.18,168.0105819,-0.1,102,219,0,3,3,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DISULFIDE, DICYCLOHEXYL",002550-40-5,17356,(cyclohexyldisulfanyl)cyclohexane,C1CCC(CC1)SSC2CCCCC2,"InChI=1S/C12H22S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h11-12H,1-10H2",ODHAQPXNQDBHSH-UHFFFAOYSA-N,C12H22S2,230.4,230.1162931,4.5,50.6,128,0,0,2,3,14,,162.00 to 163.00 °C. @ 6.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,4-OXADIAZOLE-2(3H)-THIONE, 5-PHENYL-",003004-42-0,735254,"5-phenyl-3H-1,3,4-oxadiazole-2-thione",C1=CC=C(C=C1)C2=NNC(=S)O2,"InChI=1S/C8H6N2OS/c12-8-10-9-7(11-8)6-4-2-1-3-5-6/h1-5H,(H,10,12)",FOHWXVBZGSVUGO-UHFFFAOYSA-N,C8H6N2OS,178.21,178.020084,2,65.7,221,0,1,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NAPHTHO[1,2-D]THIAZOLIUM, 2-METHYL-1-(3-SULFOPROPYL)-, INNER SALT",003176-77-0,102378,"3-(2-methylbenzo[e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate",CC1=[N+](C2=C(S1)C=CC3=CC=CC=C32)CCCS(=O)(=O)[O-],"InChI=1S/C15H15NO3S2/c1-11-16(9-4-10-21(17,18)19)15-13-6-3-2-5-12(13)7-8-14(15)20-11/h2-3,5-8H,4,9-10H2,1H3",DTCXTTJRDSLBBR-UHFFFAOYSA-N,C15H15NO3S2,321.4,321.0493357,3.3,97.7,449,0,0,4,3,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-NAPHTHALENESULFONIC ACID, 4-[(4,5-DIHYDRO-3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL",003618-63-1,135713893,sodium 3-hydroxy-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]naphthalene-1-sulfonate,CC1=NN(C(=O)C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])O)C4=CC=CC=C4.[Na+],"InChI=1S/C20H16N4O5S.Na/c1-12-18(20(26)24(23-12)13-7-3-2-4-8-13)21-22-19-15-10-6-5-9-14(15)17(11-16(19)25)30(27,28)29;/h2-11,18,25H,1H3,(H,27,28,29);/q;+1/p-1",FPSFKBGHBCHTOE-UHFFFAOYSA-M,C20H15N4NaO5S,446.4,446.0660851,,143,824,0,1,8,4,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIDINE, 4-(DIPHENYLMETHYL)-",003678-72-6,77252,4-benzhydrylpyridine,C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=NC=C3,"InChI=1S/C18H15N/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-14,18H",ZWLWOTHDIGRTNE-UHFFFAOYSA-N,C18H15N,245.3,245.1204495,4.2,12.9,226,0,0,1,3,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,7-NAPHTHALENEDISULFONIC ACID, 5-[(1,8-DIHYDROXY-3,6-DISULFO-2-NAPHTHALENYL)A",003810-39-7,2724238,"hexasodium;5-[(1,8-dihydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-4-hydroxy-3-[(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate",C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)[O-])N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])O)O)O)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C30H20N4O22S6.6Na/c35-20-9-16(59(45,46)47)2-11-1-14(57(39,40)41)7-18(24(11)20)31-33-27-22(61(51,52)53)5-12-3-15(58(42,43)44)8-19(25(12)29(27)37)32-34-28-23(62(54,55)56)6-13-4-17(60(48,49)50)10-21(36)26(13)30(28)38;;;;;;/h1-10,35-38H,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;;;/q;6*+1/p-6",JCVAGGLLUIBFSY-UHFFFAOYSA-H,C30H14N4Na6O22S6,1112.8,1111.781011,,524,2340,0,4,26,4,68,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PIPERIDINE, 1-PHENYL-",004096-20-2,20038,1-phenylpiperidine,C1CCN(CC1)C2=CC=CC=C2,"InChI=1S/C11H15N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10H2",LLSKXGRDUPMXLC-UHFFFAOYSA-N,C11H15N,161.24,161.1204495,3,3.2,121,0,0,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIDINIUM, 1-(2,4-DINITROPHENYL)-, CHLORIDE",004185-69-7,77850,"1-(2,4-dinitrophenyl)pyridin-1-ium chloride",C1=CC=[N+](C=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].[Cl-],InChI=1S/C11H8N3O4.ClH/c15-13(16)9-4-5-10(11(8-9)14(17)18)12-6-2-1-3-7-12;/h1-8H;1H/q+1;/p-1,UYHMQTNGMUDVIY-UHFFFAOYSA-M,C11H8ClN3O4,281.65,281.0203334,,95.5,319,0,0,5,1,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-Pyridinedicarboximide",004664-01-1,72926,"pyrrolo[3,4-c]pyridine-1,3-dione",C1=CN=CC2=C1C(=O)NC2=O,"InChI=1S/C7H4N2O2/c10-6-4-1-2-8-3-5(4)7(11)9-6/h1-3H,(H,9,10,11)",SJSABZBUTDSWMJ-UHFFFAOYSA-N,C7H4N2O2,148.12,148.0272774,-0.4,59.1,214,0,1,3,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-PYRAZOL-3-ONE, 2,4-DIHYDRO-2,5-DIPHENYL-",004845-49-2,78559,"2,5-diphenyl-4H-pyrazol-3-one",C1C(=NN(C1=O)C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C15H12N2O/c18-15-11-14(12-7-3-1-4-8-12)16-17(15)13-9-5-2-6-10-13/h1-10H,11H2",MZKALFCNIJHTJG-UHFFFAOYSA-N,C15H12N2O,236.27,236.094963,2.9,32.7,338,0,0,2,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-NAPHTHALENECARBOXAMIDE, N-[4-[2,4-BIS(1,1-DIMETHYLPROPYL)PHENOXY]BUTYL]-1-HY",005084-12-8,78767,"N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxamide",CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)SC4=NN=NN4C5=CC=CC=C5)O)C(C)(C)CC,"InChI=1S/C38H45N5O3S/c1-7-37(3,4)26-20-21-32(31(24-26)38(5,6)8-2)46-23-15-14-22-39-35(45)30-25-33(28-18-12-13-19-29(28)34(30)44)47-36-40-41-42-43(36)27-16-10-9-11-17-27/h9-13,16-21,24-25,44H,7-8,14-15,22-23H2,1-6H3,(H,39,45)",CFRUNFQXALDGBM-UHFFFAOYSA-N,C38H45N5O3S,651.9,651.3243115,11.2,127,977,0,2,7,14,47,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-INDOLE, 2,3-DIHYDRO-3,3-DIMETHYL-2-METHYLENE-1-PHENYL-",005227-71-4,78895,"3,3-dimethyl-2-methylidene-1-phenylindole",CC1(C(=C)N(C2=CC=CC=C21)C3=CC=CC=C3)C,"InChI=1S/C17H17N/c1-13-17(2,3)15-11-7-8-12-16(15)18(13)14-9-5-4-6-10-14/h4-12H,1H2,2-3H3",USVYORQGMLXJTN-UHFFFAOYSA-N,C17H17N,235.32,235.1360995,5,3.2,325,0,0,1,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANONE, CYCLOPENTYLPHENYL-",005422-88-8,79464,cyclopentyl(phenyl)methanone,C1CCC(C1)C(=O)C2=CC=CC=C2,"InChI=1S/C12H14O/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2",VYDIMQRLNMMJBW-UHFFFAOYSA-N,C12H14O,174.24,174.1044651,3.1,17.1,174,0,0,1,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-1,2,4-TRIAZOLE-3-THIONE, 2,4-DIHYDRO-5-METHYL-4-PHENYL-",006232-82-2,785151,"3-methyl-4-phenyl-1H-1,2,4-triazole-5-thione",CC1=NNC(=S)N1C2=CC=CC=C2,"InChI=1S/C9H9N3S/c1-7-10-11-9(13)12(7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13)",VITIJXJNRKRDKF-UHFFFAOYSA-N,C9H9N3S,191.26,191.0517185,1.5,59.7,243,0,1,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANEDIOIC ACID, BIS[(PHENYLMETHYLENE)HYDRAZIDE]",006629-10-3,6861531,"N,N'-bis[(E)-benzylideneamino]oxamide",C1=CC=C(C=C1)/C=N/NC(=O)C(=O)N/N=C/C2=CC=CC=C2,"InChI=1S/C16H14N4O2/c21-15(19-17-11-13-7-3-1-4-8-13)16(22)20-18-12-14-9-5-2-6-10-14/h1-12H,(H,19,21)(H,20,22)/b17-11+,18-12+",GTIBACHAUHDNPH-JYFOCSDGSA-N,C16H14N4O2,294.31,294.1116757,2.5,82.9,382,0,2,4,4,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"3H-INDAZOL-3-ONE, 1,2-DIHYDRO-",007364-25-2,81829,"1,2-dihydroindazol-3-one",C1=CC=C2C(=C1)C(=O)NN2,"InChI=1S/C7H6N2O/c10-7-5-3-1-2-4-6(5)8-9-7/h1-4H,(H2,8,9,10)",SWEICGMKXPNXNU-UHFFFAOYSA-N,C7H6N2O,134.14,134.0480128,1.2,41.1,158,0,2,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-INDOL-3-OL, 5-BROMO-2-[9-CHLORO-3-(SULFOOXY)NAPHTHO[1,2-B]THIEN-2-YL]-, HYD",010134-35-7,82391,disodium;[5-bromo-2-(9-chloro-3-sulfonatooxybenzo[g][1]benzothiol-2-yl)-1H-indol-3-yl] sulfate,C1=CC2=C(C(=C1)Cl)C3=C(C=C2)C(=C(S3)C4=C(C5=C(N4)C=CC(=C5)Br)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C20H11BrClNO8S3.2Na/c21-10-5-7-14-12(8-10)17(30-33(24,25)26)16(23-14)20-18(31-34(27,28)29)11-6-4-9-2-1-3-13(22)15(9)19(11)32-20;;/h1-8,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2",IAPJNDGUDUDKRI-UHFFFAOYSA-L,C20H9BrClNNa2O8S3,648.8,646.81576,,194,949,0,1,9,3,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9H-THIOXANTHENE-3,6-DIAMINE, 10,10-DIOXIDE",010215-25-5,82456,"10,10-dioxo-9H-thioxanthene-3,6-diamine",C1C2=C(C=C(C=C2)N)S(=O)(=O)C3=C1C=CC(=C3)N,"InChI=1S/C13H12N2O2S/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)18(16,17)12(8)6-10/h1-4,6-7H,5,14-15H2",UPVRZVIJGVFROW-UHFFFAOYSA-N,C13H12N2O2S,260.31,260.0619488,1.4,94.6,385,0,2,4,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-alpha-Androstane-2-alpha-carbonitrile, 4-alpha,5-epoxy-17-beta-hydroxy-3-oxo",013647-35-3,656583,"(1S,2R,6R,8S,11S,12S,15S,16S)-5,15-dihydroxy-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadec-4-ene-4-carbonitrile",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@]45[C@@]3(CC(=C([C@H]4O5)O)C#N)C,"InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1",KVJXBPDAXMEYOA-CXANFOAXSA-N,C20H27NO3,329.4,329.1990937,2.9,76.8,692,0,2,4,0,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0
"1H-3A,7-METHANOAZULEN-5(4H)-ONE, HEXAHYDRO-3,6,8,8-TETRAMETHYL-, [3R-(3.ALPHA.",013794-73-5,21723990,"(1R,2R,5S,7S,8S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-9-one",C[C@@H]1CC[C@@H]2[C@@]13C[C@H](C2(C)C)[C@@H](C(=O)C3)C,"InChI=1S/C15H24O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9-11,13H,5-8H2,1-4H3/t9-,10+,11+,13+,15-/m1/s1",CHPQWDBBFXQHQC-JNOZFCTMSA-N,C15H24O,220.35,220.1827154,4,17.1,343,0,0,1,0,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"CARBONIC ACID, 4-NITROPHENYL PHENYLMETHYL ESTER",013795-24-9,83737,benzyl (4-nitrophenyl) carbonate,C1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C14H11NO5/c16-14(19-10-11-4-2-1-3-5-11)20-13-8-6-12(7-9-13)15(17)18/h1-9H,10H2",QIXRWIVDBZJDGD-UHFFFAOYSA-N,C14H11NO5,273.24,273.0637225,3.4,81.4,327,0,0,5,5,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NAPHTHO[1,2-C]FURAN-1,3-DIONE, 3A,4,5,9B-TETRAHYDRO-5-(TETRAHYDRO-2,5-DIOXO-3-",013912-65-7,85657,"5-(2,5-dioxooxolan-3-yl)-3a,4,5,9b-tetrahydrobenzo[e][2]benzofuran-1,3-dione",C1C(C2=CC=CC=C2C3C1C(=O)OC3=O)C4CC(=O)OC4=O,"InChI=1S/C16H12O6/c17-12-6-10(14(18)21-12)9-5-11-13(16(20)22-15(11)19)8-4-2-1-3-7(8)9/h1-4,9-11,13H,5-6H2",JYCTWJFSRDBYJX-UHFFFAOYSA-N,C16H12O6,300.26,300.0633881,0.8,86.7,567,0,0,6,1,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-TETRAZOLE, 5-CHLORO-1-PHENYL-",014210-25-4,84262,5-chloro-1-phenyltetrazole,C1=CC=C(C=C1)N2C(=NN=N2)Cl,InChI=1S/C7H5ClN4/c8-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H,DHELIGKVOGTMGF-UHFFFAOYSA-N,C7H5ClN4,180.59,180.0202739,1.5,43.6,148,0,0,3,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRIDINIUM, 1-[2-(ETHYLPHENYLAMINO)ETHYL]-, CHLORIDE",014408-19-6,84414,N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline chloride,CCN(CC[N+]1=CC=CC=C1)C2=CC=CC=C2.[Cl-],"InChI=1S/C15H19N2.ClH/c1-2-17(15-9-5-3-6-10-15)14-13-16-11-7-4-8-12-16;/h3-12H,2,13-14H2,1H3;1H/q+1;/p-1",BKROMFFRLPSNBH-UHFFFAOYSA-M,C15H19ClN2,262.78,262.1236763,,7.1,193,0,0,2,5,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3-PYRROLIDINEDIONE, 4-[(4-HYDROXY-3-METHOXYPHENYL)METHYLENE]-1-METHYL-",014646-15-2,84572,"4-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-methylpyrrolidine-2,3-dione",CN1CC(=CC2=CC(=C(C=C2)O)OC)C(=O)C1=O,"InChI=1S/C13H13NO4/c1-14-7-9(12(16)13(14)17)5-8-3-4-10(15)11(6-8)18-2/h3-6,15H,7H2,1-2H3",IRSSPCVUYLQFJE-UHFFFAOYSA-N,C13H13NO4,247.25,247.0844579,0.9,66.8,390,0,1,4,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"5H-TETRAZOLE-5-THIONE, 1,2-DIHYDRO-1-PHENYL-, SODIUM SALT",015052-19-4,23687518,"sodium 1-phenyl-1,2,3-triaza-4-azanidacyclopent-2-ene-5-thione",C1=CC=C(C=C1)N2C(=S)[N-]N=N2.[Na+],"InChI=1S/C7H6N4S.Na/c12-7-8-9-10-11(7)6-4-2-1-3-5-6;/h1-5H,(H,8,10,12);/q;+1/p-1",RSZMKAPXKXEWBY-UHFFFAOYSA-M,C7H5N4NaS,200.2,200.0132616,,61.1,215,0,0,4,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6-Quinazolinesulfonamide, 1,2,3,4-tetrahydro-7-chloro-2-methyl-4-oxo-3-o-tolyl",017560-51-9,4170,"7-chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2-dihydroquinazoline-6-sulfonamide",CC1NC2=CC(=C(C=C2C(=O)N1C3=CC=CC=C3C)S(=O)(=O)N)Cl,"InChI=1S/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23)",AQCHWTWZEMGIFD-UHFFFAOYSA-N,C16H16ClN3O3S,365.8,365.0600902,4.1,101,594,0,2,5,2,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NAPHTHACENE, 5,12-BIS(PHENYLETHYNYL)-",018826-29-4,87816,"5,12-bis(2-phenylethynyl)tetracene",C1=CC=C(C=C1)C#CC2=C3C=CC=CC3=C(C4=CC5=CC=CC=C5C=C42)C#CC6=CC=CC=C6,"InChI=1S/C34H20/c1-3-11-25(12-4-1)19-21-31-29-17-9-10-18-30(29)32(22-20-26-13-5-2-6-14-26)34-24-28-16-8-7-15-27(28)23-33(31)34/h1-18,23-24H",OUHYGBCAEPBUNA-UHFFFAOYSA-N,C34H20,428.5,428.1565006,9.4,0,741,0,0,0,4,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"21H,23H-PORPHINE-2-PROPANOIC ACID, 18-CARBOXY-20-(CARBOXYMETHYL)-8-ETHENYL-13-",019660-77-6,5479494,"(17S,18S)-18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid",CCC1=C(C2=CC3=C(C(=C(N3)C=C4[C@H]([C@@H](C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)O)CC(=O)O)CCC(=O)O)C)C)C=C)C,"InChI=1S/C34H36N4O6/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23/h7,12-14,17,21,35-36H,1,8-11H2,2-6H3,(H,39,40)(H,41,42)(H,43,44)/t17-,21-/m0/s1",OYINILBBZAQBEV-UWJYYQICSA-N,C34H36N4O6,596.7,596.2634849,4.6,169,1090,0,5,8,8,44,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"GALLIUM, CHLORO[29H,31H-PHTHALOCYANINATO(2-)-N29,N30,N31,N32]-, (SP-5-12)-",019717-79-4,16685114,"38-chloro-9,18,27,36,37,39,40,41-octaza-38-galladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene",C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C6N4[Ga](N7C(=NC2=N3)C8=CC=CC=C8C7=NC9=NC(=N6)C1=CC=CC=C19)Cl,InChI=1S/C32H16N8.ClH.Ga/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;;/h1-16H;1H;/q-2;;+3/p-1,PRMHOXAMWFXGCO-UHFFFAOYSA-M,C32H16ClGaN8,617.7,616.04422,,82.3,1190,0,0,2,0,42,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 3,4,5-trimethoxy-, diester with tetrahydro-1H-1,4-diazepine-1,4(",020153-98-4,6419915,"3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate;dihydrochloride",COC1=CC(=CC(=C1OC)OC)C(=O)OCCCN2CCCN(CC2)CCCOC(=O)C3=CC(=C(C(=C3)OC)OC)OC.Cl.Cl,"InChI=1S/C31H44N2O10.2ClH/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4;;/h18-21H,7-17H2,1-6H3;2*1H",VILIWRRWAWKXRW-UHFFFAOYSA-N,C31H46Cl2N2O10,677.6,676.2529511,,114,727,0,2,12,18,45,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-2,4A-METHANONAPHTHALEN-8(5H)-ONE, 1,3,4,6,7,8A-HEXAHYDRO-1,1,5,5-TETRAMETHY",023787-90-8,90978,"2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one",CC1(CCC(=O)C2C13CCC(C3)C2(C)C)C,"InChI=1S/C15H24O/c1-13(2)7-6-11(16)12-14(3,4)10-5-8-15(12,13)9-10/h10,12H,5-9H2,1-4H3",VCOCESNMLNDPLX-UHFFFAOYSA-N,C15H24O,220.35,220.1827154,4,17.1,352,0,0,1,0,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"QUINOLINIUM, 6-ETHOXY-1-METHYL-2-[2-(3-NITROPHENYL)ETHENYL]-, METHYL SULFATE",025910-85-4,6438045,6-ethoxy-1-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinolin-1-ium;methyl sulfate,CCOC1=CC2=C(C=C1)[N+](=C(C=C2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])C.COS(=O)(=O)[O-],"InChI=1S/C20H19N2O3.CH4O4S/c1-3-25-19-11-12-20-16(14-19)8-10-17(21(20)2)9-7-15-5-4-6-18(13-15)22(23)24;1-5-6(2,3)4/h4-14H,3H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1/b9-7+;",ZXQHSPWBYMLHLB-BXTVWIJMSA-M,C21H22N2O7S,446.5,446.1147722,,134,567,0,0,7,4,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4A,7-METHANO-4AH-NAPHTH[1,8A-B]OXIRENE, OCTAHYDRO-4,4,8,8-TETRAMETHYL-, [1AR-(",026619-69-2,11264493,"(1R,5R,7S,9S)-2,2,8,8-tetramethyl-6-oxatetracyclo[7.2.1.01,7.05,7]dodecane",CC1(CC[C@@H]2[C@]3([C@@]14CC[C@@H](C4)C3(C)C)O2)C,"InChI=1S/C15H24O/c1-12(2)7-6-11-15(16-11)13(3,4)10-5-8-14(12,15)9-10/h10-11H,5-9H2,1-4H3/t10-,11+,14+,15-/m0/s1",VQHLGZRKOZIABH-DRABBMOASA-N,C15H24O,220.35,220.1827154,3.8,12.5,370,0,0,1,0,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"1H-PYRROLE-2,5-DIONE, 1-[4-(1H-BENZIMIDAZOL-2-YL)PHENYL]-",027030-97-3,117909,"1-[4-(1H-benzimidazol-2-yl)phenyl]pyrrole-2,5-dione",C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N4C(=O)C=CC4=O,"InChI=1S/C17H11N3O2/c21-15-9-10-16(22)20(15)12-7-5-11(6-8-12)17-18-13-3-1-2-4-14(13)19-17/h1-10H,(H,18,19)",NZDOXVCRXDAVII-UHFFFAOYSA-N,C17H11N3O2,289.29,289.0851266,2.4,66.1,478,0,1,3,2,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"(1,3)Dioxolo(4,5-g)cinnoline-3-carboxylic acid, 1,4-dihydro-1-ethyl-4-oxo-",028657-80-9,2762,"1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid",CCN1C2=CC3=C(C=C2C(=O)C(=N1)C(=O)O)OCO3,"InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)",VDUWPHTZYNWKRN-UHFFFAOYSA-N,C12H10N2O5,262.22,262.0589714,2.1,88.4,449,0,1,7,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
QUATERPHENYL,029036-02-0,14422,1-phenyl-3-(3-phenylphenyl)benzene,C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=CC(=C3)C4=CC=CC=C4,InChI=1S/C24H18/c1-3-9-19(10-4-1)21-13-7-15-23(17-21)24-16-8-14-22(18-24)20-11-5-2-6-12-20/h1-18H,OWPJBAYCIXEHFA-UHFFFAOYSA-N,C24H18,306.4,306.1408506,6.8,0,324,0,0,0,3,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BUTANAL, 4-(OCTAHYDRO-4,7-METHANO-5H-INDEN-5-YLIDENE)-",030168-23-1,6438291,"(4E)-4-(8-tricyclo[5.2.1.02,6]decanylidene)butanal",C1CC2C(C1)C\3CC2C/C3=C\CCC=O,"InChI=1S/C14H20O/c15-7-2-1-4-10-8-11-9-14(10)13-6-3-5-12(11)13/h4,7,11-14H,1-3,5-6,8-9H2/b10-4+",WFEISWUNAJPLRX-ONNFQVAWSA-N,C14H20O,204.31,204.1514153,2.8,17.1,292,0,0,1,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BICYCLO[7.2.0]UNDEC-3-EN-5-OL, 4,11,11-TRIMETHYL-8-METHYLENE-, ACETATE",032214-91-8,105755,"(4,11,11-trimethyl-8-methylidene-5-bicyclo[7.2.0]undec-3-enyl) acetate",CC1=CCC2C(CC2(C)C)C(=C)CCC1OC(=O)C,"InChI=1S/C17H26O2/c1-11-7-9-16(19-13(3)18)12(2)6-8-15-14(11)10-17(15,4)5/h6,14-16H,1,7-10H2,2-5H3",OCLOVRSVPZPWHE-UHFFFAOYSA-N,C17H26O2,262.4,262.1932801,3.7,26.3,417,0,0,2,2,19,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"4H-INDEN-4-ONE, 1,2,3,5,6,7-HEXAHYDRO-1,1,2,3,3-PENTAMETHYL-",033704-61-9,92292,"1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroinden-4-one",CC1C(C2=C(C1(C)C)C(=O)CCC2)(C)C,"InChI=1S/C14H22O/c1-9-13(2,3)10-7-6-8-11(15)12(10)14(9,4)5/h9H,6-8H2,1-5H3",MIZGSAALSYARKU-UHFFFAOYSA-N,C14H22O,206.32,206.1670653,3.3,17.1,344,0,0,1,0,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"2(1H)-NAPHTHALENONE, OCTAHYDRO-6-(1-METHYLETHYL)-",034131-98-1,118134,"6-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one",CC(C)C1CCC2CC(=O)CCC2C1,"InChI=1S/C13H22O/c1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10/h9-12H,3-8H2,1-2H3",HEKJOMVJRYMUDB-UHFFFAOYSA-N,C13H22O,194.31,194.1670653,3.5,17.1,219,0,0,1,1,14,,273.00 to 274.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"4-THIAZOLIDINONE, 5-(1-METHYL-2(1H)-PYRIDINYLIDENE)-3-(2-PROPENYL)-2-THIOXO-",034330-15-9,118645,"5-(1-methyl-2-pyridinylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one",CN1C=CC=CC1=C2C(=O)N(C(=S)S2)CC=C,"InChI=1S/C12H12N2OS2/c1-3-7-14-11(15)10(17-12(14)16)9-6-4-5-8-13(9)2/h3-6,8H,1,7H2,2H3",OSDPOVMRUCMJBN-UHFFFAOYSA-N,C12H12N2OS2,264.4,264.0391054,2.8,80.9,477,0,0,4,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-OXAZOLIDINONE, 3-ETHYL-5-[(3-METHYL-2-THIAZOLIDINYLIDENE)ETHYLIDENE]-2-THIOX",035795-44-9,5498516,"(5E)-3-ethyl-5-[(2E)-2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one",CCN1C(=O)/C(=C\C=C\2/N(CCS2)C)/OC1=S,"InChI=1S/C11H14N2O2S2/c1-3-13-10(14)8(15-11(13)16)4-5-9-12(2)6-7-17-9/h4-5H,3,6-7H2,1-2H3/b8-4+,9-5+",SAEAAROWQNNEDY-KBXRYBNXSA-N,C11H14N2O2S2,270.4,270.04967,2.2,90.2,418,0,0,5,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BICYCLO[7.2.0]UNDECAN-5-OL, 10,10-DIMETHYL-2,6-BIS(METHYLENE)-",038284-26-3,527418,"10,10-dimethyl-2,6-dimethylidenebicyclo[7.2.0]undecan-5-ol",CC1(CC2C1CCC(=C)C(CCC2=C)O)C,"InChI=1S/C15H24O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h12-14,16H,1-2,5-9H2,3-4H3",CIIYOYPOMGIECX-UHFFFAOYSA-N,C15H24O,220.35,220.1827154,3.3,20.2,313,0,1,1,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"CYCLODODECOXAZOLE, 4,5,6,7,8,9,10,11,12,13-DECAHYDRO-",038303-23-0,162297,"4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]oxazole",C1CCCCCC2=C(CCCC1)N=CO2,"InChI=1S/C13H21NO/c1-2-4-6-8-10-13-12(14-11-15-13)9-7-5-3-1/h11H,1-10H2",LUVGCXAXOHXTEI-UHFFFAOYSA-N,C13H21NO,207.31,207.1623143,4.7,26,172,0,0,2,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-PYRROLO[2,3-B]PYRIDINE, 2,3-DIHYDRO-1,3,3-TRIMETHYL-2-METHYLENE-",041450-85-5,170513,"1,3,3-trimethyl-2-methylidenepyrrolo[2,3-b]pyridine",CC1(C(=C)N(C2=C1C=CC=N2)C)C,"InChI=1S/C11H14N2/c1-8-11(2,3)9-6-5-7-12-10(9)13(8)4/h5-7H,1H2,2-4H3",NGFQLLYOAHLAJX-UHFFFAOYSA-N,C11H14N2,174.24,174.1156985,2.7,16.1,232,0,0,2,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-BENZ[E]INDOLE, 1,1,2-TRIMETHYL-",041532-84-7,170530,"1,1,2-trimethylbenzo[e]indole",CC1=NC2=C(C1(C)C)C3=CC=CC=C3C=C2,"InChI=1S/C15H15N/c1-10-15(2,3)14-12-7-5-4-6-11(12)8-9-13(14)16-10/h4-9H,1-3H3",WJZSZXCWMATYFX-UHFFFAOYSA-N,C15H15N,209.29,209.1204495,3.5,12.4,315,0,0,1,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,5-TRIAZINE, 2-[2-(4-METHOXYPHENYL)ETHENYL]-4,6-BIS(TRICHLOROMETHYL)-",042573-57-9,170671,"2-[2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine",COC1=CC=C(C=C1)C=CC2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,"InChI=1S/C14H9Cl6N3O/c1-24-9-5-2-8(3-6-9)4-7-10-21-11(13(15,16)17)23-12(22-10)14(18,19)20/h2-7H,1H3",MCNPOZMLKGDJGP-UHFFFAOYSA-N,C14H9Cl6N3O,447.9,446.884728,5.6,47.9,409,0,0,4,3,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,5-TRIAZINE-2,4-DIAMINE, 6-[2-(2-UNDECYL-1H-IMIDAZOL-1-YL)ETHYL]-",050729-75-4,162605,"6-[2-(2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine",CCCCCCCCCCCC1=NC=CN1CCC2=NC(=NC(=N2)N)N,"InChI=1S/C19H33N7/c1-2-3-4-5-6-7-8-9-10-11-17-22-13-15-26(17)14-12-16-23-18(20)25-19(21)24-16/h13,15H,2-12,14H2,1H3,(H4,20,21,23,24,25)",QZDGTFKTHGKXEP-UHFFFAOYSA-N,C19H33N7,359.5,359.2797441,4.8,109,345,0,2,6,13,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANAMIDE, N-(6-OXO-6H-ANTHRA[9,1-CD]ISOTHIAZOL-7-YL)-",050988-02-8,170950,"N-(8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-6-yl)propanamide",CCC(=O)NC1=CC=CC2=C1C(=O)C3=C4C2=NSC4=CC=C3,"InChI=1S/C17H12N2O2S/c1-2-13(20)18-11-7-3-5-9-14(11)17(21)10-6-4-8-12-15(10)16(9)19-22-12/h3-8H,2H2,1H3,(H,18,20)",AMXYNQQEZKMKJU-UHFFFAOYSA-N,C17H12N2O2S,308.4,308.0619488,3.7,87.3,483,0,1,4,2,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENEACETALDEHYDE, .ALPHA.-(2-FURANYLMETHYLENE)-",057568-60-2,6435876,(E)-3-(furan-2-yl)-2-phenylprop-2-enal,C1=CC=C(C=C1)/C(=C\C2=CC=CO2)/C=O,InChI=1S/C13H10O2/c14-10-12(9-13-7-4-8-15-13)11-5-2-1-3-6-11/h1-10H/b12-9-,JPESOGFYFXAURP-XFXZXTDPSA-N,C13H10O2,198.22,198.0680796,2.5,30.2,239,0,0,2,3,15,,325.00 to 327.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"NAPHTHO[1,2-D]THIAZOLIUM, 1-(3-SULFOPROPYL)-2-[[3-(3-SULFOPROPYL)-2(3H)-BENZOT",060760-42-1,108502,"N,N-diethylethanamine;3-[2-[[3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate",CCN(CC)CC.C1=CC=C2C(=C1)C=CC3=C2[N+](=C(S3)C=C4N(C5=CC=CC=C5S4)CCCS(=O)(=O)O)CCCS(=O)(=O)[O-],"InChI=1S/C25H24N2O6S4.C6H15N/c28-36(29,30)15-5-13-26-20-9-3-4-10-21(20)34-23(26)17-24-27(14-6-16-37(31,32)33)25-19-8-2-1-7-18(19)11-12-22(25)35-24;1-4-7(5-2)6-3/h1-4,7-12,17H,5-6,13-16H2,(H-,28,29,30,31,32,33);4-6H2,1-3H3",RTHHIXINZMFGEU-UHFFFAOYSA-N,C31H39N3O6S4,677.9,677.1721707,,192,1050,0,1,10,11,44,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEDIAZONIUM, 2-METHOXY-4-NITRO-, 1,5-NAPHTHALENEDISULFONATE (2:1)",061925-55-1,151692,"bis(2-methoxy-4-nitrobenzenediazonium);naphthalene-1,5-disulfonate",COC1=C(C=CC(=C1)[N+](=O)[O-])[N+]#N.COC1=C(C=CC(=C1)[N+](=O)[O-])[N+]#N.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-],"InChI=1S/C10H8O6S2.2C7H6N3O3/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;2*1-13-7-4-5(10(11)12)2-3-6(7)9-8/h1-6H,(H,11,12,13)(H,14,15,16);2*2-4H,1H3/q;2*+1/p-2",NBJGTSKKWFZFEJ-UHFFFAOYSA-L,C24H18N6O12S2,646.6,646.0424124,,298,664,0,0,14,2,44,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-BENZENEDICARBOXYLIC ACID, 3-NITRO-, COMPD. WITH PYRIDINE (1:1)",063451-32-1,113229,3-nitrophthalic acid;pyridine,C1=CC=NC=C1.C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O,"InChI=1S/C8H5NO6.C5H5N/c10-7(11)4-2-1-3-5(9(14)15)6(4)8(12)13;1-2-4-6-5-3-1/h1-3H,(H,10,11)(H,12,13);1-5H",BEUKKBRRUALXBQ-UHFFFAOYSA-N,C13H10N2O6,290.23,290.053886,,133,327,0,2,7,2,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"BENZENESULFONIC ACID, 2-AMINO-5-[(4-AMINO-3-SULFOPHENYL)(4-IMINO-3-SULFO-2,5-C",068109-73-9,451476,"disodium;6-azaniumylidene-3-[bis(4-amino-3-sulfonatophenyl)methylidene]-5-methylcyclohexa-1,4-diene-1-sulfonate",CC1=CC(=C(C2=CC(=C(C=C2)N)S(=O)(=O)[O-])C3=CC(=C(C=C3)N)S(=O)(=O)[O-])C=C(C1=[NH2+])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C20H19N3O9S3.2Na/c1-10-6-13(9-18(20(10)23)35(30,31)32)19(11-2-4-14(21)16(7-11)33(24,25)26)12-3-5-15(22)17(8-12)34(27,28)29;;/h2-9,23H,21-22H2,1H3,(H,24,25,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2",WZRZTHMJPHPAMU-UHFFFAOYSA-L,C20H17N3Na2O9S3,585.5,584.9922312,,274,1200,0,3,11,2,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-PYRROLIDINEDIONE, 1-[[(4-NITROPHENYL)ACETYL]OXY]-",068123-33-1,100796,"(2,5-dioxopyrrolidin-1-yl) 2-(4-nitrophenyl)acetate",C1CC(=O)N(C1=O)OC(=O)CC2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C12H10N2O6/c15-10-5-6-11(16)13(10)20-12(17)7-8-1-3-9(4-2-8)14(18)19/h1-4H,5-7H2",JUEAHIVORWVODA-UHFFFAOYSA-N,C12H10N2O6,278.22,278.053886,0.7,110,420,0,0,6,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"NAPHTHALENESULFONIC ACID, BIS(1-METHYLETHYL)-, COMPD. WITH CYCLOHEXANAMINE (1:",068425-61-6,110239,"cyclohexanamine;5,7-di(propan-2-yl)naphthalene-2-sulfonic acid",CC(C)C1=CC(=C2C=CC(=CC2=C1)S(=O)(=O)O)C(C)C.C1CCC(CC1)N,"InChI=1S/C16H20O3S.C6H13N/c1-10(2)12-7-13-8-14(20(17,18)19)5-6-15(13)16(9-12)11(3)4;7-6-4-2-1-3-5-6/h5-11H,1-4H3,(H,17,18,19);6H,1-5,7H2",LGDCMRBOMGAXHN-UHFFFAOYSA-N,C22H33NO3S,391.6,391.2181151,,88.8,468,0,2,4,3,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"SULFONIUM, [5-(1,1-DIMETHYLETHYL)-4-(2,2-DIMETHYLPROPYL)-3H-1,2-DITHIOL-3-YLID",068784-93-0,111589,"3-tert-butyl-4-(2,2-dimethylpropyl)-5-methylsulfanyldithiol-1-ium chloride",CC(C)(C)CC1=C(S[S+]=C1SC)C(C)(C)C.[Cl-],"InChI=1S/C13H23S3.ClH/c1-12(2,3)8-9-10(13(4,5)6)15-16-11(9)14-7;/h8H2,1-7H3;1H/q+1;/p-1",PZAXPDVHHXBKOS-UHFFFAOYSA-M,C13H23ClS3,311,310.0650419,,81.8,224,0,0,3,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzimidazole, 1-(p-fluorobenzyl)-2-((1-(2-(p-methoxyphenyl)ethyl)piperid-4-yl",068844-77-9,2247,1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine,COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F,"InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)",GXDALQBWZGODGZ-UHFFFAOYSA-N,C28H31FN4O,458.6,458.2481898,6,42.3,599,0,1,5,8,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIOXOLANE, 2-[6-METHYL-8-(1-METHYLETHYL)BICYCLO[2.2.2]OCT-5-EN-2-YL]-",068901-32-6,111418,"2-(6-methyl-8-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl)-1,3-dioxolane",CC1=CC2CC(C1CC2C(C)C)C3OCCO3,"InChI=1S/C15H24O2/c1-9(2)12-8-13-10(3)6-11(12)7-14(13)15-16-4-5-17-15/h6,9,11-15H,4-5,7-8H2,1-3H3",QSWPBUXWYKVPMT-UHFFFAOYSA-N,C15H24O2,236.35,236.17763,3,18.5,315,0,0,2,2,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 5-[[4-[(2-BROMO-1-OXO-2-PROPENYL)AMINO]BENZOYL",070210-00-3,153109,"trisodium;5-[[4-(2-bromoprop-2-enoylamino)benzoyl]amino]-3-[[5-(2-bromoprop-2-enoylamino)-2-sulfonatophenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate",C=C(C(=O)NC1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=C3O)N=NC4=C(C=CC(=C4)NC(=O)C(=C)Br)S(=O)(=O)[O-])S(=O)(=O)[O-])Br.[Na+].[Na+].[Na+],"InChI=1S/C29H21Br2N5O13S3.3Na/c1-13(30)27(38)32-17-5-3-15(4-6-17)29(40)34-21-12-19(50(41,42)43)9-16-10-23(52(47,48)49)25(26(37)24(16)21)36-35-20-11-18(33-28(39)14(2)31)7-8-22(20)51(44,45)46;;;/h3-12,37H,1-2H2,(H,32,38)(H,33,39)(H,34,40)(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3",IRCYJZISJKRUHJ-UHFFFAOYSA-K,C29H18Br2N5Na3O13S3,969.5,968.81026,,329,1730,0,4,15,8,55,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 4-[[2-AMINO-4-HYDROXY-5-[(2-HYDROXY-3,5-DINITR",070660-46-7,16131250,"4-[[2-amino-4-hydroxy-5-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]-3-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid",C1=CC(=CC=C1N=NC2=C(C(=CC(=C2O)N=NC3=C(C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])O)N=NC4=C5C(=CC(=C4)S(=O)(=O)O)C=C(C=C5O)S(=O)(=O)O)N)[N+](=O)[O-],"InChI=1S/C28H18N10O15S2/c29-25-19(32-31-18-9-16(54(48,49)50)5-12-6-17(55(51,52)53)10-23(39)24(12)18)11-21(28(41)26(25)35-30-13-1-3-14(4-2-13)36(42)43)34-33-20-7-15(37(44)45)8-22(27(20)40)38(46)47/h1-11,39-41H,29H2,(H,48,49,50)(H,51,52,53)",RPJPUAFITPRDCK-UHFFFAOYSA-N,C28H18N10O15S2,798.6,798.0394523,4.3,424,1720,0,6,22,8,55,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"13-OXABICYCLO[10.1.0]TRIDECA-4,8-DIENE, TRIMETHYL-",071735-79-0,6441804,"(4Z,8Z)-1,2,2-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene",CC1(C/C=C\CC/C=C\CCC2C1(O2)C)C,"InChI=1S/C15H24O/c1-14(2)12-10-8-6-4-5-7-9-11-13-15(14,3)16-13/h5,7-8,10,13H,4,6,9,11-12H2,1-3H3/b7-5-,10-8-",PUXIGTZUWRBNMW-RRMOSLQNSA-N,C15H24O,220.35,220.1827154,4.2,12.5,301,0,0,1,0,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"1H-2-BENZOPYRAN, 3,4,4A,5,8,8A(OR 3,4,4A,7,8,8A)-HEXAHYDRO-3,3,6,7-TETRAMETHYL",072429-08-4,3085817,"(4aS,6R,7S,8aR)-3,3,6,7-tetramethyl-2,4,4a,5,6,7,8,8a-octahydrochromene",C[C@@H]1C[C@H]2CC(CO[C@@H]2C[C@@H]1C)(C)C,"InChI=1S/C13H24O/c1-9-5-11-7-13(3,4)8-14-12(11)6-10(9)2/h9-12H,5-8H2,1-4H3/t9-,10+,11+,12-/m1/s1",QJXQUYFHUHWIDD-NOOOWODRSA-N,C13H24O,196.33,196.1827154,3.8,9.2,209,0,0,1,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-XANTHENO[2,1,9-DEF]ISOQUINOLINEDISULFONIC ACID, 2,3-DIHYDRO-2-(2-HYDROXYETH",072845-94-4,3085867,"bis(2-hydroxyethylazanium);14-(2-hydroxyethyl)-13,15-dioxo-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-4,6-disulfonate",C1=CC2=C3C(=CC=C4C3=C1C5=C(O4)C(=CC(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)N(C2=O)CCO.C(CO)[NH3+].C(CO)[NH3+],"InChI=1S/C20H13NO10S2.2C2H7NO/c22-6-5-21-19(23)11-2-1-10-13-7-9(32(25,26)27)8-15(33(28,29)30)18(13)31-14-4-3-12(20(21)24)16(11)17(10)14;2*3-1-2-4/h1-4,7-8,22H,5-6H2,(H,25,26,27)(H,28,29,30);2*4H,1-3H2",QVBXNCYILVOQRY-UHFFFAOYSA-N,C24H27N3O12S2,613.6,613.1036157,,294,1030,0,5,12,4,41,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-ISOBENZOFURANDIONE, 3A,4,5,7A-TETRAHYDRO-7-METHYL-5-(TETRAHYDRO-2,5-DIOXO-",073003-90-4,175380,"5-(2,5-dioxooxolan-3-yl)-7-methyl-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione",CC1=CC(CC2C1C(=O)OC2=O)C3CC(=O)OC3=O,"InChI=1S/C13H12O6/c1-5-2-6(7-4-9(14)18-11(7)15)3-8-10(5)13(17)19-12(8)16/h2,6-8,10H,3-4H2,1H3",DGQOZCNCJKEVOA-UHFFFAOYSA-N,C13H12O6,264.23,264.0633881,-0.1,86.7,531,0,0,6,1,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PYRIMIDINIUM, 2,3-DIHYDRO-1,3-DIMETHYL-4-[(METHYLPHENYLHYDRAZONO)METHYL]-2-OXO",073297-08-2,44147127,"1,3-dimethyl-4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]pyrimidin-1-ium-2-one chloride",CN1C(=CC=[N+](C1=O)C)/C=N/N(C)C2=CC=CC=C2.[Cl-],"InChI=1S/C14H17N4O.ClH/c1-16-10-9-13(17(2)14(16)19)11-15-18(3)12-7-5-4-6-8-12;/h4-11H,1-3H3;1H/q+1;/p-1",GDRDLKDNLFFMSS-UHFFFAOYSA-M,C14H17ClN4O,292.76,292.1090889,,38.9,433,0,0,4,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
Mycinamicin-II-,073684-69-2,6917042,"(1R,2S,3R,6E,8S,9S,10S,12R,14E,16S)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-8,10,12-trimethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione",CC[C@@H]1[C@]([C@H]2[C@@H](O2)/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C)(CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC)O,"InChI=1S/C37H61NO13/c1-11-27-37(43,18-46-36-33(45-10)32(44-9)29(41)23(6)48-36)34-26(49-34)14-13-25(39)20(3)16-21(4)31(19(2)12-15-28(40)50-27)51-35-30(42)24(38(7)8)17-22(5)47-35/h12-15,19-24,26-27,29-36,41-43H,11,16-18H2,1-10H3/b14-13+,15-12+/t19-,20+,21-,22+,23+,24-,26-,27+,29+,30+,31+,32+,33+,34+,35-,36+,37-/m0/s1",WWIDEZOUVSJVHS-ZPQCYHEESA-N,C37H61NO13,727.9,727.414291,2,175,1210,0,3,14,9,51,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"5-Heptenoic acid, 7-(2-(5-cyclohexyl-3-hydroxy-1-pentynyl)-3,5-dihydroxycyclop",074176-31-1,6917795,"methyl (Z)-7-[(1R,2S,3R,5S)-2-[(3S)-5-cyclohexyl-3-hydroxypent-1-ynyl]-3,5-dihydroxycyclopentyl]hept-5-enoate",COC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1C#C[C@H](CCC2CCCCC2)O)O)O,"InChI=1S/C24H38O5/c1-29-24(28)12-8-3-2-7-11-20-21(23(27)17-22(20)26)16-15-19(25)14-13-18-9-5-4-6-10-18/h2,7,18-23,25-27H,3-6,8-14,17H2,1H3/b7-2-/t19-,20+,21+,22-,23+/m0/s1",OZDSQCVLNUIYLN-JNAAKWLTSA-N,C24H38O5,406.6,406.2719243,3.9,87,581,0,3,5,10,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"2-NAPHTHALENESULFONIC ACID, 6-AMINO-5-[[4-[(2-BROMO-1-OXO-2-PROPENYL)AMINO]-2-",085187-33-3,160088,disodium;6-amino-5-[[4-(2-bromoprop-2-enoylamino)-2-(4-methyl-3-sulfonatophenyl)sulfonylphenyl]diazenyl]naphthalene-2-sulfonate,CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C(=C)Br)N=NC3=C(C=CC4=C3C=CC(=C4)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C26H21BrN4O9S3.2Na/c1-14-3-6-18(13-23(14)43(38,39)40)41(33,34)24-12-17(29-26(32)15(2)27)5-10-22(24)30-31-25-20-8-7-19(42(35,36)37)11-16(20)4-9-21(25)28;;/h3-13H,2,28H2,1H3,(H,29,32)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2",QTUYUTJUQCCNBJ-UHFFFAOYSA-L,C26H19BrN4Na2O9S3,753.5,751.92929,,254,1380,0,2,12,6,45,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"IRON, [.MU.-[3-[[5-[[2,4-DIHYDROXY-5-[(2-HYDROXY-3-NITRO-5-SULFOPHENYL)AZO]PHE",085392-59-2,135802254,3-[[2-hydroxy-5-[[4-hydroxy-5-[(3-nitro-2-oxido-5-sulfonatophenyl)diazenyl]-2-oxidophenyl]methyl]-4-oxidophenyl]diazenyl]-5-nitro-2-oxidobenzenesulfonate;bis(iron(3+)),C1=C(C=C(C(=C1N=NC2=C(C=C(C(=C2)CC3=CC(=C(C=C3[O-])O)N=NC4=C(C(=CC(=C4)S(=O)(=O)[O-])[N+](=O)[O-])[O-])[O-])O)[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Fe+3].[Fe+3],"InChI=1S/C25H18N6O16S2.2Fe/c32-19-8-21(34)14(26-28-16-4-12(30(38)39)5-23(25(16)37)49(45,46)47)2-10(19)1-11-3-15(22(35)9-20(11)33)27-29-17-6-13(48(42,43)44)7-18(24(17)36)31(40)41;;/h2-9,32-37H,1H2,(H,42,43,44)(H,45,46,47);;/q;2*+3/p-6",CSKNPQXSHYOIEH-UHFFFAOYSA-H,C25H12Fe2N6O16S2,828.2,827.844992,,405,1440,0,2,20,6,51,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"4-Imidazolidinecarboxylic acid, 3-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino",089396-94-1,5485193,(4S)-3-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid;hydrochloride,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@@H](CN(C2=O)C)C(=O)O.Cl,"InChI=1S/C20H27N3O6.ClH/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28;/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26);1H/t13-,15-,16-;/m0./s1",LSLQGMMMRMDXHN-GEUPQXMHSA-N,C20H28ClN3O6,441.9,441.1666633,,116,619,0,3,7,10,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"FURAN, TETRAHYDRO-2,4-DIMETHYL-4-PHENYL-, CIS-",099343-90-5,113514,"2,4-dimethyl-4-phenyloxolane",CC1CC(CO1)(C)C2=CC=CC=C2,"InChI=1S/C12H16O/c1-10-8-12(2,9-13-10)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",GPMLJOOQCIHFET-UHFFFAOYSA-N,C12H16O,176.25,176.1201151,2.9,9.2,172,0,0,1,1,13,,248.00 to 249.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0
"Benzamide, N-(4-oxo-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-8-yl)-4-(4-phenylbuto",103177-37-3,4887,N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-4-(4-phenylbutoxy)benzamide,C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5,"InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)",NBQKINXMPLXUET-UHFFFAOYSA-N,C27H23N5O4,481.5,481.1750042,4.2,119,778,0,2,7,9,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,8-Naphthyridine-3-carboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluor",115964-29-9,93858,"7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;4-methylbenzenesulfonic acid",CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=C(C=C(C=C4)F)F)C(=O)O)F,"InChI=1S/C19H15F3N4O3.C7H8O3S/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29);2-5H,1H3,(H,8,9,10)",CSSQVOKOWWIUCX-UHFFFAOYSA-N,C26H23F3N4O6S,576.5,576.1290401,,163,915,0,3,13,4,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Pyridinecarbonitrile, 1,2-dihydro-5-(imidazo(1,2-a)pyridin-6-yl)-6-methyl-2-",119615-63-3,115227,"5-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile;hydrochloride",CC1=C(C=C(C(=O)N1)C#N)C2=CN3C=CN=C3C=C2.Cl,"InChI=1S/C14H10N4O.ClH/c1-9-12(6-11(7-15)14(19)17-9)10-2-3-13-16-4-5-18(13)8-10;/h2-6,8H,1H3,(H,17,19);1H",PWTBMBAQRAOAFF-UHFFFAOYSA-N,C14H11ClN4O,286.71,286.0621387,,70.2,525,0,2,3,1,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(1H)-Pyrimidinone, 4-amino-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-",134678-17-4,60825,"4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one",C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N,"InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1",JTEGQNOMFQHVDC-NKWVEPMBSA-N,C8H11N3O3S,229.26,229.0521124,-0.9,113,331,0,2,4,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,1
ZALEPLON (SONATA),151319-34-5,5719,"N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide",CCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C#N)C(=O)C,"InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3",HUNXMJYCHXQEGX-UHFFFAOYSA-N,C17H15N5O,305.33,305.1276601,1,74.3,487,0,0,4,3,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
REACTIVE BLUE 21,012236-86-1,72941500,"copper 33-[[4-(2-hydroxyethylsulfonyl)phenyl]sulfamoyl]-2,11,20,29,39,40-hexaza-37,38-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-6,15,24-trisulfonic acid",C1=CC(=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)C4=NC5=NC(=NC6=NC(=NC7=C8C=C(C=CC8=C([N-]7)N=C3[N-]4)S(=O)(=O)O)C9=C6C=C(C=C9)S(=O)(=O)O)C1=C5C=C(C=C1)S(=O)(=O)O)S(=O)(=O)CCO.[Cu+2],"InChI=1S/C40H25N9O14S5.Cu/c50-13-14-64(51,52)20-3-1-19(2-4-20)49-65(53,54)21-5-9-25-29(15-21)37-41-33(25)43-38-31-17-23(67(58,59)60)7-11-27(31)35(45-38)47-40-32-18-24(68(61,62)63)8-12-28(32)36(48-40)46-39-30-16-22(66(55,56)57)6-10-26(30)34(42-37)44-39;/h1-12,15-18,49-50H,13-14H2,(H3-2,41,42,43,44,45,46,47,48,55,56,57,58,59,60,61,62,63);/q-2;+2",WXQMFIJLJLLQIS-UHFFFAOYSA-N,C40H25CuN9O14S5,1079.6,1077.942049,,385,2430,0,5,23,9,69,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CSPD,142849-53-4,10322031,"disodium;[3-(1-chloro-3'-methoxyspiro[adamantane-4,4'-dioxetane]-3'-yl)phenyl] phosphate",COC1(C2(C3CC4CC2CC(C4)(C3)Cl)OO1)C5=CC(=CC=C5)OP(=O)([O-])[O-].[Na+].[Na+],"InChI=1S/C18H22ClO7P.2Na/c1-23-18(12-3-2-4-15(7-12)24-27(20,21)22)17(25-26-18)13-5-11-6-14(17)10-16(19,8-11)9-13;;/h2-4,7,11,13-14H,5-6,8-10H2,1H3,(H2,20,21,22);;/q;2*+1/p-2",AASGHQHJTWUGDK-UHFFFAOYSA-L,C18H20ClNa2O7P,460.8,460.0430562,,100,641,0,0,7,3,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,3,5,6,8,9,11,12,14,15-DECAHYDRO-4,13-(ETHANOXYETHANOXYETHANO)-4H,13H-1,7,10,16,4,13-BENZOTETRAOXADIAZACYCLOOCTADECINE",031250-18-7,544918,"4,11,17,20,25,28-hexaoxa-1,14-diazatricyclo[12.8.8.05,10]triaconta-5,7,9-triene",C1COCCOCCN2CCOCCOCCN1CCOC3=CC=CC=C3OCC2,"InChI=1S/C22H36N2O6/c1-2-4-22-21(3-1)29-15-9-23-5-11-25-17-19-27-13-7-24(10-16-30-22)8-14-28-20-18-26-12-6-23/h1-4H,5-20H2",QXLUTPDNMOEWGG-UHFFFAOYSA-N,C22H36N2O6,424.5,424.2573369,0.6,61.9,372,0,0,8,0,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BROMOFERROCENE,001273-73-0,11986944,"bromocyclopentane;cyclopenta-1,3-diene;iron",[CH-]1[CH-][CH-][C-]([CH-]1)Br.[CH-]1C=CC=C1.[Fe],InChI=1S/C5H4Br.C5H5.Fe/c6-5-3-1-2-4-5;1-2-4-5-3-1;/h1-4H;1-5H;/q-5;-1;,SSHINUWNUVHWEX-UHFFFAOYSA-N,C10H9BrFe-6,264.93,263.9237,,0,116,-6,0,6,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5,10,15,20-TETRAKIS(1-METHYL-4-PYRIDINIO)PORPHYRIN TETRA(P-TOLUENESULFONATE)",036951-72-1,135741606,"tetrakis(4-methylbenzenesulfonic acid);5,10,15,20-tetrakis(1-methyl-2H-pyridin-4-yl)-21,23-dihydroporphyrin",CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CN1CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CCN(C=C7)C)C8=CCN(C=C8)C)C=C4)C9=CCN(C=C9)C)N3,"InChI=1S/C44H42N8.4C7H8O3S/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;4*1-6-2-4-7(5-3-6)11(8,9)10/h5-21,23,25,27,45,48H,22,24,26,28H2,1-4H3;4*2-5H,1H3,(H,8,9,10)",REKONXVRGOWDHJ-UHFFFAOYSA-N,C72H74N8O12S4,1371.7,1370.430905,,321,1560,0,6,18,8,96,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POLYHYDRIDODIMETHYLSILOXY-T8-SILSESQUIOXANE,125756-69-6,11274685,,C[Si](C)O[Si]12O[Si]3(O[Si]4(O[Si](O1)(O[Si]5(O[Si](O2)(O[Si](O3)(O[Si](O4)(O5)O[Si](C)C)O[Si](C)C)O[Si](C)C)O[Si](C)C)O[Si](C)C)O[Si](C)C)O[Si](C)C,"InChI=1S/C16H48O20Si16/c1-37(2)17-45-25-46(18-38(3)4)28-49(21-41(9)10)30-47(26-45,19-39(5)6)32-51(23-43(13)14)33-48(27-45,20-40(7)8)31-50(29-46,22-42(11)12)35-52(34-49,36-51)24-44(15)16/h1-16H3",NKAADCIRFJPCOM-UHFFFAOYSA-N,C16H48O20Si16,1009.9,1007.904719,,185,874,0,0,20,16,52,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4(5H)-THIAZOLONE, 2-AMINO-",000556-90-1,11175,"2-amino-1,3-thiazol-4-one",C1C(=O)N=C(S1)N,"InChI=1S/C3H4N2OS/c4-3-5-2(6)1-7-3/h1H2,(H2,4,5,6)",HYMJHROUVPWYNQ-UHFFFAOYSA-N,C3H4N2OS,116.14,116.0044339,-0.3,80.8,131,0,1,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
N-5-AZIDO-2-NITROBENZOYLOXYSUCCINIMIDE,,3080866,"(2,5-dioxopyrrolidin-1-yl) 5-azido-2-nitrobenzoate",C1CC(=O)N(C1=O)OC(=O)C2=C(C=CC(=C2)N=[N+]=[N-])[N+](=O)[O-],"InChI=1S/C11H7N5O6/c12-14-13-6-1-2-8(16(20)21)7(5-6)11(19)22-15-9(17)3-4-10(15)18/h1-2,5H,3-4H2",FUOJEDZPVVDXHI-UHFFFAOYSA-N,C11H7N5O6,305.2,305.039633,1.7,124,550,0,0,8,4,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SULFO BSOCOES,,10232304,"1-[2-[2-(2,5-dioxo-3-sulfopyrrolidin-1-yl)oxycarbonyloxyethylsulfonyl]ethoxycarbonyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid",C1C(C(=O)N(C1=O)OC(=O)OCCS(=O)(=O)CCOC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)O)S(=O)(=O)O,"InChI=1S/C14H16N2O18S3/c17-9-5-7(36(25,26)27)11(19)15(9)33-13(21)31-1-3-35(23,24)4-2-32-14(22)34-16-10(18)6-8(12(16)20)37(28,29)30/h7-8H,1-6H2,(H,25,26,27)(H,28,29,30)",NOYCWFCBEPFQSX-UHFFFAOYSA-N,C14H16N2O18S3,596.5,595.9560252,-2.4,314,1220,0,2,18,14,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
CUCURBIT[7]URIL (CB[7]) HYDRATE,,6096207,"3,5,8,10,13,15,18,20,23,25,28,30,33,35,36,38,40,42,46,48,50,52,54,56,58,60,62,64-octacosazadocosacyclo[30.3.3.36,7.311,12.316,17.321,22.326,27.22,36.231,38.13,35.15,8.110,13.115,18.120,23.125,28.130,33.140,46.142,64.148,50.152,54.156,58.160,62]heptacontane-39,41,43,44,45,47,49,51,53,55,57,59,61,63-tetradecone",C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O,"InChI=1S/C42H42N28O14/c71-29-43-1-44-16-18-48(30(44)72)4-52-20-22-56(34(52)76)8-60-24-26-64(38(60)80)12-68-28-27-67(41(68)83)11-63-25-23-59(37(63)79)7-55-21-19-51(33(55)75)3-47(29)17-15(43)45-2-46(16)32(74)50(18)6-54(20)36(78)58(22)10-62(24)40(82)66(26)14-70(28)42(84)69(27)13-65(25)39(81)61(23)9-57(21)35(77)53(19)5-49(17)31(45)73/h15-28H,1-14H2",ZDOBFUIMGBWEAB-UHFFFAOYSA-N,C42H42N28O14,1163,1162.343528,-8,330,2540,0,0,14,0,84,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"C-1,3 PERFLUORO N-ALKYL MORPHOLINES",1093615-61-2,3545,5-piperazin-1-ylsulfonylisoquinoline,C1CN(CCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3,"InChI=1S/C13H15N3O2S/c17-19(18,16-8-6-14-7-9-16)13-3-1-2-11-10-15-5-4-12(11)13/h1-5,10,14H,6-9H2",UPTYCYWTFGTCCG-UHFFFAOYSA-N,C13H15N3O2S,277.34,277.0884979,0.6,70.7,401,0,1,5,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
NEOPENTYL GLYCOL DIGLYCIDYL ETHER,017557-23-2,28594,"2-[[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane",CC(C)(COCC1CO1)COCC2CO2,"InChI=1S/C11H20O4/c1-11(2,7-12-3-9-5-14-9)8-13-4-10-6-15-10/h9-10H,3-8H2,1-2H3",KUAUJXBLDYVELT-UHFFFAOYSA-N,C11H20O4,216.27,216.1361591,0.5,43.5,185,0,0,4,8,15,"greater than 200 °F (NTP, 1992)",,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
12-WOLFRAMOSILICIC ACID,011130-20-4,25113560,"silicic acid;tetrakis(1,3,5-trioxa-2lambda6,4lambda6,6lambda6-tritungstacyclohexane 2,2,4,4,6,6-hexaoxide)",O[Si](O)(O)O.O=[W]1(=O)O[W](=O)(=O)O[W](=O)(=O)O1.O=[W]1(=O)O[W](=O)(=O)O[W](=O)(=O)O1.O=[W]1(=O)O[W](=O)(=O)O[W](=O)(=O)O1.O=[W]1(=O)O[W](=O)(=O)O[W](=O)(=O)O1,"InChI=1S/H4O4Si.36O.12W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-4H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;",CGFYHILWFSGVJS-UHFFFAOYSA-N,H4O40SiW12,2878.2,2877.21671,,601,364,0,4,40,0,53,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
AMBERLITE RA-400 (OH) ION EXCHANGE RESIN,009002-24-8,168009973,"2-[6-[2-(5,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethenyl]-3-pyridinyl]benzonitrile;2-[6-[2-(5,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-7-yl)ethenyl]-3-pyridinyl]benzonitrile;2-[6-[2-(5,6-dimethyl-4,5,6,7-tetrahydro-2-benzothiophen-4-yl)ethenyl]-3-pyridinyl]benzonitrile;2-[6-[2-(5,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-7-yl)ethenyl]-3-pyridinyl]benzonitrile;2-[6-[2-(5,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-7-yl)ethenyl]-3-pyridinyl]benzonitrile;2-[6-[2-(5,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-7-yl)ethenyl]-3-pyridinyl]benzonitrile;2-[6-[2-(5,6-dimethyl-4,5,6,7-tetrahydro-3H-indol-7-yl)ethenyl]-3-pyridinyl]benzonitrile;2-[6-[2-(5,6-dimethyl-4,5,6,7-tetrahydro-1H-isoindol-4-yl)ethenyl]-3-pyridinyl]benzonitrile",CC1CC2=C(C(C1C)C=CC3=NC=C(C=C3)C4=CC=CC=C4C#N)N=CC2.CC1CC2=C(C=NC2)C(C1C)C=CC3=NC=C(C=C3)C4=CC=CC=C4C#N.CC1CC2=C(C(C1C)C=CC3=NC=C(C=C3)C4=CC=CC=C4C#N)NC=C2.CC1CC2=C(C(C1C)C=CC3=NC=C(C=C3)C4=CC=CC=C4C#N)SC=C2.CC1CC2=CSC=C2C(C1C)C=CC3=NC=C(C=C3)C4=CC=CC=C4C#N.CC1CC2=C(C(C1C)C=CC3=NC=C(C=C3)C4=CC=CC=C4C#N)NN=C2.CC1CC2=C(C(C1C)C=CC3=NC=C(C=C3)C4=CC=CC=C4C#N)OC=N2.CC1CC2=C(C=CS2)C(C1C)C=CC3=NC=C(C=C3)C4=CC=CC=C4C#N,"InChI=1S/3C24H23N3.3C24H22N2S.C23H22N4.C23H21N3O/c1-16-11-20-13-26-15-24(20)22(17(16)2)10-9-21-8-7-19(14-27-21)23-6-4-3-5-18(23)12-25;2*1-16-13-18-11-12-26-24(18)22(17(16)2)10-9-21-8-7-20(15-27-21)23-6-4-3-5-19(23)14-25;1-16-11-20-14-27-15-24(20)22(17(16)2)10-9-21-8-7-19(13-26-21)23-6-4-3-5-18(23)12-25;1-16-13-18-11-12-27-24(18)22(17(16)2)10-9-21-8-7-20(15-26-21)23-6-4-3-5-19(23)14-25;1-16-13-24-23(11-12-27-24)21(17(16)2)10-9-20-8-7-19(15-26-20)22-6-4-3-5-18(22)14-25;1-15-11-19-14-26-27-23(19)21(16(15)2)10-9-20-8-7-18(13-25-20)22-6-4-3-5-17(22)12-24;1-15-11-22-23(27-14-26-22)20(16(15)2)10-9-19-8-7-18(13-25-19)21-6-4-3-5-17(21)12-24/h3-10,14-17,22H,11,13H2,1-2H3;3-10,12,15-17,22H,11,13H2,1-2H3;3-12,15-17,22,26H,13H2,1-2H3;3-10,13-17,22H,11H2,1-2H3;3-12,15-17,22H,13H2,1-2H3;3-12,15-17,21H,13H2,1-2H3;3-10,13-16,21H,11H2,1-2H3,(H,26,27);3-10,13-16,20H,11H2,1-2H3",YGTKMKGKIJGRDB-UHFFFAOYSA-N,C190H178N22OS3,2882,2881.378322,,473,4830,0,2,24,24,216,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
SUBTILISIN,009014-01-1,3086051,"3-[(3R,6R,9S,16S,19R,22S,25S)-3,9-bis(2-amino-2-oxoethyl)-16-[(1R)-1-hydroxyethyl]-19-(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]-13-octyl-2,5,8,11,15,18,21,24-octaoxo-1,4,7,10,14,17,20,23-octazabicyclo[23.3.0]octacosan-22-yl]propanoic acid",CCCCCCCCC1CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)[C@@H](C)O)CO)CCC(=O)O)CC(=O)N)CC3=CC=C(C=C3)O)CC(=O)N,"InChI=1S/C45H68N10O15/c1-3-4-5-6-7-8-10-26-20-36(61)49-30(21-34(46)59)41(66)51-29(19-25-12-14-27(58)15-13-25)40(65)52-31(22-35(47)60)45(70)55-18-9-11-33(55)43(68)50-28(16-17-37(62)63)39(64)53-32(23-56)42(67)54-38(24(2)57)44(69)48-26/h12-15,24,26,28-33,38,56-58H,3-11,16-23H2,1-2H3,(H2,46,59)(H2,47,60)(H,48,69)(H,49,61)(H,50,68)(H,51,66)(H,52,65)(H,53,64)(H,54,67)(H,62,63)/t24-,26?,28+,29-,30+,31-,32-,33+,38+/m1/s1",VLKSXJAPRDAENT-OWGHDAAGSA-N,C45H68N10O15,989.1,988.4865615,-1.1,408,1860,0,13,15,18,70,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
2-(MORPHOLINOTHIO)BENZOTHIAZOLE,000102-77-2,7619,"4-(1,3-benzothiazol-2-ylsulfanyl)morpholine",C1COCCN1SC2=NC3=CC=CC=C3S2,"InChI=1S/C11H12N2OS2/c1-2-4-10-9(3-1)12-11(15-10)16-13-5-7-14-8-6-13/h1-4H,5-8H2",MHKLKWCYGIBEQF-UHFFFAOYSA-N,C11H12N2OS2,252.4,252.0391054,2.7,78.9,236,0,0,5,2,16,188 °C,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
METHYLENEBIS(2-GLYCIDYLOXYPHENYL),054208-63-8,62078,2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane,C1C(O1)COC2=CC=CC=C2CC3=CC=CC=C3OCC4CO4,"InChI=1S/C19H20O4/c1-3-7-18(22-12-16-10-20-16)14(5-1)9-15-6-2-4-8-19(15)23-13-17-11-21-17/h1-8,16-17H,9-13H2",FIJSKXFJFGTBRV-UHFFFAOYSA-N,C19H20O4,312.4,312.1361591,3.2,43.5,340,0,0,4,8,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
TRIMETHYLOLPROPANE TRIGLYCIDYL ETHER,003454-29-3,103015,"2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane",CCC(COCC1CO1)(COCC2CO2)COCC3CO3,"InChI=1S/C15H26O6/c1-2-15(9-16-3-12-6-19-12,10-17-4-13-7-20-13)11-18-5-14-8-21-14/h12-14H,2-11H2,1H3",QECCQGLIYMMHCR-UHFFFAOYSA-N,C15H26O6,302.36,302.1729385,-0.1,65.3,278,0,0,6,13,21,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,1,1,0,1
"3,N4-ETHENOCYTOSINE",055662-66-3,135476780,"6H-imidazo[1,2-c]pyrimidin-5-one",C1=CNC(=O)N2C1=NC=C2,"InChI=1S/C6H5N3O/c10-6-8-2-1-5-7-3-4-9(5)6/h1-4H,(H,8,10)",GICKXGZWALFYHZ-UHFFFAOYSA-N,C6H5N3O,135.12,135.0432618,-0.1,46.9,189,0,1,2,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3:4,5-BIS-O-(1-METHYLETHYLIDENE)BETA-D-FRUCTOPYRANOSE SULFAMATE",097240-79-4,5284627,"[(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate",CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C,"InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1",KJADKKWYZYXHBB-XBWDGYHZSA-N,C12H21NO8S,339.36,339.0987878,-0.8,124,556,0,1,9,3,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
FUROSEMIDE,000054-31-9,3440,4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid,C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl,"InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)",ZZUFCTLCJUWOSV-UHFFFAOYSA-N,C12H11ClN2O5S,330.74,330.0077203,2,131,481,0,3,7,5,21,,,0,0,0,0,0,1,0,1,0,0,0,0,0,1,0,0,1,0,0,1
BNPS-SKATOLE,027933-36-4,94388,3-bromo-3-methyl-2-(2-nitrophenyl)sulfanylindole,CC1(C2=CC=CC=C2N=C1SC3=CC=CC=C3[N+](=O)[O-])Br,"InChI=1S/C15H11BrN2O2S/c1-15(16)10-6-2-3-7-11(10)17-14(15)21-13-9-5-4-8-12(13)18(19)20/h2-9H,1H3",BXTVQNYQYUTQAZ-UHFFFAOYSA-N,C15H11BrN2O2S,363.2,361.97246,4.4,83.5,453,0,0,4,2,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
BIS(TRIPHENYLPHOSPHINE)NICKELDICARBONYL,013007-90-4,16211556,carbon monoxide;nickel;bis(triphenylphosphanium),[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Ni],InChI=1S/2C18H15P.2CO.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2;/h2*1-15H;;;/p+2,SLFKPACCQUVAPG-UHFFFAOYSA-P,C38H32NiO2P2+2,641.3,640.123096,,2,569,2,0,2,6,43,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"3,4,5,6-TETRAHYDROPHTHALIC ANHYDRIDE",002426-02-0,12475,"4,5,6,7-tetrahydro-2-benzofuran-1,3-dione",C1CCC2=C(C1)C(=O)OC2=O,InChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H2,HMMBJOWWRLZEMI-UHFFFAOYSA-N,C8H8O3,152.15,152.0473441,1.3,43.4,237,0,0,3,0,11,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,1,0,0
PEROXIDASE,009003-99-0,9865515,N-(2-aminophenyl)-4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide,C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC3=NC=CC(=N3)C4=CN=CC=C4,"InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)",HRNLUBSXIHFDHP-UHFFFAOYSA-N,C23H20N6O,396.4,396.1698593,2.8,106,538,0,3,6,6,30,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
BIS(4-DIMETHYLAMINODITHIOBENZIL) NICKEL,038465-55-3,5489135,"bis((Z)-1-[4-(dimethylamino)phenyl]-2-phenylethene-1,2-dithiolate);nickel",CN(C1=CC=C(C=C1)/C(=C(/[S-])\C2=CC=CC=C2)/[S-])C.CN(C1=CC=C(C=C1)/C(=C(/[S-])\C2=CC=CC=C2)/[S-])C.[Ni],"InChI=1S/2C16H17NS2.Ni/c2*1-17(2)14-10-8-13(9-11-14)16(19)15(18)12-6-4-3-5-7-12;/h2*3-11,18-19H,1-2H3;/p-4/b2*16-15-;",LDYCDKFAGIOUDE-JZONXAMZSA-J,C32H30N2NiS4-4,629.6,628.064525,,10.5,692,-4,0,6,6,39,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1,1,0
CONCANAVALIN A,011028-71-0,155486958,"1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;4-(dipropylsulfamoyl)benzoic acid",CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O.CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-],"InChI=1S/C13H19NO4S.C10H13N5O4/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16;1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h5-8H,3-4,9-10H2,1-2H3,(H,15,16);3,6-8,16H,2,4H2,1H3,(H,12,17,18)",RVSZVJZFCQZYHQ-UHFFFAOYSA-N,C23H32N6O8S,552.6,552.2002332,,176,858,0,3,11,10,38,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0
GENTAMYCIN SULFATE,001405-41-0,9855350,"(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid",CC([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)N.CC([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)NC.C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N)N)O.OS(=O)(=O)O,"InChI=1S/C21H43N5O7.C20H41N5O7.C19H39N5O7.H2O4S/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20;1-8(21)12-5-4-9(22)18(30-12)31-15-10(23)6-11(24)16(13(15)26)32-19-14(27)17(25-3)20(2,28)7-29-19;1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17;1-5(2,3)4/h9-20,25-29H,5-8,22-24H2,1-4H3;8-19,25-28H,4-7,21-24H2,1-3H3;8-18,24-27H,3-7,20-23H2,1-2H3;(H2,1,2,3,4)/t9?,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+;8?,9-,10+,11-,12+,13+,14-,15-,16+,17-,18-,19-,20+;8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-;/m110./s1",RDEIXVOBVLKYNT-VQBXQJRRSA-N,C60H125N15O25S,1488.8,1487.869176,,710,1930,0,26,40,19,101,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,1,0,1
CHONDROITIN SULFATE A SODIUM,039455-18-0,24766,"(2S,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid",CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)OS(=O)(=O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,"InChI=1S/C13H21NO15S/c1-2(15)14-3-8(7(19)13(28-11(3)22)29-30(23,24)25)26-12-6(18)4(16)5(17)9(27-12)10(20)21/h3-9,11-13,16-19,22H,1H3,(H,14,15)(H,20,21)(H,23,24,25)/t3-,4+,5+,6-,7-,8-,9+,11-,12-,13-/m1/s1",KXKPYJOVDUMHGS-OSRGNVMNSA-N,C13H21NO15S,463.37,463.0631901,-4.8,267,739,0,8,15,6,30,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
REACTIVE RED 120,061951-82-4,73264,"5-[[4-chloro-6-[4-[[4-chloro-6-[[8-hydroxy-3,6-disulfo-7-[(2-sulfophenyl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid",C1=CC=C(C(=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)NC6=NC(=NC(=N6)Cl)NC7=C8C(=CC(=C7)S(=O)(=O)O)C=C(C(=C8O)N=NC9=CC=CC=C9S(=O)(=O)O)S(=O)(=O)O)Cl)O)S(=O)(=O)O,"InChI=1S/C44H30Cl2N14O20S6/c45-39-51-41(55-43(53-39)49-27-17-23(81(63,64)65)13-19-15-31(85(75,76)77)35(37(61)33(19)27)59-57-25-5-1-3-7-29(25)83(69,70)71)47-21-9-11-22(12-10-21)48-42-52-40(46)54-44(56-42)50-28-18-24(82(66,67)68)14-20-16-32(86(78,79)80)36(38(62)34(20)28)60-58-26-6-2-4-8-30(26)84(72,73)74/h1-18,61-62H,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H2,47,49,51,53,55)(H2,48,50,52,54,56)",OVSNDJXCFPSPDZ-UHFFFAOYSA-N,C44H30Cl2N14O20S6,1338.1,1335.946212,6.4,592,2910,0,12,34,18,86,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
IR-676 IODIDE,056289-64-6,13394872,"(2Z)-1,1,3-trimethyl-2-[(2E,4E)-5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indole iodide",CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)/C=C/C=C/C=C\4/C(C5=C(N4C)C=CC6=CC=CC=C65)(C)C)C.[I-],"InChI=1S/C35H35N2.HI/c1-34(2)30(36(5)28-22-20-24-14-10-12-16-26(24)32(28)34)18-8-7-9-19-31-35(3,4)33-27-17-13-11-15-25(27)21-23-29(33)37(31)6;/h7-23H,1-6H3;1H/q+1;/p-1",PXXBSYXTQAWFHV-UHFFFAOYSA-M,C35H35IN2,610.6,610.1845,,6.3,917,0,0,2,3,38,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0
NITRILASE,009024-90-2,168010003,"dibenzyl [4-[3-[2-methoxy-5-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]anilino]-2-methyl-3-oxopropyl]phenyl] phosphate;N-[2-methoxy-5-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]phenyl]-2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide",CC(CC1=CC=C(C=C1)OC(C)(C)C)C(=O)NC2=C(C=CC(=C2)C=CC3=CC4=C(C(=C3)OC)OCO4)OC.CC(CC1=CC=C(C=C1)OP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)C=CC5=CC6=C(C(=C5)OC)OCO6)OC,"InChI=1S/C41H40NO9P.C31H35NO6/c1-29(41(43)42-36-23-31(18-21-37(36)45-2)14-15-34-24-38(46-3)40-39(25-34)47-28-48-40)22-30-16-19-35(20-17-30)51-52(44,49-26-32-10-6-4-7-11-32)50-27-33-12-8-5-9-13-33;1-20(15-21-9-12-24(13-10-21)38-31(2,3)4)30(33)32-25-16-22(11-14-26(25)34-5)7-8-23-17-27(35-6)29-28(18-23)36-19-37-29/h4-21,23-25,29H,22,26-28H2,1-3H3,(H,42,43);7-14,16-18,20H,15,19H2,1-6H3,(H,32,33)",SSEVSZZAMDDDFK-UHFFFAOYSA-N,C72H75N2O15P,1239.3,1238.490507,,186,1900,0,2,15,26,90,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
SAXAGLIPTIN,361442-04-8,11243969,"(1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile",C1[C@@H]2C[C@@H]2N([C@@H]1C#N)C(=O)[C@H](C34CC5CC(C3)CC(C5)(C4)O)N,"InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1",QGJUIPDUBHWZPV-SGTAVMJGSA-N,C18H25N3O2,315.4,315.1946771,0.7,90.4,609,0,2,4,2,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,1,1,0
DIHYDRO-5-METHYLENEFURAN-2(3H)-ONE,010008-73-8,66201,5-methylideneoxolan-2-one,C=C1CCC(=O)O1,InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h1-3H2,SIFBVNDLLGPEKT-UHFFFAOYSA-N,C5H6O2,98.1,98.03677943,0.6,26.3,115,0,0,2,0,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"BENZENEMETHANOL, 4-NITRO-, 4-METHYLBENZENESULFONATE (ESTER)",004450-68-4,20519,(4-nitrophenyl)methyl 4-methylbenzenesulfonate,CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C14H13NO5S/c1-11-2-8-14(9-3-11)21(18,19)20-10-12-4-6-13(7-5-12)15(16)17/h2-9H,10H2,1H3",QXTKWWMLNUQOLB-UHFFFAOYSA-N,C14H13NO5S,307.32,307.0514437,2.9,97.6,437,0,0,5,4,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"1-NAPHTHALENESULFONIC ACID, 2-[[1-(2,5-DICHLORO-4-SULFOPHENYL)-4,5-DIHYDRO-3-M",012220-64-3,11970362,"disodium;2-[[1-(2,5-dichloro-4-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonate",CC1=NN(C(=O)C1N=NC2=C(C3=CC=CC=C3C=C2)S(=O)(=O)[O-])C4=CC(=C(C=C4Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+],"InChI=1S/C20H14Cl2N4O7S2.2Na/c1-10-18(20(27)26(25-10)16-8-14(22)17(9-13(16)21)34(28,29)30)24-23-15-7-6-11-4-2-3-5-12(11)19(15)35(31,32)33;;/h2-9,18H,1H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2",KRVDIUOUSKADMQ-UHFFFAOYSA-L,C20H12Cl2N4Na2O7S2,601.3,599.931985,,189,1080,0,0,10,3,37,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"CHOLESTA-4,6-DIEN-3-OL, (3.BETA.)-",014214-69-8,14795191,"(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol",C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=C[C@H](CC[C@]34C)O)C,"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,21-25,28H,6-8,11-16H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",KIULDMFHZZHYKZ-DPAQBDIFSA-N,C27H44O,384.6,384.339216,8.4,20.2,630,0,1,1,5,28,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,0,1,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 5-[(4,6-DICHLORO-1,3,5-TRIAZIN-2-YL)AMINO]-4-H",017804-49-8,28781,"disodium;5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-phenyldiazenylnaphthalene-2,7-disulfonate",C1=CC=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=NC(=NC(=N4)Cl)Cl)O.[Na+].[Na+],"InChI=1S/C19H12Cl2N6O7S2.2Na/c20-17-23-18(21)25-19(24-17)22-12-8-11(35(29,30)31)6-9-7-13(36(32,33)34)15(16(28)14(9)12)27-26-10-4-2-1-3-5-10;;/h1-8,28H,(H,29,30,31)(H,32,33,34)(H,22,23,24,25);;/q;2*+1/p-2",XWZDJOJCYUSIEY-UHFFFAOYSA-L,C19H10Cl2N6Na2O7S2,615.3,613.922483,,227,968,0,2,13,4,38,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,1,0,0
"BENZENEMETHANAMINIUM, N-[3-[[9,10-DIHYDRO-4-[(1-METHYLETHYL)AMINO]-9,10-DIOXO-",035402-38-1,118814,"benzyl-[3-[[9,10-dioxo-4-(propan-2-ylamino)anthracen-1-yl]amino]propyl]-dimethylazanium chloride",CC(C)NC1=C2C(=C(C=C1)NCCC[N+](C)(C)CC3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O.[Cl-],"InChI=1S/C29H33N3O2.ClH/c1-20(2)31-25-16-15-24(26-27(25)29(34)23-14-9-8-13-22(23)28(26)33)30-17-10-18-32(3,4)19-21-11-6-5-7-12-21;/h5-9,11-16,20H,10,17-19H2,1-4H3,(H-,30,31,33,34);1H",BIZUKZMQPYVJJF-UHFFFAOYSA-N,C29H34ClN3O2,492,491.233955,,58.2,699,0,2,5,9,35,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"1,2,4-Triazole-3-carboxamide, 1-beta-D-ribofuranosyl-",036791-04-5,37542,"1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide",C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N,"InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1",IWUCXVSUMQZMFG-AFCXAGJDSA-N,C8H12N4O5,244.2,244.0807695,-1.8,144,304,0,4,7,3,17,,,0,0,0,0,0,0,1,1,0,0,1,0,0,1,0,0,0,1,1,1
"2H-1,3,5-OXADIAZINE-2,4,6(3H,5H)-TRIONE, 3,5-BIS(6-ISOCYANATOHEXYL)-",050639-37-7,170876,"3,5-bis(6-isocyanatohexyl)-1,3,5-oxadiazinane-2,4,6-trione",C(CCCN1C(=O)N(C(=O)OC1=O)CCCCCCN=C=O)CCN=C=O,InChI=1S/C17H24N4O6/c22-13-18-9-5-1-3-7-11-20-15(24)21(17(26)27-16(20)25)12-8-4-2-6-10-19-14-23/h1-12H2,CWYAQUMZIHGIEF-UHFFFAOYSA-N,C17H24N4O6,380.4,380.1695845,4.2,126,561,0,0,8,14,27,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1
"BENZENECARBOTHIOIC ACID, S-(4,5-DIHYDRO-5-THIOXO-1,3,4-THIADIAZOL-2-YL) ESTER",051988-14-8,3034723,"S-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl) benzenecarbothioate",C1=CC=C(C=C1)C(=O)SC2=NNC(=S)S2,"InChI=1S/C9H6N2OS3/c12-7(6-4-2-1-3-5-6)14-9-11-10-8(13)15-9/h1-5H,(H,10,13)",KIFSWJVHFMQPOS-UHFFFAOYSA-N,C9H6N2OS3,254.4,253.9642263,3.3,124,310,0,1,5,3,15,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 4-AMINO-3,6-BIS[[5-[[4-CHLORO-6-[(3-SULFOPHENY",068133-24-4,135853555,"hexasodium;4-amino-3,6-bis[[5-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonate",C1=CC(=CC(=C1)S(=O)(=O)[O-])NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)S(=O)(=O)[O-])N=NC4=C(C5=C(C(=C(C=C5C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC6=C(C=CC(=C6)NC7=NC(=NC(=N7)NC8=CC(=CC=C8)S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])N)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C40H29Cl2N15O19S6.6Na/c41-35-48-37(44-18-3-1-5-22(13-18)77(59,60)61)52-39(50-35)46-20-7-9-26(79(65,66)67)24(15-20)54-56-32-28(81(71,72)73)11-17-12-29(82(74,75)76)33(34(58)30(17)31(32)43)57-55-25-16-21(8-10-27(25)80(68,69)70)47-40-51-36(42)49-38(53-40)45-19-4-2-6-23(14-19)78(62,63)64;;;;;;/h1-16,58H,43H2,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H2,44,46,48,50,52)(H2,45,47,49,51,53);;;;;;/q;6*+1/p-6",YRPZCUJHDXAQRR-UHFFFAOYSA-H,C40H23Cl2N15Na6O19S6,1418.9,1416.838212,,615,2900,0,6,34,12,88,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,1
"SODIUM (2S-CIS)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLATE 4,4-DIOXIDE",069388-84-7,23663973,"sodium (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CC1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)[O-])C.[Na+],"InChI=1S/C8H11NO5S.Na/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14;/h5-6H,3H2,1-2H3,(H,11,12);/q;+1/p-1/t5-,6+;/m1./s1",NKZMPZCWBSWAOX-IBTYICNHSA-M,C8H10NNaO5S,255.23,255.0177379,,103,452,0,0,5,1,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,1,0
"2-ANTHRACENESULFONIC ACID, 1-AMINO-4-[[3-[(5-CHLORO-2,6-DIFLUORO-4-PYRIMIDINYL",072139-17-4,166224,"disodium;1-amino-4-[3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-methyl-5-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate",CC1=C(C=C(C=C1NC2=C(C(=NC(=N2)F)F)Cl)S(=O)(=O)[O-])NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C25H16ClF2N5O8S2.2Na/c1-9-13(6-10(42(36,37)38)7-14(9)31-24-19(26)23(27)32-25(28)33-24)30-15-8-16(43(39,40)41)20(29)18-17(15)21(34)11-4-2-3-5-12(11)22(18)35;;/h2-8,30H,29H2,1H3,(H,31,32,33)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2",ZNJIJUTZYLARBY-UHFFFAOYSA-L,C25H14ClF2N5Na2O8S2,696,694.9735774,,241,1280,0,3,15,4,45,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1,0,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazoly",095789-30-3,175647,"1-cyclohexyloxycarbonyloxyethyl (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;dihydrochloride",CC(OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)CC3=CSC(=N3)N)CSC4=NN=NN4CCN(C)C)OC(=O)OC5CCCCC5.Cl.Cl,"InChI=1S/C27H37N9O7S3.2ClH/c1-15(42-27(40)43-18-7-5-4-6-8-18)41-24(39)21-16(13-46-26-31-32-33-35(26)10-9-34(2)3)12-44-23-20(22(38)36(21)23)30-19(37)11-17-14-45-25(28)29-17;;/h14-15,18,20,23H,4-13H2,1-3H3,(H2,28,29)(H,30,37);2*1H/t15?,20-,23-;;/m1../s1",FFSANQNELHESQJ-LWBICVDYSA-N,C27H39Cl2N9O7S3,768.8,767.1511635,,276,1160,0,4,16,16,48,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"5H-1-Pyrindinium, 1-((7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-2-c",098753-19-6,11954008,"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;sulfuric acid",CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4CCC5)C(=O)[O-].OS(=O)(=O)O,"InChI=1S/C22H22N6O5S2.H2O4S/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27;1-5(2,3)4/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32);(H2,1,2,3,4)/b26-15-;/t16-,20-;/m1./s1",RKTNPKZEPLCLSF-QHBKFCFHSA-N,C22H24N6O9S3,612.7,612.0766899,,290,1040,0,4,14,6,40,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazoly",117467-28-4,6437877,"2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",CC1=C(SC=N1)/C=C\C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)OCOC(=O)C(C)(C)C,"InChI=1S/C25H28N6O7S3/c1-12-15(41-10-27-12)7-6-13-8-39-21-17(29-19(32)16(30-36-5)14-9-40-24(26)28-14)20(33)31(21)18(13)22(34)37-11-38-23(35)25(2,3)4/h6-7,9-10,17,21H,8,11H2,1-5H3,(H2,26,28)(H,29,32)/b7-6-,30-16-/t17-,21-/m1/s1",AFZFFLVORLEPPO-UVYJNCLZSA-N,C25H28N6O7S3,620.7,620.1181608,4.7,257,1160,0,2,14,12,41,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"3-OXAZOLIDINEETHANOL, 2-(1-METHYLETHYL)-, CARBONATE (2:1) (ESTER)",145899-78-1,44150162,"bis[2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl] carbonate",CC(C)C1N(CCO1)CCOC(=O)OCCN2CCOC2C(C)C,"InChI=1S/C17H32N2O5/c1-13(2)15-18(5-9-21-15)7-11-23-17(20)24-12-8-19-6-10-22-16(19)14(3)4/h13-16H,5-12H2,1-4H3",MJLCPNGJAGPYLB-UHFFFAOYSA-N,C17H32N2O5,344.4,344.2311221,2.8,60.5,357,0,0,7,10,24,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"3-PYRIDINEMETHANESULFONIC ACID, 5-[[5-[[4-[(5-CHLORO-2,6-DIFLUORO-4-PYRIMIDINY",157627-98-0,136170954,"sodium 4-[[4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]benzoyl]amino]-2-[[1-ethyl-6-hydroxy-4-methyl-2-oxo-5-(sulfonatomethyl)-3-pyridinyl]diazenyl]benzenesulfonate",CCN1C(=C(C(=C(C1=O)N=NC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)NC4=C(C(=NC(=N4)F)F)Cl)S(=O)(=O)[O-])C)CS(=O)(=O)[O-])O.[Na+],"InChI=1S/C26H22ClF2N7O9S2.Na/c1-3-36-24(38)16(11-46(40,41)42)12(2)20(25(36)39)35-34-17-10-15(8-9-18(17)47(43,44)45)31-23(37)13-4-6-14(7-5-13)30-22-19(27)21(28)32-26(29)33-22;/h4-10,38H,3,11H2,1-2H3,(H,31,37)(H,30,32,33)(H,40,41,42)(H,43,44,45);/q;+1/p-2",FMMAQBQRBBRLGG-UHFFFAOYSA-L,C26H20ClF2N7NaO9S2-,735.1,734.0318209,,263,1490,-1,3,16,8,48,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
CEFTRIAXONE SODIUM,074578-69-1,23715082,"disodium;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-2,4-diaza-1-azanidacyclohex-3-en-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",CN1C(=NC(=O)C(=O)[N-]1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-].[Na+].[Na+],"InChI=1S/C18H18N8O7S3.2Na/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7;;/h5,9,15H,3-4H2,1-2H3,(H5,19,20,21,23,27,29,31,32);;/q;2*+1/p-2/b24-8-;;/t9-,15-;;/m1../s1",LTFQVRWXHBGEMZ-BBJOQENWSA-L,C18H16N8Na2O7S3,598.6,598.009947,,280,1120,0,2,14,8,38,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
BENZYL DISULFIDE,000150-60-7,9012,(benzyldisulfanyl)methylbenzene,C1=CC=C(C=C1)CSSCC2=CC=CC=C2,"InChI=1S/C14H14S2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2",GVPWHKZIJBODOX-UHFFFAOYSA-N,C14H14S2,246.4,246.0536928,3.9,50.6,150,0,0,2,5,16,,270.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
DISTAMYCIN A HYDROCHLORIDE,006576-51-8,6602691,N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide;hydrochloride,CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C)NC=O.Cl,"InChI=1S/C22H27N9O4.ClH/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24;/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34);1H",SFYSJFJQEGCACQ-UHFFFAOYSA-N,C22H28ClN9O4,518,517.1952781,,181,825,0,7,5,9,36,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
DI-P-XYLYLENE,001633-22-3,74210,"tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene",C1CC2=CC=C(CCC3=CC=C1C=C3)C=C2,"InChI=1S/C16H16/c1-2-14-4-3-13(1)9-10-15-5-7-16(8-6-15)12-11-14/h1-8H,9-12H2",OOLUVSIJOMLOCB-UHFFFAOYSA-N,C16H16,208.3,208.1252005,3.7,0,156,0,0,0,0,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0
DI-O-BENZAMIDODIPHENYLDISULFIDE,000135-57-9,67271,N-[2-[(2-benzamidophenyl)disulfanyl]phenyl]benzamide,C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SSC3=CC=CC=C3NC(=O)C4=CC=CC=C4,"InChI=1S/C26H20N2O2S2/c29-25(19-11-3-1-4-12-19)27-21-15-7-9-17-23(21)31-32-24-18-10-8-16-22(24)28-26(30)20-13-5-2-6-14-20/h1-18H,(H,27,29)(H,28,30)",ZHMIOPLMFZVSHY-UHFFFAOYSA-N,C26H20N2O2S2,456.6,456.0966202,5.7,109,553,0,2,4,7,32,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"3,3'-DIMETHYL-1,1'-DIPHENYL4,4'-BI-2-PYRAZOLINE-5,5'-DIONE",007477-67-0,95807,5-methyl-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-phenyl-4H-pyrazol-3-one,CC1=NN(C(=O)C1C2C(=NN(C2=O)C3=CC=CC=C3)C)C4=CC=CC=C4,"InChI=1S/C20H18N4O2/c1-13-17(19(25)23(21-13)15-9-5-3-6-10-15)18-14(2)22-24(20(18)26)16-11-7-4-8-12-16/h3-12,17-18H,1-2H3",FORCWSNQDMPPOC-UHFFFAOYSA-N,C20H18N4O2,346.4,346.1429758,2.4,65.3,588,0,0,4,3,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
N-ALPHA-FMOC-N-IN-T.-BOC-L-TRYPTOPHAN,143824-78-6,9849766,(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid,CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35,"InChI=1S/C31H30N2O6/c1-31(2,3)39-30(37)33-17-19(20-10-8-9-15-27(20)33)16-26(28(34)35)32-29(36)38-18-25-23-13-6-4-11-21(23)22-12-5-7-14-24(22)25/h4-15,17,25-26H,16,18H2,1-3H3,(H,32,36)(H,34,35)/t26-/m0/s1",ADOHASQZJSJZBT-SANMLTNESA-N,C31H30N2O6,526.6,526.2103867,6,107,880,0,2,6,9,39,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
N-ALPHA-FMOC-N-GAMMA-TRITYL-L-GLUTAMINE,132327-80-1,10919157,(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-(tritylamino)pentanoic acid,C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)CC[C@@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46,"InChI=1S/C39H34N2O5/c42-36(41-39(27-14-4-1-5-15-27,28-16-6-2-7-17-28)29-18-8-3-9-19-29)25-24-35(37(43)44)40-38(45)46-26-34-32-22-12-10-20-30(32)31-21-11-13-23-33(31)34/h1-23,34-35H,24-26H2,(H,40,45)(H,41,42)(H,43,44)/t35-/m0/s1",WDGICUODAOGOMO-DHUJRADRSA-N,C39H34N2O5,610.7,610.2467722,7,105,946,0,3,5,12,46,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
N-CYCLOHEXYL-2-BENZOTHIAZOLESULFENAMIDE,000095-33-0,7232,"N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine",C1CCC(CC1)NSC2=NC3=CC=CC=C3S2,"InChI=1S/C13H16N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h4-5,8-10,15H,1-3,6-7H2",DEQZTKGFXNUBJL-UHFFFAOYSA-N,C13H16N2S2,264.4,264.0754909,4.4,78.5,244,0,1,4,3,17,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZOIC ACID, 2-[[2-METHYL-3-[4-(1-METHYLETHYL)PHENYL]PROPYLIDENE]AMINO]-, MET",000091-50-9,101555,methyl 2-[[2-methyl-3-(4-propan-2-ylphenyl)propylidene]amino]benzoate,CC(C)C1=CC=C(C=C1)CC(C)C=NC2=CC=CC=C2C(=O)OC,"InChI=1S/C21H25NO2/c1-15(2)18-11-9-17(10-12-18)13-16(3)14-22-20-8-6-5-7-19(20)21(23)24-4/h5-12,14-16H,13H2,1-4H3",GPMKWOCILXNQON-UHFFFAOYSA-N,C21H25NO2,323.4,323.188529,5,38.7,410,0,0,3,7,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZOIC ACID, 2-[[3-[4-(1,1-DIMETHYLETHYL)PHENYL]-2-METHYLPROPYLIDENE]AMINO]-,",000091-51-0,121232773,methyl 2-[1-(4-tert-butylphenyl)propan-2-yldiazenyl]benzoate,CC(CC1=CC=C(C=C1)C(C)(C)C)N=NC2=CC=CC=C2C(=O)OC,"InChI=1S/C21H26N2O2/c1-15(14-16-10-12-17(13-11-16)21(2,3)4)22-23-19-9-7-6-8-18(19)20(24)25-5/h6-13,15H,14H2,1-5H3",HCYRUADDKFDUII-UHFFFAOYSA-N,C21H26N2O2,338.4,338.1994281,5.9,51,447,0,0,4,7,25,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,1,0,0
2-(4-MORPHOLINYLDITHIO)-BENZOTHIAZOLE,000095-32-9,7231,"4-(1,3-benzothiazol-2-yldisulfanyl)morpholine",C1COCCN1SSC2=NC3=CC=CC=C3S2,"InChI=1S/C11H12N2OS3/c1-2-4-10-9(3-1)12-11(15-10)16-17-13-5-7-14-8-6-13/h1-4H,5-8H2",QRYFCNPYGUORTK-UHFFFAOYSA-N,C11H12N2OS3,284.4,284.0111765,3.1,104,251,0,0,6,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"CARBAMIC ACID, (METHYLENEDI-4,1-PHENYLENE)BIS-, DIPHENYL ESTER",000101-65-5,66870,phenyl N-[4-[[4-(phenoxycarbonylamino)phenyl]methyl]phenyl]carbamate,C1=CC=C(C=C1)OC(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)OC4=CC=CC=C4,"InChI=1S/C27H22N2O4/c30-26(32-24-7-3-1-4-8-24)28-22-15-11-20(12-16-22)19-21-13-17-23(18-14-21)29-27(31)33-25-9-5-2-6-10-25/h1-18H,19H2,(H,28,30)(H,29,31)",LKYATCXVAUHHMS-UHFFFAOYSA-N,C27H22N2O4,438.5,438.1579572,6.4,76.7,547,0,2,4,8,33,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-PROPENOIC ACID, 3-PHENYL-, PHENYLMETHYL ESTER",000103-41-3,5273469,benzyl (E)-3-phenylprop-2-enoate,C1=CC=C(C=C1)COC(=O)/C=C/C2=CC=CC=C2,"InChI=1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2/b12-11+",NGHOLYJTSCBCGC-VAWYXSNFSA-N,C16H14O2,238.28,238.0993797,3.8,26.3,271,0,0,2,5,18,GREATER THAN 100 °C,228-230 °C @ 22 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
BIS(PENTAMETHYLENE) THIURAMTETRASULFIDE,000120-54-7,61049,(piperidine-1-carbothioyltrisulfanyl) piperidine-1-carbodithioate,C1CCN(CC1)C(=S)SSSSC(=S)N2CCCCC2,InChI=1S/C12H20N2S6/c15-11(13-7-3-1-4-8-13)17-19-20-18-12(16)14-9-5-2-6-10-14/h1-10H2,VNDRMZTXEFFQDR-UHFFFAOYSA-N,C12H20N2S6,384.7,383.9950757,4.3,172,294,0,0,6,5,20,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2(3H)-BENZOTHIAZOLETHIONE, ZINC SALT",000155-04-4,9071,"zinc bis(1,3-benzothiazole-2-thiolate)",C1=CC=C2C(=C1)N=C(S2)[S-].C1=CC=C2C(=C1)N=C(S2)[S-].[Zn+2],"InChI=1S/2C7H5NS2.Zn/c2*9-7-8-5-3-1-2-4-6(5)10-7;/h2*1-4H,(H,8,9);/q;;+2/p-2",PGNWIWKMXVDXHP-UHFFFAOYSA-L,C14H8N2S4Zn,397.9,395.886175,,84.3,129,0,0,6,0,21,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,2,3-PROPANETRIOL, TRIBENZOATE",000614-33-5,61156,"2,3-dibenzoyloxypropyl benzoate",C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3,"InChI=1S/C24H20O6/c25-22(18-10-4-1-5-11-18)28-16-21(30-24(27)20-14-8-3-9-15-20)17-29-23(26)19-12-6-2-7-13-19/h1-15,21H,16-17H2",HIZCTWCPHWUPFU-UHFFFAOYSA-N,C24H20O6,404.4,404.1259884,4.9,78.9,522,0,0,6,11,30,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1-NAPHTHALENESULFONIC ACID, 8-(PHENYLAMINO)-5-[[4-[(5-SULFO-1-NAPHTHALENYL)AZO",003071-73-6,24186275,,C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=CC=C(C5=CC=CC=C54)N=NC6=CC=CC7=C6C=CC=C7S(=O)(=O)O)C=CC=C3S(=O)(=O)O.[Na],"InChI=1S/C36H25N5O6S2.Na/c42-48(43,44)34-17-7-13-26-27(34)14-6-16-29(26)38-39-30-19-20-31(25-12-5-4-11-24(25)30)40-41-32-21-22-33(37-23-9-2-1-3-10-23)36-28(32)15-8-18-35(36)49(45,46)47;/h1-22,37H,(H,42,43,44)(H,45,46,47);",QLSIPNJOWGWIBB-UHFFFAOYSA-N,C36H25N5NaO6S2,710.7,710.1143952,,187,1390,0,3,11,8,50,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENESULFONAMIDE, 3-NITRO-N-PHENYL-4-(PHENYLAMINO)-",005124-25-4,21201,4-anilino-3-nitro-N-phenylbenzenesulfonamide,C1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-],"InChI=1S/C18H15N3O4S/c22-21(23)18-13-16(26(24,25)20-15-9-5-2-6-10-15)11-12-17(18)19-14-7-3-1-4-8-14/h1-13,19-20H",BBFRYSKTTHYWQZ-UHFFFAOYSA-N,C18H15N3O4S,369.4,369.0783271,4.4,112,560,0,2,6,5,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
C.I. ACID BLACK 52,005610-64-0,76960928,trisodium;bis(chromium(3+));tris(7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate),C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C=CC(=CC4=C(C=C3[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C=CC(=CC4=C(C=C3[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C=CC(=CC4=C(C=C3[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-].[Na+].[Na+].[Na+].[Cr+3].[Cr+3],"InChI=1S/3C20H13N3O7S.2Cr.3Na/c3*24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;;;;;/h3*1-10,24-25H,(H,28,29,30);;;;;/q;;;2*+3;3*+1/p-9",OCDKNPOQLLEKKZ-UHFFFAOYSA-E,C60H30Cr2N9Na3O21S3,1482.1,1480.922155,,547,782,0,0,27,6,98,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"3H-1,2,4-TRIAZOLE-3-THIONE, 2,4-DIHYDRO-4-PHENYL-5-(PHENYLAMINO)-",014132-84-4,667525,"3-anilino-4-phenyl-1H-1,2,4-triazole-5-thione",C1=CC=C(C=C1)NC2=NNC(=S)N2C3=CC=CC=C3,"InChI=1S/C14H12N4S/c19-14-17-16-13(15-11-7-3-1-4-8-11)18(14)12-9-5-2-6-10-12/h1-10H,(H,15,16)(H,17,19)",ADVANMXLTWBUFC-UHFFFAOYSA-N,C14H12N4S,268.34,268.0782676,2.9,71.8,356,0,2,2,3,19,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"NICKEL(2+), HEXAKIS(1H-IMIDAZOLE-N3)-, DICHLORIDE, (OC-6-11)-",015751-00-5,85080,hexakis(1H-imidazole);nickel(2+);dichloride,C1=CN=CN1.C1=CN=CN1.C1=CN=CN1.C1=CN=CN1.C1=CN=CN1.C1=CN=CN1.[Cl-].[Cl-].[Ni+2],"InChI=1S/6C3H4N2.2ClH.Ni/c6*1-2-5-3-4-1;;;/h6*1-3H,(H,4,5);2*1H;/q;;;;;;;;+2/p-2",FZRKYHDDNITMPX-UHFFFAOYSA-L,C18H24Cl2N12Ni,538.1,536.097736,,172,28,0,6,8,0,33,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2(3H)-NAPHTHALENONE, 4,4A,5,6,7,8-HEXAHYDRO-4,4A-DIMETHYL-6-(1-METHYLETHYLIDEN",015764-04-2,442405,"(4R,4aS)-4,4a-dimethyl-6-propan-2-ylidene-4,5,7,8-tetrahydro-3H-naphthalen-2-one",C[C@@H]1CC(=O)C=C2[C@]1(CC(=C(C)C)CC2)C,"InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11H,5-7,9H2,1-4H3/t11-,15+/m1/s1",NIIPDXITZPFFTE-ABAIWWIYSA-N,C15H22O,218.33,218.1670653,3.1,17.1,382,0,0,1,0,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1H-ISOINDOLE-1,3(2H)-DIONE, 2-(CYCLOHEXYLTHIO)-",017796-82-6,28777,"2-cyclohexylsulfanylisoindole-1,3-dione",C1CCC(CC1)SN2C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C14H15NO2S/c16-13-11-8-4-5-9-12(11)14(17)15(13)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2",UEZWYKZHXASYJN-UHFFFAOYSA-N,C14H15NO2S,261.34,261.0823499,2.7,62.7,328,0,0,3,2,18,177 °C (Cleveland Open Cup),196 °C at 760 mm Hg (decomposes),1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"PROPANENITRILE, 3-[4-[(5-NITRO-2-THIAZOLYL)AZO](2-PHENYLETHYL)AMINO]-",019745-44-9,88222,"3-[4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]-N-(2-phenylethyl)anilino]propanenitrile",C1=CC=C(C=C1)CCN(CCC#N)C2=CC=C(C=C2)N=NC3=NC=C(S3)[N+](=O)[O-],"InChI=1S/C20H18N6O2S/c21-12-4-13-25(14-11-16-5-2-1-3-6-16)18-9-7-17(8-10-18)23-24-20-22-15-19(29-20)26(27)28/h1-3,5-10,15H,4,11,13-14H2",UCYGCDJAPVVJGP-UHFFFAOYSA-N,C20H18N6O2S,406.5,406.121195,5,139,590,0,0,8,8,29,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,3-DIAZETIDINE-2,4-DIONE, 1,3-BIS(3-ISOCYANATO METHYLPHENYL)-",026747-90-0,93102,"1,3-bis(3-isocyanato-4-methylphenyl)-1,3-diazetidine-2,4-dione",CC1=C(C=C(C=C1)N2C(=O)N(C2=O)C3=CC(=C(C=C3)C)N=C=O)N=C=O,"InChI=1S/C18H12N4O4/c1-11-3-5-13(7-15(11)19-9-23)21-17(25)22(18(21)26)14-6-4-12(2)16(8-14)20-10-24/h3-8H,1-2H3",LOCPTSFJZDIICR-UHFFFAOYSA-N,C18H12N4O4,348.3,348.0858549,5,99.5,609,0,0,6,4,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1
"CHROMATE(1-), BIS[3-[(4,5-DIHYDRO-3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4-YL)AZO]",030112-70-0,156595507,chromium(3+);hydron;bis(2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-sulfamoylphenolate),[H+].CC1=C(C(=O)N([N-]1)C2=CC=CC=C2)N=NC3=C(C=CC(=C3)S(=O)(=O)N)[O-].CC1=C(C(=O)N([N-]1)C2=CC=CC=C2)N=NC3=C(C=CC(=C3)S(=O)(=O)N)[O-].[Cr+3],"InChI=1S/2C16H15N5O4S.Cr/c2*1-10-15(16(23)21(20-10)11-5-3-2-4-6-11)19-18-13-9-12(26(17,24)25)7-8-14(13)22;/h2*2-9H,1H3,(H4,17,18,19,20,22,23,24,25);/q;;+3/p-3",XTPVWEAMCUQNLP-UHFFFAOYSA-K,C32H27CrN10O8S2,795.7,795.08598,,275,1550,0,3,16,4,53,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"9,10-ANTHRACENEDIONE, 1,5-DIAMINO-4,8-DIHYDROXY(4-HYDROXYPHENYL)-",031529-83-6,83683,"1,5-diamino-4,8-dihydroxy-2-(4-hydroxyphenyl)anthracene-9,10-dione",C1=CC(=CC=C1C2=CC(=C3C(=C2N)C(=O)C4=C(C=CC(=C4C3=O)N)O)O)O,"InChI=1S/C20H14N2O5/c21-11-5-6-12(24)15-14(11)19(26)16-13(25)7-10(18(22)17(16)20(15)27)8-1-3-9(23)4-2-8/h1-7,23-25H,21-22H2",OXLITIGRBOEDEZ-UHFFFAOYSA-N,C20H14N2O5,362.3,362.0902716,3.2,147,605,0,5,7,1,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 4-AMINO-3-[[4-[[4-[(2,4-DIAMINOPHENYL)AZO]PHEN",052204-07-6,135666544,"disodium;4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]phenyl]sulfonylphenyl]diazenyl]-5-hydroxy-6-phenyldiazenylnaphthalene-2,7-disulfonate",C1=CC=C(C=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC4=CC=C(C=C4)S(=O)(=O)C5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N)N)N)O.[Na+].[Na+],"InChI=1S/C34H27N9O9S3.2Na/c35-20-6-15-27(26(36)18-20)41-38-22-7-11-24(12-8-22)53(45,46)25-13-9-23(10-14-25)40-42-32-28(54(47,48)49)16-19-17-29(55(50,51)52)33(34(44)30(19)31(32)37)43-39-21-4-2-1-3-5-21;;/h1-18,44H,35-37H2,(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2",ARJJUUGHVCQXMY-UHFFFAOYSA-L,C34H25N9Na2O9S3,845.8,845.0732755,,346,1690,0,4,18,8,57,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"9,10-ANTHRACENEDIONE, 1,5-BIS(PHENYLTHIO)-",055879-96-4,91914,"1,5-bis(phenylsulfanyl)anthracene-9,10-dione",C1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)SC5=CC=CC=C5,InChI=1S/C26H16O2S2/c27-25-20-14-8-16-22(30-18-11-5-2-6-12-18)24(20)26(28)19-13-7-15-21(23(19)25)29-17-9-3-1-4-10-17/h1-16H,JGDLEVAYNWLIKN-UHFFFAOYSA-N,C26H16O2S2,424.5,424.0591721,7,84.7,569,0,0,4,4,30,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"3A,7-METHANO-3AH-CYCLOPENTACYCLOOCTEN-3-OL, DECAHYDRO-1,1,7-TRIMETHYL-, FORMAT",058096-47-2,93948,"(4,4,8-trimethyl-2-tricyclo[6.3.1.01,5]dodecanyl) formate",CC1(CC(C23C1CCC(C2)(CCC3)C)OC=O)C,"InChI=1S/C16H26O2/c1-14(2)9-13(18-11-17)16-7-4-6-15(3,10-16)8-5-12(14)16/h11-13H,4-10H2,1-3H3",WXBDWVKJVASAHR-UHFFFAOYSA-N,C16H26O2,250.38,250.1932801,5,26.3,362,0,0,2,2,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,6-HEXANEDIYLBISCARBAMIC ACID, BIS[2-[2-(1-METHYLETHYL)-3-OXAZOLIDINYL]ETHYL] ESTER",059719-67-4,108381,"2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-[6-[2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate",CC(C)C1N(CCO1)CCOC(=O)NCCCCCCNC(=O)OCCN2CCOC2C(C)C,"InChI=1S/C24H46N4O6/c1-19(2)21-27(11-15-31-21)13-17-33-23(29)25-9-7-5-6-8-10-26-24(30)34-18-14-28-12-16-32-22(28)20(3)4/h19-22H,5-18H2,1-4H3,(H,25,29)(H,26,30)",KQYKAMMEDGWORJ-UHFFFAOYSA-N,C24H46N4O6,486.6,486.3417352,3.4,102,542,0,2,8,17,34,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"3-PYRIDINECARBONITRILE, 5-[(2-CYANO-4-NITROPHENYL)AZO]-6-[(2-HYDROXYETHYL)AMIN",063833-78-3,114311,5-[(2-cyano-4-nitrophenyl)diazenyl]-6-(2-hydroxyethylamino)-4-methyl-2-[3-(2-phenoxyethoxy)propylamino]pyridine-3-carbonitrile,CC1=C(C(=NC(=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)NCCO)NCCCOCCOC3=CC=CC=C3)C#N,"InChI=1S/C27H28N8O5/c1-19-23(18-29)26(30-10-5-13-39-14-15-40-22-6-3-2-4-7-22)32-27(31-11-12-36)25(19)34-33-24-9-8-21(35(37)38)16-20(24)17-28/h2-4,6-9,16,36H,5,10-15H2,1H3,(H2,30,31,32)",BIDDYYRWQMXLEP-UHFFFAOYSA-N,C27H28N8O5,544.6,544.218266,4.6,194,892,0,3,12,14,40,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,3,4-OXADIAZOLE-2(3H)-THIONE, 5-HEPTYL-",066473-10-7,3034773,"5-heptyl-3H-1,3,4-oxadiazole-2-thione",CCCCCCCC1=NNC(=S)O1,"InChI=1S/C9H16N2OS/c1-2-3-4-5-6-7-8-10-11-9(13)12-8/h2-7H2,1H3,(H,11,13)",XDBMHZSJUYNNQP-UHFFFAOYSA-N,C9H16N2OS,200.3,200.0983343,3.4,65.7,204,0,1,3,6,13,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,3-BENZENEDISULFONIC ACID, 4-[[5-(AMINOCARBONYL)-1-ETHYL-1,6-DIHYDRO-2-HYDROX",068110-27-0,135853760,"trisodium;4-[[4-[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfonatoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]-6-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl]benzene-1,3-disulfonate",CCN1C(=C(C(=C(C1=O)C(=O)N)C)N=NC2=C(C=C(C(=C2)NC3=NC(=NC(=N3)NC4=CC(=C(C=C4)S(=O)(=O)[O-])NC5=NC(=NC(=N5)N)Cl)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+],"InChI=1S/C27H24Cl2N14O12S3.3Na/c1-3-43-20(45)17(19(30)44)9(2)18(21(43)46)42-41-13-7-12(15(57(50,51)52)8-16(13)58(53,54)55)34-27-38-23(29)37-25(40-27)32-10-4-5-14(56(47,48)49)11(6-10)33-26-36-22(28)35-24(31)39-26;;;/h4-8,46H,3H2,1-2H3,(H2,30,44)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H3,31,33,35,36,39)(H2,32,34,37,38,40);;;/q;3*+1/p-3",YGMMRWWPNJTWOC-UHFFFAOYSA-K,C27H21Cl2N14Na3O12S3,969.6,967.9695639,,445,1960,0,6,24,10,61,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"PROPANENITRILE, 3-[[2-(ACETYLOXY)ETHYL][4-[(6-NITRO-2-BENZOTHIAZOLYL)AZO]PHENY",068133-69-7,109546,"2-[N-(2-cyanoethyl)-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl acetate",CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-],"InChI=1S/C20H18N6O4S/c1-14(27)30-12-11-25(10-2-9-21)16-5-3-15(4-6-16)23-24-20-22-18-8-7-17(26(28)29)13-19(18)31-20/h3-8,13H,2,10-12H2,1H3",ZNUBBVSUTSNSIM-UHFFFAOYSA-N,C20H18N6O4S,438.5,438.1110243,4,165,700,0,0,10,9,31,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,3-NAPHTHALENEDISULFONIC ACID, 7-[[2-(ACETYLAMINO)-4-[(5-CHLORO-2,6-DIFLUORO-",068155-62-4,109660,"disodium;7-[[2-acetamido-4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]phenyl]diazenyl]naphthalene-1,3-disulfonate",CC(=O)NC1=C(C=CC(=C1)NC2=C(C(=NC(=N2)F)F)Cl)N=NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C22H15ClF2N6O7S2.2Na/c1-10(32)26-17-8-12(27-21-19(23)20(24)28-22(25)29-21)4-5-16(17)31-30-13-3-2-11-6-14(39(33,34)35)9-18(15(11)7-13)40(36,37)38;;/h2-9H,1H3,(H,26,32)(H,27,28,29)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",PJFSGBWVNVLHPM-UHFFFAOYSA-L,C22H13ClF2N6Na2O7S2,656.9,655.9739117,,223,1130,0,2,14,5,42,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,5-NAPHTHALENEDISULFONIC ACID, 2-[[8-[[3-[(5-CHLORO-2,6-DIFLUORO-4-PYRIMIDINY",068238-92-6,109867,"tetrasodium;5-[[3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]benzoyl]amino]-3-[(1,5-disulfonatonaphthalen-2-yl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate",C1=CC(=CC(=C1)NC2=C(C(=NC(=N2)F)F)Cl)C(=O)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=C4O)N=NC5=C(C6=C(C=C5)C(=CC=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C31H19ClF2N6O14S4.4Na/c32-24-28(33)37-31(34)38-29(24)35-15-4-1-3-13(9-15)30(42)36-20-12-16(55(43,44)45)10-14-11-22(57(49,50)51)25(26(41)23(14)20)40-39-19-8-7-17-18(27(19)58(52,53)54)5-2-6-21(17)56(46,47)48;;;;/h1-12,41H,(H,36,42)(H,35,37,38)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4",KFZGCQOLFVUWBZ-UHFFFAOYSA-J,C31H15ClF2N6Na4O14S4,989.2,987.877645,,374,1930,0,3,21,6,62,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"CYCLOHEXANONE, 4-[(3,3-DIMETHYLBICYCLO[2.2.1]HEPT-2-YL)METHYL]-2-METHYL-",068901-22-4,111416,"4-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-methylcyclohexan-1-one",CC1CC(CCC1=O)CC2C3CCC(C3)C2(C)C,"InChI=1S/C17H28O/c1-11-8-12(4-7-16(11)18)9-15-13-5-6-14(10-13)17(15,2)3/h11-15H,4-10H2,1-3H3",TUCJTYGBRWODLS-UHFFFAOYSA-N,C17H28O,248.4,248.2140155,4.9,17.1,344,0,0,1,2,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"ETHANESULFONIC ACID, 2-[[[2,5-DICHLORO-4-[(2-METHYL-1H-INDOL-3-YL)AZO]PHENYL]S",068959-19-3,135666572,"sodium 2-[[2,5-dichloro-4-[(2-methyl-1H-indol-3-yl)diazenyl]phenyl]sulfonylamino]ethanesulfonate",CC1=C(C2=CC=CC=C2N1)N=NC3=CC(=C(C=C3Cl)S(=O)(=O)NCCS(=O)(=O)[O-])Cl.[Na+],"InChI=1S/C17H16Cl2N4O5S2.Na/c1-10-17(11-4-2-3-5-14(11)21-10)23-22-15-8-13(19)16(9-12(15)18)30(27,28)20-6-7-29(24,25)26;/h2-5,8-9,20-21H,6-7H2,1H3,(H,24,25,26);/q;+1/p-1",DFHVDLZDWDDGFQ-UHFFFAOYSA-M,C17H15Cl2N4NaO5S2,513.4,511.9758616,,161,836,0,2,8,7,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENESULFONIC ACID, 2-[[2-AMINO-8-HYDROXY-6-[(METHYLPHENYLAMINO)SULFONYL]-1-",070209-97-1,135764930,sodium 2-[[2-amino-8-hydroxy-6-[methyl(phenyl)sulfamoyl]naphthalen-1-yl]diazenyl]-5-[(2-chloroacetyl)amino]benzenesulfonate,CN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C3C(=C2)C=CC(=C3N=NC4=C(C=C(C=C4)NC(=O)CCl)S(=O)(=O)[O-])N)O.[Na+],"InChI=1S/C25H22ClN5O7S2.Na/c1-31(17-5-3-2-4-6-17)39(34,35)18-11-15-7-9-19(27)25(24(15)21(32)13-18)30-29-20-10-8-16(28-23(33)14-26)12-22(20)40(36,37)38;/h2-13,32H,14,27H2,1H3,(H,28,33)(H,36,37,38);/q;+1/p-1",QDXJCWRXWUFFQE-UHFFFAOYSA-M,C25H21ClN5NaO7S2,626,625.0468623,,211,1130,0,3,11,8,41,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,4-BENZENEDISULFONIC ACID, 2-[[4-[[4-[(4-AMINO-6-CHLORO-1,3,5-TRIAZIN-2-YL)AM",070210-13-8,172482,"trisodium;2-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulfonatonaphthalen-1-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]benzene-1,4-disulfonate",CC1=CC(=C(C=C1N=NC2=C(C=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])C)N=NC3=C4C=CC=C(C4=C(C=C3)NC5=NC(=NC(=N5)N)Cl)S(=O)(=O)[O-].[Na+].[Na+].[Na+],"InChI=1S/C27H22ClN9O9S3.3Na/c1-13-11-20(36-37-21-12-15(47(38,39)40)6-9-22(21)48(41,42)43)14(2)10-19(13)35-34-17-7-8-18(30-27-32-25(28)31-26(29)33-27)24-16(17)4-3-5-23(24)49(44,45)46;;;/h3-12H,1-2H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H3,29,30,31,32,33);;;/q;3*+1/p-3",QODWDUXKFKJVCQ-UHFFFAOYSA-K,C27H19ClN9Na3O9S3,814.1,812.9849473,,323,1500,0,2,18,6,52,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"1,3-BENZENEDISULFONIC ACID, 4-[[5-(AMINOCARBONYL)-1-ETHYL-1,6-DIHYDRO-2-HYDROX",070865-29-1,122231,"disodium;4-[(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzene-1,3-disulfonate",CCN1C(=C(C(=C(C1=O)N=NC2=C(C=C(C(=C2)NC3=NC(=NC(=N3)Cl)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C(=O)N)O.[Na+].[Na+],"InChI=1S/C18H16Cl2N8O9S2.2Na/c1-3-28-14(30)11(13(21)29)6(2)12(15(28)31)27-26-8-4-7(22-18-24-16(19)23-17(20)25-18)9(38(32,33)34)5-10(8)39(35,36)37;;/h4-5,30H,3H2,1-2H3,(H2,21,29)(H,32,33,34)(H,35,36,37)(H,22,23,24,25);;/q;2*+1/p-2",WOFHPDGARHNFJI-UHFFFAOYSA-L,C18H14Cl2N8Na2O9S2,667.4,665.9497604,,290,1280,0,3,15,6,41,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 5-[[4-[(5-CHLORO-2,6-DIFLUORO-4-PYRIMIDINYL)AM",072152-49-9,166232,"trisodium;5-[[4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]benzoyl]amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",C1=CC=C(C(=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C4=CC=C(C=C4)NC5=C(C(=NC(=N5)F)F)Cl)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+],"InChI=1S/C27H17ClF2N6O11S3.3Na/c28-21-24(29)33-27(30)34-25(21)31-14-7-5-12(6-8-14)26(38)32-17-11-15(48(39,40)41)9-13-10-19(50(45,46)47)22(23(37)20(13)17)36-35-16-3-1-2-4-18(16)49(42,43)44;;;/h1-11,37H,(H,32,38)(H,31,33,34)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3",DTJYROFTDDFIPE-UHFFFAOYSA-K,C27H14ClF2N6Na3O11S3,837.1,835.9232357,,309,1530,0,3,18,6,53,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1H-PYRAZOLE-3-CARBOXYLIC ACID, 4-[[4-[[(2,3-DICHLORO-6-QUINOXALINYL)CARBONYL]A",075199-00-7,166456,"trisodium;4-[[4-[(2,3-dichloroquinoxaline-6-carbonyl)amino]-2-sulfonatophenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate",C1=CC(=CC=C1N2C(=O)C(C(=N2)C(=O)[O-])N=NC3=C(C=C(C=C3)NC(=O)C4=CC5=C(C=C4)N=C(C(=N5)Cl)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+],"InChI=1S/C25H15Cl2N7O10S2.3Na/c26-21-22(27)30-17-9-11(1-7-15(17)29-21)23(35)28-12-2-8-16(18(10-12)46(42,43)44)31-32-19-20(25(37)38)33-34(24(19)36)13-3-5-14(6-4-13)45(39,40)41;;;/h1-10,19H,(H,28,35)(H,37,38)(H,39,40,41)(H,42,43,44);;;/q;3*+1/p-3",RJGNVZNQMMHZLS-UHFFFAOYSA-K,C25H12Cl2N7Na3O10S2,774.4,772.9157202,,284,1450,0,1,15,5,49,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZOIC ACID, 4-[(1-BUTYL-5-CYANO-1,6-DIHYDRO-2-HYDROXY-4-METHYL-6-OXO-3-PYRID",075199-13-2,166460,benzyl 4-[(1-butyl-5-cyano-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]benzoate,CCCCN1C(=C(C(=C(C1=O)N=NC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3)C)C#N)O,"InChI=1S/C25H24N4O4/c1-3-4-14-29-23(30)21(15-26)17(2)22(24(29)31)28-27-20-12-10-19(11-13-20)25(32)33-16-18-8-6-5-7-9-18/h5-13,30H,3-4,14,16H2,1-2H3",PJILQVVUGZBIRF-UHFFFAOYSA-N,C25H24N4O4,444.5,444.1797553,4.7,115,868,0,1,7,9,33,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"XANTHYLIUM, 3,6-BIS(ETHYLAMINO)-9-[2-(METHOXYCARBONYL)PHENYL]-2,7-DIMETHYL-, M",075627-12-2,3086031,"methyl 2-[3,6-bis(ethylamino)-2,7-dimethyl-1H-xanthen-9-yl]benzoate",CCNC1=CC2=C(C=C1C)C(=C3CC(=C(C=C3O2)NCC)C)C4=CC=CC=C4C(=O)OC,"InChI=1S/C27H30N2O3/c1-6-28-22-14-24-20(12-16(22)3)26(18-10-8-9-11-19(18)27(30)31-5)21-13-17(4)23(29-7-2)15-25(21)32-24/h8-12,14-15,28-29H,6-7,13H2,1-5H3",QRMFKPKHIPCYEO-UHFFFAOYSA-N,C27H30N2O3,430.5,430.2256428,4.9,59.6,812,0,2,5,7,32,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 4-AMINO-6-[[5-[[4-CHLORO-6-[[3-[[2-(SULFOOXY)E",080156-94-1,136075740,"pentasodium;5-amino-3-[[5-[[4-chloro-6-[3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-4-hydroxy-6-[(4-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate",C1=CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)[O-])NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)S(=O)(=O)[O-])N=NC4=C(C5=C(C(=C(C=C5C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC6=CC=C(C=C6)S(=O)(=O)[O-])N)O.[Na+].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C33H27ClN10O19S6.5Na/c34-31-38-32(36-18-2-1-3-21(14-18)64(46,47)11-10-63-69(60,61)62)40-33(39-31)37-19-6-9-23(66(51,52)53)22(15-19)42-44-29-25(68(57,58)59)13-16-12-24(67(54,55)56)28(27(35)26(16)30(29)45)43-41-17-4-7-20(8-5-17)65(48,49)50;;;;;/h1-9,12-15,45H,10-11,35H2,(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H2,36,37,38,39,40);;;;;/q;5*+1/p-5",CYHNYXLZHYASKT-UHFFFAOYSA-I,C33H22ClN10Na5O19S6,1205.4,1203.856395,,538,2460,0,4,29,12,74,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,4-BENZENEDISULFONIC ACID, 2-[[4-[[4-[[(2,3-DICHLORO-6-QUINOXALINYL)CARBONYL]",083399-85-3,163364,"dilithium;disodium;2-[[4-[[4-[(2,3-dichloroquinoxaline-6-carbonyl)amino]-5-sulfonatonaphthalen-1-yl]diazenyl]-7-sulfonatonaphthalen-1-yl]diazenyl]benzene-1,4-disulfonate",[Li+].[Li+].C1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)[O-])NC(=O)C3=CC4=C(C=C3)N=C(C(=N4)Cl)Cl)N=NC5=C6C=CC(=CC6=C(C=C5)N=NC7=C(C=CC(=C7)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C35H21Cl2N7O13S4.2Li.2Na/c36-33-34(37)39-28-14-17(4-8-26(28)38-33)35(45)40-27-12-11-24(21-2-1-3-31(32(21)27)61(55,56)57)42-41-23-9-10-25(22-15-18(58(46,47)48)5-7-20(22)23)43-44-29-16-19(59(49,50)51)6-13-30(29)60(52,53)54;;;;/h1-16H,(H,40,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);;;;/q;4*+1/p-4",UBWFIQDOSMQAAH-UHFFFAOYSA-J,C35H17Cl2Li2N7Na2O13S4,1002.6,1000.925969,,367,2060,0,1,19,6,65,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"CUPRATE(4-), [3-CARBOXY-1-[4-[[3-[[[(2-CARBOXY-5-SULFOPHENYL)AZO]PHENYLMETHYL]",089797-01-3,136058574,"trisodium;1-[4-[3-[[[(2-carboxy-5-sulfophenyl)diazenyl]-phenylmethyl]diazenyl]-2-hydroxy-5-sulfoanilino]-6-(2-chloro-5-sulfoanilino)-1,3,5-triazin-2-yl]pyridin-1-ium-3-carboxylic acid;copper;hydron",[H+].C1=CC=C(C=C1)C(N=NC2=CC(=CC(=C2O)NC3=NC(=NC(=N3)NC4=C(C=CC(=C4)S(=O)(=O)O)Cl)[N+]5=CC=CC(=C5)C(=O)O)S(=O)(=O)O)N=NC6=C(C=CC(=C6)S(=O)(=O)O)C(=O)O.[Na+].[Na+].[Na+].[Cu],"InChI=1S/C35H25ClN10O14S3.Cu.3Na/c36-24-11-9-21(62(55,56)57)14-26(24)37-33-39-34(41-35(40-33)46-12-4-7-19(17-46)31(48)49)38-27-15-22(63(58,59)60)16-28(29(27)47)43-45-30(18-5-2-1-3-6-18)44-42-25-13-20(61(52,53)54)8-10-23(25)32(50)51;;;;/h1-17,30H,(H7-,37,38,39,40,41,42,43,44,45,47,48,49,50,51,52,53,54,55,56,57,58,59,60);;;;/q;;3*+1/p+2",USOYIBVBPBMHJH-UHFFFAOYSA-P,C35H27ClCuN10Na3O14S3+5,1075.8,1073.954792,,399,1990,5,9,23,1,67,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1H-PYRAZOLE-3-CARBOXYLIC ACID, 4-[3-[3-CARBOXY-5-HYDROXY-1-(4-SULFOPHENYL)-1H-",090066-12-9,6442001,"tetrasodium;(4Z)-4-[(E)-3-[5-carboxylato-3-oxo-2-(4-sulfonatophenyl)-1H-pyrazol-4-yl]prop-2-enylidene]-5-oxo-1-(4-sulfonatophenyl)pyrazole-3-carboxylate;N,N-diethylethanamine",CCN(CC)CC.C1=CC(=CC=C1N2C(=O)C(=C(N2)C(=O)[O-])/C=C/C=C\3/C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C23H16N4O12S2.C6H15N.4Na/c28-20-16(18(22(30)31)24-26(20)12-4-8-14(9-5-12)40(34,35)36)2-1-3-17-19(23(32)33)25-27(21(17)29)13-6-10-15(11-7-13)41(37,38)39;1-4-7(5-2)6-3;;;;/h1-11,24H,(H,30,31)(H,32,33)(H,34,35,36)(H,37,38,39);4-6H2,1-3H3;;;;/q;;4*+1/p-4/b2-1+,17-3-;;;;;",WITYRCRVSBWUEK-YZCLWIHFSA-J,C29H27N5Na4O12S2,793.6,793.0688408,,280,1470,0,1,15,7,52,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 4-AMINO-6-[[5-[(5-CHLORO-2,6-DIFLUORO-4-PYRIMI",108624-00-6,135666640,"dilithium;disodium;5-amino-3-[[5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulfonatophenyl]diazenyl]-4-hydroxy-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate",[Li+].[Li+].C1=CC(=CC=C1N=NC2=C(C=C3C=C(C(=C(C3=C2N)O)N=NC4=C(C=CC(=C4)NC5=C(C(=NC(=N5)F)F)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C28H21ClF2N8O16S5.2Li.2Na/c29-21-26(30)34-28(31)35-27(21)33-14-3-6-17(57(43,44)45)16(11-14)37-39-24-19(59(49,50)51)10-12-9-18(58(46,47)48)23(22(32)20(12)25(24)40)38-36-13-1-4-15(5-2-13)56(41,42)8-7-55-60(52,53)54;;;;/h1-6,9-11,40H,7-8,32H2,(H,33,34,35)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4",QXUWQYSHEPMJKM-UHFFFAOYSA-J,C28H17ClF2Li2N8Na2O16S5,1015.2,1013.913812,,448,2080,0,3,26,10,64,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
AZADIRACHTIN,011141-17-6,5281303,"dimethyl (1S,4S,5R,6S,7S,8R,11S,12R,14S,15R)-12-acetyloxy-4,7-dihydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6-methyl-14-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate",C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]14CO[C@@]([C@H]4[C@]([C@@H]3O)(C)[C@@]56[C@@H]7C[C@H]([C@@]5(O6)C)[C@]8(C=CO[C@H]8O7)O)(C(=O)OC)O)C(=O)OC)OC(=O)C,"InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22-,23-,25+,28+,29-,30+,31+,32+,33+,34+,35+/m1/s1",FTNJWQUOZFUQQJ-NDAWSKJSSA-N,C35H44O16,720.7,720.2629353,-0.6,215,1660,0,3,16,10,51,Flash point > 58 °C,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
MITRAGYNINE,004098-40-2,3034396,"methyl (E)-2-[(2S,3S,12bS)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate",CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC,"InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1",LELBFTMXCIIKKX-QVRQZEMUSA-N,C23H30N2O4,398.5,398.2205574,3.4,63.8,624,0,1,5,6,29,,235 °C at 5 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"DECANEDIOIC ACID, 1,10-BIS(1,2,2,6,6-PENTAMETHYL-4-PIPERIDINYL)ESTER, MIXT, WITH 1-METHYL 10-(1,2,2,6,6-PENTAMETHYL-4-PIPERIDINYL)DECANEDIOATE",1065336-91-5,71306753,"bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;1-O-methyl 10-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate",CC1(CC(CC(N1C)(C)C)OC(=O)CCCCCCCCC(=O)OC)C.CC1(CC(CC(N1C)(C)C)OC(=O)CCCCCCCCC(=O)OC2CC(N(C(C2)(C)C)C)(C)C)C,"InChI=1S/C30H56N2O4.C21H39NO4/c1-27(2)19-23(20-28(3,4)31(27)9)35-25(33)17-15-13-11-12-14-16-18-26(34)36-24-21-29(5,6)32(10)30(7,8)22-24;1-20(2)15-17(16-21(3,4)22(20)5)26-19(24)14-12-10-8-7-9-11-13-18(23)25-6/h23-24H,11-22H2,1-10H3;17H,7-16H2,1-6H3",YHEPZZFDBQOSSN-UHFFFAOYSA-N,C51H95N3O8,878.3,877.711917,,115,1090,0,0,11,25,62,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,1,0,0
"COBALTATE(2-), BIS[2-[[5-(AMINOSULFONYL)-2-HYDROXYPHENYL]AZO]-3-OXO-N-PHENYLBU",012715-61-6,136661874,cobalt(2+);bis([2-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]-3-oxobutanoyl]-phenylazanide),CC(=O)C(C(=O)[N-]C1=CC=CC=C1)N=NC2=C(C=CC(=C2)S(=O)(=O)N)O.CC(=O)C(C(=O)[N-]C1=CC=CC=C1)N=NC2=C(C=CC(=C2)S(=O)(=O)N)O.[Co+2],"InChI=1S/2C16H16N4O5S.Co/c2*1-10(21)15(16(23)18-11-5-3-2-4-6-11)20-19-13-9-12(26(17,24)25)7-8-14(13)22;/h2*2-9,15H,1H3,(H4,17,18,20,22,23,24,25);/q;;+2/p-2",OZBOCTYTBNPHIM-UHFFFAOYSA-L,C32H30CoN8O10S2,809.7,809.085825,,297,1400,0,4,18,12,53,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"5,6-DIHYDRO-2-METHYL-N-PHENYL-1,4-OXATHIIN-3-CARBOXAMIDE",005234-68-4,21307,"6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide",CC1=C(SCCO1)C(=O)NC2=CC=CC=C2,"InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)",GYSSRZJIHXQEHQ-UHFFFAOYSA-N,C12H13NO2S,235.3,235.0666998,2.1,63.6,295,0,1,3,2,16,203 °C,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
"TETRAHYDROMETHYL-1,3-ISOBENZOFURANDIONE",011070-44-3,3033842,"3a-methyl-5,6-dihydro-4H-2-benzofuran-1,3-dione",CC12CCCC=C1C(=O)OC2=O,"InChI=1S/C9H10O3/c1-9-5-3-2-4-6(9)7(10)12-8(9)11/h4H,2-3,5H2,1H3",LOYDTBZMMPQJNI-UHFFFAOYSA-N,C9H10O3,166.17,166.0629942,1.4,43.4,290,0,0,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
PYROMELLITIC ANHYDRIDE,000089-32-7,6966,"furo[3,4-f][2]benzofuran-1,3,5,7-tetrone",C1=C2C(=CC3=C1C(=O)OC3=O)C(=O)OC2=O,InChI=1S/C10H2O6/c11-7-3-1-4-6(10(14)16-8(4)12)2-5(3)9(13)15-7/h1-2H,ANSXAPJVJOKRDJ-UHFFFAOYSA-N,C10H2O6,218.12,217.9851378,0.7,86.7,349,0,0,6,0,16,,397-400 °C,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
ISOCYCLOCITRAL,001335-66-6,16204527,"2,4,6-trimethylcyclohex-3-ene-1-carbaldehyde;3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde",CC1CC(=CC(C1C=O)C)C.CC1C=C(CC(C1C)C=O)C,"InChI=1S/2C10H16O/c1-7-4-8(2)9(3)10(5-7)6-11;1-7-4-8(2)10(6-11)9(3)5-7/h2*4,6,8-10H,5H2,1-3H3",AEXLFXYEFLKADK-UHFFFAOYSA-N,C20H32O2,304.5,304.2402303,,34.1,363,0,0,2,2,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Benzoic acid, 2-((((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfony",083055-99-6,54960,"methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate",COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC,"InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)",XMQFTWRPUQYINF-UHFFFAOYSA-N,C16H18N4O7S,410.4,410.0896201,1.6,154,627,0,2,9,8,28,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,5-NAPHTHALENEDISULFONIC ACID, 2-[[6-[(5-CHLORO-2,6-DIFLUORO-4-PYRIMIDINYL)AM",072828-73-0,175186,"trisodium;2-[[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]naphthalene-1,5-disulfonate",C1=CC2=C(C=CC(=C2S(=O)(=O)[O-])N=NC3=C(C=C4C=C(C=CC4=C3O)NC5=C(C(=NC(=N5)F)F)Cl)S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-].[Na+].[Na+].[Na+],"InChI=1S/C24H14ClF2N5O10S3.3Na/c25-18-22(26)29-24(27)30-23(18)28-11-4-5-12-10(8-11)9-17(44(37,38)39)19(20(12)33)32-31-15-7-6-13-14(21(15)45(40,41)42)2-1-3-16(13)43(34,35)36;;;/h1-9,33H,(H,28,29,30)(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3",XAQCRMBBLVHCHU-UHFFFAOYSA-K,C24H11ClF2N5Na3O10S3,768,766.9017719,,280,1390,0,2,17,4,48,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
AMUDANE,000126-07-8,441140,"(2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione",C[C@@H]1CC(=O)C=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC,"InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1",DDUHZTYCFQRHIY-RBHXEPJQSA-N,C17H17ClO6,352.8,352.071366,2.2,71.1,575,0,0,6,3,24,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,1,0,0
SPIROMESIFEN,283594-90-1,9907412,"[2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] 3,3-dimethylbutanoate",CC1=CC(=C(C(=C1)C)C2=C(C3(CCCC3)OC2=O)OC(=O)CC(C)(C)C)C,"InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3",GOLXNESZZPUPJE-UHFFFAOYSA-N,C23H30O4,370.5,370.2144094,5.1,52.6,621,0,0,4,5,27,,,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
ARALDITE CY 179,002386-87-0,16949,7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate,C1CC2C(O2)CC1COC(=O)C3CCC4C(C3)O4,"InChI=1S/C14H20O4/c15-14(9-2-4-11-13(6-9)18-11)16-7-8-1-3-10-12(5-8)17-10/h8-13H,1-7H2",YXALYBMHAYZKAP-UHFFFAOYSA-N,C14H20O4,252.31,252.1361591,1.5,51.4,356,0,0,4,4,18,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,1,0
"2-BENZOTHIAZOLESULFENAMIDE, N,N-DICYCLOHEXYL-",004979-32-2,21080,"N-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclohexylcyclohexanamine",C1CCC(CC1)N(C2CCCCC2)SC3=NC4=CC=CC=C4S3,"InChI=1S/C19H26N2S2/c1-3-9-15(10-4-1)21(16-11-5-2-6-12-16)23-19-20-17-13-7-8-14-18(17)22-19/h7-8,13-16H,1-6,9-12H2",CMAUJSNXENPPOF-UHFFFAOYSA-N,C19H26N2S2,346.6,346.1537412,6.7,69.7,348,0,0,4,4,23,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
STILBENE 420,027344-41-8,5332133,disodium;2-[(E)-2-[4-[4-[(E)-2-(2-sulfonatophenyl)ethenyl]phenyl]phenyl]ethenyl]benzenesulfonate,C1=CC=C(C(=C1)/C=C/C2=CC=C(C=C2)C3=CC=C(C=C3)/C=C/C4=CC=CC=C4S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C28H22O6S2.2Na/c29-35(30,31)27-7-3-1-5-25(27)19-13-21-9-15-23(16-10-21)24-17-11-22(12-18-24)14-20-26-6-2-4-8-28(26)36(32,33)34;;/h1-20H,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/b19-13+,20-14+;;",PMPJQLCPEQFEJW-HPKCLRQXSA-L,C28H20Na2O6S2,562.6,562.0496693,,131,852,0,0,6,5,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,4,5-DIBENZOPYRENE",000192-65-4,9126,"hexacyclo[10.10.2.02,7.08,24.015,23.016,21]tetracosa-1(22),2,4,6,8,10,12(24),13,15(23),16,18,20-dodecaene",C1=CC=C2C3=C4C(=CC2=C1)C5=CC=CC=C5C6=CC=CC(=C64)C=C3,InChI=1S/C24H14/c1-2-8-17-16(6-1)14-22-19-10-4-3-9-18(19)20-11-5-7-15-12-13-21(17)24(22)23(15)20/h1-14H,KGHMWBNEMFNJFZ-UHFFFAOYSA-N,C24H14,302.4,302.1095504,7.3,0,480,0,0,0,0,24,,,1,0,0,0,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0
RAMOPLANIN,076168-82-6,16132338,"2-[[(2R)-2-[[(2S)-2-[[2-[[2-[[(2S,3S)-2-[[2-[[(2R)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-[[(2R)-2-[[(2R,3S)-2-[[(2R)-5-amino-2-[[(2R)-2-[[4-amino-2-[[(2S)-4-amino-2-[[(2Z,4Z)-octa-2,4-dienoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]pentanoyl]amino]-3-hydroxybutanoyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]-3-hydroxybutanoyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]acetyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-2-(3-chloro-4-hydroxycyclohexyl)acetic acid",CCC/C=C\C=C/C(=O)N[C@@H](CC(=O)N)C(=O)NC(CC(=O)N)C(=O)N[C@H](C1CCC(CC1)O)C(=O)N[C@H](CCCN)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H](C2CCC(CC2)O)C(=O)N[C@H](C3CCC(CC3)O)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@H](CCCN)C(=O)NC(C5CCC(CC5)O)C(=O)N[C@@H]([C@H](C)O)C(=O)NC(C6CCC(CC6)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)NC(C7CCC(C(C7)Cl)O)C(=O)O,"InChI=1S/C106H170ClN21O30/c1-8-9-10-11-15-22-80(140)114-75(50-78(110)138)96(147)118-76(51-79(111)139)97(148)124-86(60-25-36-66(133)37-26-60)102(153)117-72(21-17-46-109)92(143)120-83(56(6)130)100(151)126-89(63-31-42-69(136)43-32-63)105(156)127-88(62-29-40-68(135)41-30-62)104(155)121-82(55(5)129)99(150)119-74(48-58-18-13-12-14-19-58)95(146)116-71(20-16-45-108)93(144)123-87(61-27-38-67(134)39-28-61)103(154)122-84(57(7)131)101(152)125-85(59-23-34-65(132)35-24-59)98(149)112-52-81(141)115-73(47-53(2)3)94(145)113-54(4)91(142)128-90(106(157)158)64-33-44-77(137)70(107)49-64/h10-15,18-19,22,53-57,59-77,82-90,129-137H,8-9,16-17,20-21,23-52,108-109H2,1-7H3,(H2,110,138)(H2,111,139)(H,112,149)(H,113,145)(H,114,140)(H,115,141)(H,116,146)(H,117,153)(H,118,147)(H,119,150)(H,120,143)(H,121,155)(H,122,154)(H,123,144)(H,124,148)(H,125,152)(H,126,151)(H,127,156)(H,128,142)(H,157,158)/b11-10-,22-15-/t54-,55+,56+,57+,59?,60?,61?,62?,63?,64?,65?,66?,67?,68?,69?,70?,71-,72-,73+,74+,75+,76?,77?,82+,83-,84+,85?,86-,87?,88-,89-,90?/m1/s1",FSBZBQUUCNYWOK-YIOPJBSBSA-N,C106H170ClN21O30,2254.1,2253.214456,-4.8,852,4810,0,31,32,61,158,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
TELITHROMYCIN,191114-48-4,3002190,"(1S,2R,5R,7R,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-15-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone",CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=C4)C5=CN=CC=C5)C,"InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33-,36-,37-,38-,40+,42-,43-/m1/s1",LJVAJPDWBABPEJ-PNUFFHFMSA-N,C43H65N5O10,812,811.4731433,4.2,172,1440,0,1,13,11,58,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
"1H-ISOINDOLE-1,3(2H)-DIONE, 2-(OXIRANYLMETHYL)-",005455-98-1,21601,"2-(oxiran-2-ylmethyl)isoindole-1,3-dione",C1C(O1)CN2C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C11H9NO3/c13-10-8-3-1-2-4-9(8)11(14)12(10)5-7-6-15-7/h1-4,7H,5-6H2",DUILGEYLVHGSEE-UHFFFAOYSA-N,C11H9NO3,203.19,203.0582431,1.2,49.9,291,0,0,3,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,4,6,7,8-PENTAOXA-3,5-DIPHOSPHA-1-SILATRICYCLO[3.1.1.11,3]OCTANE, 3,5-DIOXIDE",013827-38-8,83762,"2,4,6,7,8-pentaoxa-3lambda5,5lambda5-diphospha-1-silatricyclo[3.1.1.11,3]octane 3,5-dioxide",O=P12O[Si]3(O1)OP(=O)(O3)O2,"InChI=1S/O7P2Si/c1-8-3-9(2)6-10(4-8,5-8)7-9",VYDNCCLNAHRIST-UHFFFAOYSA-N,O7P2Si,202.03,201.8888529,,80.3,251,0,0,7,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"2-NAPHTHALENECARBOXAMIDE, N-(2,3-DIHYDRO-2-OXO-1H-BENZIMIDAZOL-5-YL)-3-HYDROXY",026848-40-8,117877,"3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)naphthalene-2-carboxamide",C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC4=C(C=C3)NC(=O)N4)O,"InChI=1S/C18H13N3O3/c22-16-8-11-4-2-1-3-10(11)7-13(16)17(23)19-12-5-6-14-15(9-12)21-18(24)20-14/h1-9,22H,(H,19,23)(H2,20,21,24)",QSDHDEWDUFYUCO-UHFFFAOYSA-N,C18H13N3O3,319.3,319.0956913,2.8,90.5,512,0,4,3,2,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENAMINIUM, 3-[(4-AMINO-6-BROMO-5,8-DIHYDRO-1-HYDROXY-8-IMINO-5-OXO-2-NAPHT",068123-13-7,93377,"[3-[(4,8-diamino-6-bromo-5-hydroxy-1-oxonaphthalen-2-ylidene)amino]phenyl]-trimethylazanium chloride",C[N+](C)(C)C1=CC=CC(=C1)N=C2C=C(C3=C(C2=O)C(=CC(=C3O)Br)N)N.[Cl-],"InChI=1S/C19H19BrN4O2.ClH/c1-24(2,3)11-6-4-5-10(7-11)23-15-9-14(22)16-17(19(15)26)13(21)8-12(20)18(16)25;/h4-9H,1-3H3,(H4-,21,22,23,25,26);1H",RFQSMLBZXQOMKK-UHFFFAOYSA-N,C19H20BrClN4O2,451.7,450.04582,,102,628,0,3,6,2,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"CHROMATE(3-), BIS[3-[[5-(AMINOSULFONYL)-2-HYDROXYPHENYL]AZO]-4-HYDROXY-7-[[2-O",119535-63-6,170842030,"trisodium;6-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-2-[(2-hydroxy-5-sulfamoylphenyl)diazenyl]-3-sulfonaphthalen-1-olate;chromium(3+);2-[[5-oxido-6-[[2-oxido-5-(oxidosulfonimidoyl)phenyl]diazenyl]-7-sulfonatonaphthalen-2-yl]diazenyl]-3-oxo-N-phenylbutanimidate",CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=CC3=CC(=C(C(=C3C=C2)[O-])N=NC4=C(C=CC(=C4)S(=O)(=O)N)O)S(=O)(=O)O.CC(=O)C(C(=NC1=CC=CC=C1)[O-])N=NC2=CC3=CC(=C(C(=C3C=C2)[O-])N=NC4=C(C=CC(=C4)S(=N)(=O)[O-])[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cr+3],"InChI=1S/2C26H22N6O9S2.Cr.3Na/c2*1-14(33)23(26(36)28-16-5-3-2-4-6-16)31-29-17-7-9-19-15(11-17)12-22(43(39,40)41)24(25(19)35)32-30-20-13-18(42(27,37)38)8-10-21(20)34;;;;/h2*2-13,23,34-35H,1H3,(H,28,36)(H2,27,37,38)(H,39,40,41);;;;/q;;+3;3*+1/p-6",FCIRLGIFCMUOJX-UHFFFAOYSA-H,C52H38CrN12Na3O18S4,1368.2,1367.0408,,556,2560,0,5,29,17,90,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"METHYLIUM, TRIS[4-(DIMETHYLAMINO)PHENYL]-, SALT WITH 3-[[4-(PHENYLAMINO)PHENYL",065294-17-9,105196,"3-[(4-anilinophenyl)diazenyl]benzenesulfonate;[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium",CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-],"InChI=1S/C25H30N3.C18H15N3O3S/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14/h7-18H,1-6H3;1-13,19H,(H,22,23,24)/q+1;/p-1",PFSIUSJTHMWHPU-UHFFFAOYSA-M,C43H44N6O3S,724.9,724.3195605,,112,1060,0,1,8,8,53,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"CUPRATE(6-), [2-[[[[3-[[4-CHLORO-6-[[4-[[4-CHLORO-6-[(3-SULFOPHENYL)AMINO]-1,3",068132-91-2,136064491,"copper;pentasodium;2-[[[[3-[[4-chloro-6-[4-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2,5-disulfonatoanilino]-1,3,5-triazin-2-yl]amino]-2-oxido-5-sulfonatophenyl]diazenyl]-phenylmethyl]diazenyl]-5-sulfonatobenzoate;hydron",[H+].C1=CC=C(C=C1)[C-](N=NC2=C(C=C(C=C2)S(=O)(=O)[O-])C(=O)[O-])N=NC3=CC(=CC(=C3[O-])NC4=NC(=NC(=N4)Cl)NC5=C(C=C(C(=C5)S(=O)(=O)[O-])NC6=NC(=NC(=N6)NC7=CC(=CC=C7)S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Cu+2],"InChI=1S/C38H27Cl2N14O18S5.Cu.5Na/c39-33-45-35(41-18-7-4-8-19(11-18)73(58,59)60)49-36(46-33)42-24-15-29(77(70,71)72)25(16-28(24)76(67,68)69)43-37-47-34(40)48-38(50-37)44-26-13-21(75(64,65)66)14-27(30(26)55)52-54-31(17-5-2-1-3-6-17)53-51-23-10-9-20(74(61,62)63)12-22(23)32(56)57;;;;;;/h1-16,55H,(H,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,41,42,45,46,49)(H2,43,44,47,48,50);;;;;;/q-1;+2;5*+1/p-6",RGLVUXLSIPLEJY-UHFFFAOYSA-H,C38H21Cl2CuN14Na5O18S5,1371.4,1368.79233,,566,2590,0,5,33,13,83,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1
"2,7-NAPHTHALENEDISULFONIC ACID, 5-(ACETYLAMINO)-4-HYDROXY-3-[[4-[[[3-[[2-(SULF",085940-66-5,163503,"trisodium;5-acetamido-4-hydroxy-3-[[4-[[3-(2-sulfonatooxyethylsulfonyl)phenyl]carbamoyl]phenyl]diazenyl]naphthalene-2,7-disulfonate",CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C(=C2O)N=NC3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+],"InChI=1S/C27H24N4O15S4.3Na/c1-15(32)28-22-14-21(48(37,38)39)11-17-12-23(49(40,41)42)25(26(33)24(17)22)31-30-18-7-5-16(6-8-18)27(34)29-19-3-2-4-20(13-19)47(35,36)10-9-46-50(43,44)45;;;/h2-8,11-14,33H,9-10H2,1H3,(H,28,32)(H,29,34)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3",DPEUGRLBPCIGMU-UHFFFAOYSA-K,C27H21N4Na3O15S4,838.7,837.9579335,,352,1650,0,3,17,9,53,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1
"3,3',4,4'-BENZOPHENONETETRACARBOXYLIC ACID DIANHYDRIDE",002421-28-5,75498,"5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione",C1=CC2=C(C=C1C(=O)C3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O,InChI=1S/C17H6O7/c18-13(7-1-3-9-11(5-7)16(21)23-14(9)19)8-2-4-10-12(6-8)17(22)24-15(10)20/h1-6H,VQVIHDPBMFABCQ-UHFFFAOYSA-N,C17H6O7,322.22,322.0113525,2,104,597,0,0,7,2,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
TETRACHLOROCYCLOPROPENE,006262-42-6,80428,"1,2,3,3-tetrachlorocyclopropene",C1(=C(C1(Cl)Cl)Cl)Cl,"InChI=1S/C3Cl4/c4-1-2(5)3(1,6)7",BLZOHTXDDOAASQ-UHFFFAOYSA-N,C3Cl4,177.8,177.872461,3.6,0,120,0,0,0,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
AMBERLITE IRC50,009002-29-3,121763185,"(9-amino-3-bicyclo[3.3.1]nonanyl)-(4-benzyl-5-methyl-1,4-diazepan-1-yl)methanone;dihydrochloride",CC1CCN(CCN1CC2=CC=CC=C2)C(=O)C3CC4CCCC(C3)C4N.Cl.Cl,"InChI=1S/C23H35N3O.2ClH/c1-17-10-11-25(12-13-26(17)16-18-6-3-2-4-7-18)23(27)21-14-19-8-5-9-20(15-21)22(19)24;;/h2-4,6-7,17,19-22H,5,8-16,24H2,1H3;2*1H",DPEYHNFHDIXMNV-UHFFFAOYSA-N,C23H37Cl2N3O,442.5,441.2313682,,49.6,490,0,3,3,3,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
FULLERENE-C70,115383-22-7,16131935,"(C70-D5h(6))[5,6]fullerene",C12=C3C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%10=C%10C8=C5C1=C%10C1=C%13C5=C8C1=C2C1=C3C2=C3C%10=C%13C%14=C3C1=C8C1=C3C5=C%12C5=C8C%11=C%11C9=C7C7=C9C6=C4C2=C2C%10=C4C(=C29)C2=C6C(=C8C8=C9C6=C4C%13=C9C(=C%141)C3=C85)C%11=C27,InChI=1S/C70/c1-2-22-5-6-24-13-14-26-11-9-23-4-3(21(1)51-52(22)54(24)55(26)53(23)51)33-31(1)61-35-7-8-27-15-16-29-19-20-30-18-17-28-12-10(25(7)56-57(27)59(29)60(30)58(28)56)37(35)63(33)65-36(4)40(9)67(44(17)42(12)65)69-46(11)47(14)70(50(20)49(18)69)68-43(13)39(6)66(45(16)48(19)68)64-34(5)32(2)62(61)38(8)41(15)64,ATLMFJTZZPOKLC-UHFFFAOYSA-N,C70,840.7,840,10.1,0,4760,0,0,0,0,70,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"1,3,5-TRIMETHYL-1,1,3,5,5-PENTAPHENYLTRISILOXANE",003390-61-2,76925,methyl-bis[[methyl(diphenyl)silyl]oxy]-phenylsilane,C[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[Si](C)(C3=CC=CC=C3)O[Si](C)(C4=CC=CC=C4)C5=CC=CC=C5,"InChI=1S/C33H34O2Si3/c1-36(29-19-9-4-10-20-29,30-21-11-5-12-22-30)34-38(3,33-27-17-8-18-28-33)35-37(2,31-23-13-6-14-24-31)32-25-15-7-16-26-32/h4-28H,1-3H3",PHLASVAENYNAOW-UHFFFAOYSA-N,C33H34O2Si3,546.9,546.1866599,,18.5,615,0,0,2,9,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
HECTORITE,012173-47-6,72941499,"lithium;magnesium;sodium;1,3,5,7-tetraoxido-2,4,6,8,9,10-hexaoxa-1,3,5,7-tetrasilatricyclo[5.1.1.13,5]decane;dihydroxide",[Li+].[OH-].[OH-].[O-][Si]12O[Si](O1)(O[Si]3(O[Si](O3)(O2)[O-])[O-])[O-].[Na+].[Mg+2],"InChI=1S/Li.Mg.Na.O10Si4.2H2O/c;;;1-11-5-12(2,6-11)10-14(4)7-13(3,8-14)9-11;;/h;;;;2*1H2/q+1;+2;+1;-4;;/p-2",KWLMIXQRALPRBC-UHFFFAOYSA-L,H2LiMgNaO12Si4-2,360.6,359.853146,,150,224,-2,2,12,0,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
OXACYCLOHEPTADEC-7-EN-2-ONE,007779-50-2,3591866,1-oxacycloheptadec-7-en-2-one,C1CCCCC=CCCCCC(=O)OCCCC1,"InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h4,6H,1-3,5,7-15H2",HMWPDRYGIBLSHB-UHFFFAOYSA-N,C16H28O2,252.39,252.2089301,5.5,26.3,233,0,0,2,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2ALPHA-PHENYL-1,2-(2ALPHA)-HOMO[5,6]FULLERENE-C60-LH-2ALPHA-BUTANOIC ACID METHYL ESTER",160848-21-5,53384373,,COC(=O)CCCC1(C23C14C5=C6C7=C8C5=C9C1=C5C%10=C%11C%12=C%13C%10=C%10C1=C8C1=C%10C8=C%10C%14=C%15C%16=C%17C(=C%12C%12=C%17C%17=C%18C%16=C%16C%15=C%15C%10=C1C7=C%15C1=C%16C(=C%18C7=C2C2=C%10C(=C5C9=C42)C%11=C%12C%10=C%177)C3=C16)C%14=C%138)C1=CC=CC=C1,"InChI=1S/C72H14O2/c1-74-11(73)8-5-9-70(10-6-3-2-4-7-10)71-66-59-52-40-32-23-14-12-13-15-18(14)27-34(32)42-43-35(27)33-24(15)26-22-17(13)20-19-16(12)21-25(23)38(40)46-44-30(21)28(19)36-37-29(20)31(22)45-47-39(26)41(33)53-55(43)64(63(66)54(42)52)67-60(53)58(47)62-51(45)49(37)56-48(36)50(44)61(57(46)59)68(71)65(56)69(62)72(67,70)71/h2-4,6-7H,5,8-9H2,1H3",MCEWYIDBDVPMES-UHFFFAOYSA-N,C72H14O2,910.9,910.0993797,18.3,26.3,4190,0,0,2,6,74,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
DIPHENYLENEIODONIUM CHLORIDE,004673-26-1,2733504,"8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene chloride",C1=CC=C2C(=C1)C3=CC=CC=C3[I+]2.[Cl-],InChI=1S/C12H8I.ClH/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;/h1-8H;1H/q+1;/p-1,FCFZKAVCDNTYID-UHFFFAOYSA-M,C12H8ClI,314.55,313.93593,,0,170,0,0,1,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,3,5-TETRAMETHYL-1,1,5,5-TETRAPHENYLTRISILOXANE",003982-82-9,19882,dimethyl-bis[[methyl(diphenyl)silyl]oxy]silane,C[Si](C)(O[Si](C)(C1=CC=CC=C1)C2=CC=CC=C2)O[Si](C)(C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C28H32O2Si3/c1-31(2,29-32(3,25-17-9-5-10-18-25)26-19-11-6-12-20-26)30-33(4,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24H,1-4H3",YFCVAZGXPLMNDG-UHFFFAOYSA-N,C28H32O2Si3,484.8,484.1710099,,18.5,500,0,0,2,8,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-BIS(TRIPHENYLSILYL)BENZENE",018920-16-6,4351127,triphenyl-(3-triphenylsilylphenyl)silane,C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC(=CC=C4)[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7,"InChI=1S/C42H34Si2/c1-7-20-35(21-8-1)43(36-22-9-2-10-23-36,37-24-11-3-12-25-37)41-32-19-33-42(34-41)44(38-26-13-4-14-27-38,39-28-15-5-16-29-39)40-30-17-6-18-31-40/h1-34H",XSVXWCZFSFKRDO-UHFFFAOYSA-N,C42H34Si2,594.9,594.2199042,,0,671,0,0,0,8,44,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
SALIDROSIDE,010338-51-9,159278,"(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol",C1=CC(=CC=C1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",ILRCGYURZSFMEG-RKQHYHRCSA-N,C14H20O7,300.3,300.120903,-0.6,120,306,0,5,7,5,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"(1S,5R)-6,8-DIOXABICYCLO(3.2.1)OCTAN-4-ONE",53716-82-8,10975499,"(1S,5R)-6,8-dioxabicyclo[3.2.1]octan-4-one",C1CC(=O)[C@@H]2OC[C@H]1O2,"InChI=1S/C6H8O3/c7-5-2-1-4-3-8-6(5)9-4/h4,6H,1-3H2/t4-,6+/m0/s1",WHIRALQRTSITMI-UJURSFKZSA-N,C6H8O3,128.13,128.0473441,-0.2,35.5,143,0,0,3,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ANTHRA[9,1,2-CDE]BENZO[RST]PENTAPHENE-5,10-DIONE, 16,17-DIMETHOXY-",000128-58-5,31410,"30,34-dimethoxynonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6,8,10,14,17(31),18,20(32),22,24,26,28-hexadecaene-12,21-dione",COC1=C2C3=C(C=CC4=C3C(=C1)C5=CC=CC=C5C4=O)C6=C7C2=C(C=C8C7=C(C=C6)C(=O)C9=CC=CC=C98)OC,"InChI=1S/C36H20O4/c1-39-27-15-25-17-7-3-5-9-21(17)35(37)23-13-11-19-20-12-14-24-30-26(18-8-4-6-10-22(18)36(24)38)16-28(40-2)34(32(20)30)33(27)31(19)29(23)25/h3-16H,1-2H3",JXUKQCUPTNLTCS-UHFFFAOYSA-N,C36H20O4,516.5,516.1361591,8,52.6,971,0,0,4,2,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZAMIDE, N-[4-[[5-(BENZOYLAMINO)-9,10-DIHYDRO-9,10-DIOXO-1-ANTHRACENYL]AMINO",000128-89-2,5354981,"N-[4-[(5-benzamido-9,10-dioxoanthracen-1-yl)amino]-9,10-dioxoanthracen-1-yl]benzamide",C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)NC4=CC=CC5=C4C(=O)C6=C(C5=O)C(=CC=C6)NC(=O)C7=CC=CC=C7)C(=O)C8=CC=CC=C8C3=O,"InChI=1S/C42H25N3O6/c46-37-25-15-7-8-16-26(25)38(47)36-32(45-42(51)24-13-5-2-6-14-24)22-21-31(35(36)37)43-29-19-9-17-27-33(29)39(48)28-18-10-20-30(34(28)40(27)49)44-41(50)23-11-3-1-4-12-23/h1-22,43H,(H,44,50)(H,45,51)",HZCNWAWXJDZEHZ-UHFFFAOYSA-N,C42H25N3O6,667.7,667.1743355,8.7,139,1380,0,3,7,6,51,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-NAPHTHALENESULFONIC ACID, 6,8-BIS(PHENYLAMINO)-",000129-93-1,67218,"6,8-dianilinonaphthalene-1-sulfonic acid",C1=CC=C(C=C1)NC2=CC(=C3C(=C2)C=CC=C3S(=O)(=O)O)NC4=CC=CC=C4,"InChI=1S/C22H18N2O3S/c25-28(26,27)21-13-7-8-16-14-19(23-17-9-3-1-4-10-17)15-20(22(16)21)24-18-11-5-2-6-12-18/h1-15,23-24H,(H,25,26,27)",USFSONWQSVCJBO-UHFFFAOYSA-N,C22H18N2O3S,390.5,390.1038136,5,86.8,593,0,3,5,5,28,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
OCTADECAMETHYLCYCLONONASILOXANE,000556-71-8,11172,"2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18-octadecamethyl-1,3,5,7,9,11,13,15,17-nonaoxa-2,4,6,8,10,12,14,16,18-nonasilacyclooctadecane",C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)C,"InChI=1S/C18H54O9Si9/c1-28(2)19-29(3,4)21-31(7,8)23-33(11,12)25-35(15,16)27-36(17,18)26-34(13,14)24-32(9,10)22-30(5,6)20-28/h1-18H3",ISXOGOLHEGHGQF-UHFFFAOYSA-N,C18H54O9Si9,667.4,666.1691221,,83.1,517,0,0,9,0,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ALUMINUM, CHLORO[(2,5-DIOXO-4-IMIDAZOLIDINYL)UREATO]TETRAHYDROXYDI-",001317-25-5,136146352,"dialuminum;4-(carbamoylamino)-5-oxo-1,4-dihydroimidazol-2-olate;chloride;tetrahydroxide",C1(C(=O)NC(=N1)[O-])NC(=O)N.[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Cl-],"InChI=1S/C4H6N4O3.2Al.ClH.4H2O/c5-3(10)6-1-2(9)8-4(11)7-1;;;;;;;/h1H,(H3,5,6,10)(H2,7,8,9,11);;;1H;4*1H2/q;2*+3;;;;;/p-6",VTKMMWSAJLCWSM-UHFFFAOYSA-H,C4H9Al2ClN4O7,314.55,313.979053,,124,235,0,7,9,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-NAPHTHALENECARBOXALDEHYDE, 2-HYDROXY-, [(2-HYDROXY-1-NAPHTHALENYL)METHYLENE]",002387-03-3,75433,1-[[(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]methyl]naphthalen-2-ol,C1=CC=C2C(=C1)C=CC(=C2C=NN=CC3=C(C=CC4=CC=CC=C43)O)O,"InChI=1S/C22H16N2O2/c25-21-11-9-15-5-1-3-7-17(15)19(21)13-23-24-14-20-18-8-4-2-6-16(18)10-12-22(20)26/h1-14,25-26H",SYRBOMODLUADBZ-UHFFFAOYSA-N,C22H16N2O2,340.4,340.1211778,5.1,65.2,474,0,2,4,3,26,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"CARBAMOTHIOIC ACID, METHYL(3-METHYLPHENYL)-, O-2-NAPHTHALENYL ESTER",002398-96-1,5510,O-naphthalen-2-yl N-methyl-N-(3-methylphenyl)carbamothioate,CC1=CC(=CC=C1)N(C)C(=S)OC2=CC3=CC=CC=C3C=C2,"InChI=1S/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3",FUSNMLFNXJSCDI-UHFFFAOYSA-N,C19H17NOS,307.4,307.1030853,5.5,44.6,386,0,0,2,3,22,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2,8-dimethyl-5-(2-(6-methyl-3-pyrid",003613-73-8,197033,"2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole",CC1=CC2=C(C=C1)N(C3=C2CN(CC3)C)CCC4=CN=C(C=C4)C,"InChI=1S/C21H25N3/c1-15-4-7-20-18(12-15)19-14-23(3)10-9-21(19)24(20)11-8-17-6-5-16(2)22-13-17/h4-7,12-13H,8-11,14H2,1-3H3",JNODQFNWMXFMEV-UHFFFAOYSA-N,C21H25N3,319.4,319.2048478,3.5,21.1,425,0,0,2,3,24,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 4-HYDROXY-5-[[4-(PHENYLAMINO)-5-SULFO-1-NAPHTH",003861-73-2,24186254,,C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=C5C(=CC(=C4)S(=O)(=O)O)C=C(C=C5O)S(=O)(=O)O)C=CC=C3S(=O)(=O)O.[Na],"InChI=1S/C26H19N3O10S3.Na/c30-23-14-18(41(34,35)36)12-15-11-17(40(31,32)33)13-22(25(15)23)29-28-20-9-10-21(27-16-5-2-1-3-6-16)26-19(20)7-4-8-24(26)42(37,38)39;/h1-14,27,30H,(H,31,32,33)(H,34,35,36)(H,37,38,39);",OIGCDJDTHOEGAB-UHFFFAOYSA-N,C26H19N3NaO10S3,652.6,652.0130266,,245,1300,0,5,13,7,43,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Aspartimide, N-phthalyl-, (d,l)-",003982-20-5,72830,"2-(2,5-dioxopyrrolidin-3-yl)isoindole-1,3-dione",C1C(C(=O)NC1=O)N2C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C12H8N2O4/c15-9-5-8(10(16)13-9)14-11(17)6-3-1-2-4-7(6)12(14)18/h1-4,8H,5H2,(H,13,15,16)",VSNMIAXOGBPRIQ-UHFFFAOYSA-N,C12H8N2O4,244.2,244.0484067,0,83.6,435,0,1,4,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 2-(1-NAPHTHALENYLCARBONYL)-",005018-87-1,78723,2-(naphthalene-1-carbonyl)benzoic acid,C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CC=CC=C3C(=O)O,"InChI=1S/C18H12O3/c19-17(15-9-3-4-10-16(15)18(20)21)14-11-5-7-12-6-1-2-8-13(12)14/h1-11H,(H,20,21)",OXCYAVHGYGKEJY-UHFFFAOYSA-N,C18H12O3,276.3,276.0786442,4,54.4,403,0,1,3,3,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENESULFONIC ACID, 6-[(2,4-DIAMINOPHENYL)AZO]-3-[[4-[[4-[[7-[(2,4-DIA",006473-13-8,22980,"trisodium;6-[(2,4-diaminophenyl)diazenyl]-3-[[4-[4-[[7-[(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]-2-sulfonatoanilino]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate",C1=CC(=CC=C1NC2=C(C=C(C=C2)N=NC3=C(C=C4C=CC(=CC4=C3O)N=NC5=C(C=C(C=C5)N)N)S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC6=C(C=C7C=CC(=CC7=C6O)N=NC8=C(C=C(C=C8)N)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+],"InChI=1S/C44H35N13O11S3.3Na/c45-24-3-12-35(33(47)17-24)54-51-28-5-1-22-15-39(70(63,64)65)41(43(58)31(22)19-28)56-50-27-9-7-26(8-10-27)49-37-14-11-30(21-38(37)69(60,61)62)53-57-42-40(71(66,67)68)16-23-2-6-29(20-32(23)44(42)59)52-55-36-13-4-25(46)18-34(36)48;;;/h1-21,49,58-59H,45-48H2,(H,60,61,62)(H,63,64,65)(H,66,67,68);;;/q;3*+1/p-3",QTFHTNFVUCUDIR-UHFFFAOYSA-K,C44H32N13Na3O11S3,1084,1083.119945,,452,2220,0,7,24,10,74,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEMETHANAMINIUM, N-[4-[[4-[BIS(PHENYLMETHYL)AMINO]PHENYL](2,4-DISULFOPHEN",006483-73-4,160844,"sodium 4-[[4-(dibenzylamino)phenyl]-(4-dibenzylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]benzene-1,3-disulfonate",C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC=C(C=C3)C(=C4C=CC(=[N+](CC5=CC=CC=C5)CC6=CC=CC=C6)C=C4)C7=C(C=C(C=C7)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+],"InChI=1S/C47H40N2O6S2.Na/c50-56(51,52)44-29-30-45(46(31-44)57(53,54)55)47(40-21-25-42(26-22-40)48(32-36-13-5-1-6-14-36)33-37-15-7-2-8-16-37)41-23-27-43(28-24-41)49(34-38-17-9-3-10-18-38)35-39-19-11-4-12-20-39;/h1-31H,32-35H2,(H-,50,51,52,53,54,55);/q;+1/p-1",KQRZWHVIXVADGL-UHFFFAOYSA-M,C47H39N2NaO6S2,814.9,814.2147236,,137,1480,0,0,7,11,58,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,9-TRIPHENODIOXAZINEDISULFONIC ACID, 6,13-DICHLORO-3,10-BIS(PHENYLAMINO)-, DI",006527-70-4,81014,"disodium;10-anilino-6,13-dichloro-3-phenylimino-7H-[1,4]benzoxazino[2,3-b]phenoxazine-2,9-disulfonate",C1=CC=C(C=C1)NC2=C(C=C3C(=C2)OC4=C(C5=C(C(=C4N3)Cl)OC6=CC(=NC7=CC=CC=C7)C(=CC6=N5)S(=O)(=O)[O-])Cl)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C30H18Cl2N4O8S2.2Na/c31-25-28-30(44-22-12-20(34-16-9-5-2-6-10-16)24(46(40,41)42)14-18(22)36-28)26(32)27-29(25)43-21-11-19(33-15-7-3-1-4-8-15)23(45(37,38)39)13-17(21)35-27;;/h1-14,33,35H,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2",GRTBLYIRBPEDPE-UHFFFAOYSA-L,C30H16Cl2N4Na2O8S2,741.5,739.9581998,,198,1500,0,2,12,3,48,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANAMINE, N,N-DIMETHYL-2-[(4-METHYL-1,3,2-DIOXABORINAN-2-YL)OXY]-",007024-33-1,110946,"N,N-dimethyl-2-[(4-methyl-1,3,2-dioxaborinan-2-yl)oxy]ethanamine",B1(OCCC(O1)C)OCCN(C)C,"InChI=1S/C8H18BNO3/c1-8-4-6-11-9(13-8)12-7-5-10(2)3/h8H,4-7H2,1-3H3",NYGGAFJPZFOXAN-UHFFFAOYSA-N,C8H18BNO3,187.05,187.1379736,,30.9,145,0,0,4,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZONITRILE, 2-[[4-[(2-CYANOETHYL)(2-PHENYLETHYL)AMINO]PHENYL]AZO]-5-NITRO-",024610-00-2,90555,2-[[4-[2-cyanoethyl(2-phenylethyl)amino]phenyl]diazenyl]-5-nitrobenzonitrile,C1=CC=C(C=C1)CCN(CCC#N)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])C#N,"InChI=1S/C24H20N6O2/c25-14-4-15-29(16-13-19-5-2-1-3-6-19)22-9-7-21(8-10-22)27-28-24-12-11-23(30(31)32)17-20(24)18-26/h1-3,5-12,17H,4,13,15-16H2",CWNHPGPSJLVQCK-UHFFFAOYSA-N,C24H20N6O2,424.5,424.1647739,5,121,718,0,0,7,8,32,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H-PHOSPHOLE, DIHYDRO-1-METHYL-, 1-OXIDE",031563-86-7,70104,"1-methyl-2,3-dihydro-1lambda5-phosphole 1-oxide",CP1(=O)CCC=C1,"InChI=1S/C5H9OP/c1-7(6)4-2-3-5-7/h2,4H,3,5H2,1H3",IUUONVQOMMQAEH-UHFFFAOYSA-N,C5H9OP,116.1,116.0391019,-0.2,17.1,137,0,0,1,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-Piperazineethanol, 4-((5-chloro-2-oxo-3(2H)-benzothiazolyl)acetyl)-, hydroch",035941-71-0,443949,"5-chloro-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-one;hydrochloride",C1CN(CCN1CCO)C(=O)CN2C3=C(C=CC(=C3)Cl)SC2=O.Cl,"InChI=1S/C15H18ClN3O3S.ClH/c16-11-1-2-13-12(9-11)19(15(22)23-13)10-14(21)18-5-3-17(4-6-18)7-8-20;/h1-2,9,20H,3-8,10H2;1H",UKNGDQSYPNBJAO-UHFFFAOYSA-N,C15H19Cl2N3O3S,392.3,391.052418,,89.4,459,0,2,5,4,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-Pyridinesulfonamide, N-(((1-methylethyl)amino)carbonyl)-4-((3-methylphenyl)a",056211-40-6,41781,1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea,CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C,"InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)",NGBFQHCMQULJNZ-UHFFFAOYSA-N,C16H20N4O3S,348.4,348.1256117,2.7,109,518,0,3,5,5,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
"BENZENEPROPANAMIDE, N-(2-METHOXYPHENYL)-3-NITRO-.BETA.-OXO-",063134-28-1,113058,N-(2-methoxyphenyl)-3-(3-nitrophenyl)-3-oxopropanamide,COC1=CC=CC=C1NC(=O)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-],"InChI=1S/C16H14N2O5/c1-23-15-8-3-2-7-13(15)17-16(20)10-14(19)11-5-4-6-12(9-11)18(21)22/h2-9H,10H2,1H3,(H,17,20)",GXVZEBWLFFMKMY-UHFFFAOYSA-N,C16H14N2O5,314.29,314.0902716,3,101,448,0,1,5,5,23,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"CHROMATE(2-), [3-HYDROXY-4-[(2-HYDROXY-1-NAPHTHALENYL)AZO]-7-NITRO-1-NAPHTHALE",068479-94-7,163234,sodium;chromium(3+);7-(dioxidoamino)-3-oxo-4-[(2-oxonaphthalen-1-ylidene)hydrazinylidene]naphthalene-1-sulfonate;hydron;1-[(4-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate,[H+].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)[N+](=O)[O-])[O-])[O-].C1=CC=C2C(=C1)C=CC(=O)C2=NN=C3C4=C(C=C(C=C4)N([O-])[O-])C(=CC3=O)S(=O)(=O)[O-].[Na+].[Cr+3],"InChI=1S/C20H11N3O7S.C16H11N3O4.Cr.Na/c24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;20-14-8-5-10-3-1-2-4-12(10)16(14)18-17-13-7-6-11(19(22)23)9-15(13)21;;/h1-10H,(H,28,29,30);1-9,20-21H;;/q-2;;+3;+1/p-2",YLQBUOUCKZQZPW-UHFFFAOYSA-L,C36H20CrN6NaO11S,819.6,819.021351,,290,1450,0,1,16,3,56,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"CUPRATE(3-), [2-[[[[2-HYDROXY-5-SULFO-3-[(2,5,6-TRICHLORO-4-PYRIMIDINYL)AMINO]",070161-20-5,154734683,"copper;trisodium;3-[[(Z)-N-[(E)-[6-(dioxidomethylidene)-4-sulfonatocyclohexa-2,4-dien-1-ylidene]amino]-C-phenylcarbonimidoyl]diazenyl]-4-oxido-5-[(2,5,6-trichloropyrimidin-4-yl)amino]benzenesulfonate",C1=CC=C(C=C1)/C(=N/N=C/2\C=CC(=CC2=C([O-])[O-])S(=O)(=O)[O-])/N=NC3=CC(=CC(=C3[O-])NC4=C(C(=NC(=N4)Cl)Cl)Cl)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu+2],"InChI=1S/C24H16Cl3N7O9S2.Cu.3Na/c25-18-20(26)29-24(27)30-22(18)28-16-9-13(45(41,42)43)10-17(19(16)35)32-34-21(11-4-2-1-3-5-11)33-31-15-7-6-12(44(38,39)40)8-14(15)23(36)37;;;;/h1-10,35-37H,(H,28,29,30)(H,38,39,40)(H,41,42,43);;;;/q;+2;3*+1/p-5/b31-15+,33-21-,34-32?;;;;",XGCBJZARCVFRGE-XVMZNMKISA-I,C24H11Cl3CuN7Na3O9S2,844.4,841.81143,,288,1470,0,1,15,6,49,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 5-[[2,4-DIHYDROXY-5-[[4-[(4-NITRO-2-SULFOPHENY",070210-34-3,16130949,"tetrasodium;5-[[2,4-dihydroxy-5-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-3-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]naphthalene-2,7-disulfonate",C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-])N=NC3=CC(=C(C=C3O)O)N=NC4=C5C(=CC(=C4)S(=O)(=O)[O-])C=C(C(=C5O)N=NC6=CC=C(C=C6)NC7=C(C=C(C=C7)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C40H28N10O19S4.4Na/c51-33-19-34(52)31(18-30(33)45-43-23-5-1-21(2-6-23)41-28-11-9-25(49(54)55)15-35(28)71(61,62)63)46-47-32-17-27(70(58,59)60)13-20-14-37(73(67,68)69)39(40(53)38(20)32)48-44-24-7-3-22(4-8-24)42-29-12-10-26(50(56)57)16-36(29)72(64,65)66;;;;/h1-19,41-42,51-53H,(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69);;;;/q;4*+1/p-4",YEYRLCHTGWGSQF-UHFFFAOYSA-J,C40H24N10Na4O19S4,1168.9,1167.96928,,513,2430,0,5,27,10,77,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENESULFONIC ACID, 6-AMINO-5-[[2-[(ETHYLPHENYLAMINO)SULFONYL]PHENYL]A",070865-30-4,135764931,sodium 6-amino-5-[[2-[ethyl(phenyl)sulfamoyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate,CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2N=NC3=C(C=CC4=CC(=CC(=C43)O)S(=O)(=O)[O-])N.[Na+],"InChI=1S/C24H22N4O6S2.Na/c1-2-28(17-8-4-3-5-9-17)35(30,31)22-11-7-6-10-20(22)26-27-24-19(25)13-12-16-14-18(36(32,33)34)15-21(29)23(16)24;/h3-15,29H,2,25H2,1H3,(H,32,33,34);/q;+1/p-1",CKTWUZVWKLISAA-UHFFFAOYSA-M,C24H21N4NaO6S2,548.6,548.080021,,182,980,0,2,10,7,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"COBALTATE(2-), BIS[3-[(4,5-DIHYDRO-3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4-YL)AZO",072208-07-2,91668049,disodium;cobalt;bis(4-hydroxy-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]benzenesulfonamide),CC1=NN(C(=O)[C-]1N=NC2=C(C=CC(=C2)S(=O)(=O)N)O)C3=CC=CC=C3.CC1=NN(C(=O)[C-]1N=NC2=C(C=CC(=C2)S(=O)(=O)N)O)C3=CC=CC=C3.[Na+].[Na+].[Co],"InChI=1S/2C16H14N5O4S.Co.2Na/c2*1-10-15(16(23)21(20-10)11-5-3-2-4-6-11)19-18-13-9-12(26(17,24)25)7-8-14(13)22;;;/h2*2-9,22H,1H3,(H2,17,24,25);;;/q2*-1;;2*+1",PWGUGXPEWUZXJX-UHFFFAOYSA-N,C32H28CoN10Na2O8S2,849.7,849.066032,,292,1520,0,4,18,4,55,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 3-[[4-AMINO-9,10-DIHYDRO-9,10-DIOXO-3-[SULFO-4-(1,1,3,3-",072243-90-4,11969493,"disodium;3-[[4-amino-9,10-dioxo-3-[2-sulfonato-4-(2,4,4-trimethylpentan-2-yl)phenoxy]anthracen-1-yl]amino]-2,4,6-trimethylbenzenesulfonate",CC1=CC(=C(C(=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)OC5=C(C=C(C=C5)C(C)(C)CC(C)(C)C)S(=O)(=O)[O-])C)S(=O)(=O)[O-])C.[Na+].[Na+],"InChI=1S/C37H40N2O9S2.2Na/c1-19-15-20(2)35(50(45,46)47)21(3)32(19)39-25-17-27(31(38)30-29(25)33(40)23-11-9-10-12-24(23)34(30)41)48-26-14-13-22(16-28(26)49(42,43)44)37(7,8)18-36(4,5)6;;/h9-17,39H,18,38H2,1-8H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2",VVIVVAIHOWVTHB-UHFFFAOYSA-L,C37H38N2Na2O9S2,764.8,764.1814117,,213,1450,0,2,11,7,52,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"NAPHTHALENESULFONIC ACID, 5-[[2,4-DIHYDROXY-5-[[4-[(4-NITRO-2-SULFOPHENYL)AMIN",072496-92-5,25047351,"trisodium;5-[[2,4-dihydroxy-5-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]phenyl]diazenyl]-8-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]naphthalene-1-sulfonate",C1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)[O-])N=NC3=CC=C(C=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-])N=NC5=C(C=C(C(=C5)N=NC6=CC=C(C=C6)NC7=C(C=C(C=C7)[N+](=O)[O-])S(=O)(=O)[O-])O)O.[Na+].[Na+].[Na+],"InChI=1S/C40H28N10O15S3.3Na/c51-35-21-36(52)34(20-33(35)47-44-25-10-6-23(7-11-25)42-31-15-13-27(50(55)56)19-39(31)68(63,64)65)48-45-29-16-17-32(40-28(29)2-1-3-37(40)66(57,58)59)46-43-24-8-4-22(5-9-24)41-30-14-12-26(49(53)54)18-38(30)67(60,61)62;;;/h1-21,41-42,51-52H,(H,57,58,59)(H,60,61,62)(H,63,64,65);;;/q;3*+1/p-3",VEDGYUBAJVJFKL-UHFFFAOYSA-K,C40H25N10Na3O15S3,1050.9,1050.035607,,427,2130,0,4,23,10,71,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"CHROMATE(5-), BIS[2,4-DIHYDROXY-5-[(2-HYDROXY-3-NITRO-5-SULFOPHENYL)AZO]BENZOA",074196-15-9,136072390,"pentasodium;chromium;bis(2,4-dihydroxy-5-[(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]benzoic acid)",C1=C(C=C(C(=C1N=NC2=C(C=C(C(=C2)C(=O)O)O)O)O)[N+](=O)[O-])S(=O)(=O)O.C1=C(C=C(C(=C1N=NC2=C(C=C(C(=C2)C(=O)O)O)O)O)[N+](=O)[O-])S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Cr],"InChI=1S/2C13H9N3O10S.Cr.5Na/c2*17-10-4-11(18)7(3-6(10)13(20)21)14-15-8-1-5(27(24,25)26)2-9(12(8)19)16(22)23;;;;;;/h2*1-4,17-19H,(H,20,21)(H,24,25,26);;;;;;/q;;;5*+1",JCZSCNBHUKHBBH-UHFFFAOYSA-N,C26H18CrN6Na5O20S2+5,965.5,964.89108,,463,1530,5,10,24,0,60,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"CHROMATE(2-), [2,4-DIHYDRO-4-[(2-HYDROXY-4-NITROPHENYL)AZO]-5-METHYL-3H-PYRAZO",075199-08-5,136192459,disodium;chromium;4-hydroxy-3-[[5-hydroxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid;4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methyl-3H-pyrazol-5-ol,CC1C(=C(N=N1)O)N=NC2=C(C=C(C=C2)[N+](=O)[O-])O.CC1=CC=C(C=C1)N2C(=C(C(=N2)C)N=NC3=C(C(=CC(=C3)S(=O)(=O)O)[N+](=O)[O-])O)O.[Na+].[Na+].[Cr],"InChI=1S/C17H15N5O7S.C10H9N5O4.Cr.2Na/c1-9-3-5-11(6-4-9)21-17(24)15(10(2)20-21)19-18-13-7-12(30(27,28)29)8-14(16(13)23)22(25)26;1-5-9(10(17)14-11-5)13-12-7-3-2-6(15(18)19)4-8(7)16;;;/h3-8,23-24H,1-2H3,(H,27,28,29);2-5,16-17H,1H3;;;/q;;;2*+1",WEVFEBALRVEAOV-UHFFFAOYSA-N,C27H24CrN10Na2O11S+2,794.6,794.054716,,327,1410,2,5,18,1,52,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 3-HYDROXY-4-[[4-[[4-[(2-HYDROXY-6-SULFO-1-NAPH",085030-31-5,163438,"trisodium;3-hydroxy-4-[[4-[[4-[(2-hydroxy-6-sulfonatonaphthalen-1-yl)diazenyl]-2-methylphenyl]methyl]-3-methylphenyl]diazenyl]naphthalene-2,7-disulfonate",CC1=C(C=CC(=C1)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])O)CC4=C(C=C(C=C4)N=NC5=C6C=CC(=CC6=CC(=C5O)S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+].[Na+],"InChI=1S/C35H28N4O11S3.3Na/c1-19-13-25(36-38-33-29-10-8-27(51(42,43)44)16-23(29)5-12-31(33)40)6-3-21(19)15-22-4-7-26(14-20(22)2)37-39-34-30-11-9-28(52(45,46)47)17-24(30)18-32(35(34)41)53(48,49)50;;;/h3-14,16-18,40-41H,15H2,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3",JCQYJQCWKAQBPK-UHFFFAOYSA-K,C35H25N4Na3O11S3,842.8,842.037504,,287,1620,0,2,15,6,56,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ZINC ALKARYL DITHIOPHOSPHATE,011059-65-7,22833431,"zinc bis(bis[4-(2,4-dimethyl-3-propylheptyl)phenoxy]-sulfanylidene-sulfido-lambda5-phosphane)",CCCC(C)C(CCC)C(C)CC1=CC=C(C=C1)OP(=S)(OC2=CC=C(C=C2)CC(C)C(CCC)C(C)CCC)[S-].CCCC(C)C(CCC)C(C)CC1=CC=C(C=C1)OP(=S)(OC2=CC=C(C=C2)CC(C)C(CCC)C(C)CCC)[S-].[Zn+2],"InChI=1S/2C36H59O2PS2.Zn/c2*1-9-13-27(5)35(15-11-3)29(7)25-31-17-21-33(22-18-31)37-39(40,41)38-34-23-19-32(20-24-34)26-30(8)36(16-12-4)28(6)14-10-2;/h2*17-24,27-30,35-36H,9-16,25-26H2,1-8H3,(H,40,41);/q;;+2/p-2",JVQCNSRVEPWJNL-UHFFFAOYSA-L,C72H116O4P2S4Zn,1301.3,1298.652313,,103,652,0,0,8,40,83,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((2-(2-amino-4-thiazo",097519-39-6,5282242,"(6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",C1C=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=C\CC(=O)O)/C3=CSC(=N3)N)C(=O)O,"InChI=1S/C15H14N4O6S2/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25)/b6-1-/t10-,13-/m1/s1",UNJFKXSSGBWRBZ-BJCIPQKHSA-N,C15H14N4O6S2,410.4,410.0354765,-0.3,216,755,0,4,10,6,27,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
ADENOSINE 2':3'-CYCLIC MONOPHOSPHATE SODIUM,037063-35-7,23666344,"sodium [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-oxido-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol",C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)[O-])N.[Na+],"InChI=1S/C10H12N5O6P.Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7;/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13);/q;+1/p-1/t4-,6-,7-,10-;/m1./s1",VSDSIACSNXHGOV-MCDZGGTQSA-M,C10H11N5NaO6P,351.19,351.0344644,,158,504,0,2,10,2,23,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"12H-DIBENZO[D,G][1,3,2]DIOXAPHOSPHOCIN, 2,4,8,10-TETRAKIS(1,1-DIMETHYLETHYL)-6",085209-91-2,23674278,"sodium 1,3,7,9-tetratert-butyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide",CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OP(=O)(OC3=C(C2)C=C(C=C3C(C)(C)C)C(C)(C)C)[O-].[Na+],"InChI=1S/C29H43O4P.Na/c1-26(2,3)20-14-18-13-19-15-21(27(4,5)6)17-23(29(10,11)12)25(19)33-34(30,31)32-24(18)22(16-20)28(7,8)9;/h14-17H,13H2,1-12H3,(H,30,31);/q;+1/p-1",ZHROMWXOTYBIMF-UHFFFAOYSA-M,C29H42NaO4P,508.6,508.2718411,,58.6,710,0,0,4,4,35,,,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-Cyclopropanedicarboximide, N-(3,5-dichlorophenyl)-1,2-dimethyl-",032809-16-8,36242,"3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione",CC12CC1(C(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)C,"InChI=1S/C13H11Cl2NO2/c1-12-6-13(12,2)11(18)16(10(12)17)9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3",QXJKBPAVAHBARF-UHFFFAOYSA-N,C13H11Cl2NO2,284.13,283.016684,3,37.4,405,0,0,2,1,18,,,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CELLULASE,009012-54-8,440950,"(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O,"InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16-,17+,18+/m1/s1",FYGDTMLNYKFZSV-CSHPIKHBSA-N,C18H32O16,504.4,504.1690349,-6.9,269,641,0,11,16,7,34,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
GLUCOSE ISOMERASE,009055-00-9,1151718,[4-(benzenesulfonyl)piperazin-1-yl]-(2-chlorophenyl)methanone,C1CN(CCN1C(=O)C2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC=C3,"InChI=1S/C17H17ClN2O3S/c18-16-9-5-4-8-15(16)17(21)19-10-12-20(13-11-19)24(22,23)14-6-2-1-3-7-14/h1-9H,10-13H2",WNQJZQMIEZWFIN-UHFFFAOYSA-N,C17H17ClN2O3S,364.8,364.0648413,2.6,66.1,535,0,0,4,3,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"MUTANOLYSIN, FROM STREPTOMYCES GLOBISPORUS ATCC 21553",055466-22-3,162340253,4-amino-1-[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]pyrrolidin-2-one;dihydrochloride,C1C2C1CN(C2)CC3=CC=C(C=C3)N4CC(CC4=O)N.Cl.Cl,"InChI=1S/C16H21N3O.2ClH/c17-14-6-16(20)19(10-14)15-3-1-11(2-4-15)7-18-8-12-5-13(12)9-18;;/h1-4,12-14H,5-10,17H2;2*1H",IECZOTCKMAXUGU-UHFFFAOYSA-N,C16H23Cl2N3O,344.3,343.1218178,,49.6,381,0,3,3,3,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
DEXTRANASE,009025-70-1,167312536,"N'-[1-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-3-(4-phenylphenyl)prop-1-enyl]-4-[9-[6-methyl-5-(2-methylphenyl)cyclohexa-1,5-dien-1-yl]carbazol-3-yl]carbazole-9-carboximidamide",CC1=CC=CC=C1C2=C(C(=CCC2)N3C4=C(C=C(C=C4)C5=C6C7=CC=CC=C7N(C6=CC=C5)C(=NC(=CCC8=CC=C(C=C8)C9=CC=CC=C9)C1=CCC(C=C1)C1=CCCC=C1)N)C1=CC=CC=C13)C,"InChI=1S/C66H56N4/c1-44-17-9-10-22-53(44)54-25-15-29-60(45(54)2)69-61-27-13-11-23-56(61)58-43-52(40-42-63(58)69)55-26-16-30-64-65(55)57-24-12-14-28-62(57)70(64)66(67)68-59(51-38-36-50(37-39-51)48-20-7-4-8-21-48)41-33-46-31-34-49(35-32-46)47-18-5-3-6-19-47/h3,5-7,9-14,16-24,26-32,34-36,38-43,50H,4,8,15,25,33,37H2,1-2H3,(H2,67,68)",IYKSBVLUZFFSST-UHFFFAOYSA-N,C66H56N4,905.2,904.4504978,15.6,48.2,2100,0,1,1,10,70,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
3ALPHA-HYDROXY STEROID DEHYDROGENASE,009028-56-2,168009917,,C1CCC2(CC1)C3=CC4C=C5C(=CC4C=C3C6=C2C=C(S6)C=C7C8=CC=CC=C8C(=O)C7=O)C9(CCCCC9)C1=C5SC(=C1)C=C1C2=CC=CC=C2C(=O)C1=O,"InChI=1S/C50H38O4S2/c51-43-33-13-5-3-11-31(33)35(45(43)53)23-29-25-41-47(55-29)37-19-28-22-40-38(20-27(28)21-39(37)49(41)15-7-1-8-16-49)48-42(50(40)17-9-2-10-18-50)26-30(56-48)24-36-32-12-4-6-14-34(32)44(52)46(36)54/h3-6,11-14,19-28H,1-2,7-10,15-18H2",WZWONBSCKCYGIW-UHFFFAOYSA-N,C50H38O4S2,767,766.221152,10.9,125,1850,0,0,6,2,56,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
GLYCOPEPTIDASE F,083534-39-8,167676231,"6-(2,6-dioxopiperidin-3-yl)-3-methylpyrrolo[3,4-b]pyrazine-5,7-dione;6-(2,6-dioxopiperidin-3-yl)-3-methylpyrrolo[3,4-b]pyridine-5,7-dione;3-(4-fluoro-3-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;3-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyrazin-6-yl)piperidine-2,6-dione;3-(3-methyl-7-oxo-5H-pyrrolo[3,4-b]pyrazin-6-yl)piperidine-2,6-dione;3-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;3-(3-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;3-(2-methyl-5-oxo-7H-pyrrolo[3,4-d]pyrimidin-6-yl)piperidine-2,6-dione",CC1=CC2=C(C(=O)N(C2)C3CCC(=O)NC3=O)N=C1.CC1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)N=C1.CC1=CC2=C(C(=O)N(C2=O)C3CCC(=O)NC3=O)N=C1.CC1=CN=C2C(=C1F)CN(C2=O)C3CCC(=O)NC3=O.CC1=CN=C2CN(C(=O)C2=N1)C3CCC(=O)NC3=O.CC1=CN=C2C(=N1)CN(C2=O)C3CCC(=O)NC3=O.CC1=CN=C2C(=N1)C(=O)N(C2=O)C3CCC(=O)NC3=O.CC1=NC=C2C(=N1)CN(C2=O)C3CCC(=O)NC3=O,"InChI=1S/C13H12FN3O3.C13H11N3O4.2C13H13N3O3.C12H10N4O4.3C12H12N4O3/c1-6-4-15-11-7(10(6)14)5-17(13(11)20)8-2-3-9(18)16-12(8)19;1-6-4-7-10(14-5-6)13(20)16(12(7)19)8-2-3-9(17)15-11(8)18;1-7-4-8-9(14-5-7)6-16(13(8)19)10-2-3-11(17)15-12(10)18;1-7-4-8-6-16(13(19)11(8)14-5-7)9-2-3-10(17)15-12(9)18;1-5-4-13-8-9(14-5)12(20)16(11(8)19)6-2-3-7(17)15-10(6)18;1-6-13-4-7-8(14-6)5-16(12(7)19)9-2-3-10(17)15-11(9)18;1-6-4-13-10-7(14-6)5-16(12(10)19)8-2-3-9(17)15-11(8)18;1-6-4-13-7-5-16(12(19)10(7)14-6)8-2-3-9(17)15-11(8)18/h4,8H,2-3,5H2,1H3,(H,16,18,19);4-5,8H,2-3H2,1H3,(H,15,17,18);4-5,10H,2-3,6H2,1H3,(H,15,17,18);4-5,9H,2-3,6H2,1H3,(H,15,17,18);4,6H,2-3H2,1H3,(H,15,17,18);4,9H,2-3,5H2,1H3,(H,15,17,18);2*4,8H,2-3,5H2,1H3,(H,15,17,18)",UVVLNLNAGIIHGJ-UHFFFAOYSA-N,C100H95FN28O26,2124,2123.698988,,721,3670,0,8,39,8,155,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
DRISELASE BASIDIOMYCETES SP.,085186-71-6,168010183,"2-[4,16-bis(benzenesulfonyl)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-11-methyltetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione",CC(=CCCC(=CCCC(=CCC(C(=CCCC(=CCCC(=CCC(C(=CCC12C3CC(C1(C(=O)C4=CC=CC=C4C2=O)C)C=C3)C)S(=O)(=O)C5=CC=CC=C5)C)C)C)S(=O)(=O)C6=CC=CC=C6)C)C)C,"InChI=1S/C63H78O6S2/c1-45(2)22-18-23-46(3)24-19-26-48(5)36-40-58(70(66,67)54-30-12-10-13-31-54)50(7)29-21-28-47(4)25-20-27-49(6)37-41-59(71(68,69)55-32-14-11-15-33-55)51(8)42-43-63-53-39-38-52(44-53)62(63,9)60(64)56-34-16-17-35-57(56)61(63)65/h10-17,22,24-25,29-39,42,52-53,58-59H,18-21,23,26-28,40-41,43-44H2,1-9H3",DCOQAGJHKBSTAY-UHFFFAOYSA-N,C63H78O6S2,995.4,994.5239826,16.5,119,2340,0,0,6,24,71,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"NICKEL(II) 5,9,14,18,23,27,32,36-OCTABUTOXY-2,3-NAPHTHALOCYANINE",155773-70-9,16133043,"nickel(2+);5,12,18,25,31,38,44,51-octabutoxy-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene",CCCCOC1=C2C=CC=CC2=C(C3=C4[N-]C(=C31)N=C5C6=C(C7=CC=CC=C7C(=C6C(=N5)N=C8C9=C(C1=CC=CC=C1C(=C9C(=NC1=NC(=N4)C2=C(C3=CC=CC=C3C(=C21)OCCCC)OCCCC)[N-]8)OCCCC)OCCCC)OCCCC)OCCCC)OCCCC.[Ni+2],"InChI=1S/C80H88N8O8.Ni/c1-9-17-41-89-65-49-33-25-26-34-50(49)66(90-42-18-10-2)58-57(65)73-81-74(58)86-76-61-62(70(94-46-22-14-6)54-38-30-29-37-53(54)69(61)93-45-21-13-5)78(83-76)88-80-64-63(71(95-47-23-15-7)55-39-31-32-40-56(55)72(64)96-48-24-16-8)79(84-80)87-77-60-59(75(82-77)85-73)67(91-43-19-11-3)51-35-27-28-36-52(51)68(60)92-44-20-12-4;/h25-40H,9-24,41-48H2,1-8H3;/q-2;+2",ZRFVVSDVYUSJMJ-UHFFFAOYSA-N,C80H88N8NiO8,1348.3,1346.607853,,150,2330,0,0,12,32,97,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"Glycine, N-carboxy-, N-benzyl ester, p-nitrophenyl ester",001738-86-9,15616,(4-nitrophenyl) 2-(phenylmethoxycarbonylamino)acetate,C1=CC=C(C=C1)COC(=O)NCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C16H14N2O6/c19-15(24-14-8-6-13(7-9-14)18(21)22)10-17-16(20)23-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,20)",LHFNPUGRSYOPLF-UHFFFAOYSA-N,C16H14N2O6,330.29,330.0851862,2.7,110,436,0,1,6,7,24,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"DEHYDROGENASE, GLYCEROL PHOSPHATE",009075-65-4,168266245,"7-[1-[4-[6-[3-(4-amino-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]hexyl-methylamino]but-2-enoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[1-[4-[2-[2-[2-[2-[3-(7-amino-3-oxo-1H-isoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl-methylamino]but-2-enoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[1-[4-[6-[3-(7-amino-3-oxo-1H-isoindol-2-yl)-2,6-dioxopiperidin-1-yl]hexyl-methylamino]but-2-enoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[1-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl-methylamino]prop-2-enoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide",CN(CCCCCCN1C(=O)CCC(C1=O)N2CC3=C(C2=O)C=CC=C3N)CC=CC(=O)N4CCC(CC4)C5CCNC6=C(C(=NN56)C7=CC=C(C=C7)OC8=CC=CC=C8)C(=O)N.CN(CCCCCCN1C(=O)CCC(C1=O)N2C(=O)C3=C(C2=O)C(=CC=C3)N)CC=CC(=O)N4CCC(CC4)C5CCNC6=C(C(=NN56)C7=CC=C(C=C7)OC8=CC=CC=C8)C(=O)N.CN(CCOCCOCCOCCN1C(=O)CCC(C1=O)N2CC3=C(C2=O)C=CC=C3N)CC=CC(=O)N4CCC(CC4)C5CCNC6=C(C(=NN56)C7=CC=C(C=C7)OC8=CC=CC=C8)C(=O)N.CN(CCNC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O)C=CC(=O)N4CCC(CC4)C5CCNC6=C(C(=NN56)C7=CC=C(C=C7)OC8=CC=CC=C8)C(=O)N,"InChI=1S/C50H61N9O9.C48H55N9O7.C48H57N9O6.C43H45N9O7/c1-55(25-27-65-29-31-67-32-30-66-28-26-57-44(61)17-16-42(50(57)64)58-33-39-38(49(58)63)9-5-10-40(39)51)22-6-11-43(60)56-23-19-34(20-24-56)41-18-21-53-48-45(47(52)62)46(54-59(41)48)35-12-14-37(15-13-35)68-36-7-3-2-4-8-36;1-53(26-7-2-3-8-28-55-40(59)21-20-38(47(55)62)56-46(61)35-13-9-14-36(49)41(35)48(56)63)27-10-15-39(58)54-29-23-31(24-30-54)37-22-25-51-45-42(44(50)60)43(52-57(37)45)32-16-18-34(19-17-32)64-33-11-5-4-6-12-33;1-53(26-7-2-3-8-28-55-42(59)21-20-40(48(55)62)56-31-37-36(47(56)61)13-9-14-38(37)49)27-10-15-41(58)54-29-23-32(24-30-54)39-22-25-51-46-43(45(50)60)44(52-57(39)46)33-16-18-35(19-17-33)63-34-11-5-4-6-12-34;1-49(25-21-45-31-9-5-8-30-36(31)43(58)51(42(30)57)33-14-15-34(53)47-41(33)56)22-19-35(54)50-23-17-26(18-24-50)32-16-20-46-40-37(39(44)55)38(48-52(32)40)27-10-12-29(13-11-27)59-28-6-3-2-4-7-28/h2-15,34,41-42,53H,16-33,51H2,1H3,(H2,52,62);4-6,9-19,31,37-38,51H,2-3,7-8,20-30,49H2,1H3,(H2,50,60);4-6,9-19,32,39-40,51H,2-3,7-8,20-31,49H2,1H3,(H2,50,60);2-13,19,22,26,32-33,45-46H,14-18,20-21,23-25H2,1H3,(H2,44,55)(H,47,53,56)",DJCUYIKKKRVJKE-UHFFFAOYSA-N,C189H218N36O29,3458,3457.675755,,814,6660,0,13,45,65,254,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"ENDO-1,4-.BETA.-MANNANASE",037288-54-3,168009913,15-ethyl-1-oxacyclopentadec-10-en-2-one;16-methyl-1-oxacyclohexadec-10-en-2-one;14-propyl-1-oxacyclotetradec-10-en-2-one,CCCC1CCC=CCCCCCCCC(=O)O1.CCC1CCCC=CCCCCCCCC(=O)O1.CC1CCCCC=CCCCCCCCC(=O)O1,"InChI=1S/3C16H28O2/c1-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(17)18-15;1-2-15-13-11-9-7-5-3-4-6-8-10-12-14-16(17)18-15;1-2-12-15-13-10-8-6-4-3-5-7-9-11-14-16(17)18-15/h3,5,15H,2,4,6-14H2,1H3;5,7,15H,2-4,6,8-14H2,1H3;6,8,15H,2-5,7,9-14H2,1H3",YVLRMFRJNUXZQR-UHFFFAOYSA-N,C48H84O6,757.2,756.6267904,,78.9,736,0,0,6,3,54,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"GLUCANASE, ENDO-1,3(4)-.BETA.-",062213-14-3,157461115,"N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide;N-(1-azabicyclo[2.2.2]octan-3-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide;N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide",COC1=C(C=C(C=C1)C=CC(=O)NC2CN3CCC2CC3)OC.COC1=CC(=CC(=C1OC)OC)C=CC(=O)NC2CN3CCC2CC3.C1CN2CCC1C(C2)NC(=O)C=CC3=CC(=CC=C3)C(F)(F)F,"InChI=1S/C19H26N2O4.C18H24N2O3.C17H19F3N2O/c1-23-16-10-13(11-17(24-2)19(16)25-3)4-5-18(22)20-15-12-21-8-6-14(15)7-9-21;1-22-16-5-3-13(11-17(16)23-2)4-6-18(21)19-15-12-20-9-7-14(15)8-10-20;18-17(19,20)14-3-1-2-12(10-14)4-5-16(23)21-15-11-22-8-6-13(15)7-9-22/h4-5,10-11,14-15H,6-9,12H2,1-3H3,(H,20,22);3-6,11,14-15H,7-10,12H2,1-2H3,(H,19,21);1-5,10,13,15H,6-9,11H2,(H,21,23)",BTXVKVBZZATISP-UHFFFAOYSA-N,C54H69F3N6O8,987.2,986.5128977,,143,1350,0,3,14,14,71,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"1,3,6-NAPHTHALENETRISULFONIC ACID, 7-[[2-[(AMINOCARBONYL)AMINO]-4-[[4-CHLORO-6",080157-00-2,157317,"tetrasodium;7-[[2-(carbamoylamino)-4-[[4-chloro-6-[3-(2-sulfonatooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonate",C1=CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)[O-])NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)N=NC4=CC5=C(C=C(C=C5C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)N.[Na+].[Na+].[Na+].[Na+],"InChI=1S/C28H24ClN9O16S5.4Na/c29-25-34-27(31-15-2-1-3-17(10-15)55(40,41)7-6-54-59(51,52)53)36-28(35-25)32-16-4-5-20(21(11-16)33-26(30)39)37-38-22-13-19-14(9-24(22)58(48,49)50)8-18(56(42,43)44)12-23(19)57(45,46)47;;;;/h1-5,8-13H,6-7H2,(H3,30,33,39)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H2,31,32,34,35,36);;;;/q;4*+1/p-4",UIEBGVDTKLYGTN-UHFFFAOYSA-J,C28H20ClN9Na4O16S5,1026.3,1024.891086,,457,2020,0,4,23,11,63,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
N-(ADAMANTAN-1-YL)-1-(4-FLUOROBENZYL)-1H-INDAZOLE-3-CARBOXAMIDE,2180933-90-6,118796517,N-(1-adamantyl)-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide,C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NN(C5=CC=CC=C54)CC6=CC=C(C=C6)F,"InChI=1S/C25H26FN3O/c26-20-7-5-16(6-8-20)15-29-22-4-2-1-3-21(22)23(28-29)24(30)27-25-12-17-9-18(13-25)11-19(10-17)14-25/h1-8,17-19H,9-15H2,(H,27,30)",MWBHSNBPUSKVDD-UHFFFAOYSA-N,C25H26FN3O,403.5,403.2059906,5.6,46.9,619,0,1,3,4,30,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
THIAZOL YELLOW G,001829-00-1,156592428,,CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NN=NC4=CC=C(C=C4)C5=NC6=C(S5)C(=C(C=C6)C)S(=O)(=O)O)S(=O)(=O)O.[Na],"InChI=1S/C28H21N5O6S4.Na/c1-15-3-13-21-23(25(15)42(34,35)36)40-27(29-21)17-5-9-19(10-6-17)31-33-32-20-11-7-18(8-12-20)28-30-22-14-4-16(2)26(24(22)41-28)43(37,38)39;/h3-14H,1-2H3,(H,31,32)(H,34,35,36)(H,37,38,39);",IUHWSFJADUMIGG-UHFFFAOYSA-N,C28H21N5NaO6S4,674.8,674.0272374,,245,1210,0,3,13,7,44,,,0,0,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,1
BISAZOBIPHENYL DYE,002586-57-4,75752,disodium;1-amino-7-[[4-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-sulfinatonaphthalene-2-sulfonate,COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=CC4=CC=CC=C43)O)OC)N=NC5=CC6=C(C=C5)C(=CC(=C6N)S(=O)(=O)[O-])S(=O)[O-].[Na+].[Na+],"InChI=1S/C34H27N5O8S2.2Na/c1-46-29-15-20(21-8-13-27(30(16-21)47-2)38-39-34-23-6-4-3-5-19(23)9-14-28(34)40)7-12-26(29)37-36-22-10-11-24-25(17-22)33(35)32(49(43,44)45)18-31(24)48(41)42;;/h3-18,40H,35H2,1-2H3,(H,41,42)(H,43,44,45);;/q;2*+1/p-2",LRGRYCBPXHHUAU-UHFFFAOYSA-L,C34H25N5Na2O8S2,741.7,741.0939937,,239,1280,0,2,14,7,51,,,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
PYRONINE Y,000092-32-0,7085,[6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium chloride,CN(C)C1=CC2=C(C=C1)C=C3C=CC(=[N+](C)C)C=C3O2.[Cl-],"InChI=1S/C17H19N2O.ClH/c1-18(2)14-7-5-12-9-13-6-8-15(19(3)4)11-17(13)20-16(12)10-14;/h5-11H,1-4H3;1H/q+1;/p-1",INCIMLINXXICKS-UHFFFAOYSA-M,C17H19ClN2O,302.8,302.1185909,,15.5,480,0,0,3,1,21,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
SUDAN BLACK B,004197-25-5,61336,"(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene",CC1(NC2=C3C(=C(C=C2)N=NC4=CC=C(C5=CC=CC=C54)N=NC6=CC=CC=C6)C=CC=C3N1)C,"InChI=1S/C29H24N6/c1-29(2)30-26-14-8-13-22-25(17-18-27(31-29)28(22)26)35-34-24-16-15-23(20-11-6-7-12-21(20)24)33-32-19-9-4-3-5-10-19/h3-18,30-31H,1-2H3",YCUVUDODLRLVIC-UHFFFAOYSA-N,C29H24N6,456.5,456.2062448,8.4,73.5,773,0,2,6,4,35,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
METHYL-(5-(2-THIENYLCARBONYL)-1H-BENZIMIDAZOL-2-YL) CARBAMATE,031430-18-9,4122,methyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate,COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CS3,"InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)",KYRVNWMVYQXFEU-UHFFFAOYSA-N,C14H11N3O3S,301.32,301.0521124,2.8,112,420,0,2,5,4,21,,,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0
BERZOSERTIB,1232416-25-9,59472121,"3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine",CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N,"InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27)",JZCWLJDSIRUGIN-UHFFFAOYSA-N,C24H25N5O3S,463.6,463.1678109,2.3,132,714,0,2,8,7,33,,,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"Hydantoin, 1-((5-(p-nitrophenyl)furfurylidene)amino)-, sodium salt",014663-23-1,6604100,sodium 3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-oxo-4H-imidazol-5-olate,C1C(=NC(=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[O-].[Na+],"InChI=1S/C14H10N4O5.Na/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22;/h1-7H,8H2,(H,16,19,20);/q;+1/p-1/b15-7+;",KSRLIXGNPXAZHD-HAZZGOGXSA-M,C14H9N4NaO5,336.23,336.0470637,,127,536,0,0,6,3,24,,,0,0,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"1,1,2,2-TETRA(P-HYDROXYPHENYL)ETHANE TETRAGLYCIDYL ETHER",007328-97-4,62630,"2-[[4-[1,2,2-tris[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane",C1C(O1)COC2=CC=C(C=C2)C(C3=CC=C(C=C3)OCC4CO4)C(C5=CC=C(C=C5)OCC6CO6)C7=CC=C(C=C7)OCC8CO8,"InChI=1S/C38H38O8/c1-9-29(39-17-33-21-43-33)10-2-25(1)37(26-3-11-30(12-4-26)40-18-34-22-44-34)38(27-5-13-31(14-6-27)41-19-35-23-45-35)28-7-15-32(16-8-28)42-20-36-24-46-36/h1-16,33-38H,17-24H2",HDDQXUDCEIMISH-UHFFFAOYSA-N,C38H38O8,622.7,622.2566682,5.7,87,772,0,0,8,17,46,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"DIBENZO[A,I]PYRENE",000189-55-9,9106,"hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18,20(24),21-dodecaene",C1=CC=C2C3=C4C(=CC2=C1)C=CC5=CC6=CC=CC=C6C(=C54)C=C3,InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-10-18-14-16-6-2-4-8-20(16)22-12-11-21(19)23(17)24(18)22/h1-14H,TUGYIJVAYAHHHM-UHFFFAOYSA-N,C24H14,302.4,302.1095504,7.3,0,436,0,0,0,0,24,,BP: 275 °C at 0.05 mm Hg,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"DIBENZ[A,J]ACRIDINE",000224-42-0,9177,"13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene",C1=CC=C2C(=C1)C=CC3=NC4=C(C=C32)C5=CC=CC=C5C=C4,InChI=1S/C21H13N/c1-3-7-16-14(5-1)9-11-20-18(16)13-19-17-8-4-2-6-15(17)10-12-21(19)22-20/h1-13H,ANUCHZVCBDOPOX-UHFFFAOYSA-N,C21H13N,279.3,279.1047994,6,12.9,369,0,0,1,0,22,,,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
N-ALPHA-BENZOYL-DL-ARGININE BETA-NAPHTHYLAMIDE HYDROCHLORIDE,000913-04-2,102503,N-[5-(diaminomethylideneamino)-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]benzamide;hydrochloride,C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC3=CC=CC=C3C=C2.Cl,"InChI=1S/C23H25N5O2.ClH/c24-23(25)26-14-6-11-20(28-21(29)17-8-2-1-3-9-17)22(30)27-19-13-12-16-7-4-5-10-18(16)15-19;/h1-5,7-10,12-13,15,20H,6,11,14H2,(H,27,30)(H,28,29)(H4,24,25,26);1H",BNGRKDJZQIGWQF-UHFFFAOYSA-N,C23H26ClN5O2,439.9,439.1775028,,123,598,0,5,3,8,31,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZO(E)PYRENE,000192-97-2,9128,benzo[e]pyrene,C1=CC=C2C(=C1)C3=CC=CC4=C3C5=C(C=CC=C25)C=C4,InChI=1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H,TXVHTIQJNYSSKO-UHFFFAOYSA-N,C20H12,252.3,252.0939004,6.4,0,336,0,0,0,0,20,,"918 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
AROCLOR 1262,037324-23-5,159643871,"5-(4-acetylphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[(4-tert-butylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[(4-cyclohexylphenyl)-hydroxymethylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-pyridin-4-ylpyrrolidine-2,3-dione;4-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione",CC1=NN=C(C=C1)N2C(C(=C(C3=CC=C(C=C3)C(C)C)O)C(=O)C2=O)C4=CC=C(C=C4)C(=O)C.CC1=NN=C(C=C1)N2C(C(=C(C3=CC=C(C=C3)C4CCCCC4)O)C(=O)C2=O)C5=CC=C(C=C5)OC(F)(F)F.CC1=NN=C(C=C1)N2C(C(=C(C3=CC=C(C=C3)C(C)(C)C)O)C(=O)C2=O)C4=CC=C(C=C4)OC(F)(F)F.CC1=NN=C(C=C1)N2C(C(=C(C3=CC=C(C=C3)C(C)C)O)C(=O)C2=O)C4=CC=NC=C4.CC1=NN=C(C=C1)N2C(C(=C(C3=CN=C(C=C3)C(F)(F)F)O)C(=O)C2=O)C4=CC=C(C=C4)OC(F)(F)F,"InChI=1S/C29H26F3N3O4.C27H24F3N3O4.C27H25N3O4.C24H22N4O3.C23H14F6N4O4/c1-17-7-16-23(34-33-17)35-25(20-12-14-22(15-13-20)39-29(30,31)32)24(27(37)28(35)38)26(36)21-10-8-19(9-11-21)18-5-3-2-4-6-18;1-15-5-14-20(32-31-15)33-22(16-8-12-19(13-9-16)37-27(28,29)30)21(24(35)25(33)36)23(34)17-6-10-18(11-7-17)26(2,3)4;1-15(2)18-6-12-21(13-7-18)25(32)23-24(20-10-8-19(9-11-20)17(4)31)30(27(34)26(23)33)22-14-5-16(3)28-29-22;1-14(2)16-5-7-18(8-6-16)22(29)20-21(17-10-12-25-13-11-17)28(24(31)23(20)30)19-9-4-15(3)26-27-19;1-11-2-9-16(32-31-11)33-18(12-3-6-14(7-4-12)37-23(27,28)29)17(20(35)21(33)36)19(34)13-5-8-15(30-10-13)22(24,25)26/h7-16,18,25,36H,2-6H2,1H3;5-14,22,34H,1-4H3;5-15,24,32H,1-4H3;4-14,21,29H,1-3H3;2-10,18,34H,1H3",KXDFVYDRSWURND-UHFFFAOYSA-N,C130H111F12N17O19,2443.3,2442.808407,,487,4240,0,5,43,23,178,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1,0
N-BENZOYL-DL-PHENYLALANINE B-NAPHTHYLAMIDE,100900-32-1,588625,N-[1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide,C1=CC=C(C=C1)CC(C(=O)NC2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC=C4,"InChI=1S/C26H22N2O2/c29-25(21-12-5-2-6-13-21)28-24(17-19-9-3-1-4-10-19)26(30)27-23-16-15-20-11-7-8-14-22(20)18-23/h1-16,18,24H,17H2,(H,27,30)(H,28,29)",UYXGHMPRWWMUID-UHFFFAOYSA-N,C26H22N2O2,394.5,394.1681279,5.3,58.2,565,0,2,2,6,30,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Morpholine, 4-((morpholinothiocarbonyl)thio)-",013752-51-7,83700,morpholin-4-yl morpholine-4-carbodithioate,C1COCCN1C(=S)SN2CCOCC2,InChI=1S/C9H16N2O2S2/c14-9(10-1-5-12-6-2-10)15-11-3-7-13-8-4-11/h1-8H2,HOEFWOBLOGZQIQ-UHFFFAOYSA-N,C9H16N2O2S2,248.4,248.0653201,0.3,82.3,216,0,0,5,2,15,,,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TENIPOSIDE,029767-20-2,452548,"(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O,"InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1",NRUKOCRGYNPUPR-QBPJDGROSA-N,C32H32O13S,656.7,656.1563622,1.2,189,1090,0,3,14,6,46,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZO(K)FLUORANTHENE,000207-08-9,9158,benzo[k]fluoranthene,C1=CC=C2C=C3C4=CC=CC5=C4C(=CC=C5)C3=CC2=C1,InChI=1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H,HAXBIWFMXWRORI-UHFFFAOYSA-N,C20H12,252.3,252.0939004,6.4,0,338,0,0,0,0,20,,"896 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZO(J)FLUORANTHENE,000205-82-3,9152,"pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12,14,16(20),17-decaene",C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC5=C4C3=CC=C5,InChI=1S/C20H12/c1-2-8-15-13(5-1)11-12-17-16-9-3-6-14-7-4-10-18(19(14)16)20(15)17/h1-12H,KHNYNFUTFKJLDD-UHFFFAOYSA-N,C20H12,252.3,252.0939004,6.4,0,372,0,0,0,0,20,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,16-ANDROSTADIEN-3-ONE",004075-07-4,92979,"(8S,9S,10R,13R,14S)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one",C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CCC4=CC(=O)CC[C@]34C,"InChI=1S/C19H26O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,12,15-17H,4-8,10-11H2,1-2H3/t15-,16-,17-,18-,19-/m0/s1",HNDHDMOSWUAEAW-VMXHOPILSA-N,C19H26O,270.4,270.1983654,4.5,17.1,514,0,0,1,0,20,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
4-[4-[[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]CARBAMOYLAMINO]PHENOXY-N-METHYLPYRIDINE-2-CARBOXAMIDE,284461-73-0,216239,4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide,CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F,"InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)",MLDQJTXFUGDVEO-UHFFFAOYSA-N,C21H16ClF3N4O3,464.8,464.0863026,4.1,92.4,646,0,3,7,5,32,,,1,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
ESTRADIOL 3-BENZOATE,000050-50-0,222757,"[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5,"InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1",UYIFTLBWAOGQBI-BZDYCCQFSA-N,C25H28O3,376.5,376.2038448,4.5,46.5,582,0,1,3,3,28,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-11-methylene-, (17-alph",054048-10-1,6917715,"(8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-11-methylidene-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one",CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34,"InChI=1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1",GCKFUYQCUCGESZ-BPIQYHPVSA-N,C22H28O2,324.5,324.2089301,3.3,37.3,677,0,1,2,2,24,,473.1ºC at 760 mmHg,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"18,19-Dinorpregna-4,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-, (17-alpha)-",060282-87-3,3033968,"(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one",CC[C@]12CC[C@H]3[C@H]([C@@H]1C=C[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34,"InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1",SIGSPDASOTUPFS-XUDSTZEESA-N,C21H26O2,310.4,310.1932801,2.9,37.3,648,0,1,2,2,23,,,1,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"5,10,15,20-TETRAKIS(4-METHOXYPHENYL)-21H,23H-PORPHINE COBALT(II)",028903-71-1,4009493,"cobalt(2+);5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,24-diide",COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C=C4)C9=CC=C(C=C9)OC)[N-]3.[Co+2],"InChI=1S/C48H36N4O4.Co/c1-53-33-13-5-29(6-14-33)45-37-21-23-39(49-37)46(30-7-15-34(54-2)16-8-30)41-25-27-43(51-41)48(32-11-19-36(56-4)20-12-32)44-28-26-42(52-44)47(40-24-22-38(45)50-40)31-9-17-35(55-3)18-10-31;/h5-28H,1-4H3;/q-2;+2",QBCIMRXPMLWVML-UHFFFAOYSA-N,C48H36CoN4O4,791.8,791.206849,,63.6,1530,0,0,8,8,57,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
ULTRACAT,2055540-61-7,167994787,"dichloro-(3-phenylinden-1-ylidene)ruthenium;bis(1-(2,6-diethylphenyl)-3,5,5-trimethyl-3-phenyl-2,4-dihydropyrrol-1-ium-2-ide)",CCC1=C(C(=CC=C1)CC)[N+]2=[C-]C(CC2(C)C)(C)C3=CC=CC=C3.CCC1=C(C(=CC=C1)CC)[N+]2=[C-]C(CC2(C)C)(C)C3=CC=CC=C3.C1=CC=C(C=C1)C2=CC(=[Ru](Cl)Cl)C3=CC=CC=C32,"InChI=1S/2C23H29N.C15H10.2ClH.Ru/c2*1-6-18-12-11-13-19(7-2)21(18)24-17-23(5,16-22(24,3)4)20-14-9-8-10-15-20;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;;;/h2*8-15H,6-7,16H2,1-5H3;1-9,11H;2*1H;/q;;;;;+2/p-2",ZANUCKOEQXDWRL-UHFFFAOYSA-L,C61H68Cl2N2Ru,1001.2,1000.380296,,6,821,0,0,2,9,66,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"2-AMINO-5-(5-NITRO-2-FURYL)-1,3,4-THIADIAZOLE",000712-68-5,61205,"5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-amine",C1=C(OC(=C1)[N+](=O)[O-])C2=NN=C(S2)N,"InChI=1S/C6H4N4O3S/c7-6-9-8-5(14-6)3-1-2-4(13-3)10(11)12/h1-2H,(H2,7,9)",SXZZHGJWUBJKHH-UHFFFAOYSA-N,C6H4N4O3S,212.19,212.0004112,0.9,139,236,0,1,7,1,14,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"19-Norpregn-4-ene-3,20-dione, 17-hydroxy-16-methylene-, acetate",007759-35-5,108059,"[(8R,9S,10R,13S,14S,17R)-17-acetyl-13-methyl-16-methylidene-3-oxo-2,6,7,8,9,10,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate",CC(=O)[C@]1(C(=C)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)OC(=O)C,"InChI=1S/C23H30O4/c1-13-11-21-20-7-5-16-12-17(26)6-8-18(16)19(20)9-10-22(21,4)23(13,14(2)24)27-15(3)25/h12,18-21H,1,5-11H2,2-4H3/t18-,19+,20+,21-,22-,23-/m0/s1",CKFBRGLGTWAVLG-GOMYTPFNSA-N,C23H30O4,370.5,370.2144094,2.9,60.4,762,0,0,4,3,27,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Pregn-11-ene-3,20-dione",026423-79-0,213490,"(8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",CC(=O)[C@H]1CC[C@@H]2[C@@]1(C=C[C@H]3[C@H]2CCC4[C@@]3(CCC(=O)C4)C)C,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h9,11,14,16-19H,4-8,10,12H2,1-3H3/t14?,16-,17+,18-,19-,20-,21+/m0/s1",ZQTJQOPWOKKYDC-CVHNGYJVSA-N,C21H30O2,314.5,314.2245802,4,34.1,576,0,0,2,1,23,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-BENZ[DE]ISOQUINOLINE-1,3(2H)-DIONE, 5-[(4-CHLOROPHENYL)AZO]-6-HYDROXY-2-(3-",042358-39-4,135666593,"5-[(4-chlorophenyl)diazenyl]-6-hydroxy-2-(3-methoxypropyl)benzo[de]isoquinoline-1,3-dione",COCCCN1C(=O)C2=CC=CC3=C2C(=CC(=C3O)N=NC4=CC=C(C=C4)Cl)C1=O,"InChI=1S/C22H18ClN3O4/c1-30-11-3-10-26-21(28)16-5-2-4-15-19(16)17(22(26)29)12-18(20(15)27)25-24-14-8-6-13(23)7-9-14/h2,4-9,12,27H,3,10-11H2,1H3",ABVXLHURFQNCLR-UHFFFAOYSA-N,C22H18ClN3O4,423.8,423.0985838,4.4,91.6,667,0,1,6,6,30,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2(1H)-QUINOLINONE, 4-HYDROXY-1-METHYL-3-[[4-(PHENYLAZO)PHENYL]AZO]-",073287-67-9,135623862,4-hydroxy-1-methyl-3-[(4-phenyldiazenylphenyl)diazenyl]quinolin-2-one,CN1C2=CC=CC=C2C(=C(C1=O)N=NC3=CC=C(C=C3)N=NC4=CC=CC=C4)O,"InChI=1S/C22H17N5O2/c1-27-19-10-6-5-9-18(19)21(28)20(22(27)29)26-25-17-13-11-16(12-14-17)24-23-15-7-3-2-4-8-15/h2-14,28H,1H3",DPCODSAZAZCDLC-UHFFFAOYSA-N,C22H17N5O2,383.4,383.1382248,4.6,90,675,0,1,6,4,29,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
LAMP BLACK,,172866199,,C1CSC2C3C1CC4=CC5=C6C7=C(C=C8C9=C7C1=C7C%10C%11C%12=C1C6=C4C3C%12=C1C2=CC2=C3C1=C%11C1=C4C%10=C6C%10=C7C9=C(C=C%10C(=O)C7=CC(=C9C=C%10C=C%11C=CC%12=C%13C%11=C(C%10=C4C9=C76)C1=C3C%13=C(O2)C=C%12)C(=O)O)C(=O)C8=O)OC5,"InChI=1S/C72H26O7S/c73-68-24-11-23(72(76)77)22-10-20-7-17-2-1-16-3-4-29-44-32(16)33(17)47-35(20)50-38(22)39(24)51-42-25(68)12-26-40-41-27(70(75)69(26)74)13-30-45-36-21(15-78-30)9-19-8-18-5-6-80-71-28-14-31(79-29)46-54-43(28)55-49(37(18)71)34(19)48(36)58-62(53(41)45)61(52(40)42)66-60(51)59(50)65(57(47)56(44)46)63(54)67(66)64(55)58/h1-4,7,9-14,18,37,49,66-67,71H,5-6,8,15H2,(H,76,77)",ZBGANAZYHMVKTA-UHFFFAOYSA-N,C72H26O7S,1035,1034.139924,14.9,132,3500,0,1,8,1,80,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"INDENO(1,2,3-CD)PYRENE",000193-39-5,9131,"hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2,4,6,8(21),9,11(20),12,14(19),15,17-undecaene",C1=CC=C2C(=C1)C3=C4C2=CC5=CC=CC6=C5C4=C(C=C6)C=C3,InChI=1S/C22H12/c1-2-7-17-16(6-1)18-11-10-14-9-8-13-4-3-5-15-12-19(17)22(18)21(14)20(13)15/h1-12H,SXQBHARYMNFBPS-UHFFFAOYSA-N,C22H12,276.3,276.0939004,7,0,453,0,0,0,0,22,,"997 °F at 760 mmHg (NTP, 1992)",0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
LUTEINIZING HORMONE RELEASING HORMONE SALMON,086073-88-3,16130967,(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide,CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8,"InChI=1S/C60H73N15O13/c1-32(2)20-47(60(88)75-19-7-12-49(75)59(87)65-28-50(61)78)73-55(83)44(22-34-25-63-40-10-5-3-8-38(34)40)69-52(80)29-66-53(81)43(21-33-13-15-37(77)16-14-33)70-58(86)48(30-76)74-56(84)45(23-35-26-64-41-11-6-4-9-39(35)41)71-57(85)46(24-36-27-62-31-67-36)72-54(82)42-17-18-51(79)68-42/h3-6,8-11,13-16,25-27,31-32,42-49,63-64,76-77H,7,12,17-24,28-30H2,1-2H3,(H2,61,78)(H,62,67)(H,65,87)(H,66,81)(H,68,79)(H,69,80)(H,70,86)(H,71,85)(H,72,82)(H,73,83)(H,74,84)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1",NMJREATYWWNIKX-XJIZABAQSA-N,C60H73N15O13,1212.3,1211.551227,0.5,426,2480,0,15,14,29,88,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
16-DEHYDROPREGNENOLONE ACETATE,000979-02-2,92855,"[(3S,8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate",CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C,"InChI=1S/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21H,6,8-13H2,1-4H3/t17-,18-,20-,21-,22-,23+/m0/s1",MZWRIOUCMXPLKV-RFOVXIPZSA-N,C23H32O3,356.5,356.2351449,4.5,43.4,702,0,0,3,3,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
LUTEOTROPIC HORMONE,009002-62-4,168266256,"[6-[2-butyl-3-[[4-[2-(5,6-dinitrooxyhexanoyloxy)ethylcarbamoyl]phenyl]methyl]imidazol-4-yl]-4-oxo-5-(thiophen-3-ylmethyl)hex-5-enyl] 5,6-dinitrooxyhexanoate;4-nitrooxybutyl 6-[2-butyl-3-[[4-[[2-(4-nitrooxybutoxy)-2-oxoethyl]carbamoyl]phenyl]methyl]imidazol-4-yl]-4-oxo-5-(thiophen-3-ylmethyl)hex-5-enoate;5-nitrooxyhexyl 6-[2-butyl-3-[[4-[[2-(5-nitrooxyhexoxy)-2-oxoethyl]carbamoyl]phenyl]methyl]imidazol-4-yl]-4-oxo-5-(thiophen-3-ylmethyl)hex-5-enoate;[4-(nitrooxymethyl)phenyl]methyl 6-[2-butyl-3-[[4-[[2-[[4-(nitrooxymethyl)phenyl]methoxy]-2-oxoethyl]carbamoyl]phenyl]methyl]imidazol-4-yl]-4-oxo-5-(thiophen-3-ylmethyl)hex-5-enoate",CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)NCCOC(=O)CCCC(CO[N+](=O)[O-])O[N+](=O)[O-])C=C(CC3=CSC=C3)C(=O)CCCOC(=O)CCCC(CO[N+](=O)[O-])O[N+](=O)[O-].CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)NCC(=O)OCCCCC(C)O[N+](=O)[O-])C=C(CC3=CSC=C3)C(=O)CCC(=O)OCCCCC(C)O[N+](=O)[O-].CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)NCC(=O)OCCCCO[N+](=O)[O-])C=C(CC3=CSC=C3)C(=O)CCC(=O)OCCCCO[N+](=O)[O-].CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)NCC(=O)OCC3=CC=C(C=C3)CO[N+](=O)[O-])C=C(CC4=CSC=C4)C(=O)CCC(=O)OCC5=CC=C(C=C5)CO[N+](=O)[O-],"InChI=1S/C44H45N5O12S.C40H51N7O18S.C40H53N5O12S.C36H45N5O12S/c1-2-3-4-41-45-23-39(22-38(21-36-19-20-62-30-36)40(50)17-18-42(51)58-26-32-5-9-34(10-6-32)28-60-48(54)55)47(41)25-31-13-15-37(16-14-31)44(53)46-24-43(52)59-27-33-7-11-35(12-8-33)29-61-49(56)57;1-2-3-10-37-42-24-33(23-32(22-30-17-21-66-28-30)36(48)9-6-19-60-38(49)11-4-7-34(64-46(56)57)26-62-44(52)53)43(37)25-29-13-15-31(16-14-29)40(51)41-18-20-61-39(50)12-5-8-35(65-47(58)59)27-63-45(54)55;1-4-5-12-37-41-25-35(24-34(23-32-19-22-58-28-32)36(46)17-18-38(47)54-20-8-6-10-29(2)56-44(50)51)43(37)27-31-13-15-33(16-14-31)40(49)42-26-39(48)55-21-9-7-11-30(3)57-45(52)53;1-2-3-8-33-37-23-31(22-30(21-28-15-20-54-26-28)32(42)13-14-34(43)50-16-4-6-18-52-40(46)47)39(33)25-27-9-11-29(12-10-27)36(45)38-24-35(44)51-17-5-7-19-53-41(48)49/h5-16,19-20,22-23,30H,2-4,17-18,21,24-29H2,1H3,(H,46,53);13-17,21,23-24,28,34-35H,2-12,18-20,22,25-27H2,1H3,(H,41,51);13-16,19,22,24-25,28-30H,4-12,17-18,20-21,23,26-27H2,1-3H3,(H,42,49);9-12,15,20,22-23,26H,2-8,13-14,16-19,21,24-25H2,1H3,(H,38,45)",ZNRYUPYKSAFPRM-UHFFFAOYSA-N,C160H194N22O54S4,3417.6,3416.202713,,1130,5660,0,4,62,114,240,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"CYCLOTETRASILOXANE, 2,2,4,6,6,8-HEXAMETHYL-4,8-DIPHENYL-",004657-20-9,20774,"2,2,4,6,6,8-hexamethyl-4,8-diphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane",C[Si]1(O[Si](O[Si](O[Si](O1)(C)C2=CC=CC=C2)(C)C)(C)C3=CC=CC=C3)C,"InChI=1S/C18H28O4Si4/c1-23(2)19-25(5,17-13-9-7-10-14-17)21-24(3,4)22-26(6,20-23)18-15-11-8-12-16-18/h7-16H,1-6H3",ZTQZMPQJXABFNC-UHFFFAOYSA-N,C18H28O4Si4,420.8,420.1064655,,36.9,428,0,0,4,2,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,1
HEPTAMETHYLPHENYLCYCLOTETRASILOXANE,010448-09-6,25287,"2,2,4,4,6,6,8-heptamethyl-8-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane",C[Si]1(O[Si](O[Si](O[Si](O1)(C)C)(C)C2=CC=CC=C2)(C)C)C,"InChI=1S/C13H26O4Si4/c1-18(2)14-19(3,4)16-21(7,17-20(5,6)15-18)13-11-9-8-10-12-13/h8-12H,1-7H3",NSLNFHKUIKHPGY-UHFFFAOYSA-N,C13H26O4Si4,358.68,358.0908154,,36.9,358,0,0,4,1,21,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Pregna-1,4-diene-3,20-dione, 17-(benzoyloxy)-9-fluoro-11,21-dihydroxy-16-methy",022298-29-9,5282492,"[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] benzoate",C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)OC(=O)C5=CC=CC=C5)C)O)F)C,"InChI=1S/C29H33FO6/c1-17-13-22-21-10-9-19-14-20(32)11-12-26(19,2)28(21,30)23(33)15-27(22,3)29(17,24(34)16-31)36-25(35)18-7-5-4-6-8-18/h4-8,11-12,14,17,21-23,31,33H,9-10,13,15-16H2,1-3H3/t17-,21-,22-,23-,26-,27-,28-,29-/m0/s1",SOQJPQZCPBDOMF-YCUXZELOSA-N,C29H33FO6,496.6,496.2261169,3.9,101,1030,0,2,7,5,36,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"(17-alpha)-13-ethyl-11-methylene-18,19-Dinorpregn-4-en-20-yn-17-ol",054024-22-5,40973,"(8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol",CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CCCC[C@H]34,"InChI=1S/C22H30O/c1-4-21-14-15(3)20-17-9-7-6-8-16(17)10-11-18(20)19(21)12-13-22(21,23)5-2/h2,8,17-20,23H,3-4,6-7,9-14H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1",RPLCPCMSCLEKRS-BPIQYHPVSA-N,C22H30O,310.5,310.2296656,4.9,20.2,605,0,1,1,2,23,,428ºC,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Luteinizing hormone-releasing hormone, (D-phe(sup 2))-(D-ala(sup 6))-",054784-44-0,5490328,(2S)-N-[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide,C[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)[C@@H]6CCC(=O)N6,"InChI=1S/C59H79N15O13/c1-32(2)25-42(53(82)68-41(15-9-23-63-59(61)62)58(87)74-24-10-16-47(74)57(86)65-30-48(60)77)69-50(79)33(3)66-52(81)43(27-35-17-19-37(76)20-18-35)71-56(85)46(31-75)73-55(84)45(28-36-29-64-39-14-8-7-13-38(36)39)72-54(83)44(26-34-11-5-4-6-12-34)70-51(80)40-21-22-49(78)67-40/h4-8,11-14,17-20,29,32-33,40-47,64,75-76H,9-10,15-16,21-28,30-31H2,1-3H3,(H2,60,77)(H,65,86)(H,66,81)(H,67,78)(H,68,82)(H,69,79)(H,70,80)(H,71,85)(H,72,83)(H,73,84)(H4,61,62,63)/t33-,40+,41+,42+,43+,44-,45+,46+,47+/m1/s1",VQKMKQJDJGQSDZ-SZYFUYGVSA-N,C59H79N15O13,1206.4,1205.598178,-0.2,446,2430,0,15,14,31,87,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Luteinizing hormone-releasing factor(pig), 2-D-phenylalanine-3-L-proline-6-D-p",064789-67-9,197203,(2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide,CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CO)NC(=O)[C@@H]4CCCN4C(=O)[C@@H](CC5=CC=CC=C5)NC(=O)[C@@H]6CCC(=O)N6,"InChI=1S/C59H80N14O13/c1-34(2)28-41(51(79)66-40(16-9-25-63-59(61)62)57(85)72-26-10-17-46(72)55(83)64-32-48(60)76)67-52(80)42(29-35-12-5-3-6-13-35)68-53(81)43(30-37-19-21-38(75)22-20-37)69-54(82)45(33-74)71-56(84)47-18-11-27-73(47)58(86)44(31-36-14-7-4-8-15-36)70-50(78)39-23-24-49(77)65-39/h3-8,12-15,19-22,34,39-47,74-75H,9-11,16-18,23-33H2,1-2H3,(H2,60,76)(H,64,83)(H,65,77)(H,66,79)(H,67,80)(H,68,81)(H,69,82)(H,70,78)(H,71,84)(H4,61,62,63)/t39-,40-,41-,42+,43-,44+,45-,46-,47-/m0/s1",WYGRGFSYVORMAZ-NIOTWYNPSA-N,C59H80N14O13,1193.4,1192.602929,0,421,2390,0,13,14,30,86,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1-BUTANONE, 2-(DIMETHYLAMINO)-1-[4-(4-MORPHOLINYL)PHENYL]-2-(PHENYLMETHYL)-",119313-12-1,86171,2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one,CCC(CC1=CC=CC=C1)(C(=O)C2=CC=C(C=C2)N3CCOCC3)N(C)C,"InChI=1S/C23H30N2O2/c1-4-23(24(2)3,18-19-8-6-5-7-9-19)22(26)20-10-12-21(13-11-20)25-14-16-27-17-15-25/h5-13H,4,14-18H2,1-3H3",UHFFVFAKEGKNAQ-UHFFFAOYSA-N,C23H30N2O2,366.5,366.2307282,4.1,32.8,461,0,0,4,7,27,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
BORIC ANHYDRIDE,001303-86-2,11073337,"2,4,5-trioxa-1,3-diborabicyclo[1.1.1]pentane",B12OB(O1)O2,InChI=1S/B2O3/c3-1-4-2(3)5-1,RPPTVYMVSNHGRG-UHFFFAOYSA-N,B2O3,69.63,70.0033542,,27.7,33,0,0,3,0,5,,"3380 °F at 760 mmHg (NIOSH, 2024)",0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
BENZYLTRIPHENYLPHOSPHONIUM BISPHENOL AF,075768-65-9,44148777,"benzyl(triphenyl)phosphanium;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenolate",C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC(=CC=C1C(C2=CC=C(C=C2)[O-])(C(F)(F)F)C(F)(F)F)O,"InChI=1S/C25H22P.C15H10F6O2/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-20H,21H2;1-8,22-23H/q+1;/p-1",MEMADLITSPCZKR-UHFFFAOYSA-M,C40H31F6O2P,688.6,688.1965862,,43.3,723,0,1,8,7,49,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2-Oxazolidinone, 3-((5-nitrofurfurylidene)amino)-",000067-45-8,5323714,"3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one",C1COC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-],"InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2/b9-5+",PLHJDBGFXBMTGZ-WEVVVXLNSA-N,C8H7N3O5,225.16,225.0385703,-0.1,101,326,0,0,6,2,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"5-alpha-Androstan-3-one, 17-beta-hydroxy-, benzoate",001057-07-4,13987,"[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] benzoate",C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OC(=O)C5=CC=CC=C5)C,"InChI=1S/C26H34O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,18,20-23H,8-16H2,1-2H3/t18-,20-,21-,22-,23-,25-,26-/m0/s1",ZGDZDAPCWHIIKB-LVYWIKMTSA-N,C26H34O3,394.5,394.2507949,5.9,43.4,665,0,0,3,3,29,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Pregna-4,6-diene-3,20-dione, 17-hydroxy-6-methyl-16-methylene-, acetate",002919-66-6,250948,"[(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-16-methylidene-3-oxo-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] acetate",CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC(=C)[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C,"InChI=1S/C25H32O4/c1-14-11-19-20(23(5)9-7-18(28)13-21(14)23)8-10-24(6)22(19)12-15(2)25(24,16(3)26)29-17(4)27/h11,13,19-20,22H,2,7-10,12H2,1,3-6H3/t19-,20+,22+,23-,24+,25+/m1/s1",UDKABVSQKJNZBH-DWNQPYOZSA-N,C25H32O4,396.5,396.2300595,3.1,60.4,892,0,0,4,3,29,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
alpha-Chaconine,020562-03-2,442971,"(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol",C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C,"InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3/t19-,20+,21-,22-,24-,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1",TYNQWWGVEGFKRU-AJDPQWBVSA-N,C45H73NO14,852.1,851.503106,1.8,220,1570,0,8,15,7,60,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Benzamide, 4-chloro-N-(2-methyl-1-indolinyl)-3-sulfamoyl-",026807-65-8,3702,"4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide",CC1CC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N,"InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)",NDDAHWYSQHTHNT-UHFFFAOYSA-N,C16H16ClN3O3S,365.8,365.0600902,2.9,101,580,0,2,5,3,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Heptanoic acid, 7-((3-chloro-6,11-dihydro-6-methyldibenzo(e,f)(1,2)thiazapin-1",066981-73-5,68870,"7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanoic acid",CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCCCC(=O)O,"InChI=1S/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)",JICJBGPOMZQUBB-UHFFFAOYSA-N,C21H25ClN2O4S,437,436.1223562,1.2,95.1,654,0,2,6,8,29,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"2-Pyrrolidinone, 1-(4-methoxybenzoyl)-",072432-10-1,2196,1-(4-methoxybenzoyl)pyrrolidin-2-one,COC1=CC=C(C=C1)C(=O)N2CCCC2=O,"InChI=1S/C12H13NO3/c1-16-10-6-4-9(5-7-10)12(15)13-8-2-3-11(13)14/h4-7H,2-3,8H2,1H3",ZXNRTKGTQJPIJK-UHFFFAOYSA-N,C12H13NO3,219.24,219.0895433,1.6,46.6,282,0,0,3,2,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2(1H)-Quinolinone, 3,4-dihydro-6-(4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy)-",073963-72-1,2754,"6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one",C1CCC(CC1)N2C(=NN=N2)CCCCOC3=CC4=C(C=C3)NC(=O)CC4,"InChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)",RRGUKTPIGVIEKM-UHFFFAOYSA-N,C20H27N5O2,369.5,369.2164751,3.1,81.9,485,0,1,5,7,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Morpholine, 4-((4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,",105219-56-5,65889,"3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-morpholin-4-ylpropan-1-one",CC1=NN=C2N1C3=C(C=C(S3)CCC(=O)N4CCOCC4)C(=NC2)C5=CC=CC=C5Cl,"InChI=1S/C22H22ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,6-11,13H2,1H3",JGPJQFOROWSRRS-UHFFFAOYSA-N,C22H22ClN5O2S,456,455.1182738,1.1,101,691,0,0,6,4,31,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(5,5-dimethyl-1,3,2-diox",111011-76-8,119170,"2-(N-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate;hydrochloride",CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5.Cl,"InChI=1S/C34H38N3O7P.ClH/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45;/h5-17,20,31,35H,18-19,21-23H2,1-4H3;1H",OXVTXPCIJDYQIS-UHFFFAOYSA-N,C34H39ClN3O7P,668.1,667.2214153,,123,1170,0,2,9,10,46,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2H-1,4-Benzoxazine-8-carboxamide, 3,4-dihydro-N-1-azabicyclo(2.2.2)oct-3-yl-6-",123040-16-4,115000,"N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride",CN1C(=O)COC2=C(C=C(C=C21)Cl)C(=O)NC3CN4CCC3CC4.Cl,"InChI=1S/C17H20ClN3O3.ClH/c1-20-14-7-11(18)6-12(16(14)24-9-15(20)22)17(23)19-13-8-21-4-2-10(13)3-5-21;/h6-7,10,13H,2-5,8-9H2,1H3,(H,19,23);1H",DBMKBKPJYAHLQP-UHFFFAOYSA-N,C17H21Cl2N3O3,386.3,385.0959969,,61.9,523,0,2,4,2,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
Adrenomedullin (human),148498-78-6,56841671,"(3S)-3-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(4R,7S,13S,16S,19R)-19-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-13-benzyl-16-(3-carbamimidamidopropyl)-7-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-4-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-1-[[2-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid",CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CCCNC(=N)N)CC3=CC=CC=C3)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC4=CN=CN4)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N7CCC[C@H]7C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CC9=CC=C(C=C9)O)C(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)N,"InChI=1S/C264H406N80O77S3/c1-19-132(10)207(335-200(366)120-294-216(377)160(78-84-189(270)355)308-234(395)171(107-142-52-30-24-31-53-142)322-237(398)176(112-196(277)362)324-238(399)175(111-195(276)361)323-230(391)166(90-101-422-18)312-245(406)182(123-346)332-229(390)163(81-87-192(273)358)309-220(381)156(60-42-95-289-261(280)281)302-215(376)151(269)103-144-66-72-148(352)73-67-144)253(414)315-159(63-45-98-292-264(286)287)226(387)331-183(124-347)246(407)320-170(106-141-50-28-23-29-51-141)219(380)295-119-199(365)301-185-126-423-424-127-186(334-256(417)210(137(15)349)336-201(367)121-296-218(379)169(105-140-48-26-22-27-49-140)319-224(385)157(307-247(185)408)61-43-96-290-262(282)283)248(409)342-212(139(17)351)258(419)338-206(131(8)9)252(413)316-164(82-88-193(274)359)227(388)303-152(56-34-38-91-265)221(382)318-168(102-129(4)5)233(394)298-135(13)214(375)317-174(110-147-117-288-128-297-147)236(397)311-165(83-89-194(275)360)232(393)340-208(133(11)20-2)254(415)328-172(109-146-70-76-150(354)77-71-146)235(396)310-162(80-86-191(272)357)228(389)321-173(108-143-54-32-25-33-55-143)242(403)341-211(138(16)350)257(418)329-180(116-204(372)373)240(401)305-154(58-36-40-93-267)222(383)326-178(114-202(368)369)239(400)304-153(57-35-39-92-266)223(384)327-179(115-203(370)371)241(402)325-177(113-197(278)363)243(404)337-205(130(6)7)251(412)299-136(14)259(420)343-99-46-64-187(343)249(410)313-158(62-44-97-291-263(284)285)225(386)330-181(122-345)244(405)306-155(59-37-41-94-268)231(392)339-209(134(12)21-3)255(416)333-184(125-348)260(421)344-100-47-65-188(344)250(411)314-161(79-85-190(271)356)217(378)293-118-198(364)300-167(213(279)374)104-145-68-74-149(353)75-69-145/h22-33,48-55,66-77,117,128-139,151-188,205-212,345-354H,19-21,34-47,56-65,78-116,118-127,265-269H2,1-18H3,(H2,270,355)(H2,271,356)(H2,272,357)(H2,273,358)(H2,274,359)(H2,275,360)(H2,276,361)(H2,277,362)(H2,278,363)(H2,279,374)(H,288,297)(H,293,378)(H,294,377)(H,295,380)(H,296,379)(H,298,394)(H,299,412)(H,300,364)(H,301,365)(H,302,376)(H,303,388)(H,304,400)(H,305,401)(H,306,405)(H,307,408)(H,308,395)(H,309,381)(H,310,396)(H,311,397)(H,312,406)(H,313,410)(H,314,411)(H,315,414)(H,316,413)(H,317,375)(H,318,382)(H,319,385)(H,320,407)(H,321,389)(H,322,398)(H,323,391)(H,324,399)(H,325,402)(H,326,383)(H,327,384)(H,328,415)(H,329,418)(H,330,386)(H,331,387)(H,332,390)(H,333,416)(H,334,417)(H,335,366)(H,336,367)(H,337,404)(H,338,419)(H,339,392)(H,340,393)(H,341,403)(H,342,409)(H,368,369)(H,370,371)(H,372,373)(H4,280,281,289)(H4,282,283,290)(H4,284,285,291)(H4,286,287,292)/t132-,133-,134-,135-,136-,137+,138+,139+,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,205-,206-,207-,208-,209-,210-,211-,212-/m0/s1",ULCUCJFASIJEOE-NPECTJMMSA-N,C264H406N80O77S3,6029,6026.954232,-28.6,2690,15400,0,90,90,193,424,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1-Piperidinebutanoic acid, 4-((4-chlorophenyl)-2-pyridinylmethoxy)- (S)-, mono",190786-44-8,164521,benzenesulfonic acid;4-[4-[(S)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoic acid,C1CN(CCC1O[C@@H](C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCCC(=O)O.C1=CC=C(C=C1)S(=O)(=O)O,"InChI=1S/C21H25ClN2O3.C6H6O3S/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26;7-10(8,9)6-4-2-1-3-5-6/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26);1-5H,(H,7,8,9)/t21-;/m0./s1",UDGHXQPQKQPSBB-BOXHHOBZSA-N,C27H31ClN2O6S,547.1,546.1591356,,125,632,0,2,8,9,37,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
ELUXADOLINE,864821-90-9,11250029,"5-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-methoxybenzoic acid",CC1=CC(=CC(=C1C[C@@H](C(=O)N(CC2=CC(=C(C=C2)OC)C(=O)O)[C@@H](C)C3=NC=C(N3)C4=CC=CC=C4)N)C)C(=O)N,"InChI=1S/C32H35N5O5/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41)/t20-,26-/m0/s1",QFNHIDANIVGXPE-FNZWTVRRSA-N,C32H35N5O5,569.6,569.2638192,0.9,165,917,0,4,7,11,42,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1H-1-Benzazepine-1-acetic acid, 2,3,4,5-tetrahydro-3-((1-(ethoxycarbonyl)-3-ph",086541-74-4,5362123,"2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid;hydrochloride",CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CCC3=CC=CC=C3N(C2=O)CC(=O)O.Cl,"InChI=1S/C24H28N2O5.ClH/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28;/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28);1H/t19-,20-;/m0./s1",VPSRQEHTHIMDQM-FKLPMGAJSA-N,C24H29ClN2O5,460.9,460.1764997,,95.9,619,0,3,6,10,32,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1H-Indole-2-carboxylic acid, octahydro-1-(2-((1-(ethoxycarbonyl)-3-phenylpropy",087679-37-6,5484727,"(2S,3aR,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid",CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C(=O)O,"InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16-,18+,19-,20-,21-/m0/s1",VXFJYXUZANRPDJ-WTNASJBWSA-N,C24H34N2O5,430.5,430.2467722,2,95.9,633,0,2,6,10,31,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"1H-ISOINDOLE-1,3(2H)-DIONE, 4,5,6,7-TETRAHYDRO-2-(7-FLUORO-3,4-DIHYDRO-3-OXO-4",103361-09-7,92425,"2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione",C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F,"InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2",FOUWCSDKDDHKQP-UHFFFAOYSA-N,C19H15FN2O4,354.3,354.1015851,1.8,66.9,724,0,0,5,2,26,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
BALANCE,,84098,"(5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone",CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C3CC3,"InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3",OYIKARCXOQLFHF-UHFFFAOYSA-N,C15H12F3NO4S,359.3,359.0439135,2.4,85.6,597,0,0,8,4,24,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Benzene, 1-((2-(4-ethoxyphenyl)-2-methylpropoxy)methyl)-3-phenoxy-",080844-07-1,71245,1-ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene,CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3,"InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3",YREQHYQNNWYQCJ-UHFFFAOYSA-N,C25H28O3,376.5,376.2038448,7,27.7,422,0,0,3,9,28,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZO[B]CHRYSENE,000214-17-5,9163,"pentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene",C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC5=CC=CC=C5C=C43,InChI=1S/C22H14/c1-2-7-17-14-22-18(13-16(17)6-1)10-12-20-19-8-4-3-5-15(19)9-11-21(20)22/h1-14H,YYGRIGYJXSQDQB-UHFFFAOYSA-N,C22H14,278.3,278.1095504,6.5,0,399,0,0,0,0,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
LEDIPASVIR,1256388-51-8,67505836,"methyl N-[(2S)-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate",CC(C)[C@@H](C(=O)N1CC2(CC2)C[C@H]1C3=NC=C(N3)C4=CC5=C(C=C4)C6=C(C5(F)F)C=C(C=C6)C7=CC8=C(C=C7)N=C(N8)[C@@H]9[C@H]1CC[C@H](C1)N9C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC,"InChI=1S/C49H54F2N8O6/c1-24(2)39(56-46(62)64-5)44(60)58-23-48(15-16-48)21-38(58)42-52-22-37(55-42)28-9-13-32-31-12-8-26(18-33(31)49(50,51)34(32)19-28)27-10-14-35-36(20-27)54-43(53-35)41-29-7-11-30(17-29)59(41)45(61)40(25(3)4)57-47(63)65-6/h8-10,12-14,18-20,22,24-25,29-30,38-41H,7,11,15-17,21,23H2,1-6H3,(H,52,55)(H,53,54)(H,56,62)(H,57,63)/t29-,30+,38-,39-,40-,41-/m0/s1",VRTWBAAJJOHBQU-KMWAZVGDSA-N,C49H54F2N8O6,889,888.4134378,7.4,175,1820,0,4,10,12,65,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"DIBENZ[C,H]ACRIDINE",000224-53-3,9178,"2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene",C1=CC=C2C(=C1)C=CC3=C2N=C4C(=C3)C=CC5=CC=CC=C54,InChI=1S/C21H13N/c1-3-7-18-14(5-1)9-11-16-13-17-12-10-15-6-2-4-8-19(15)21(17)22-20(16)18/h1-13H,BTVBCAKHMZHLFR-UHFFFAOYSA-N,C21H13N,279.3,279.1047994,6,12.9,369,0,0,1,0,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"Thiomorpholine, 3-methyl-4-((5-nitrofurfurylidene)amino)-, 1,1-dioxide",023256-30-6,6842999,"(E)-N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitrofuran-2-yl)methanimine",CC1CS(=O)(=O)CCN1/N=C/C2=CC=C(O2)[N+](=O)[O-],"InChI=1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3/b11-6+",ARFHIAQFJWUCFH-IZZDOVSWSA-N,C10H13N3O5S,287.29,287.0575917,1.3,117,467,0,0,7,2,19,,550.3±50.0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
RELEBACTAM,1174018-99-5,44129647,"[(2S,5R)-7-oxo-2-(piperidin-4-ylcarbamoyl)-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate",C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)NC3CCNCC3,"InChI=1S/C12H20N4O6S/c17-11(14-8-3-5-13-6-4-8)10-2-1-9-7-15(10)12(18)16(9)22-23(19,20)21/h8-10,13H,1-7H2,(H,14,17)(H,19,20,21)/t9-,10+/m1/s1",SMOBCLHAZXOKDQ-ZJUUUORDSA-N,C12H20N4O6S,348.38,348.1103555,-3.6,137,585,0,3,7,4,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"BENZO(G,H,I)PERYLENE",000191-24-2,9117,"hexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene",C1=CC2=C3C(=C1)C4=CC=CC5=C4C6=C(C=C5)C=CC(=C36)C=C2,InChI=1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H,GYFAGKUZYNFMBN-UHFFFAOYSA-N,C22H12,276.3,276.0939004,6.6,0,411,0,0,0,0,22,,550 °C at 760 mm Hg,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-DIHYDROANTHRACENE",000613-31-0,11940,"9,10-dihydroanthracene",C1C2=CC=CC=C2CC3=CC=CC=C31,"InChI=1S/C14H12/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-8H,9-10H2",WPDAVTSOEQEGMS-UHFFFAOYSA-N,C14H12,180.24,180.0939004,4.2,0,154,0,0,0,0,14,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZO(A)FLUORENE,000238-84-6,9195,11H-benzo[a]fluorene,C1C2=CC=CC=C2C3=C1C4=CC=CC=C4C=C3,"InChI=1S/C17H12/c1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16/h1-10H,11H2",HKMTVMBEALTRRR-UHFFFAOYSA-N,C17H12,216.28,216.0939004,5.7,0,282,0,0,0,0,17,,405 °C,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
9-PHENYLANTHRACENE,000602-55-1,11766,9-phenylanthracene,C1=CC=C(C=C1)C2=C3C=CC=CC3=CC4=CC=CC=C42,InChI=1S/C20H14/c1-2-8-15(9-3-1)20-18-12-6-4-10-16(18)14-17-11-5-7-13-19(17)20/h1-14H,LUBXLGUQZVKOFP-UHFFFAOYSA-N,C20H14,254.3,254.1095504,6,0,292,0,0,0,1,20,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DIBENZOSUBERENONE,002222-33-5,16679,"tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one",C1=CC=C2C(=C1)C=CC3=CC=CC=C3C2=O,InChI=1S/C15H10O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10H,SNVTZAIYUGUKNI-UHFFFAOYSA-N,C15H10O,206.24,206.0731649,4.2,17.1,277,0,0,1,0,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"10,10'-BIANTHRONYL",000434-84-4,97174,10-(10-oxo-9H-anthracen-9-yl)-10H-anthracen-9-one,C1=CC=C2C(=C1)C(C3=CC=CC=C3C2=O)C4C5=CC=CC=C5C(=O)C6=CC=CC=C46,"InChI=1S/C28H18O2/c29-27-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)27)26-19-11-3-7-15-23(19)28(30)24-16-8-4-12-20(24)26/h1-16,25-26H",ZQXZUOJNJXNUEO-UHFFFAOYSA-N,C28H18O2,386.4,386.1306798,6.1,34.1,572,0,0,2,1,30,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
20-HYDROXYECDYSONE,005289-74-7,5459840,"(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one",C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O,"InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1",NKDFYOWSKOHCCO-YPVLXUMRSA-N,C27H44O7,480.6,480.3087037,0.5,138,869,0,6,7,5,34,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRAPHENYLPHOSPHONIUM TETRAPHENYLBORATE,015525-15-2,9831062,tetraphenylboranuide;tetraphenylphosphanium,[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C24H20B.C24H20P/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h2*1-20H/q-1;+1",QYFWPOPFFBCTLK-UHFFFAOYSA-N,C48H40BP,658.6,658.2960684,,0,603,0,0,1,8,50,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BASOLITE Z377,676593-65-0,163323435,"tetrazinc;bis(4-[3,5-bis(4-carboxylatophenyl)phenyl]benzoate);oxygen(2-)",C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)C(=O)[O-])C4=CC=C(C=C4)C(=O)[O-])C(=O)[O-].C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)C(=O)[O-])C4=CC=C(C=C4)C(=O)[O-])C(=O)[O-].[O-2].[Zn+2].[Zn+2].[Zn+2].[Zn+2],"InChI=1S/2C27H18O6.O.4Zn/c2*28-25(29)19-7-1-16(2-8-19)22-13-23(17-3-9-20(10-4-17)26(30)31)15-24(14-22)18-5-11-21(12-6-18)27(32)33;;;;;/h2*1-15H,(H,28,29)(H,30,31)(H,32,33);;;;;/q;;-2;4*+2/p-6",RDZVGMILMJSSPX-UHFFFAOYSA-H,C54H30O13Zn4,1148.3,1147.8778,,242,1420,0,0,13,8,71,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-ANTHRACENEDIONE, 1,8-DIPHENOXY-",000082-17-7,66501,"1,8-diphenoxyanthracene-9,10-dione",C1=CC=C(C=C1)OC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4OC5=CC=CC=C5,InChI=1S/C26H16O4/c27-25-19-13-7-15-21(29-17-9-3-1-4-10-17)23(19)26(28)24-20(25)14-8-16-22(24)30-18-11-5-2-6-12-18/h1-16H,ADJYQFBOMQAMAI-UHFFFAOYSA-N,C26H16O4,392.4,392.104859,5.9,52.6,569,0,0,4,4,30,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"METHANONE, 1,5-NAPHTHALENEDIYLBIS[PHENYL-",000083-80-7,66525,(5-benzoylnaphthalen-1-yl)-phenylmethanone,C1=CC=C(C=C1)C(=O)C2=CC=CC3=C2C=CC=C3C(=O)C4=CC=CC=C4,InChI=1S/C24H16O2/c25-23(17-9-3-1-4-10-17)21-15-7-14-20-19(21)13-8-16-22(20)24(26)18-11-5-2-6-12-18/h1-16H,OOSBCICQIJKSIO-UHFFFAOYSA-N,C24H16O2,336.4,336.1150297,5.9,34.1,452,0,0,2,4,26,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENECARBOXAMIDE, 3-HYDROXY-N-1-NAPHTHALENYL-",000132-68-3,67241,3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide,C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC4=CC=CC=C4C=C3O,"InChI=1S/C21H15NO2/c23-20-13-16-8-2-1-7-15(16)12-18(20)21(24)22-19-11-5-9-14-6-3-4-10-17(14)19/h1-13,23H,(H,22,24)",QGZGJNPVHADCFM-UHFFFAOYSA-N,C21H15NO2,313.3,313.1102787,5.5,49.3,451,0,2,2,2,24,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZO[B]THIOPHEN-3(2H)-ONE, 6-CHLORO-2-(6-CHLORO-4-METHYL-3-OXOBENZO[B]THIEN-2",002379-74-0,3000709,(2E)-6-chloro-2-(6-chloro-4-methyl-3-oxo-1-benzothiophen-2-ylidene)-4-methyl-1-benzothiophen-3-one,CC1=CC(=CC2=C1C(=O)/C(=C\3/C(=O)C4=C(S3)C=C(C=C4C)Cl)/S2)Cl,"InChI=1S/C18H10Cl2O2S2/c1-7-3-9(19)5-11-13(7)15(21)17(23-11)18-16(22)14-8(2)4-10(20)6-12(14)24-18/h3-6H,1-2H3/b18-17+",NDDLLTAIKYHPOD-ISLYRVAYSA-N,C18H10Cl2O2S2,393.3,391.9499273,6.1,84.7,568,0,0,4,0,24,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-BENZ[DE]ISOQUINOLINE-1,3(2H)-DIONE, 6-AMINO-2-(2,4-DIMETHYLPHENYL)-",002478-20-8,75589,"6-amino-2-(2,4-dimethylphenyl)benzo[de]isoquinoline-1,3-dione",CC1=CC(=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)N)C=CC=C4C2=O)C,"InChI=1S/C20H16N2O2/c1-11-6-9-17(12(2)10-11)22-19(23)14-5-3-4-13-16(21)8-7-15(18(13)14)20(22)24/h3-10H,21H2,1-2H3",FQLZTPSAVDHUKS-UHFFFAOYSA-N,C20H16N2O2,316.4,316.1211778,3.8,63.4,534,0,1,3,1,24,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENESULFONAMIDE, N-[2-(4-OXO-4H-3,1-BENZOXAZIN-2-YL)PHENYL]-",010128-55-9,82379,"N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-sulfonamide",C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5C(=O)O4,"InChI=1S/C24H16N2O4S/c27-24-20-10-4-5-11-21(20)25-23(30-24)19-9-3-6-12-22(19)26-31(28,29)18-14-13-16-7-1-2-8-17(16)15-18/h1-15,26H",SYRKOPHMPLPLPQ-UHFFFAOYSA-N,C24H16N2O4S,428.5,428.0830782,4.7,93.2,805,0,1,6,4,31,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"METHANONE, 1,8-NAPHTHALENEDIYLBIS[PHENYL-",019274-72-7,87993,(8-benzoylnaphthalen-1-yl)-phenylmethanone,C1=CC=C(C=C1)C(=O)C2=CC=CC3=C2C(=CC=C3)C(=O)C4=CC=CC=C4,InChI=1S/C24H16O2/c25-23(18-9-3-1-4-10-18)20-15-7-13-17-14-8-16-21(22(17)20)24(26)19-11-5-2-6-12-19/h1-16H,QPKUOOVISUGIRK-UHFFFAOYSA-N,C24H16O2,336.4,336.1150297,5.9,34.1,454,0,0,2,4,26,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"COBALTATE(1-), BIS[2-(3-CHLOROPHENYL)-2,4-DIHYDRO-4-[[2-HYDROXY-5-(METHYLSULFO",020506-24-5,161316,"[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine;bis(1-(3-chlorophenyl)-3-methyl-4-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]pyrazol-5-olate);cobalt(3+);hydron",[H+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)C)[O-])[O-])C3=CC(=CC=C3)Cl.CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)C)[O-])[O-])C3=CC(=CC=C3)Cl.CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CN)C.[Co+3],"InChI=1S/C20H31N.2C17H15ClN4O4S.Co/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4;2*1-10-16(17(24)22(21-10)12-5-3-4-11(18)8-12)20-19-14-9-13(27(2,25)26)6-7-15(14)23;/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3;2*3-9,23-24H,1-2H3;/q;;;+3/p-3/t18-,19-,20+;;;/m0.../s1",PNUBKMPJXBOYGD-CLYBICPXSA-K,C54H58Cl2CoN9O8S2,1155.1,1153.255876,,288,1020,0,2,15,10,76,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-PENTENE-1,5-DIONE, 1,3,5-TRIPHENYL-",023800-57-9,90979,"1,3,5-triphenylpent-2-ene-1,5-dione",C1=CC=C(C=C1)C(=CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3,"InChI=1S/C23H18O2/c24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(25)20-14-8-3-9-15-20/h1-16H,17H2",DNFKLFZFLOSFFB-UHFFFAOYSA-N,C23H18O2,326.4,326.1306798,5.2,34.1,472,0,0,2,6,25,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,4-DIOXACYCLOHEXADECANE-5,16-DIONE",054982-83-1,41270,"1,4-dioxacyclohexadecane-5,16-dione",C1CCCCCC(=O)OCCOC(=O)CCCC1,InChI=1S/C14H24O4/c15-13-9-7-5-3-1-2-4-6-8-10-14(16)18-12-11-17-13/h1-12H2,GJJSUPSPZIZYPM-UHFFFAOYSA-N,C14H24O4,256.34,256.1674592,3.6,52.6,224,0,0,4,0,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"NAPHTHALENE, 1,2,3,4-TETRAHYDRO-5-(1-PHENYLETHYL)-",060466-61-7,108461,"5-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene",CC(C1=CC=CC=C1)C2=CC=CC3=C2CCCC3,"InChI=1S/C18H20/c1-14(15-8-3-2-4-9-15)17-13-7-11-16-10-5-6-12-18(16)17/h2-4,7-9,11,13-14H,5-6,10,12H2,1H3",TXOHWLOHKUPUKO-UHFFFAOYSA-N,C18H20,236.4,236.1565006,5.6,0,251,0,0,0,2,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"METHANAMINIUM, N-[4-[BIS[4-(DIMETHYLAMINO)PHENYL]METHYLENE]-2,5-CYCLOHEXADIEN-",067953-39-3,11979713,"tris([4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium);methane",C.CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C,"InChI=1S/3C25H30N3.CH4/c3*1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h3*7-18H,1-6H3;1H4/q3*+1;",KPAYJMRLTWFKQV-UHFFFAOYSA-N,C76H94N9+3,1133.6,1132.763219,,28.5,542,3,0,6,12,85,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ETHANAMINIUM, N-[4-[[4-(DIETHYLAMINO)PHENYL][4-(ETHYLAMINO)-1-NAPHTHALENYL]MET",068083-42-1,11979718,"tris([4-[[4-(diethylamino)phenyl]-[4-(ethylamino)naphthalen-1-yl]methyl]cyclohexa-2,5-dien-1-ylidene]-diethylazanium);methane",C.C.CCNC1=CC=C(C2=CC=CC=C21)C(C3C=CC(=[N+](CC)CC)C=C3)C4=CC=C(C=C4)N(CC)CC.CCNC1=CC=C(C2=CC=CC=C21)C(C3C=CC(=[N+](CC)CC)C=C3)C4=CC=C(C=C4)N(CC)CC.CCNC1=CC=C(C2=CC=CC=C21)C(C3C=CC(=[N+](CC)CC)C=C3)C4=CC=C(C=C4)N(CC)CC,"InChI=1S/3C33H42N3.2CH4/c3*1-6-34-32-24-23-31(29-13-11-12-14-30(29)32)33(25-15-19-27(20-16-25)35(7-2)8-3)26-17-21-28(22-18-26)36(9-4)10-5;;/h3*11-25,33-34H,6-10H2,1-5H3;2*1H4/q3*+1;;",VNKUPALUCBWLJX-UHFFFAOYSA-N,C101H134N9+3,1474.2,1474.079575,,54.8,733,3,3,6,30,110,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYCLOPENTANONE, 2-[2-(4-METHYL-3-CYCLOHEXEN-1-YL)PROPYL]-",095962-14-4,175661,2-[2-(4-methylcyclohex-3-en-1-yl)propyl]cyclopentan-1-one,CC1=CCC(CC1)C(C)CC2CCCC2=O,"InChI=1S/C15H24O/c1-11-6-8-13(9-7-11)12(2)10-14-4-3-5-15(14)16/h6,12-14H,3-5,7-10H2,1-2H3",KNHGOYVXAHUDHP-UHFFFAOYSA-N,C15H24O,220.35,220.1827154,3.4,17.1,290,0,0,1,3,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
PENOXSULAM,219714-96-2,11784975,"2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide",COC1=CN=C(N2C1=NC(=N2)NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)OC,"InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)",SYJGKVOENHZYMQ-UHFFFAOYSA-N,C16H14F5N5O5S,483.4,483.0635806,2.9,125,727,0,1,14,8,32,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Pyridinecarboxamide, N-(2,4-difluorophenyl)-2-(3-(trifluoromethyl)phenoxy)-",083164-33-4,91735,"N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide",C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F,"InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)",WYEHFWKAOXOVJD-UHFFFAOYSA-N,C19H11F5N2O2,394.3,394.0740684,4.6,51.2,533,0,1,8,4,28,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,4,6,7,8-HEXAHYDRO-4,6,6,7,8,8-HEXAMETHYLCYCLOPENTA(G)-2-BENZOPYRAN",001222-05-5,91497,"4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene",CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C,"InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3",ONKNPOPIGWHAQC-UHFFFAOYSA-N,C18H26O,258.4,258.1983654,4.8,9.2,357,0,0,1,0,19,,BP: 128 °C at 0.8 mm Hg,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-1,2,4-Triazole-1-propanenitrile, alpha-(2-(4-chlorophenyl)ethyl)-alpha-phen",114369-43-6,86138,"4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile",C1=CC=C(C=C1)C(CCC2=CC=C(C=C2)Cl)(CN3C=NC=N3)C#N,"InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2",RQDJADAKIFFEKQ-UHFFFAOYSA-N,C19H17ClN4,336.8,336.1141743,3.2,54.5,434,0,0,3,6,24,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CARBAMIC ACID, [5-CHLORO-3-[[4-(DIETHYLAMINO)-2-METHYLPHENYL]IMINO]-4-METHYL-6",125630-94-6,3086617,"ethyl N-[(3S)-5-chloro-3-[[4-(diethylamino)-2-methylphenyl]iminomethyl]-4-methyl-6-oxocyclohexa-1,4-dien-1-yl]carbamate",CCN(CC)C1=CC(=C(C=C1)N=C[C@H]2C=C(C(=O)C(=C2C)Cl)NC(=O)OCC)C,"InChI=1S/C22H28ClN3O3/c1-6-26(7-2)17-9-10-18(14(4)11-17)24-13-16-12-19(25-22(28)29-8-3)21(27)20(23)15(16)5/h9-13,16H,6-8H2,1-5H3,(H,25,28)/t16-/m1/s1",PXALOSRQFNJYSK-MRXNPFEDSA-N,C22H28ClN3O3,417.9,417.1819195,4.2,71,697,0,1,5,8,29,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"N,N'-(((6S)-6-PHENYL-6H-INDOLO(1,2-C)(1,3)BENZOXAZINE-3,10-DIYL)BIS(1H-IMIDAZOLE-5,2-DIYL-(2S)-2,1-PYRROLIDINEDIYL((1S)-1-(1-METHYLETHYL)-2-OXO-2,1-ETHANEDIYL)))BISCARBAMIC ACID, C,C'-DIMETHYL ESTER",1370468-36-2,71661251,"methyl N-[(2S)-1-[(2S)-2-[5-[(6S)-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate",CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC4=C(C=C3)N5[C@@H](OC6=C(C5=C4)C=CC(=C6)C7=CN=C(N7)[C@@H]8CCCN8C(=O)[C@H](C(C)C)NC(=O)OC)C9=CC=CC=C9)NC(=O)OC,"InChI=1S/C49H55N9O7/c1-27(2)41(54-48(61)63-5)45(59)56-20-10-14-37(56)43-50-25-34(52-43)30-17-19-36-32(22-30)23-39-33-18-16-31(24-40(33)65-47(58(36)39)29-12-8-7-9-13-29)35-26-51-44(53-35)38-15-11-21-57(38)46(60)42(28(3)4)55-49(62)64-6/h7-9,12-13,16-19,22-28,37-38,41-42,47H,10-11,14-15,20-21H2,1-6H3,(H,50,52)(H,51,53)(H,54,61)(H,55,62)/t37-,38-,41-,42-,47-/m0/s1",BVAZQCUMNICBAQ-PZHYSIFUSA-N,C49H55N9O7,882,881.4224451,6.7,189,1680,0,4,9,13,65,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, [(9,10-DIHYDRO-9,10-DIOXO-1,4-ANTHRACENEDIYL)BIS(IMINO-4",070161-19-2,166100,"disodium;2-[4-[[9,10-dioxo-4-[4-(2-sulfonatophenoxy)anilino]anthracen-1-yl]amino]phenoxy]benzenesulfonate",C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NC4=CC=C(C=C4)OC5=CC=CC=C5S(=O)(=O)[O-])NC6=CC=C(C=C6)OC7=CC=CC=C7S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C38H26N2O10S2.2Na/c41-37-27-7-1-2-8-28(27)38(42)36-30(40-24-15-19-26(20-16-24)50-32-10-4-6-12-34(32)52(46,47)48)22-21-29(35(36)37)39-23-13-17-25(18-14-23)49-31-9-3-5-11-33(31)51(43,44)45;;/h1-22,39-40H,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2",RRRIKVJQFOHOQZ-UHFFFAOYSA-L,C38H24N2Na2O10S2,778.7,778.0667759,,208,1330,0,2,12,8,54,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BROMOPYROGALLOL RED,016574-43-9,85495,"2',7'-dibromo-1,1-dioxospiro[2,1lambda6-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrol",C1=CC=C2C(=C1)C3(C4=CC(=C(C(=C4OC5=C(C(=C(C=C53)Br)O)O)O)O)Br)OS2(=O)=O,"InChI=1S/C19H10Br2O8S/c20-10-5-8-17(15(24)13(10)22)28-18-9(6-11(21)14(23)16(18)25)19(8)7-3-1-2-4-12(7)30(26,27)29-19/h1-6,22-25H",QFXYYBXMARTXHI-UHFFFAOYSA-N,C19H10Br2O8S,558.2,557.84426,3.5,142,756,0,4,8,0,30,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BIPHENYLENE,000259-79-0,9214,biphenylene,C1=CC=C2C(=C1)C3=CC=CC=C23,InChI=1S/C12H8/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H,IFVTZJHWGZSXFD-UHFFFAOYSA-N,C12H8,152.19,152.0626003,2.3,0,133,0,0,0,0,12,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CYCLOHEXYL PHENYL KETONE,000712-50-5,12837,cyclohexyl(phenyl)methanone,C1CCC(CC1)C(=O)C2=CC=CC=C2,"InChI=1S/C13H16O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2",BMFYCFSWWDXEPB-UHFFFAOYSA-N,C13H16O,188.26,188.1201151,3.7,17.1,185,0,0,1,2,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"N,N'-BIS-(3-METHYLPHENYL)-N,N'DIPHENYLBENZIDINE",065181-78-4,103315,3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline,CC1=CC(=CC=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC(=C6)C,"InChI=1S/C38H32N2/c1-29-11-9-17-37(27-29)39(33-13-5-3-6-14-33)35-23-19-31(20-24-35)32-21-25-36(26-22-32)40(34-15-7-4-8-16-34)38-18-10-12-30(2)28-38/h3-28H,1-2H3",OGGKVJMNFFSDEV-UHFFFAOYSA-N,C38H32N2,516.7,516.256549,10.8,6.5,660,0,0,2,7,40,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEACETIC ACID, 2-PHENYLETHYL ESTER",000102-20-5,7601,2-phenylethyl 2-phenylacetate,C1=CC=C(C=C1)CCOC(=O)CC2=CC=CC=C2,"InChI=1S/C16H16O2/c17-16(13-15-9-5-2-6-10-15)18-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2",ZOZIRNMDEZKZHM-UHFFFAOYSA-N,C16H16O2,240.3,240.1150297,3.9,26.3,237,0,0,2,6,18,,324.00 to 325.00 °C. @ 760.00 mm Hg,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4A(4H)-DIBENZOFURANCARBOXALDEHYDE, 1,5A,6,9,9A,9B-HEXAHYDRO-",000126-15-8,31341,"4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde",C1C=CCC2C1C3CC=CCC3(O2)C=O,"InChI=1S/C13H16O2/c14-9-13-8-4-3-6-11(13)10-5-1-2-7-12(10)15-13/h1-4,9-12H,5-8H2",XNYGOEGATLFFOX-UHFFFAOYSA-N,C13H16O2,204.26,204.1150297,2.1,26.3,331,0,0,2,1,15,,307 °C,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CYCLODODECANONE,000830-13-7,13246,cyclododecanone,C1CCCCCC(=O)CCCCC1,InChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2,SXVPOSFURRDKBO-UHFFFAOYSA-N,C12H22O,182.3,182.1670653,4.2,17.1,126,0,0,1,0,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3H-NAPHTHO[2,1-B]PYRAN, 3,3-DIPHENYL-",004222-20-2,3104870,"3,3-diphenylbenzo[f]chromene",C1=CC=C(C=C1)C2(C=CC3=C(O2)C=CC4=CC=CC=C43)C5=CC=CC=C5,InChI=1S/C25H18O/c1-3-10-20(11-4-1)25(21-12-5-2-6-13-21)18-17-23-22-14-8-7-9-19(22)15-16-24(23)26-25/h1-18H,UBNNJVRNPJVYBU-UHFFFAOYSA-N,C25H18O,334.4,334.1357652,6.7,9.2,478,0,0,1,2,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-INDOLE-5-CARBOXYLIC ACID, 2-[(1,5-DIHYDRO-3-METHYL-5-OXO-1-PHENYL-4H-PYRAZO",005718-26-3,57351062,"methyl 1,3,3-trimethyl-2-[2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)ethylidene]indole-5-carboxylate",CC1=NN(C(=O)C1=CC=C2C(C3=C(N2C)C=CC(=C3)C(=O)OC)(C)C)C4=CC=CC=C4,"InChI=1S/C25H25N3O3/c1-16-19(23(29)28(26-16)18-9-7-6-8-10-18)12-14-22-25(2,3)20-15-17(24(30)31-5)11-13-21(20)27(22)4/h6-15H,1-5H3",GSYLGDNZCGXCAQ-UHFFFAOYSA-N,C25H25N3O3,415.5,415.1895917,4.6,62.2,835,0,0,5,4,31,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,6-METHANONAPHTHALEN-1(2H)-OL, OCTAHYDRO-4,8A,9,9-TETRAMETHYL-, [1R-(1.ALPHA.",005986-55-0,10955174,"(1R,3R,6S,7S,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-3-ol",C[C@H]1CC[C@@]2([C@@]3([C@H]1C[C@H](C2(C)C)CC3)C)O,"InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m0/s1",GGHMUJBZYLPWFD-CUZKYEQNSA-N,C15H26O,222.37,222.1983654,4.1,20.2,321,0,1,1,0,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
C.I. ACID BLACK 107,012218-96-1,168266394,"tetrabenzyl 6-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-16-[(6,7-difluoro-1-hydroxy-3-oxo-1H-cyclopenta[b]naphthalen-2-ylidene)methyl]-9,19-dioxa-5,15-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3(11),4(8),6,12,14(18),16-heptaene-10,10,20,20-tetracarboxylate",C1=CC=C(C=C1)COC(=O)C2(C3=CC4=C(C=C3C5=C(O2)C=C(S5)C=C6C(C7=C(C6=O)C=C8C=C(C(=CC8=C7)F)F)O)C(OC9=C4SC(=C9)C=C1C(=O)C2=C(C1=O)C=C1C=C(C(=CC1=C2)F)F)(C(=O)OCC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1,"InChI=1S/C76H44F4O14S2/c77-59-25-43-21-49-50(22-44(43)26-60(59)78)66(82)55(65(49)81)29-47-31-63-69(95-47)53-34-58-54(33-57(53)75(93-63,71(85)89-35-39-13-5-1-6-14-39)72(86)90-36-40-15-7-2-8-16-40)70-64(32-48(96-70)30-56-67(83)51-23-45-27-61(79)62(80)28-46(45)24-52(51)68(56)84)94-76(58,73(87)91-37-41-17-9-3-10-18-41)74(88)92-38-42-19-11-4-12-20-42/h1-34,65,81H,35-38H2",BKLMISUWLJMZDF-UHFFFAOYSA-N,C76H44F4O14S2,1321.3,1320.210861,15,252,2890,0,1,20,18,96,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENE, [(3-CYCLOHEXEN-1-YLIDENEMETHOXY)METHYL]-",022428-48-4,90782,cyclohex-3-en-1-ylidenemethoxymethylbenzene,C1CC(=COCC2=CC=CC=C2)CC=C1,"InChI=1S/C14H16O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-5,7-8,12H,6,9-11H2",JEVXQVKXMWAWQE-UHFFFAOYSA-N,C14H16O,200.28,200.1201151,3.2,9.2,234,0,0,1,3,15,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-PYRAN, 6-BUTYL-3,6-DIHYDRO-2,4-DIMETHYL-",024237-00-1,91147,"6-butyl-2,4-dimethyl-3,6-dihydro-2H-pyran",CCCCC1C=C(CC(O1)C)C,"InChI=1S/C11H20O/c1-4-5-6-11-8-9(2)7-10(3)12-11/h8,10-11H,4-7H2,1-3H3",OSMLMQQJZVENMX-UHFFFAOYSA-N,C11H20O,168.28,168.1514153,2.9,9.2,160,0,0,1,3,12,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"6H-Dibenz(b,f)oxiren(d)azepine-6-carboxamide, 1a,10b-dihydro-",036507-30-9,2555,"3-oxa-11-azatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene-11-carboxamide",C1=CC=C2C(=C1)C3C(O3)C4=CC=CC=C4N2C(=O)N,"InChI=1S/C15H12N2O2/c16-15(18)17-11-7-3-1-5-9(11)13-14(19-13)10-6-2-4-8-12(10)17/h1-8,13-14H,(H2,16,18)",ZRWWEEVEIOGMMT-UHFFFAOYSA-N,C15H12N2O2,252.27,252.0898776,1.3,58.9,358,0,1,2,0,19,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CHROMATE(2-), [2,4-DIHYDRO-4-[(2-HYDROXY-5-NITROPHENYL)AZO]-5-METHYL-2-PHENYL-",068479-95-8,163235,sodium;chromium(3+);7-(dioxidoamino)-3-oxo-4-[(2-oxonaphthalen-1-ylidene)hydrazinylidene]naphthalene-1-sulfonate;hydron;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate,[H+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[O-])C3=CC=CC=C3.C1=CC=C2C(=C1)C=CC(=O)C2=NN=C3C4=C(C=C(C=C4)N([O-])[O-])C(=CC3=O)S(=O)(=O)[O-].[Na+].[Cr+3],"InChI=1S/C20H11N3O7S.C16H13N5O4.Cr.Na/c24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(21(24)25)7-8-14(13)22;;/h1-10H,(H,28,29,30);2-9,22-23H,1H3;;/q-2;;+3;+1/p-2",OQDULRWORFVFLQ-UHFFFAOYSA-L,C36H22CrN8NaO11S,849.7,849.043149,,308,1490,0,1,17,4,58,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 4-[[4-CHLORO-6-[[8-HYDROXY-3,6-DISULFO-7-[(1-SULFO-2-NAPHTHALENY",070776-19-1,136075972,"trisodium;5-[[4-(4-carboxyanilino)-6-chloro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonate",C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])NC5=NC(=NC(=N5)NC6=CC=C(C=C6)C(=O)O)Cl)O.[Na+].[Na+].[Na+],"InChI=1S/C30H20ClN7O12S3.3Na/c31-28-34-29(32-17-8-5-15(6-9-17)27(40)41)36-30(35-28)33-21-13-18(51(42,43)44)11-16-12-22(52(45,46)47)24(25(39)23(16)21)38-37-20-10-7-14-3-1-2-4-19(14)26(20)53(48,49)50;;;/h1-13,39H,(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,32,33,34,35,36);;;/q;3*+1/p-3",LDAJEGCAUAHDAT-UHFFFAOYSA-K,C30H17ClN7Na3O12S3,868.1,866.9478931,,342,1630,0,4,19,7,56,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3H-DIBENZ[F,IJ]ISOQUINOLINE-2,7-DIONE, 1-BENZOYL-4-[4-(1,1-DIMETHYLPROPYL)PHEN",072453-58-8,136038702,"10-anilino-16-benzoyl-15-hydroxy-12-[4-(2-methylbutan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one",CCC(C)(C)C1=CC=C(C=C1)OC2=C3C4=C(C(=C2)NC5=CC=CC=C5)C(=O)C6=CC=CC=C6C4=C(C(=N3)O)C(=O)C7=CC=CC=C7,"InChI=1S/C40H32N2O4/c1-4-40(2,3)25-19-21-27(22-20-25)46-31-23-30(41-26-15-9-6-10-16-26)33-34-32(28-17-11-12-18-29(28)38(33)44)35(39(45)42-36(31)34)37(43)24-13-7-5-8-14-24/h5-23,41H,4H2,1-3H3,(H,42,45)",QUTLRBYOTJDTQY-UHFFFAOYSA-N,C40H32N2O4,604.7,604.2362075,11,88.5,1060,0,2,6,8,46,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-THIAZOLECARBOXYLIC ACID, 2-CHLORO-4-(TRIFLUOROMETHYL)-, PHENYLMETHYL ESTER",072850-64-7,91715,"benzyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate",C1=CC=C(C=C1)COC(=O)C2=C(N=C(S2)Cl)C(F)(F)F,"InChI=1S/C12H7ClF3NO2S/c13-11-17-9(12(14,15)16)8(20-11)10(18)19-6-7-4-2-1-3-5-7/h1-5H,6H2",MKQSWTQPLLCSOB-UHFFFAOYSA-N,C12H7ClF3NO2S,321.7,320.9838118,4.5,67.4,350,0,0,7,4,20,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 3-[[[4-(2-BENZOTHIAZOLYLAZO)-3-METHYLPHENYL]ETHYLAMINO]M",072968-74-2,23673695,"sodium 3-[[4-(1,3-benzothiazol-2-yldiazenyl)-N-ethyl-3-methylanilino]methyl]benzenesulfonate",CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC(=C(C=C2)N=NC3=NC4=CC=CC=C4S3)C.[Na+],"InChI=1S/C23H22N4O3S2.Na/c1-3-27(15-17-7-6-8-19(14-17)32(28,29)30)18-11-12-20(16(2)13-18)25-26-23-24-21-9-4-5-10-22(21)31-23;/h4-14H,3,15H2,1-2H3,(H,28,29,30);/q;+1/p-1",OLLGHBNUVHGMHJ-UHFFFAOYSA-M,C23H21N4NaO3S2,488.6,488.0952772,,135,750,0,0,8,7,33,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CHROMATE(1-), HYDROXY[2-HYDROXY-5-NITRO-3-[[2-OXO-1-[(PHENYLAMINO)CARBONYL]PRO",094276-33-2,163637,"5-[(1-anilino-1,3-dioxobutan-2-ylidene)hydrazinylidene]-3-(dioxidoamino)-6-oxocyclohexa-1,3-diene-1-sulfonate;chromium(3+);3-(2-ethylhexoxy)propan-1-amine;hydron;hydroxide",[H+].CCCCC(CC)COCCCN.CC(=O)C(=NN=C1C=C(C=C(C1=O)S(=O)(=O)[O-])N([O-])[O-])C(=O)NC2=CC=CC=C2.[OH-].[Cr+3],"InChI=1S/C16H12N4O8S.C11H25NO.Cr.H2O/c1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28;1-3-5-7-11(4-2)10-13-9-6-8-12;;/h2-8H,1H3,(H,17,23)(H,26,27,28);11H,3-10,12H2,1-2H3;;1H2/q-2;;+3;/p-1",WLYXNCZIBOZNOO-UHFFFAOYSA-M,C27H38CrN5O10S,676.7,676.174443,,239,1020,0,4,14,13,44,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENESULFONIC ACID, 6-AMINO-5-[[5-CHLORO-2-(2-CHLOROPHENOXY)PHENYL]AZO",103241-64-1,135764962,sodium 6-amino-5-[[5-chloro-2-(2-chlorophenoxy)phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate,C1=CC=C(C(=C1)OC2=C(C=C(C=C2)Cl)N=NC3=C(C=CC4=CC(=CC(=C43)O)S(=O)(=O)[O-])N)Cl.[Na+],"InChI=1S/C22H15Cl2N3O5S.Na/c23-13-6-8-20(32-19-4-2-1-3-15(19)24)17(10-13)26-27-22-16(25)7-5-12-9-14(33(29,30)31)11-18(28)21(12)22;/h1-11,28H,25H2,(H,29,30,31);/q;+1/p-1",FDVVINSONWRBSI-UHFFFAOYSA-M,C22H14Cl2N3NaO5S,526.3,524.9928914,,146,804,0,2,8,5,34,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-CYCLOHEXANEDICARBOXYLIC ACID, 1-BUTYL 2-(PHENYLMETHYL) ESTER",1200806-67-2,67113211,"2-O-benzyl 1-O-butyl cyclohexane-1,2-dicarboxylate",CCCCOC(=O)C1CCCCC1C(=O)OCC2=CC=CC=C2,"InChI=1S/C19H26O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-6,9-10,16-17H,2-3,7-8,11-14H2,1H3",AUJGRANHLVYNRP-UHFFFAOYSA-N,C19H26O4,318.4,318.1831093,4.3,52.6,374,0,0,4,9,23,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,7-NAPHTHALENEDISULFONIC ACID, 4-AMINO-3,6-BIS[[5-[[4-CHLORO-6-[(2-HYDROXYETH",085665-98-1,135853733,"tetrasodium;4-amino-3,6-bis[[5-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonate",C1=CC(=C(C=C1NC2=NC(=NC(=N2)NCCO)Cl)N=NC3=C(C4=C(C(=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC5=C(C=CC(=C5)NC6=NC(=NC(=N6)NCCO)Cl)S(=O)(=O)[O-])N)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C32H29Cl2N15O15S4.4Na/c33-27-40-29(36-5-7-50)44-31(42-27)38-14-1-3-18(65(53,54)55)16(11-14)46-48-24-20(67(59,60)61)9-13-10-21(68(62,63)64)25(26(52)22(13)23(24)35)49-47-17-12-15(2-4-19(17)66(56,57)58)39-32-43-28(34)41-30(45-32)37-6-8-51;;;;/h1-4,9-12,50-52H,5-8,35H2,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,36,38,40,42,44)(H2,37,39,41,43,45);;;;/q;4*+1/p-4",UQCXKZQVPUKQFJ-UHFFFAOYSA-J,C32H25Cl2N15Na4O15S4,1150.8,1148.950522,,524,2140,0,8,30,14,72,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, 2-(2-benzothiazolyloxy)-N-methyl-N-phenyl-",073250-68-7,91716,"2-(1,3-benzothiazol-2-yloxy)-N-methyl-N-phenylacetamide",CN(C1=CC=CC=C1)C(=O)COC2=NC3=CC=CC=C3S2,"InChI=1S/C16H14N2O2S/c1-18(12-7-3-2-4-8-12)15(19)11-20-16-17-13-9-5-6-10-14(13)21-16/h2-10H,11H2,1H3",XIGAUIHYSDTJHW-UHFFFAOYSA-N,C16H14N2O2S,298.4,298.0775989,3.2,70.7,360,0,0,4,4,21,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
FLUOPYRAM,658066-35-4,11158353,N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-2-(trifluoromethyl)benzamide,C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F,"InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)",KVDJTXBXMWJJEF-UHFFFAOYSA-N,C16H11ClF6N2O,396.71,396.0464096,4.5,42,484,0,1,8,4,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"THIODIETHYLENE BIS(3,5-DI-TERT-BUTYL-4-HYDROXYHYDROCINNAMATE)",041484-35-9,64883,"2-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethylsulfanyl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate",CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCCSCCOC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C,"InChI=1S/C38H58O6S/c1-35(2,3)27-21-25(22-28(33(27)41)36(4,5)6)13-15-31(39)43-17-19-45-20-18-44-32(40)16-14-26-23-29(37(7,8)9)34(42)30(24-26)38(10,11)12/h21-24,41-42H,13-20H2,1-12H3",VFBJXXJYHWLXRM-UHFFFAOYSA-N,C38H58O6S,642.9,642.3954107,10.4,118,798,0,2,7,18,45,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"5,9,14,18-ANTHRAZINETETRONE, 6,15-DIHYDRO-",000081-77-6,6690,"2,17-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),3(16),4(13),6,8,10,14,19(28),21,23,25,29-dodecaene-5,12,20,27-tetrone",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)NC5=C(N4)C=CC6=C5C(=O)C7=CC=CC=C7C6=O,"InChI=1S/C28H14N2O4/c31-25-13-5-1-3-7-15(13)27(33)21-17(25)9-11-19-23(21)29-20-12-10-18-22(24(20)30-19)28(34)16-8-4-2-6-14(16)26(18)32/h1-12,29-30H",UHOKSCJSTAHBSO-UHFFFAOYSA-N,C28H14N2O4,442.4,442.0953569,4.9,92.3,857,0,2,6,0,34,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"QUINO[2,3-B]ACRIDINE-7,14-DIONE, 5,12-DIHYDRO-2,9-DIMETHYL-",000980-26-7,70423,"2,9-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione",CC1=CC2=C(C=C1)NC3=CC4=C(C=C3C2=O)NC5=C(C4=O)C=C(C=C5)C,"InChI=1S/C22H16N2O2/c1-11-3-5-17-13(7-11)21(25)15-9-20-16(10-19(15)23-17)22(26)14-8-12(2)4-6-18(14)24-20/h3-10H,1-2H3,(H,23,25)(H,24,26)",TXWSZJSDZKWQAU-UHFFFAOYSA-N,C22H16N2O2,340.4,340.1211778,4.8,58.2,553,0,2,4,0,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,8-DIOXACYCLOHEPTADECAN-9-ONE",001725-01-5,74408,"1,8-dioxacycloheptadecan-9-one",C1CCCCOCCCCCCOC(=O)CCC1,InChI=1S/C15H28O3/c16-15-11-7-3-1-2-4-8-12-17-13-9-5-6-10-14-18-15/h1-14H2,MZLRFHKWWCSGHB-UHFFFAOYSA-N,C15H28O3,256.38,256.2038448,3.8,35.5,204,0,0,3,0,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENESULFONIC ACID, 6-HYDROXY-5-[[4-[[4-(PHENYLAMINO)-3-SULFOPHENYL]AZ",006262-07-3,80422,disodium;5-[[4-[(4-anilino-3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]-6-hydroxynaphthalene-2-sulfonate,C1=CC=C(C=C1)NC2=C(C=C(C=C2)N=NC3=CC=C(C4=CC=CC=C43)N=NC5=C(C=CC6=C5C=CC(=C6)S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C32H23N5O7S2.2Na/c38-30-17-10-20-18-23(45(39,40)41)12-13-24(20)32(30)37-36-28-16-15-27(25-8-4-5-9-26(25)28)35-34-22-11-14-29(31(19-22)46(42,43)44)33-21-6-2-1-3-7-21;;/h1-19,33,38H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2",WXUZMLVSQROLEX-UHFFFAOYSA-L,C32H21N5Na2O7S2,697.7,697.0677789,,213,1270,0,2,12,6,48,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEMETHANAMINIUM, N-ETHYL-N-[4-[[4-[ETHYL[(3-SULFOPHENYL)METHYL]AMINO]PHEN",015792-67-3,11979396,"dialuminum;tris(2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate)",CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5S(=O)(=O)[O-].CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5S(=O)(=O)[O-].CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5S(=O)(=O)[O-].[Al+3].[Al+3],"InChI=1S/3C37H36N2O9S3.2Al/c3*1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h3*5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;;;2*+3/p-6",KQVJZDZLEDQCSD-UHFFFAOYSA-H,C111H102Al2N6O27S9,2294.6,2293.394364,,609,1510,0,0,30,27,155,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEPROPANOIC ACID, 3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXY-, 2-[3-[3,5-BIS(1,",032687-78-8,61916,"3-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide",CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NNC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C,"InChI=1S/C34H52N2O4/c1-31(2,3)23-17-21(18-24(29(23)39)32(4,5)6)13-15-27(37)35-36-28(38)16-14-22-19-25(33(7,8)9)30(40)26(20-22)34(10,11)12/h17-20,39-40H,13-16H2,1-12H3,(H,35,37)(H,36,38)",HCILJBJJZALOAL-UHFFFAOYSA-N,C34H52N2O4,552.8,552.3927081,8.8,98.7,724,0,4,4,10,40,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-DIOXOLANE, 2-METHYL-4-PHENYL-",033941-99-0,118119,"2-methyl-4-phenyl-1,3-dioxolane",CC1OCC(O1)C2=CC=CC=C2,"InChI=1S/C10H12O2/c1-8-11-7-10(12-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3",YPPGSWWESBCSCT-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,1.8,18.5,141,0,0,2,1,12,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZIMIDAZO[2,1-B]BENZO[LMN][3,8]PHENANTHROLINE-1,3,6(2H)-TRIONE, 2-(3-METHOXY",052673-15-1,104284,"17-(3-methoxypropyl)-6-methyl-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione",CC1=CC2=C(C=C1)N3C(=N2)C4=C5C(=CC=C6C5=C(C=C4)C(=O)N(C6=O)CCCOC)C3=O,"InChI=1S/C25H19N3O4/c1-13-4-9-19-18(12-13)26-22-14-5-6-15-21-16(7-8-17(20(14)21)25(31)28(19)22)24(30)27(23(15)29)10-3-11-32-2/h4-9,12H,3,10-11H2,1-2H3",PMZXKSSDXXNNIO-UHFFFAOYSA-N,C25H19N3O4,425.4,425.1375561,3.5,81.5,817,0,0,5,4,32,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 3-(aminosulfonyl)-4-phenoxy-5-(1-pyrrolidinyl)-",055837-27-9,4849,4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid,C1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC=C3,"InChI=1S/C17H18N2O5S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23)",UJEWTUDSLQGTOA-UHFFFAOYSA-N,C17H18N2O5S,362.4,362.0936429,2.2,118,564,0,2,7,5,25,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-ANTHRACENESULFONIC ACID, 1-AMINO-4-[[3-[(BENZOYLAMINO)METHYL]-2,4,6-TRIMETHY",067827-60-5,23675859,"sodium 1-amino-4-[3-(benzamidomethyl)-2,4,6-trimethylanilino]-9,10-dioxoanthracene-2-sulfonate",CC1=CC(=C(C(=C1CNC(=O)C2=CC=CC=C2)C)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-])C.[Na+],"InChI=1S/C31H27N3O6S.Na/c1-16-13-17(2)28(18(3)22(16)15-33-31(37)19-9-5-4-6-10-19)34-23-14-24(41(38,39)40)27(32)26-25(23)29(35)20-11-7-8-12-21(20)30(26)36;/h4-14,34H,15,32H2,1-3H3,(H,33,37)(H,38,39,40);/q;+1/p-1",OFHDOLUPOLKDSG-UHFFFAOYSA-M,C31H26N3NaO6S,591.6,591.144001,,167,1110,0,3,8,6,42,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-ANTHRACENESULFONIC ACID, 1-AMINO-4-[[3,5-BIS[(BENZOYLAMINO)METHYL]-2,4,6-TRI",067827-61-6,23675860,"sodium 1-amino-4-[3,5-bis(benzamidomethyl)-2,4,6-trimethylanilino]-9,10-dioxoanthracene-2-sulfonate",CC1=C(C(=C(C(=C1CNC(=O)C2=CC=CC=C2)C)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-])C)CNC(=O)C6=CC=CC=C6.[Na+],"InChI=1S/C39H34N4O7S.Na/c1-21-28(19-41-38(46)24-12-6-4-7-13-24)22(2)35(23(3)29(21)20-42-39(47)25-14-8-5-9-15-25)43-30-18-31(51(48,49)50)34(40)33-32(30)36(44)26-16-10-11-17-27(26)37(33)45;/h4-18,43H,19-20,40H2,1-3H3,(H,41,46)(H,42,47)(H,48,49,50);/q;+1/p-1",QCTYVVWNINGBCP-UHFFFAOYSA-M,C39H33N4NaO7S,724.8,724.1967649,,196,1350,0,4,9,9,52,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 2-[[4-(CYCLOHEXYLAMINO)-9,10-DIHYDRO-9,10-DIOXO-1-ANTHRA",068214-62-0,23687854,"sodium 2-[[4-(cyclohexylamino)-9,10-dioxoanthracen-1-yl]amino]-5-ethoxybenzenesulfonate",CCOC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC4CCCCC4)C(=O)C5=CC=CC=C5C3=O)S(=O)(=O)[O-].[Na+],"InChI=1S/C28H28N2O6S.Na/c1-2-36-18-12-13-21(24(16-18)37(33,34)35)30-23-15-14-22(29-17-8-4-3-5-9-17)25-26(23)28(32)20-11-7-6-10-19(20)27(25)31;/h6-7,10-17,29-30H,2-5,8-9H2,1H3,(H,33,34,35);/q;+1/p-1",CXWFCOOJXJFGKX-UHFFFAOYSA-M,C28H27N2NaO6S,542.6,542.148752,,133,936,0,2,8,7,38,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CHROMIUM, [4-[(4,5-DIHYDRO-3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4-YL)AZO]-3-HYDR",068541-72-0,110531,chromium(3+);4-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-3-oxidonaphthalene-1-sulfonate,CC1=NN(C(=C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])[O-])[O-])C4=CC=CC=C4.[Cr+3],"InChI=1S/C20H16N4O5S.Cr/c1-12-18(20(26)24(23-12)13-7-3-2-4-8-13)21-22-19-15-10-6-5-9-14(15)17(11-16(19)25)30(27,28)29;/h2-11,25-26H,1H3,(H,27,28,29);/q;+3/p-3",WUDKWDJHMUEONP-UHFFFAOYSA-K,C20H13CrN4O5S,473.4,473.00117,,154,710,0,0,8,3,31,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENESULFONIC ACID, 8-[[4-[(4-AMINO-3-SULFOPHENYL)AZO]-6-SULFO-1-NAPHT",070210-31-0,112392,tetrasodium;3-[[4-[[4-[(4-amino-3-sulfonatophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-7-benzamido-4-hydroxynaphthalene-2-sulfonate,C1=CC=C(C=C1)C(=O)NC2=CC3=CC(=C(C(=C3C=C2)O)N=NC4=C5C=CC(=CC5=C(C=C4)N=NC6=C7C=CC(=CC7=C(C=C6)N=NC8=CC(=C(C=C8)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C43H30N8O14S4.4Na/c44-34-13-7-26(20-39(34)68(60,61)62)46-47-37-16-14-35(30-11-8-27(21-32(30)37)66(54,55)56)48-49-38-17-15-36(31-12-9-28(22-33(31)38)67(57,58)59)50-51-41-40(69(63,64)65)19-24-18-25(6-10-29(24)42(41)52)45-43(53)23-4-2-1-3-5-23;;;;/h1-22,52H,44H2,(H,45,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65);;;;/q;4*+1/p-4",HIEDOYRWOABXMI-UHFFFAOYSA-J,C43H26N8Na4O14S4,1098.9,1098.004209,,412,2310,0,3,21,8,73,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEPROPANOIC ACID, 3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXY-, (1,2-DIOXO-1,2-E",070331-94-1,93405,"2-[[2-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethylamino]-2-oxoacetyl]amino]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate",CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCCNC(=O)C(=O)NCCOC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C,"InChI=1S/C40H60N2O8/c1-37(2,3)27-21-25(22-28(33(27)45)38(4,5)6)13-15-31(43)49-19-17-41-35(47)36(48)42-18-20-50-32(44)16-14-26-23-29(39(7,8)9)34(46)30(24-26)40(10,11)12/h21-24,45-46H,13-20H2,1-12H3,(H,41,47)(H,42,48)",OXWDLAHVJDUQJM-UHFFFAOYSA-N,C40H60N2O8,696.9,696.4349669,8.8,151,990,0,4,8,18,50,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CHROMATE(2-), [2,4-DIHYDRO-4-[(2-HYDROXY-5-NITROPHENYL)AZO]-5-METHYL-2-PHENYL-",070815-17-7,154734742,sodium;chromium(3+);hydron;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate;5-nitro-2-oxido-3-[(2-oxidonaphthalen-1-yl)diazenyl]benzenesulfonate,[H+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[O-])C3=CC=CC=C3.C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C(=CC(=C3)[N+](=O)[O-])S(=O)(=O)[O-])[O-])[O-].[Na+].[Cr+3],"InChI=1S/C16H13N5O4.C16H11N3O7S.Cr.Na/c1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(21(24)25)7-8-14(13)22;20-13-6-5-9-3-1-2-4-11(9)15(13)18-17-12-7-10(19(22)23)8-14(16(12)21)27(24,25)26;;/h2-9,22-23H,1H3;1-8,20-21H,(H,24,25,26);;/q;;+3;+1/p-4",LYBNHTDQEDBIGI-UHFFFAOYSA-J,C32H20CrN8NaO11S,799.6,799.027499,,317,1150,0,1,16,5,54,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, [(9,10-DIHYDRO-9,10-DIOXO-1,4-ANTHRACENEDIYL)BIS[IMINO(3",070900-27-5,172671,"disodium;1,4-bis[4-(benzenesulfonyloxy)butan-2-ylimino]anthracene-9,10-diolate",CC(CCOS(=O)(=O)C1=CC=CC=C1)N=C2C=CC(=NC(C)CCOS(=O)(=O)C3=CC=CC=C3)C4=C(C5=CC=CC=C5C(=C24)[O-])[O-].[Na+].[Na+],"InChI=1S/C34H34N2O8S2.2Na/c1-23(19-21-43-45(39,40)25-11-5-3-6-12-25)35-29-17-18-30(32-31(29)33(37)27-15-9-10-16-28(27)34(32)38)36-24(2)20-22-44-46(41,42)26-13-7-4-8-14-26;;/h3-18,23-24,37-38H,19-22H2,1-2H3;;/q;2*+1/p-2",XLLPAZOAOXJSTQ-UHFFFAOYSA-L,C34H32N2Na2O8S2,706.7,706.1395469,,174,1210,0,0,10,12,48,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 4-CHLORO-3-[4-[[5-CHLORO-2-(2-CHLOROPHENOXY)PHENYL]AZO]-",072479-28-8,23674291,sodium 4-chloro-3-[4-[[5-chloro-2-(2-chlorophenoxy)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate,CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3Cl)C4=C(C=CC(=C4)S(=O)(=O)[O-])Cl.[Na+],"InChI=1S/C22H15Cl3N4O5S.Na/c1-12-21(22(30)29(28-12)18-11-14(35(31,32)33)7-8-15(18)24)27-26-17-10-13(23)6-9-20(17)34-19-5-3-2-4-16(19)25;/h2-11,21H,1H3,(H,31,32,33);/q;+1/p-1",OCJDFNKUOCKZCE-UHFFFAOYSA-M,C22H14Cl3N4NaO5S,575.8,573.964818,,132,952,0,0,8,6,36,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"6-THIABICYCLO[3.2.1]OCTANE, 4,7,7-TRIMETHYL-",068398-18-5,109332,"4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane",CC1CCC2CC1SC2(C)C,"InChI=1S/C10H18S/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3",FAXNZPOZWCWYBD-UHFFFAOYSA-N,C10H18S,170.32,170.1129218,3.2,25.3,162,0,0,1,0,11,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,5-BIS-5'-TERT-BUTYL-BENZOXAZOLYL-(2')THIOPENE",007128-64-5,292429,"5-tert-butyl-2-[5-(5-tert-butyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole",CC(C)(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(S3)C4=NC5=C(O4)C=CC(=C5)C(C)(C)C,"InChI=1S/C26H26N2O2S/c1-25(2,3)15-7-9-19-17(13-15)27-23(29-19)21-11-12-22(31-21)24-28-18-14-16(26(4,5)6)8-10-20(18)30-24/h7-14H,1-6H3",AIXZBGVLNVRQSS-UHFFFAOYSA-N,C26H26N2O2S,430.6,430.1714993,8,80.3,590,0,0,5,4,31,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ASTAXANTHIN,000472-61-7,5281224,"(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one",CC1=C(C(C[C@@H](C1=O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)[C@H](CC2(C)C)O)C)\C)\C)/C)/C,"InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1",MQZIGYBFDRPAKN-UWFIBFSHSA-N,C40H52O4,596.8,596.3865601,10.3,74.6,1340,0,2,4,10,44,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRAPHENYLTHIOPHENE,001884-68-0,74664,"2,3,4,5-tetraphenylthiophene",C1=CC=C(C=C1)C2=C(SC(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5,InChI=1S/C28H20S/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)29-27(25)23-17-9-3-10-18-23/h1-20H,MQFBWJOMLIHUDY-UHFFFAOYSA-N,C28H20S,388.5,388.1285718,8.2,28.2,433,0,0,1,4,29,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
EPIBRASSINOLIDE,078821-43-9,443055,"(1S,2R,4R,5S,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one",C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@H](C)C(C)C)O)O,"InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21-,22+,23-,24-,25-,27-,28-/m1/s1",IXVMHGVQKLDRKH-QHBHMFGVSA-N,C28H48O6,480.7,480.3450893,4.8,107,755,0,4,6,5,34,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"TRIS[(1-BENZYL-1 H-1,2,3-TRIAZOL-4-YL)METHYL]AMINE",510758-28-8,11203363,"1-(1-benzyltriazol-4-yl)-N,N-bis[(1-benzyltriazol-4-yl)methyl]methanamine",C1=CC=C(C=C1)CN2C=C(N=N2)CN(CC3=CN(N=N3)CC4=CC=CC=C4)CC5=CN(N=N5)CC6=CC=CC=C6,"InChI=1S/C30H30N10/c1-4-10-25(11-5-1)16-38-22-28(31-34-38)19-37(20-29-23-39(35-32-29)17-26-12-6-2-7-13-26)21-30-24-40(36-33-30)18-27-14-8-3-9-15-27/h1-15,22-24H,16-21H2",WKGZJBVXZWCZQC-UHFFFAOYSA-N,C30H30N10,530.6,530.265491,2.9,95.4,628,0,0,7,12,40,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
NELFINAVIR MESYLATE,159989-65-8,64142,"(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide;methanesulfonic acid",CC1=C(C=CC=C1O)C(=O)N[C@@H](CSC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O.CS(=O)(=O)O,"InChI=1S/C32H45N3O4S.CH4O3S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4;1-5(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39);1H3,(H,2,3,4)/t22-,23+,26-,27-,29+;/m0./s1",NQHXCOAXSHGTIA-SKXNDZRYSA-N,C33H49N3O7S2,663.9,663.3011933,,190,922,0,5,9,10,45,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"(3-((2-METHOXY-4-((((2-METHYLPHENYL)SULFONYL)AMINO)CARBONYL)PHENYL)METHYL)-1-METHYL-1H-INDOL-5-YL)CARBAMIC ACID, CYCLOPENTYL ESTER",107753-78-6,5717,cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate,CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)NC(=O)OC5CCCC5)C)OC,"InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)",YEEZWCHGZNKEEK-UHFFFAOYSA-N,C31H33N3O6S,575.7,575.209007,5.5,124,1010,0,2,6,9,41,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"N-(6-(3-TERT-BUTYL-5-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-2-METHOXYPHENYL)NAPHTHALEN-2-YL)METHANESULFONAMIDE",1132935-63-7,56640146,"N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide",CC(C)(C)C1=CC(=CC(=C1OC)C2=CC3=C(C=C2)C=C(C=C3)NS(=O)(=O)C)N4C=CC(=O)NC4=O,"InChI=1S/C26H27N3O5S/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18/h6-15,28H,1-5H3,(H,27,30,31)",NBRBXGKOEOGLOI-UHFFFAOYSA-N,C26H27N3O5S,493.6,493.1671421,4.3,113,938,0,2,6,6,35,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"8,16-PYRANTHRENEDIONE",000128-70-1,31414,"pyranthrene-8,16-dione",C1=CC=C2C(=C1)C3=CC4=C5C6=C(C=CC(=C36)C2=O)C=C7C5=C(C=C4)C(=O)C8=CC=CC=C87,InChI=1S/C30H14O2/c31-29-19-7-3-1-5-17(19)23-13-15-9-12-22-28-24(18-6-2-4-8-20(18)30(22)32)14-16-10-11-21(29)27(23)25(16)26(15)28/h1-14H,LLBIOIRWAYBCKK-UHFFFAOYSA-N,C30H14O2,406.4,406.0993797,7.3,34.1,763,0,0,2,0,32,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CYCLOHEXADECANONE,002550-52-9,75695,cyclohexadecanone,C1CCCCCCCC(=O)CCCCCCC1,InChI=1S/C16H30O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h1-15H2,LXJDKGYSHYYKFJ-UHFFFAOYSA-N,C16H30O,238.41,238.2296656,6.4,17.1,168,0,0,1,0,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 4-[2-[4-(2-BENZOXAZOLYL)PHENYL]ETHENYL]-",004763-79-5,107591,"4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoic acid",C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)C=CC4=CC=C(C=C4)C(=O)O,"InChI=1S/C22H15NO3/c24-22(25)18-13-9-16(10-14-18)6-5-15-7-11-17(12-8-15)21-23-19-3-1-2-4-20(19)26-21/h1-14H,(H,24,25)",LKYXNMIEWBYPGZ-UHFFFAOYSA-N,C22H15NO3,341.4,341.1051933,5.2,63.3,504,0,1,4,4,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"SILANE, DIMETHYLBIS(PHENYLMETHYL)-",017964-30-6,87380,dibenzyl(dimethyl)silane,C[Si](C)(CC1=CC=CC=C1)CC2=CC=CC=C2,"InChI=1S/C16H20Si/c1-17(2,13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3",PHSNFACJRATEMO-UHFFFAOYSA-N,C16H20Si,240.41,240.1334272,,0,188,0,0,0,4,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 2-HYDROXY-, 3-PHENYLPROPYL ESTER",024781-13-3,90607,3-phenylpropyl 2-hydroxybenzoate,C1=CC=C(C=C1)CCCOC(=O)C2=CC=CC=C2O,"InChI=1S/C16H16O3/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11,17H,6,9,12H2",GMHNYYKDPGWAJR-UHFFFAOYSA-N,C16H16O3,256.3,256.1099444,5.2,46.5,271,0,1,3,6,19,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CHOLEST-5-EN-3-OL (3.BETA.)-, 2,4-DICHLOROBENZOATE",032832-01-2,7566714,"[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,4-dichlorobenzoate",C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C5=C(C=C(C=C5)Cl)Cl)C)C,"InChI=1S/C34H48Cl2O2/c1-21(2)7-6-8-22(3)28-13-14-29-26-11-9-23-19-25(38-32(37)27-12-10-24(35)20-31(27)36)15-17-33(23,4)30(26)16-18-34(28,29)5/h9-10,12,20-22,25-26,28-30H,6-8,11,13-19H2,1-5H3/t22-,25+,26+,28-,29+,30+,33+,34-/m1/s1",NZZFKZMKJPWVDL-XBGNAKIGSA-N,C34H48Cl2O2,559.6,558.3031362,12,26.3,884,0,0,2,8,38,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3H-PYRAZOL-3-ONE, 5-[(5-AMINO-2-CHLOROPHENYL)AMINO]-2,4-DIHYDRO-2-(2,4,6-TRICH",053411-33-9,135400181,"5-(5-amino-2-chlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one",C1C(=NC2=C(C=CC(=C2)N)Cl)NN(C1=O)C3=C(C=C(C=C3Cl)Cl)Cl,"InChI=1S/C15H10Cl4N4O/c16-7-3-10(18)15(11(19)4-7)23-14(24)6-13(22-23)21-12-5-8(20)1-2-9(12)17/h1-5H,6,20H2,(H,21,22)",LDWDFXXBUGPHRO-UHFFFAOYSA-N,C15H10Cl4N4O,404.1,403.957922,4.4,70.7,508,0,2,3,2,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-PYRIDINECARBONITRILE, 1,2-DIHYDRO-6-HYDROXY-1,4-DIMETHYL-2-OXO-5-[[3-[(PHENY",059312-61-7,101006,"[3-[(5-cyano-6-hydroxy-1,4-dimethyl-2-oxo-3-pyridinyl)diazenyl]phenyl] benzenesulfonate",CC1=C(C(=O)N(C(=C1C#N)O)C)N=NC2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC=C3,"InChI=1S/C20H16N4O5S/c1-13-17(12-21)19(25)24(2)20(26)18(13)23-22-14-7-6-8-15(11-14)29-30(27,28)16-9-4-3-5-10-16/h3-11,25H,1-2H3",NNRSGUGASARXPY-UHFFFAOYSA-N,C20H16N4O5S,424.4,424.0841408,3.2,141,932,0,1,8,5,30,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-THIOPHENECARBOXYLIC ACID, 4-CYANO-5-[[5-CYANO-2,6-BIS[(3-METHOXYPROPYL)AMINO",072968-71-9,166379,"methyl 4-cyano-5-[[5-cyano-2,6-bis(3-methoxypropylamino)-4-methyl-3-pyridinyl]diazenyl]-3-methylthiophene-2-carboxylate",CC1=C(C(=NC(=C1N=NC2=C(C(=C(S2)C(=O)OC)C)C#N)NCCCOC)NCCCOC)C#N,"InChI=1S/C23H29N7O4S/c1-14-16(12-24)20(26-8-6-10-32-3)28-21(27-9-7-11-33-4)18(14)29-30-22-17(13-25)15(2)19(35-22)23(31)34-5/h6-11H2,1-5H3,(H2,26,27,28)",SRTQDAZYCNOJON-UHFFFAOYSA-N,C23H29N7O4S,499.6,499.2001736,4.6,182,797,0,2,12,14,35,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"12H-DIBENZO[D,G][1,3,2]DIOXAPHOSPHOCIN, 4,8-DICYCLOHEXYL-6-HYDROXY-2,10-DIMETH",073912-21-7,166434,"1,9-dicyclohexyl-11-hydroxy-3,7-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine",CC1=CC2=C(C(=C1)C3CCCCC3)OP(OC4=C(C2)C=C(C=C4C5CCCCC5)C)O,"InChI=1S/C27H35O3P/c1-18-13-22-17-23-14-19(2)16-25(21-11-7-4-8-12-21)27(23)30-31(28)29-26(22)24(15-18)20-9-5-3-6-10-20/h13-16,20-21,28H,3-12,17H2,1-2H3",PFUFEQATNPTGNA-UHFFFAOYSA-N,C27H35O3P,438.5,438.232382,9,38.7,525,0,1,3,2,31,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETAMIDE, N-[2-[(1-BUTYL-4,5-DICYANO-1H-IMIDAZOL-2-YL)AZO]-5-(DIBUTYLAMINO)PH",107689-03-2,86283,"N-[2-[(1-butyl-4,5-dicyanoimidazol-2-yl)diazenyl]-5-(dibutylamino)phenyl]acetamide",CCCCN1C(=C(N=C1N=NC2=C(C=C(C=C2)N(CCCC)CCCC)NC(=O)C)C#N)C#N,"InChI=1S/C25H34N8O/c1-5-8-13-32(14-9-6-2)20-11-12-21(22(16-20)28-19(4)34)30-31-25-29-23(17-26)24(18-27)33(25)15-10-7-3/h11-12,16H,5-10,13-15H2,1-4H3,(H,28,34)",IUCPKGKRKZUBOZ-UHFFFAOYSA-N,C25H34N8O,462.6,462.2855577,5.2,122,745,0,1,7,13,34,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1(3H)-ISOBENZOFURANONE, 4,5,6,7-TETRACHLORO-3,3-BIS[2-[4-(DIMETHYLAMINO)PHENYL",113915-68-7,54137108,"4,5,6,7-tetrachloro-3,3-bis[2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)ethenyl]-2-benzofuran-1-one",CN(C)C1=CC=C(C=C1)C(=CC2(C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)O2)C=C(C4=CC=C(C=C4)N(C)C)C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC,"InChI=1S/C42H36Cl4N2O4/c1-47(2)29-15-7-25(8-16-29)33(27-11-19-31(50-5)20-12-27)23-42(36-35(41(49)52-42)37(43)39(45)40(46)38(36)44)24-34(28-13-21-32(51-6)22-14-28)26-9-17-30(18-10-26)48(3)4/h7-24H,1-6H3",NYMQRLJHQHVCAD-UHFFFAOYSA-N,C42H36Cl4N2O4,774.5,774.139968,12.3,51.2,1180,0,0,6,10,52,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"ACETAMIDE, N-[2-[[4,5-DICYANO-1-(2-PROPENYL)-1H-IMIDAZOL-2-YL]AZO]-5-(DIPROPYL",123590-00-1,3086609,"N-[2-[[(2R,4R,5S)-4,5-dicyano-1-prop-2-enylimidazolidin-2-yl]diazenyl]-5-(dipropylamino)phenyl]acetamide",CCCN(CCC)C1=CC(=C(C=C1)N=N[C@@H]2N[C@H]([C@H](N2CC=C)C#N)C#N)NC(=O)C,"InChI=1S/C22H30N8O/c1-5-10-29(11-6-2)17-8-9-18(19(13-17)25-16(4)31)27-28-22-26-20(14-23)21(15-24)30(22)12-7-3/h7-9,13,20-22,26H,3,5-6,10-12H2,1-2,4H3,(H,25,31)/t20-,21+,22-/m0/s1",WLRXVGSQBMQXKU-BDTNDASRSA-N,C22H30N8O,422.5,422.2542576,3,120,728,0,2,8,10,31,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
IRGAZIN DPP ORANGE 16A,084632-59-7,135739860,"1,4-bis(4-tert-butylphenyl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one",CC(C)(C)C1=CC=C(C=C1)C2=C3C(=C(N2)O)C(=NC3=O)C4=CC=C(C=C4)C(C)(C)C,"InChI=1S/C26H28N2O2/c1-25(2,3)17-11-7-15(8-12-17)21-19-20(24(30)27-21)22(28-23(19)29)16-9-13-18(14-10-16)26(4,5)6/h7-14,27,30H,1-6H3",LUWZMQBKBJUDAU-UHFFFAOYSA-N,C26H28N2O2,400.5,400.2150781,6.7,65.5,670,0,2,2,4,30,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DODECAMETHYLCYCLOHEXASILOXANE,000540-97-6,10911,"2,2,4,4,6,6,8,8,10,10,12,12-dodecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane",C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)C,"InChI=1S/C12H36O6Si6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h1-12H3",IUMSDRXLFWAGNT-UHFFFAOYSA-N,C12H36O6Si6,444.92,444.1127481,,55.4,320,0,0,6,0,24,91 °C (196 °F) - closed cup,245 °C,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,3'-DICYCLOHEXYL-1,1'-METHYLENEBIS(4,1-PHENYLENE)DIUREA",058890-25-8,352756,1-cyclohexyl-3-[4-[[4-(cyclohexylcarbamoylamino)phenyl]methyl]phenyl]urea,C1CCC(CC1)NC(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)NC4CCCCC4,"InChI=1S/C27H36N4O2/c32-26(28-22-7-3-1-4-8-22)30-24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)31-27(33)29-23-9-5-2-6-10-23/h11-18,22-23H,1-10,19H2,(H2,28,30,32)(H2,29,31,33)",SGXPOLBQSKXTKY-UHFFFAOYSA-N,C27H36N4O2,448.6,448.2838264,5.5,82.3,547,0,4,2,6,33,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"N-(3-(1-ETHYL-1-METHYLPROPYL)-5-ISOXAZOLYL)-2,6-DIMETHOXYBENZAMIDE (ISOXABEN)",082558-50-7,73672,"2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide",CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC,"InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)",PMHURSZHKKJGBM-UHFFFAOYSA-N,C18H24N2O4,332.4,332.1736073,3.9,73.6,402,0,1,5,7,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"5,6-Indolinedione, 3-hydroxy-1-methyl-",54-06-8,5898,"3-hydroxy-1-methyl-2,3-dihydroindole-5,6-dione",CN1CC(C2=CC(=O)C(=O)C=C21)O,"InChI=1S/C9H9NO3/c1-10-4-9(13)5-2-7(11)8(12)3-6(5)10/h2-3,9,13H,4H2,1H3",RPHLQSHHTJORHI-UHFFFAOYSA-N,C9H9NO3,179.17,179.0582431,-1.3,57.6,354,0,1,4,0,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,5-Pyrazolidinedione, 1,2-diphenyl-4-(2-(phenylsulfinyl)ethyl)-",57-96-5,5342,"4-[2-(benzenesulfinyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dione",C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCS(=O)C4=CC=CC=C4,"InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2",MBGGBVCUIVRRBF-UHFFFAOYSA-N,C23H20N2O3S,404.5,404.1194637,2.3,76.9,571,0,0,4,6,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanol, 2,2',2'',2'''-((4,8-dipiperidinopyrimido(5,4-d)pyrimidine-2,6-diyl)dinitrilo)tetra-",58-32-2,3108,"2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol",C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO,"InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2",IZEKFCXSFNUWAM-UHFFFAOYSA-N,C24H40N8O4,504.6,504.3172518,0.7,145,561,0,4,12,12,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenesulfonamide, p-(tetrahydro-2H-1,2-thiazin-2-yl)-, dioxide",61-56-3,5356,"4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide",C1CCS(=O)(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N,"InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)",HMHVCUVYZFYAJI-UHFFFAOYSA-N,C10H14N2O4S2,290.4,290.0394993,0.1,114,481,0,1,6,2,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperidinium, 4-(diphenylmethylene)-1,1-dimethyl-, methyl sulfate",62-97-5,6126,"4-benzhydrylidene-1,1-dimethylpiperidin-1-ium;methyl sulfate",C[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)CC1)C.COS(=O)(=O)[O-],"InChI=1S/C20H24N.CH4O4S/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-5-6(2,3)4/h3-12H,13-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",BREMLQBSKCSNNH-UHFFFAOYSA-M,C21H27NO4S,389.5,389.1660795,,74.8,426,0,0,4,2,27,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
Veratridine,71-62-5,6280,"[(1R,2S,6S,9S,10R,11S,12S,14R,15S,18S,19S,22S,23S,25R)-1,10,11,12,14,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 3,4-dimethoxybenzoate",C[C@H]1CC[C@H]2[C@@]([C@]3([C@H](C[C@]4([C@@H]5CC[C@H]6[C@]7([C@]5(C[C@]4([C@@H]3CN2C1)O)O[C@@]6([C@H](CC7)OC(=O)C8=CC(=C(C=C8)OC)OC)O)C)O)O)O)(C)O,"InChI=1S/C36H51NO11/c1-19-6-11-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)10-9-23-30(34,2)13-12-28(36(23,44)48-34)47-29(39)20-7-8-21(45-4)22(14-20)46-5/h7-8,14,19,23-28,38,40-44H,6,9-13,15-18H2,1-5H3/t19-,23-,24-,25-,26-,27-,28-,30-,31+,32+,33+,34+,35-,36-/m0/s1",FVECELJHCSPHKY-YFUMOZOISA-N,C36H51NO11,673.8,673.3462114,1,179,1340,0,6,12,5,48,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"Barbituric acid, 5-allyl-5-(2-cyclopentenyl)-",76-68-6,6454,"5-cyclopent-2-en-1-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione",C=CCC1(C(=O)NC(=O)NC1=O)C2CCC=C2,"InChI=1S/C12H14N2O3/c1-2-7-12(8-5-3-4-6-8)9(15)13-11(17)14-10(12)16/h2-3,5,8H,1,4,6-7H2,(H2,13,14,15,16,17)",XOVJAYNMQDTIJD-UHFFFAOYSA-N,C12H14N2O3,234.25,234.1004423,1.3,75.3,405,0,2,3,3,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4(1H,3H)-Pyridinedione, 3,3-diethyl-",77-04-3,4994,"3,3-diethyl-1H-pyridine-2,4-dione",CCC1(C(=O)C=CNC1=O)CC,"InChI=1S/C9H13NO2/c1-3-9(4-2)7(11)5-6-10-8(9)12/h5-6H,3-4H2,1-2H3,(H,10,12)",NZASCBIBXNPDMH-UHFFFAOYSA-N,C9H13NO2,167.2,167.0946287,1,46.2,239,0,1,2,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Spirosolan-3-ol, (3-beta,5-alpha,22-beta,25S)-",77-59-8,65576,"(1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-ol",C[C@H]1CC[C@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)NC1,"InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1",XYNPYHXGMWJBLV-VXPJTDKGSA-N,C27H45NO2,415.7,415.3450297,6.2,41.5,696,0,2,3,0,30,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Distannthiane, 1,1,1,3,3,3-hexaphenyl-",77-80-5,16682926,triphenyl(triphenylstannylsulfanyl)stannane,C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)S[Sn](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6,InChI=1S/6C6H5.S.2Sn/c6*1-2-4-6-5-3-1;;;/h6*1-5H;;;,NTCQOKPUDSWFJF-UHFFFAOYSA-N,C36H30SSn2,732.1,732.01063,,25.3,550,0,0,1,8,39,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclohexanol, 1,1'-ethynylenedi-",78-54-6,94825,1-[2-(1-hydroxycyclohexyl)ethynyl]cyclohexan-1-ol,C1CCC(CC1)(C#CC2(CCCCC2)O)O,"InChI=1S/C14H22O2/c15-13(7-3-1-4-8-13)11-12-14(16)9-5-2-6-10-14/h15-16H,1-10H2",YMAIXWWPLZFJLA-UHFFFAOYSA-N,C14H22O2,222.32,222.1619799,2.1,40.5,267,0,2,2,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-Dithia-1,3,5,7-tetraazaadamantane, 2,2,6,6-tetraoxide",80-12-6,64148,"2lambda6,6lambda6-dithia-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane 2,2,6,6-tetraoxide",C1N2CN3CN(S2(=O)=O)CN1S3(=O)=O,"InChI=1S/C4H8N4O4S2/c9-13(10)5-1-6-3-8(13)4-7(2-5)14(6,11)12/h1-4H2",AGGKEGLBGGJEBZ-UHFFFAOYSA-N,C4H8N4O4S2,240.3,239.9986971,-1.7,98,378,0,0,8,0,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1,3-Thiazin-4-one, 2-(p-chlorophenyl)tetrahydro-3-methyl-, 1,1,-dioxide",80-77-3,2717,"2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one",CN1C(S(=O)(=O)CCC1=O)C2=CC=C(C=C2)Cl,"InChI=1S/C11H12ClNO3S/c1-13-10(14)6-7-17(15,16)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3",WEQAYVWKMWHEJO-UHFFFAOYSA-N,C11H12ClNO3S,273.74,273.0226421,1.1,62.8,395,0,0,3,1,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,7-Methanoindan, 3a,4,5,6,7,7a-hexahydro-1,2:5,6-diepoxy-",81-21-0,6673,"4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane",C1C2C3CC4C(C3C1C5C2O5)O4,"InChI=1S/C10H12O2/c1-4-3-2-6-10(11-6)7(3)5(1)9-8(4)12-9/h3-10H,1-2H2",BQQUFAMSJAKLNB-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,0.8,25.1,277,0,0,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Anthraquinone, 1,1'-iminodi-",82-22-4,6700,"1-[(9,10-dioxoanthracen-1-yl)amino]anthracene-9,10-dione",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O,"InChI=1S/C28H15NO4/c30-25-15-7-1-3-9-17(15)27(32)23-19(25)11-5-13-21(23)29-22-14-6-12-20-24(22)28(33)18-10-4-2-8-16(18)26(20)31/h1-14,29H",WITKIIIPSSFHST-UHFFFAOYSA-N,C28H15NO4,429.4,429.100108,5.9,80.3,783,0,1,5,2,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Naphthalene-1,2-dicarboxyic acid, 1,2,3,4-tetrahydro-3-methyl-6,7-methylenedioxy-,dipropyl ester",83-59-0,6750,"dipropyl 7-methyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-5,6-dicarboxylate",CCCOC(=O)C1C(CC2=CC3=C(C=C2C1C(=O)OCCC)OCO3)C,"InChI=1S/C20H26O6/c1-4-6-23-19(21)17-12(3)8-13-9-15-16(26-11-25-15)10-14(13)18(17)20(22)24-7-5-2/h9-10,12,17-18H,4-8,11H2,1-3H3",UEKQGZQLUMSLNW-UHFFFAOYSA-N,C20H26O6,362.4,362.1729385,4,71.1,507,0,0,6,8,26,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,7-Phenanthroline-5,6-dione",84-12-8,6764,"4,7-phenanthroline-5,6-dione",C1=CC2=C(C(=O)C(=O)C3=C2C=CC=N3)N=C1,InChI=1S/C12H6N2O2/c15-11-9-7(3-1-5-13-9)8-4-2-6-14-10(8)12(11)16/h1-6H,VLPADTBFADIFKG-UHFFFAOYSA-N,C12H6N2O2,210.19,210.0429274,1.1,59.9,297,0,0,4,0,16,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrimido(5,4-e)-as-triazine-5,7-(1H,6H)-dione, 1,6-dimethyl-",84-82-2,66541,"1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione",CN1C2=NC(=O)N(C(=O)C2=NC=N1)C,"InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3",SLGRAIAQIAUZAQ-UHFFFAOYSA-N,C7H7N5O2,193.16,193.0599745,-0.7,77.7,408,0,0,3,0,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1(5H)-Phenazinone, 5-methyl-",85-66-5,6817,5-methylphenazin-1-one,CN1C2=CC=CC=C2N=C3C1=CC=CC3=O,"InChI=1S/C13H10N2O/c1-15-10-6-3-2-5-9(10)14-13-11(15)7-4-8-12(13)16/h2-8H,1H3",YNCMLFHHXWETLD-UHFFFAOYSA-N,C13H10N2O,210.23,210.0793129,2,32.7,420,0,0,3,0,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-Dithiolo(4.3-b)pyrrol-5(4H)-one, 6-acetamido-4-methyl-",87-11-6,6870,"N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)acetamide",CC(=O)NC1=C2C(=CSS2)N(C1=O)C,"InChI=1S/C8H8N2O2S2/c1-4(11)9-6-7-5(3-13-14-7)10(2)8(6)12/h3H,1-2H3,(H,9,11)",MHMRAFONCSQAIA-UHFFFAOYSA-N,C8H8N2O2S2,228.3,228.0027199,-0.6,100,387,0,1,4,1,14,,152.00 to 156.00 °C. @ 17.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(1,1'-Bicyclohexyl)-2-one",90-42-6,7016,2-cyclohexylcyclohexan-1-one,C1CCC(CC1)C2CCCCC2=O,"InChI=1S/C12H20O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H2",UOBQDYFTAJKQAL-UHFFFAOYSA-N,C12H20O,180.29,180.1514153,3.7,17.1,180,0,0,1,1,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3-((benzylthio)menthyl)-6-chloro-, 1,1-dioxide",91-33-8,2343,"3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide",C1=CC=C(C=C1)CSCC2=NS(=O)(=O)C3=CC(=C(C=C3N2)Cl)S(=O)(=O)N,"InChI=1S/C15H14ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)(H2,17,20,21)",NDTSRXAMMQDVSW-UHFFFAOYSA-N,C15H14ClN3O4S3,431.9,430.9834972,1.7,161,739,0,2,7,5,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Pyridine, 2-((2-(dimethylamino)ethyl)-3-thenylamino)-",91-79-2,7066,"N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine",CN(C)CCN(CC1=CSC=C1)C2=CC=CC=N2,"InChI=1S/C14H19N3S/c1-16(2)8-9-17(11-13-6-10-18-12-13)14-5-3-4-7-15-14/h3-7,10,12H,8-9,11H2,1-2H3",RCGYDFVCAAKKNG-UHFFFAOYSA-N,C14H19N3S,261.39,261.1299688,3,47.6,235,0,0,4,6,18,,169-172 °C @ 1.0 MM HG,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclohexanone, 4-cyclohexyl-",92-68-2,41690,4-cyclohexylcyclohexan-1-one,C1CCC(CC1)C2CCC(=O)CC2,"InChI=1S/C12H20O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h10-11H,1-9H2",JLYNSPSTPQAEAX-UHFFFAOYSA-N,C12H20O,180.29,180.1514153,3.4,17.1,170,0,0,1,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
Acridan,92-81-9,7106,"9,10-dihydroacridine",C1C2=CC=CC=C2NC3=CC=CC=C31,"InChI=1S/C13H11N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8,14H,9H2",HJCUTNIGJHJGCF-UHFFFAOYSA-N,C13H11N,181.23,181.0891494,3.5,12,181,0,1,1,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Disulfide, bis(piperidinothiocarbonyl)",94-37-1,7188,piperidine-1-carbothioylsulfanyl piperidine-1-carbodithioate,C1CCN(CC1)C(=S)SSC(=S)N2CCCCC2,InChI=1S/C12H20N2S4/c15-11(13-7-3-1-4-8-13)17-18-12(16)14-9-5-2-6-10-14/h1-10H2,KNBRWWCHBRQLNY-UHFFFAOYSA-N,C12H20N2S4,320.6,320.0509333,3.4,121,266,0,0,4,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Ammonium, (oxalylbis(iminoethylene))bis((o-chlorobenzyl)diethyl-, dichloride",115-79-7,8288,(2-chlorophenyl)methyl-[2-[[2-[2-[(2-chlorophenyl)methyl-diethylazaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl]-diethylazanium dichloride,CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC2=CC=CC=C2Cl.[Cl-].[Cl-],"InChI=1S/C28H40Cl2N4O2.2ClH/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30;;/h9-16H,5-8,17-22H2,1-4H3;2*1H",DXUUXWKFVDVHIK-UHFFFAOYSA-N,C28H42Cl4N4O2,608.5,608.203237,,58.2,614,0,2,4,14,38,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-hydroxy-4-methyl-, (1R)-",121-40-4,91437,"(1R,6S)-3-hydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione",CC1=C(C(=O)[C@H]2[C@@H](C1=O)O2)O,"InChI=1S/C7H6O4/c1-2-3(8)5(10)7-6(11-7)4(2)9/h6-8H,1H3/t6-,7+/m1/s1",ATFNSNUJZOYXFC-RQJHMYQMSA-N,C7H6O4,154.12,154.0266087,-0.2,66.9,289,0,1,4,0,11,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Oxamide, N,N'-dibenzyldithio-",122-65-6,678653,"N,N'-dibenzylethanedithioamide",C1=CC=C(C=C1)CNC(=S)C(=S)NCC2=CC=CC=C2,"InChI=1S/C16H16N2S2/c19-15(17-11-13-7-3-1-4-8-13)16(20)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)(H,18,20)",KNRMURHAZMNRGD-UHFFFAOYSA-N,C16H16N2S2,300.4,300.0754909,3.4,88.2,286,0,2,2,4,20,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Bufa-4,20,22-trienolide, 3-beta-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-14-hydroxy-",124-99-2,441870,"5-[(3S,8R,9S,10R,13R,14S,17R)-3-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one",C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O,"InChI=1S/C36H52O13/c1-17-31(49-33-29(42)27(40)26(39)24(15-37)48-33)28(41)30(43)32(46-17)47-20-8-11-34(2)19(14-20)5-6-23-22(34)9-12-35(3)21(10-13-36(23,35)44)18-4-7-25(38)45-16-18/h4,7,14,16-17,20-24,26-33,37,39-44H,5-6,8-13,15H2,1-3H3/t17-,20-,21+,22-,23+,24+,26+,27-,28-,29+,30+,31-,32-,33-,34-,35+,36-/m0/s1",NXJOCELNFPGKIV-ARHXXGKOSA-N,C36H52O13,692.8,692.3407917,0.3,205,1370,0,7,13,6,49,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Indolinone, 3,3-bis(p-hydroxyphenyl)-",125-13-3,31315,"3,3-bis(4-hydroxyphenyl)-1H-indol-2-one",C1=CC=C2C(=C1)C(C(=O)N2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O,"InChI=1S/C20H15NO3/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)17-3-1-2-4-18(17)21-19(20)24/h1-12,22-23H,(H,21,24)",SJDACOMXKWHBOW-UHFFFAOYSA-N,C20H15NO3,317.3,317.1051933,3.2,69.6,442,0,3,3,2,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclohexaneglycolic acid, alpha-phenyl-, (1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)methyl ester, monohydrochloride",125-52-0,66061,"(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate;hydrochloride",CN1CCCN=C1COC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O.Cl,"InChI=1S/C20H28N2O3.ClH/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17;/h2,4-5,9-10,17,24H,3,6-8,11-15H2,1H3;1H",WXAYTPABEADAAB-UHFFFAOYSA-N,C20H29ClN2O3,380.9,380.1866705,,62.1,481,0,2,4,6,26,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperidinium, 1-(3-carbamoyl-3,3-diphenylpropyl)-1-methyl-, bromide",125-60-0,71489,"4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide bromide",C[N+]1(CCCCC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N.[Br-],"InChI=1S/C22H28N2O.BrH/c1-24(16-9-4-10-17-24)18-15-22(21(23)25,19-11-5-2-6-12-19)20-13-7-3-8-14-20;/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3,(H-,23,25);1H",PMAHPMMCPXYARU-UHFFFAOYSA-N,C22H29BrN2O,417.4,416.14633,,43.1,411,0,1,2,6,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Anthra(2,1-d:6,5-d')bisthiazole-6,12-dione, 2,8-diphenyl-",129-09-9,31425,"6,16-diphenyl-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),3(11),4(8),6,9,14(18),16,19-octaene-2,12-dione",C1=CC=C(C=C1)C2=NC3=C(S2)C4=C(C=C3)C(=O)C5=C(C4=O)C=CC6=C5SC(=N6)C7=CC=CC=C7,InChI=1S/C28H14N2O2S2/c31-23-18-12-14-20-26(34-28(30-20)16-9-5-2-6-10-16)22(18)24(32)17-11-13-19-25(21(17)23)33-27(29-19)15-7-3-1-4-8-15/h1-14H,GFFQNEGBFFGLQG-UHFFFAOYSA-N,C28H14N2O2S2,474.6,474.04967,7.1,116,744,0,0,6,2,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3,5-Naphthylenetrisulfonic acid, 8,8'-(ureylenebis(m-phenylenecarbonylimino(4-methyl-m-phenylene)carbonylimino))di-, hexasodium salt",129-46-4,8514,"hexasodium;8-[[4-methyl-3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonate",CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C4=CC(=CC=C4)NC(=O)NC5=CC=CC(=C5)C(=O)NC6=C(C=CC(=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C51H40N6O23S6.6Na/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80;;;;;;/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80);;;;;;/q;6*+1/p-6",VAPNKLKDKUDFHK-UHFFFAOYSA-H,C51H34N6Na6O23S6,1429.2,1427.938574,,551,2940,0,6,23,10,92,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Benzamide, N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho(2,3-a:2',3'-i)carbazole-4,9-diyl)bis-",131-92-0,8581,"N-(28-benzamido-6,13,19,26-tetraoxo-16-azaheptacyclo[15.12.0.02,15.05,14.07,12.018,27.020,25]nonacosa-1(29),2(15),3,5(14),7(12),8,10,17,20,22,24,27-dodecaen-8-yl)benzamide",C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C5=C(C=C4)C6=CC(=C7C(=C6N5)C(=O)C8=CC=CC=C8C7=O)NC(=O)C9=CC=CC=C9,"InChI=1S/C42H23N3O6/c46-37-24-14-7-8-15-25(24)38(47)34-33(37)30(44-42(51)22-12-5-2-6-13-22)20-28-23-18-19-27-32(35(23)45-36(28)34)40(49)26-16-9-17-29(31(26)39(27)48)43-41(50)21-10-3-1-4-11-21/h1-20,45H,(H,43,50)(H,44,51)",AAKMSGQPNUGLAZ-UHFFFAOYSA-N,C42H23N3O6,665.6,665.1586855,8.1,142,1450,0,3,6,4,51,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1-alpha-H,5-alpha-H-Tropane, 3-alpha-(diphenylmethoxy)-, methanesulfonate",132-17-2,3246155,"(1R,5S)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane;methanesulfonic acid",CN1[C@@H]2CC[C@H]1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4.CS(=O)(=O)O,"InChI=1S/C21H25NO.CH4O3S/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-5(2,3)4/h2-11,18-21H,12-15H2,1H3;1H3,(H,2,3,4)/t18-,19+,20?;",CPFJLLXFNPCTDW-IIPFOPBBSA-N,C22H29NO4S,403.5,403.1817296,,75.2,433,0,1,5,4,28,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1
"2,2'-Stilbenedisulfonic acid, 4,4'-bis((4,6-dianilino-s-triazin-2-yl)amino)-, disodium salt",133-66-4,6436869,"disodium;5-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate",C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)NC7=CC=CC=C7)S(=O)(=O)[O-])S(=O)(=O)[O-])NC8=CC=CC=C8.[Na+].[Na+],"InChI=1S/C44H36N12O6S2.2Na/c57-63(58,59)37-27-35(49-43-53-39(45-31-13-5-1-6-14-31)51-40(54-43)46-32-15-7-2-8-16-32)25-23-29(37)21-22-30-24-26-36(28-38(30)64(60,61)62)50-44-55-41(47-33-17-9-3-10-18-33)52-42(56-44)48-34-19-11-4-12-20-34;;/h1-28H,(H,57,58,59)(H,60,61,62)(H3,45,46,49,51,53,54)(H3,47,48,50,52,55,56);;/q;2*+1/p-2/b22-21+;;",HOSFCSQXJQXSIQ-ZPZFBZIMSA-L,C44H34N12Na2O6S2,936.9,936.1961078,,281,1460,0,6,18,14,66,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Morpholinium, 4-(3-hydroxy-3-phenyl-3-(2-thienyl)propyl)-4-methyl-, iodide",144-12-7,72142,3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol iodide,C[N+]1(CCOCC1)CCC(C2=CC=CC=C2)(C3=CC=CS3)O.[I-],"InChI=1S/C18H24NO2S.HI/c1-19(11-13-21-14-12-19)10-9-18(20,17-8-5-15-22-17)16-6-3-2-4-7-16;/h2-8,15,20H,9-14H2,1H3;1H/q+1;/p-1",IOFXEUZPIIUQAG-UHFFFAOYSA-M,C18H24INO2S,445.4,445.05725,,57.7,353,0,1,4,5,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenepropanamine, N-ethyl-N-(3-phenylpropyl)-",150-59-4,3678,N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine,CCN(CCCC1=CC=CC=C1)CCCC2=CC=CC=C2,"InChI=1S/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3",ZPFXAOWNKLFJDN-UHFFFAOYSA-N,C20H27N,281.4,281.2143499,5.3,3.2,214,0,0,1,9,21,,165-168 °C @ 0.3 MM HG,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Cycloguanil hydrochloride,152-53-4,9048,"1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride",CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C.Cl,"InChI=1S/C11H14ClN5.ClH/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8;/h3-6H,1-2H3,(H4,13,14,15,16);1H",MOUAPRKJJUXEIE-UHFFFAOYSA-N,C11H15Cl2N5,288.17,287.0704509,,80,355,0,3,1,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
1-Azaspiro(4.5)decane,176-80-7,9092,1-azaspiro[4.5]decane,C1CCC2(CC1)CCCN2,"InChI=1S/C9H17N/c1-2-5-9(6-3-1)7-4-8-10-9/h10H,1-8H2",LGKNCSVHCNCJQG-UHFFFAOYSA-N,C9H17N,139.24,139.1360995,1.9,12,114,0,1,1,0,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1
1-Oxaspiro(2.5)octane,185-70-6,9100,1-oxaspiro[2.5]octane,C1CCC2(CC1)CO2,InChI=1S/C7H12O/c1-2-4-7(5-3-1)6-8-7/h1-6H2,VUEWYZJJYGPJDC-UHFFFAOYSA-N,C7H12O,112.17,112.088815,1.5,12.5,92,0,0,1,0,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1,6-Dioxaspiro(2.5)octane",185-72-8,160439,"1,6-dioxaspiro[2.5]octane",C1COCCC12CO2,InChI=1S/C6H10O2/c1-3-7-4-2-6(1)5-8-6/h1-5H2,DMADJUKSPHZYSK-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,0.1,21.8,94,0,0,2,0,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"Phenaleno(1,9-gh)quinoline",189-92-4,12435805,"pyreno[1,2-b]pyridine",C1=CC2=C3C(=C1)C=CC4=C5C(=CC(=C43)C=C2)C=CC=N5,InChI=1S/C19H11N/c1-3-12-6-7-14-11-15-5-2-10-20-19(15)16-9-8-13(4-1)17(12)18(14)16/h1-11H,BYFIUFNRSNKODH-UHFFFAOYSA-N,C19H11N,253.3,253.0891494,5.3,12.9,378,0,0,1,0,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
Benzo(c)chrysene,194-69-4,9135,"pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene",C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C5=CC=CC=C5C=C4,InChI=1S/C22H14/c1-3-7-18-15(5-1)11-14-21-20(18)13-12-17-10-9-16-6-2-4-8-19(16)22(17)21/h1-14H,YZWGEMSQAMDWEM-UHFFFAOYSA-N,C22H14,278.3,278.1095504,7,0,399,0,0,0,0,22,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Benzo(g)chrysene,196-78-1,9140,"pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene",C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C5=CC=CC=C35,InChI=1S/C22H14/c1-2-8-16-15(7-1)13-14-21-19-11-4-3-9-17(19)18-10-5-6-12-20(18)22(16)21/h1-14H,JZOIZKBKSZMVRV-UHFFFAOYSA-N,C22H14,278.3,278.1095504,7,0,399,0,0,0,0,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Benzo(ghi)fluoranthene,203-12-3,9144,"pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene",C1=CC2=C3C(=C1)C4=CC=CC5=C4C3=C(C=C2)C=C5,InChI=1S/C18H10/c1-3-11-7-9-13-10-8-12-4-2-6-15-14(5-1)16(11)18(13)17(12)15/h1-10H,YEIHPPOCKIHUQJ-UHFFFAOYSA-N,C18H10,226.3,226.0782503,5.4,0,314,0,0,0,0,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
Perimidine,204-02-4,120189,1H-perimidine,C1=CC2=C3C(=C1)NC=NC3=CC=C2,"InChI=1S/C11H8N2/c1-3-8-4-2-6-10-11(8)9(5-1)12-7-13-10/h1-7H,(H,12,13)",AAQTWLBJPNLKHT-UHFFFAOYSA-N,C11H8N2,168.19,168.0687483,2.1,24.4,224,0,1,1,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
7H-Benzo(c)fluorene,205-12-9,9150,7H-benzo[c]fluorene,C1C2=C(C3=CC=CC=C31)C4=CC=CC=C4C=C2,"InChI=1S/C17H12/c1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)17(14)15/h1-10H,11H2",FRIJWEQBTIZQMD-UHFFFAOYSA-N,C17H12,216.28,216.0939004,5.7,0,282,0,0,0,0,17,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzo(b)naphtho(1,2-d)furan",205-39-0,268932,"naphtho[2,1-b][1]benzofuran",C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4O3,InChI=1S/C16H10O/c1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15/h1-10H,XVWNNQQHTXDOLJ-UHFFFAOYSA-N,C16H10O,218.25,218.0731649,5.4,13.1,287,0,0,1,0,17,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"5H-1,3-Dioxolo(4,5-f)indole",267-48-1,9218,"8aH-[1,3]dioxolo[4,5-f]indole",C1OC2C=C3C=CN=C3C=C2O1,"InChI=1S/C9H7NO2/c1-2-10-7-4-9-8(3-6(1)7)11-5-12-9/h1-4,8H,5H2",BGUGGEACYAZDOQ-UHFFFAOYSA-N,C9H7NO2,161.16,161.0476785,0.3,30.8,350,0,0,3,0,12,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrrolo(3,2-c)pyridine",271-34-1,9220,"1H-pyrrolo[3,2-c]pyridine",C1=CNC2=C1C=NC=C2,"InChI=1S/C7H6N2/c1-4-9-7-2-3-8-5-6(1)7/h1-5,9H",SRSKXJVMVSSSHB-UHFFFAOYSA-N,C7H6N2,118.14,118.0530982,1,28.7,103,0,1,1,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thieno(3,2-c)pyridine",272-14-0,67500,"thieno[3,2-c]pyridine",C1=CN=CC2=C1SC=C2,InChI=1S/C7H5NS/c1-3-8-5-6-2-4-9-7(1)6/h1-5H,MKYRMMMSZSVIGD-UHFFFAOYSA-N,C7H5NS,135.19,135.0142703,1.9,41.1,105,0,0,2,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrrolo(3,2-b)pyridine",272-49-1,9226,"1H-pyrrolo[3,2-b]pyridine",C1=CC2=C(C=CN2)N=C1,"InChI=1S/C7H6N2/c1-2-6-7(8-4-1)3-5-9-6/h1-5,9H",XWIYUCRMWCHYJR-UHFFFAOYSA-N,C7H6N2,118.14,118.0530982,1.1,28.7,103,0,1,1,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Tetracyclo(3.2.0.0(sup 2,7).0(sup 4,6))heptane",278-06-8,78961,"tetracyclo[3.2.0.02,7.04,6]heptane",C1C2C3C2C4C1C34,"InChI=1S/C7H8/c1-2-4-5(2)7-3(1)6(4)7/h2-7H,1H2",DGZUEIPKRRSMGK-UHFFFAOYSA-N,C7H8,92.14,92.06260026,1.4,0,127,0,0,0,0,7,,,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-",301-19-9,5281693,"5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one",C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O)O,"InChI=1S/C33H40O19/c1-10-19(36)23(40)26(43)31(47-10)46-9-17-21(38)25(42)28(45)33(51-17)52-30-22(39)18-15(35)7-14(49-32-27(44)24(41)20(37)11(2)48-32)8-16(18)50-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-28,31-38,40-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21-,23+,24+,25-,26+,27+,28+,31+,32-,33-/m0/s1",PEFASEPMJYRQBW-HKWQTAEVSA-N,C33H40O19,740.7,740.216379,-2.2,304,1260,0,11,19,8,52,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-Benzo(a)quinolizin-2-ol, 2-ethyl-1,3,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-",303-75-3,9345,"2-ethyl-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ol",CCC1(CC2C3=CC(=C(C=C3CCN2CC1CC(C)C)OC)OC)O,"InChI=1S/C21H33NO3/c1-6-21(23)12-18-17-11-20(25-5)19(24-4)10-15(17)7-8-22(18)13-16(21)9-14(2)3/h10-11,14,16,18,23H,6-9,12-13H2,1-5H3",TUNMGCULOKMBNJ-UHFFFAOYSA-N,C21H33NO3,347.5,347.2460439,3.9,41.9,443,0,1,4,5,25,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Morpholinium, 2,2'-(4,4'-biphenylylene)bis(2-hydroxy-4,4-dimethyl-, dibromide",312-45-8,9399,"2-[4-[4-(2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl)phenyl]phenyl]-4,4-dimethylmorpholin-4-ium-2-ol dibromide",C[N+]1(CCOC(C1)(C2=CC=C(C=C2)C3=CC=C(C=C3)C4(C[N+](CCO4)(C)C)O)O)C.[Br-].[Br-],"InChI=1S/C24H34N2O4.2BrH/c1-25(2)13-15-29-23(27,17-25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)24(28)18-26(3,4)14-16-30-24;;/h5-12,27-28H,13-18H2,1-4H3;2*1H/q+2;;/p-2",OPYKHUMNFAMIBL-UHFFFAOYSA-L,C24H34Br2N2O4,574.3,574.08648,,58.9,544,0,2,6,3,32,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"11H-Dibenzo(b,e)(1,4)diazepin-11-one, 5,10-dihydro-10-(2-(dimethylamino)ethyl)-5-methyl-,monohydrochloride",315-80-0,443945,"5-[2-(dimethylamino)ethyl]-11-methylbenzo[b][1,4]benzodiazepin-6-one;hydrochloride",CN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)CCN(C)C.Cl,"InChI=1S/C18H21N3O.ClH/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22;/h4-11H,12-13H2,1-3H3;1H",RJPZIQRLRMWPRF-UHFFFAOYSA-N,C18H22ClN3O,331.8,331.14514,,26.8,398,0,1,3,3,23,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrido(2,3-b)pyrazine",322-46-3,67580,"pyrido[2,3-b]pyrazine",C1=CC2=NC=CN=C2N=C1,InChI=1S/C7H5N3/c1-2-6-7(9-3-1)10-5-4-8-6/h1-5H,YEYHFKBVNARCNE-UHFFFAOYSA-N,C7H5N3,131.13,131.0483472,0,38.7,115,0,0,3,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Androst-4-ene-3,11,17-trione",382-45-6,223997,"(8S,9S,10R,13S,14S)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione",C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CCC4=O)C,"InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,17H,3-8,10H2,1-2H3/t13-,14-,17+,18-,19-/m0/s1",RZRPTBIGEANTGU-IRIMSJTPSA-N,C19H24O3,300.4,300.1725446,1.6,51.2,616,0,0,3,0,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"as-Triazin-5-ol, 3-mercapto-6-phenyl-",447-00-7,732514,"6-phenyl-3-sulfanylidene-2H-1,2,4-triazin-5-one",C1=CC=C(C=C1)C2=NNC(=S)NC2=O,"InChI=1S/C9H7N3OS/c13-8-7(11-12-9(14)10-8)6-4-2-1-3-5-6/h1-5H,(H2,10,12,13,14)",WAQGGKJKDGJEEA-UHFFFAOYSA-N,C9H7N3OS,205.24,205.030983,1.3,85.6,294,0,2,3,1,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrylium, 2,4,6-triphenyl-, tetrafluoroborate(1-)",448-61-3,9930615,"2,4,6-triphenylpyrylium tetrafluoroborate",[B-](F)(F)(F)F.C1=CC=C(C=C1)C2=CC(=[O+]C(=C2)C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C23H17O.BF4/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20;2-1(3,4)5/h1-17H;/q+1;-1",VQYPWMWEJGDSTF-UHFFFAOYSA-N,C23H17BF4O,396.2,396.130858,,1,353,0,0,5,3,29,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-Naphtho(1,8-bc)furan-2-one, 6-(2-(3-furanyl)ethyl)decahydro-6-hydroxy-2a,5a,7-trimethyl-, (2aS,5aS,6R,7R,8aR,8bR)-",465-92-9,73401,"(1R,4S,8S,9R,10R,12R)-9-[2-(furan-3-yl)ethyl]-9-hydroxy-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one",C[C@@H]1C[C@@H]2[C@H]3[C@](CCC[C@@]3([C@]1(CCC4=COC=C4)O)C)(C(=O)O2)C,"InChI=1S/C20H28O4/c1-13-11-15-16-18(2,17(21)24-15)7-4-8-19(16,3)20(13,22)9-5-14-6-10-23-12-14/h6,10,12-13,15-16,22H,4-5,7-9,11H2,1-3H3/t13-,15-,16+,18+,19+,20-/m1/s1",HQLLRHCTVDVUJB-OBHOOXMTSA-N,C20H28O4,332.4,332.1987594,3.7,59.7,534,0,1,4,3,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Spirostan-12-one, 3-hydroxy-, (3-beta,5-alpha,25R)-",467-55-0,91453,"(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one",C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C(=O)C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1,"InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,24+,25+,26-,27-/m1/s1",QOLRLLFJMZLYQJ-LOBDNJQFSA-N,C27H42O4,430.6,430.3083098,4.8,55.8,766,0,1,4,0,31,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
Lupulone,468-28-0,68051,"3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one",CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O,"InChI=1S/C26H38O4/c1-16(2)9-10-20-23(28)22(21(27)15-19(7)8)25(30)26(24(20)29,13-11-17(3)4)14-12-18(5)6/h9,11-12,19,28-29H,10,13-15H2,1-8H3",LSDULPZJLTZEFD-UHFFFAOYSA-N,C26H38O4,414.6,414.2770097,6.7,74.6,812,0,2,4,9,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Spiro(9H-benzo(a)fluorene-9,2'(3'H)-furo(3,2-b)-pyridin)-11(1H)-one,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11a,11b-hexadecahydro-3-hydroxy-3',6',10,11b-tetramethyl-",469-59-0,10098,"(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one",C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5C(=O)C4=C3C)C)O)C)NC1,"InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1",CLEXYFLHGFJONT-DNMILWOZSA-N,C27H39NO3,425.6,425.2929941,2.9,58.6,876,0,2,4,0,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Eudesma-4(14),11(13)-dien-12-oic acid, 8-beta-hydroxy-, gamma-lactone",470-17-7,73285,"(3aR,4aS,8aR,9aR)-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one",C[C@]12CCCC(=C)[C@@H]1C[C@H]3[C@@H](C2)OC(=O)C3=C,"InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11-13H,1-2,4-8H2,3H3/t11-,12+,13-,15-/m1/s1",CVUANYCQTOGILD-QVHKTLOISA-N,C15H20O2,232.32,232.1463299,3.4,26.3,409,0,0,2,0,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"3-Cyclohexen-1-one, 3,5,5-trimethyl-",471-01-2,10108,"3,5,5-trimethylcyclohex-3-en-1-one",CC1=CC(CC(=O)C1)(C)C,"InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h5H,4,6H2,1-3H3",LKOKKQDYMZUSCG-UHFFFAOYSA-N,C9H14O,138.21,138.1044651,1.6,17.1,187,0,0,1,0,10,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"2,6,10-Cycloundecatrien-1-one, 2,6,9,9-tetramethyl-, (E,E,E)-",471-05-6,5470187,"(2E,6E,10E)-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one",C/C/1=C\CC(/C=C/C(=O)/C(=C/CC1)/C)(C)C,"InChI=1S/C15H22O/c1-12-6-5-7-13(2)14(16)9-11-15(3,4)10-8-12/h7-9,11H,5-6,10H2,1-4H3/b11-9+,12-8+,13-7+",GIHNTRQPEMKFKO-SKTNYSRSSA-N,C15H22O,218.33,218.1670653,3.9,17.1,354,0,0,1,0,16,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Noraporphin-7-one, 4,5,6,6a-tetradehydro-1,2-(methylenedioxy)-",475-75-2,10144,"3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one",C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53,"InChI=1S/C17H9NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-7H,8H2",MUMCCPUVOAUBAN-UHFFFAOYSA-N,C17H9NO3,275.26,275.0582431,3.4,48.4,453,0,0,4,0,21,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(delta(sup 2,3')-Biindoline)-2',3-dione",479-41-4,10177,2-(2-hydroxy-1H-indol-3-yl)indol-3-one,C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=O,"InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,18,20H",JNLNPCNGMHKCKO-UHFFFAOYSA-N,C16H10N2O2,262.26,262.0742276,2.7,65.5,448,0,2,3,1,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Senecionan-11,16-dione, 20-chloro-15,20-dihydro-12,15-dihydroxy-, (15-alpha,20R)-",480-75-1,5351515,"(1R,4R,6R,7R,17R)-4-[(1R)-1-chloroethyl]-4,7-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione",C[C@@H]1C[C@@](C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]1(C)O)([C@@H](C)Cl)O,"InChI=1S/C18H26ClNO6/c1-10-8-18(24,11(2)19)16(22)26-13-5-7-20-6-4-12(14(13)20)9-25-15(21)17(10,3)23/h4,10-11,13-14,23-24H,5-9H2,1-3H3/t10-,11-,13-,14-,17-,18+/m1/s1",CKPJPJSVQMEGBC-YLFNNMARSA-N,C18H26ClNO6,387.9,387.1448652,0.6,96.3,639,0,2,7,1,26,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Berbine, 13,13a-didehydro-9,10-dimethoxy-2,3-(methylenedioxy)-",483-15-8,10217,"16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene",COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2)OCO5)OC,"InChI=1S/C20H19NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-9H,5-6,10-11H2,1-2H3",FZAGOOYMTPGPGF-UHFFFAOYSA-N,C20H19NO4,337.4,337.1314081,3.5,40.2,538,0,0,5,2,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrimido(5,4-e)-as-triazine-5,7(6H,8H)-dione, 6,8-dimethyl-",483-57-8,249646,"6,8-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione",CN1C2=C(C(=O)N(C1=O)C)N=CN=N2,"InChI=1S/C7H7N5O2/c1-11-5-4(8-3-9-10-5)6(13)12(2)7(11)14/h3H,1-2H3",RRTKVYSLIGQWCO-UHFFFAOYSA-N,C7H7N5O2,193.16,193.0599745,-1.2,79.3,281,0,0,5,0,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Propanedione, 1-(4-methoxy-5-benzofuranyl)-3-phenyl-",484-33-3,689051,"1-(4-methoxy-1-benzofuran-5-yl)-3-phenylpropane-1,3-dione",COC1=C(C=CC2=C1C=CO2)C(=O)CC(=O)C3=CC=CC=C3,"InChI=1S/C18H14O4/c1-21-18-13(7-8-17-14(18)9-10-22-17)16(20)11-15(19)12-5-3-2-4-6-12/h2-10H,11H2,1H3",XTLSKKJNOIMMBK-UHFFFAOYSA-N,C18H14O4,294.3,294.0892089,3.5,56.5,413,0,0,4,5,22,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
Lupinine,486-70-4,91461,"[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol",C1CCN2CCC[C@H]([C@H]2C1)CO,"InChI=1S/C10H19NO/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h9-10,12H,1-8H2/t9-,10+/m0/s1",HDVAWXXJVMJBAR-VHSXEESVSA-N,C10H19NO,169.26,169.1466642,1.2,23.5,149,0,1,2,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ethylenediamine, N,N-dimethyl-N'-phenyl-N'-2-thenyl-",493-78-7,10306,"N,N-dimethyl-N'-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine",CN(C)CCN(CC1=CC=CS1)C2=CC=CC=C2,"InChI=1S/C15H20N2S/c1-16(2)10-11-17(13-15-9-6-12-18-15)14-7-4-3-5-8-14/h3-9,12H,10-11,13H2,1-2H3",LDYJXVUOVPVZKA-UHFFFAOYSA-N,C15H20N2S,260.4,260.1347198,3.3,34.7,227,0,0,3,6,18,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"2H-Pyran-2-one, 4-methoxy-6-(p-methoxystyryl)-",500-62-9,5281575,4-methoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyran-2-one,COC1=CC=C(C=C1)/C=C/C2=CC(=CC(=O)O2)OC,"InChI=1S/C15H14O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-10H,1-2H3/b8-5+",XLHIYUYCSMZCCC-VMPITWQZSA-N,C15H14O4,258.27,258.0892089,2.7,44.8,412,0,0,4,4,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Aconitane-3,8,13,14,15-pentol, 20-ethyl-4-(methoxymethyl)-1,16,16-trimethoxy-,(1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-",509-20-6,20054813,"(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,7,8,14-pentol",CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6O)([C@H]([C@@H]5O)OC)O)O)OC)OC)O)COC,"InChI=1S/C25H41NO9/c1-6-26-9-22(10-32-2)12(27)7-13(33-3)24-11-8-23(30)19(28)14(11)25(31,20(29)21(23)35-5)15(18(24)26)16(34-4)17(22)24/h11-21,27-31H,6-10H2,1-5H3/t11-,12-,13+,14-,15+,16+,17-,18?,19-,20+,21+,22+,23-,24+,25-/m1/s1",SQMGCPHFHQGPIF-JIOYIOPFSA-N,C25H41NO9,499.6,499.2781319,-2.5,141,878,0,5,10,6,35,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Echinomycin,512-64-1,6857732,"N-[(1R,4S,7R,11S,14R,17S,20R,24S)-2,4,12,15,17,25-hexamethyl-27-methylsulfanyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide",C[C@H]1C(=O)N([C@H]2CSC([C@@H](C(=O)N([C@H](C(=O)OC[C@H](C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)C)N(C(=O)[C@@H](NC(=O)[C@@H](COC(=O)[C@@H](N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)SC)C,"InChI=1S/C51H64N12O12S2/c1-25(2)38-49(72)74-22-36(59-42(65)34-21-53-30-17-13-15-19-32(30)57-34)44(67)55-28(6)46(69)63(10)40-48(71)62(9)39(26(3)4)50(73)75-23-35(58-41(64)33-20-52-29-16-12-14-18-31(29)56-33)43(66)54-27(5)45(68)60(7)37(47(70)61(38)8)24-77-51(40)76-11/h12-21,25-28,35-40,51H,22-24H2,1-11H3,(H,54,66)(H,55,67)(H,58,64)(H,59,65)/t27-,28-,35+,36+,37-,38-,39-,40+,51?/m0/s1",AUJXLBOHYWTPFV-VITLIGDRSA-N,C51H64N12O12S2,1101.3,1100.420808,2.7,352,2200,0,4,18,7,77,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Estra-1,3,5,7,9-pentaen-17-one, 3-hydroxy-",517-09-9,444865,"(13S,14S)-3-hydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one",C[C@]12CCC3=C([C@@H]1CCC2=O)C=CC4=C3C=CC(=C4)O,"InChI=1S/C18H18O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16,19H,6-9H2,1H3/t16-,18-/m0/s1",PDRGHUMCVRDZLQ-WMZOPIPTSA-N,C18H18O2,266.3,266.1306798,3.5,37.3,418,0,1,2,0,20,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H,5H-Pyrano(3,2-c)(1)benzopyran-5-one, 3,4-dihydro-2-methoxy-2-methyl-4-phenyl-",518-20-7,10606,"2-methoxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one",CC1(CC(C2=C(O1)C3=CC=CC=C3OC2=O)C4=CC=CC=C4)OC,"InChI=1S/C20H18O4/c1-20(22-2)12-15(13-8-4-3-5-9-13)17-18(24-20)14-10-6-7-11-16(14)23-19(17)21/h3-11,15H,12H2,1-2H3",ZGFASEKBKWVCGP-UHFFFAOYSA-N,C20H18O4,322.4,322.1205091,3.7,44.8,534,0,0,4,2,24,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Delta(sup 2(5H),alpha)-furanacetic acid, 3-hydroxy-5-oxo-alpha,4-diphenyl-, methyl ester",521-52-8,54690323,methyl (2E)-2-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-2-phenylacetate,COC(=O)/C(=C/1\C(=C(C(=O)O1)C2=CC=CC=C2)O)/C3=CC=CC=C3,"InChI=1S/C19H14O5/c1-23-18(21)15(13-10-6-3-7-11-13)17-16(20)14(19(22)24-17)12-8-4-2-5-9-12/h2-11,20H,1H3/b17-15+",OMZRMXULWNMRAE-BMRADRMJSA-N,C19H14O5,322.3,322.0841235,3,72.8,575,0,1,5,4,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-Furo(2,3-h)-1-benzopyran-4-one, 3-methoxy-2-phenyl-",521-88-0,100633,"3-methoxy-2-phenylfuro[2,3-h]chromen-4-one",COC1=C(OC2=C(C1=O)C=CC3=C2C=CO3)C4=CC=CC=C4,"InChI=1S/C18H12O4/c1-20-18-15(19)13-7-8-14-12(9-10-21-14)17(13)22-16(18)11-5-3-2-4-6-11/h2-10H,1H3",LKPQNZRGGNOPPU-UHFFFAOYSA-N,C18H12O4,292.3,292.0735589,3.8,48.7,477,0,0,4,2,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-Furo(2,3-h)(1)benzopyran-2-one",523-50-2,10658,"furo[2,3-h]chromen-2-one",C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3,InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H,XDROKJSWHURZGO-UHFFFAOYSA-N,C11H6O3,186.16,186.031694,2,39.4,284,0,0,3,0,14,,360.00 to 362.00 °C. @ 760.00 mm Hg,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2-methyl-5-(phenylmethyl)-",524-81-2,22530,"5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole",CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4,"InChI=1S/C19H20N2/c1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3",FQQIIPAOSKSOJM-UHFFFAOYSA-N,C19H20N2,276.4,276.1626486,3.5,8.2,349,0,0,1,2,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Benzodioxole, 5-(4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-, (1S,3aR,4R,6aR)-",526-07-8,101746,"5-[[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole",C1[C@H]2[C@H](CO[C@@H]2OC3=CC4=C(C=C3)OCO4)[C@H](O1)C5=CC6=C(C=C5)OCO6,"InChI=1S/C20H18O7/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)27-12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1",ZZMNWJVJUKMZJY-AFHBHXEDSA-N,C20H18O7,370.4,370.1052529,3,64.6,544,0,0,7,3,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,2-Propanediol, 3-piperidino-, dicarbanilate, hydrochloride",537-12-2,10830,[2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate;hydrochloride,C1CCN(CC1)CC(COC(=O)NC2=CC=CC=C2)OC(=O)NC3=CC=CC=C3.Cl,"InChI=1S/C22H27N3O4.ClH/c26-21(23-18-10-4-1-5-11-18)28-17-20(16-25-14-8-3-9-15-25)29-22(27)24-19-12-6-2-7-13-19;/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,23,26)(H,24,27);1H",OWULVAZDMWJBLB-UHFFFAOYSA-N,C22H28ClN3O4,433.9,433.1768341,,79.9,498,0,3,5,9,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Naphtho(2,3-b)furan-2(3H)-one, 3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-3-methylene-, (3aR,5S,8aR,9aR)-",546-43-0,72724,"(3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one",C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)C3=C)C,"InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11+,13+,15+/m0/s1",PXOYOCNNSUAQNS-AGNJHWRGSA-N,C15H20O2,232.32,232.1463299,3.7,26.3,421,0,0,2,0,17,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"7H-Isobenzofuro(4,5-b)(1,4)benzodioxepin-11-carboxaldehyde, 1,3-dihydro-1,4-dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-",549-06-4,73677,"13,17-dihydroxy-5-methoxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde",CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3C)O)C(=O)OC4O)C=O)OC,"InChI=1S/C19H14O9/c1-6-4-9(25-3)8(5-20)15-10(6)17(22)27-14-7(2)13(21)11-12(16(14)26-15)19(24)28-18(11)23/h4-5,19,21,24H,1-3H3",SKCUFZLDTAYNBZ-UHFFFAOYSA-N,C19H14O9,386.3,386.063782,2.2,129,666,0,2,9,2,28,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"1H-Cycloprop(e)azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, (1aR,4S,4aS,7R,7aS,7bS)-",552-02-3,11996452,"(1aR,4S,4aS,7R,7aS,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol",C[C@@H]1CC[C@H]2[C@@H]1[C@H]3[C@H](C3(C)C)CC[C@]2(C)O,"InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12-,13-,15+/m1/s1",AYXPYQRXGNDJFU-IMNVLQEYSA-N,C15H26O,222.37,222.1983654,3.7,20.2,309,0,1,1,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,4-Phenanthrenedione",569-15-3,98574,"phenanthrene-1,4-dione",C1=CC=C2C(=C1)C=CC3=C2C(=O)C=CC3=O,InChI=1S/C14H8O2/c15-12-7-8-13(16)14-10-4-2-1-3-9(10)5-6-11(12)14/h1-8H,POZPGRADIOPGIR-UHFFFAOYSA-N,C14H8O2,208.21,208.0524295,2.7,34.1,356,0,0,2,0,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2(1H)-Isoquinolinecarboxamidine, 3,4-dihydro-, sulfate (2:1)",581-88-4,11391,"bis(3,4-dihydro-1H-isoquinoline-2-carboximidamide);sulfuric acid",C1CN(CC2=CC=CC=C21)C(=N)N.C1CN(CC2=CC=CC=C21)C(=N)N.OS(=O)(=O)O,"InChI=1S/2C10H13N3.H2O4S/c2*11-10(12)13-6-5-8-3-1-2-4-9(8)7-13;1-5(2,3)4/h2*1-4H,5-7H2,(H3,11,12);(H2,1,2,3,4)",CAYGYVYWRIHZCQ-UHFFFAOYSA-N,C20H28N6O4S,448.5,448.1892746,,189,284,0,6,6,2,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Hydantoin, 5-benzylidene-2-thio-",583-46-0,687302,(5E)-5-benzylidene-2-sulfanylideneimidazolidin-4-one,C1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)N2,"InChI=1S/C10H8N2OS/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)/b8-6+",YXMBDTHHYFCMKP-SOFGYWHQSA-N,C10H8N2OS,204.25,204.0357341,1.7,73.2,292,0,2,2,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-phenethyl-",587-63-3,10220256,"(2S)-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one",COC1=CC(=O)O[C@H](C1)CCC2=CC=CC=C2,"InChI=1S/C14H16O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t12-/m0/s1",VOOYTQRREPYRIW-LBPRGKRZSA-N,C14H16O3,232.27,232.1099444,2.8,35.5,290,0,0,3,4,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Cyclopentanedicarboxylic anhydride, 1,2,2-trimethyl-, (+)-",595-31-3,11788648,"(1S,5R)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione",C[C@]12CC[C@H](C1(C)C)C(=O)OC2=O,"InChI=1S/C10H14O3/c1-9(2)6-4-5-10(9,3)8(12)13-7(6)11/h6H,4-5H2,1-3H3/t6-,10+/m0/s1",VFZDNKRDYPTSTP-QUBYGPBYSA-N,C10H14O3,182.22,182.0942943,1.8,43.4,293,0,0,3,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Naphthalenepropanol, alpha-ethenyldecahydro-alpha,5,5,8a-tetramethyl-2-methylene-, (alpha-R,1S,4aS,8aS)-",596-85-0,3034394,"(3R)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-1-en-3-ol",C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2CC[C@](C)(C=C)O)(C)C,"InChI=1S/C20H34O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,16-17,21H,1-2,8-14H2,3-6H3/t16-,17-,19-,20+/m0/s1",CECREIRZLPLYDM-QGZVKYPTSA-N,C20H34O,290.5,290.2609657,5.7,20.2,422,0,1,1,4,21,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propiophenone, 3,3-diphenyl-",606-86-0,69079,"1,3,3-triphenylpropan-1-one",C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C21H18O/c22-21(19-14-8-3-9-15-19)16-20(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,20H,16H2",WYRBITQXPQGTBL-UHFFFAOYSA-N,C21H18O,286.4,286.1357652,4.9,17.1,312,0,0,1,5,22,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Theophylline, 8-chloro-, compd. with 4-(diphenylmethoxy)-1-methylpiperidine (1:1)",606-90-6,71640,"4-benzhydryloxy-1-methylpiperidine;8-chloro-1,3-dimethyl-7H-purine-2,6-dione",CN1CCC(CC1)OC(C2=CC=CC=C2)C3=CC=CC=C3.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl,"InChI=1S/C19H23NO.C7H7ClN4O2/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h2-11,18-19H,12-15H2,1H3;1-2H3,(H,9,10)",JSNIFGPPGAINSG-UHFFFAOYSA-N,C26H30ClN5O3,496,495.2037175,,81.8,565,0,1,5,4,35,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Naphthalene, 2-(phenylmethoxy)-",613-62-7,123080,2-phenylmethoxynaphthalene,C1=CC=C(C=C1)COC2=CC3=CC=CC=C3C=C2,"InChI=1S/C17H14O/c1-2-6-14(7-3-1)13-18-17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2",WLTCCDHHWYAMCG-UHFFFAOYSA-N,C17H14O,234.29,234.1044651,5,9.2,244,0,0,1,3,18,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Morpholine, 4-(3-(p-butoxyphenoxy)propyl)-, hydrochloride",637-58-1,73957,4-[3-(4-butoxyphenoxy)propyl]morpholine;hydrochloride,CCCCOC1=CC=C(C=C1)OCCCN2CCOCC2.Cl,"InChI=1S/C17H27NO3.ClH/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18;/h5-8H,2-4,9-15H2,1H3;1H",SYCBXBCPLUFJID-UHFFFAOYSA-N,C17H28ClNO3,329.9,329.1757714,,30.9,248,0,1,4,9,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-beta-Chol-8(14)-en-24-oic acid, 3-alpha,12-alpha-dihydroxy-",641-81-6,101818,"(4R)-4-[(3R,5R,9R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",C[C@H](CCC(=O)O)[C@H]1CCC2=C3CC[C@@H]4C[C@@H](CC[C@@]4([C@H]3C[C@@H]([C@]12C)O)C)O,"InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-16,18,20-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,20+,21+,23+,24-/m1/s1",XWJTYEGVQBFZHI-IMPNNSMHSA-N,C24H38O4,390.6,390.2770097,3.5,77.8,670,0,3,4,4,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, dithiodicarbonyldi-",644-32-6,12569,S-benzoylsulfanyl benzenecarbothioate,C1=CC=C(C=C1)C(=O)SSC(=O)C2=CC=CC=C2,InChI=1S/C14H10O2S2/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H,YYWLHHUMIIIZDH-UHFFFAOYSA-N,C14H10O2S2,274.4,274.0122219,3.8,84.7,262,0,0,4,5,18,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2(1H)-Azocinone, hexahydro-",673-66-5,12657,azocan-2-one,C1CCCNC(=O)CC1,"InChI=1S/C7H13NO/c9-7-5-3-1-2-4-6-8-7/h1-6H2,(H,8,9)",CJYXCQLOZNIMFP-UHFFFAOYSA-N,C7H13NO,127.18,127.099714,0.2,29.1,101,0,1,1,0,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Isonicotinaldehyde, oxime, 1-oxide",699-07-0,12778,1-hydroxy-4-(nitrosomethylidene)pyridine,C1=CN(C=CC1=CN=O)O,"InChI=1S/C6H6N2O2/c9-7-5-6-1-3-8(10)4-2-6/h1-5,10H",XOTXPRUFDURHKP-UHFFFAOYSA-N,C6H6N2O2,138.12,138.0429274,0,52.9,202,0,1,4,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-Oxaspiro(4,5)decan-2-one",699-61-6,12783,1-oxaspiro[4.5]decan-2-one,C1CCC2(CC1)CCC(=O)O2,InChI=1S/C9H14O2/c10-8-4-7-9(11-8)5-2-1-3-6-9/h1-7H2,QYNYVJFXPJUEMW-UHFFFAOYSA-N,C9H14O2,154.21,154.0993797,1.8,26.3,168,0,0,2,0,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,1-Benzisothiazole, 3-(methylamino)-",700-07-2,16984,"N-methyl-2,1-benzothiazol-3-amine",CNC1=C2C=CC=CC2=NS1,"InChI=1S/C8H8N2S/c1-9-8-6-4-2-3-5-7(6)10-11-8/h2-5,9H,1H3",ARUJVDNZYGIUGB-UHFFFAOYSA-N,C8H8N2S,164.23,164.0408194,2.6,53.2,140,0,1,3,1,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,4-Oxadiazole, 2-amino-5-(4-pyridyl)-",704-56-3,12804,"5-pyridin-4-yl-1,3,4-oxadiazol-2-amine",C1=CN=CC=C1C2=NN=C(O2)N,"InChI=1S/C7H6N4O/c8-7-11-10-6(12-7)5-1-3-9-4-2-5/h1-4H,(H2,8,11)",JQGJTYPZTLAQIC-UHFFFAOYSA-N,C7H6N4O,162.15,162.0541608,0,77.8,148,0,1,5,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Diazaspiro(4.7)dodecane-2,4-dione",710-94-1,95195,"1,3-diazaspiro[4.7]dodecane-2,4-dione",C1CCCC2(CCC1)C(=O)NC(=O)N2,"InChI=1S/C10H16N2O2/c13-8-10(12-9(14)11-8)6-4-2-1-3-5-7-10/h1-7H2,(H2,11,12,13,14)",NMKBJKPVCZJVTI-UHFFFAOYSA-N,C10H16N2O2,196.25,196.1211778,1.6,58.2,255,0,2,2,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Disulfide, bis(morpholinothiocarbonyl)",729-46-4,12892,morpholine-4-carbothioylsulfanyl morpholine-4-carbodithioate,C1COCCN1C(=S)SSC(=S)N2CCOCC2,InChI=1S/C10H16N2O2S4/c15-9(11-1-5-13-6-2-11)17-18-10(16)12-3-7-14-8-4-12/h1-8H2,KKVYOWPPMNSLCP-UHFFFAOYSA-N,C10H16N2O2S4,324.5,324.0094625,0.9,140,274,0,0,6,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Sulfanilamide, N(sup 1)-(4,5-dimethyl-2-oxazolyl)-",729-99-7,12894,"4-amino-N-(4,5-dimethyl-1,3-oxazol-2-yl)benzenesulfonamide",CC1=C(OC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C,"InChI=1S/C11H13N3O3S/c1-7-8(2)17-11(13-7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14)",CYFLXLSBHQBMFT-UHFFFAOYSA-N,C11H13N3O3S,267.31,267.0677625,1.3,107,373,0,2,6,3,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-(cyclopentylmethyl)-3,4-dihydro-,1,1-dioxide",742-20-1,2904,"6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide",C1CCC(C1)CC2NC3=CC(=C(C=C3S(=O)(=O)N2)S(=O)(=O)N)Cl,"InChI=1S/C13H18ClN3O4S2/c14-9-6-10-12(7-11(9)22(15,18)19)23(20,21)17-13(16-10)5-8-3-1-2-4-8/h6-8,13,16-17H,1-5H2,(H2,15,18,19)",BKYKPTRYDKTTJY-UHFFFAOYSA-N,C13H18ClN3O4S2,379.9,379.0427261,1.3,135,637,0,3,7,3,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)- (2S-(2-alpha,5-alpha,6-beta))-, compd. with N-(phenylmethyl)benzeneethanamine (1:1)",751-84-8,65054,"N-benzyl-2-phenylethanamine;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C=C1)CCNCC2=CC=CC=C2,"InChI=1S/C16H18N2O4S.C15H17N/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,16H,11-13H2/t11-,12+,14-;/m1./s1",JAQPGQYDZJZOIN-LQDWTQKMSA-N,C31H35N3O4S,545.7,545.2348278,,124,696,0,3,6,9,39,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,1,0
"Cyclohexene, 1-phenyl-",771-98-2,13043,cyclohexen-1-ylbenzene,C1CCC(=CC1)C2=CC=CC=C2,"InChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-9H,2,5-6,10H2",WCMSFBRREKZZFL-UHFFFAOYSA-N,C12H14,158.24,158.1095504,4.5,0,161,0,0,0,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Dithiacyclobutane, 2,2,4,4-tetra(trifluoromethyl)-",791-50-4,13098,"2,2,4,4-tetrakis(trifluoromethyl)-1,3-dithietane",C1(SC(S1)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F,"InChI=1S/C6F12S2/c7-3(8,9)1(4(10,11)12)19-2(20-1,5(13,14)15)6(16,17)18",QKKBOQYIHOYXKK-UHFFFAOYSA-N,C6F12S2,364.2,363.9249803,5.7,50.6,305,0,0,14,0,20,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propiophenone, 3-(1-pyrrolidinyl)-, hydrochloride",833-86-3,70033,1-phenyl-3-pyrrolidin-1-ylpropan-1-one;hydrochloride,C1CCN(C1)CCC(=O)C2=CC=CC=C2.Cl,"InChI=1S/C13H17NO.ClH/c15-13(12-6-2-1-3-7-12)8-11-14-9-4-5-10-14;/h1-3,6-7H,4-5,8-11H2;1H",AACQWMDCFMYTSE-UHFFFAOYSA-N,C13H18ClNO,239.74,239.1076919,,20.3,203,0,1,2,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenesulfonamide, N-benzyl-",837-18-3,95236,N-benzylbenzenesulfonamide,C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC=C2,"InChI=1S/C13H13NO2S/c15-17(16,13-9-5-2-6-10-13)14-11-12-7-3-1-4-8-12/h1-10,14H,11H2",GRTPAOVVVLZLDP-UHFFFAOYSA-N,C13H13NO2S,247.31,247.0666998,2.4,54.6,309,0,1,3,4,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,19-Cyclo-5-alpha,9-beta-pregnan-16-alpha-ol, 4,4,14-trimethyl-3-beta,20-alpha-bis(methylamino)-",860-79-7,260439,"(1S,3R,6S,8R,11S,12S,14R,15S,16R)-7,7,12,16-tetramethyl-6-(methylamino)-15-[(1S)-1-(methylamino)ethyl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-ol",C[C@@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)NC)C)C)O)NC,"InChI=1S/C26H46N2O/c1-16(27-6)21-17(29)14-24(5)19-9-8-18-22(2,3)20(28-7)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-21,27-29H,8-15H2,1-7H3/t16-,17+,18-,19-,20-,21-,23+,24-,25+,26-/m0/s1",GMNAPBAUIVITMI-ABNIRSKTSA-N,C26H46N2O,402.7,402.3610141,5.9,44.3,692,0,3,3,3,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 1-phenyl-3-(2-pyridyl)-2-thio-",886-60-2,701009,1-phenyl-3-pyridin-2-ylthiourea,C1=CC=C(C=C1)NC(=S)NC2=CC=CC=N2,"InChI=1S/C12H11N3S/c16-12(14-10-6-2-1-3-7-10)15-11-8-4-5-9-13-11/h1-9H,(H2,13,14,15,16)",JFHXWMRFXORESD-UHFFFAOYSA-N,C12H11N3S,229.3,229.0673685,2.3,69,226,0,2,2,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-Azonin-2-one, octahydro-",935-30-8,13632,azonan-2-one,C1CCCC(=O)NCCC1,"InChI=1S/C8H15NO/c10-8-6-4-2-1-3-5-7-9-8/h1-7H2,(H,9,10)",YDLSUFFXJYEVHW-UHFFFAOYSA-N,C8H15NO,141.21,141.1153641,0.7,29.1,112,0,1,1,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrazole, 4,5-dihydro-5-phenyl-",936-47-0,120841,"5-phenyl-4,5-dihydro-1H-pyrazole",C1C=NNC1C2=CC=CC=C2,"InChI=1S/C9H10N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-5,7,9,11H,6H2",HNXVMLLBTMWOAM-UHFFFAOYSA-N,C9H10N2,146.19,146.0843983,1.4,24.4,148,0,1,2,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyrazolin-5-one, 1-benzyl-3-methyl-",946-23-6,70349,2-benzyl-5-methyl-4H-pyrazol-3-one,CC1=NN(C(=O)C1)CC2=CC=CC=C2,"InChI=1S/C11H12N2O/c1-9-7-11(14)13(12-9)8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3",MEDQPHZEAUFCTK-UHFFFAOYSA-N,C11H12N2O,188.23,188.094963,1.2,32.7,254,0,0,2,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenoxathiin, 10-oxide",948-44-7,70360,phenoxathiine 10-oxide,C1=CC=C2C(=C1)OC3=CC=CC=C3S2=O,InChI=1S/C12H8O2S/c13-15-11-7-3-1-5-9(11)14-10-6-2-4-8-12(10)15/h1-8H,ZESLIAUQVGLCIA-UHFFFAOYSA-N,C12H8O2S,216.26,216.0245007,2.3,58.5,242,0,0,3,0,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzothiazole, 2,2'-ethylenebis-",965-16-2,13760,"2-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3-benzothiazole",C1=CC=C2C(=C1)N=C(S2)CCC3=NC4=CC=CC=C4S3,"InChI=1S/C16H12N2S2/c1-3-7-13-11(5-1)17-15(19-13)9-10-16-18-12-6-2-4-8-14(12)20-16/h1-8H,9-10H2",RBXSJZVTIQDHKO-UHFFFAOYSA-N,C16H12N2S2,296.4,296.0441907,5.1,82.3,306,0,0,4,3,20,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Isoquinoline, 1,2,3,4-tetrahydro-6,7-diethoxy-1-((3,4-diethoxyphenyl)methylene)-,hydrochloride",985-12-6,6437861,"(1Z)-1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-3,4-dihydro-2H-isoquinoline;hydrochloride",CCOC1=C(C=C(C=C1)/C=C\2/C3=CC(=C(C=C3CCN2)OCC)OCC)OCC.Cl,"InChI=1S/C24H31NO4.ClH/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20;/h9-10,13-16,25H,5-8,11-12H2,1-4H3;1H/b20-13-;",JBFLYOLJRKJYNV-MASIZSFYSA-N,C24H32ClNO4,434,433.2019862,,49,511,0,2,5,9,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
6(5H)-Phenantridinone,1015-89-0,1853,5H-phenanthridin-6-one,C1=CC=C2C(=C1)C3=CC=CC=C3NC2=O,"InChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15)",RZFVLEJOHSLEFR-UHFFFAOYSA-N,C13H9NO,195.22,195.0684139,2.5,29.1,263,0,1,1,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-Pyrrolidinedione, 1-(2-phenylethyl)-",1016-50-8,95826,"1-(2-phenylethyl)pyrrolidine-2,5-dione",C1CC(=O)N(C1=O)CCC2=CC=CC=C2,"InChI=1S/C12H13NO2/c14-11-6-7-12(15)13(11)9-8-10-4-2-1-3-5-10/h1-5H,6-9H2",KOGPFMVYUQPAHE-UHFFFAOYSA-N,C12H13NO2,203.24,203.0946287,1.1,37.4,240,0,0,2,3,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Lupanine, monohydrochloride, hydrate",1025-39-4,121314,"(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one;hydrochloride",C1CCN2C[C@@H]3C[C@H]([C@@H]2C1)CN4[C@@H]3CCCC4=O.Cl,"InChI=1S/C15H24N2O.ClH/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11;/h11-14H,1-10H2;1H/t11-,12-,13-,14+;/m0./s1",BQPGCISNGAWUMO-YXCQRQMQSA-N,C15H25ClN2O,284.82,284.1655411,,23.6,356,0,1,2,0,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-Pyran-4-one, tetrahydro-2,6-dimethyl-",1073-79-6,70626,"2,6-dimethyloxan-4-one",CC1CC(=O)CC(O1)C,"InChI=1S/C7H12O2/c1-5-3-7(8)4-6(2)9-5/h5-6H,3-4H2,1-2H3",FZXBJPDVINOGBR-UHFFFAOYSA-N,C7H12O2,128.17,128.0837296,0.4,26.3,108,0,0,2,0,9,,,0,0,1,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
Lumiflavine,1088-56-8,66184,"7,8,10-trimethylbenzo[g]pteridine-2,4-dione",CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C,"InChI=1S/C13H12N4O2/c1-6-4-8-9(5-7(6)2)17(3)11-10(14-8)12(18)16-13(19)15-11/h4-5H,1-3H3,(H,16,18,19)",KPDQZGKJTJRBGU-UHFFFAOYSA-N,C13H12N4O2,256.26,256.0960256,1.1,74.1,511,0,1,3,0,19,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"4-Pyridinemethanol, 3,3'-(dithiobis(methylene))bis(5-hydroxy-6-methyl-",1098-97-1,14190,5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol,CC1=NC=C(C(=C1O)CO)CSSCC2=CN=C(C(=C2CO)O)C,"InChI=1S/C16H20N2O4S2/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20/h3-4,19-22H,5-8H2,1-2H3",SIXLXDIJGIWWFU-UHFFFAOYSA-N,C16H20N2O4S2,368.5,368.0864495,1.2,157,346,0,4,8,7,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1,3-Benzoxazin-2-one, 3,4-dihydro-",1125-85-5,121020,"3,4-dihydro-1,3-benzoxazin-2-one",C1C2=CC=CC=C2OC(=O)N1,"InChI=1S/C8H7NO2/c10-8-9-5-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,9,10)",OOYREISBUILOLV-UHFFFAOYSA-N,C8H7NO2,149.15,149.0476785,1.1,38.3,169,0,1,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzene, (3,4-epoxybutyl)-",1126-76-7,135955,2-(2-phenylethyl)oxirane,C1C(O1)CCC2=CC=CC=C2,"InChI=1S/C10H12O/c1-2-4-9(5-3-1)6-7-10-8-11-10/h1-5,10H,6-8H2",JVGAGAVQROERFI-UHFFFAOYSA-N,C10H12O,148.2,148.088815,2.2,12.5,116,0,0,1,3,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Azaspiro(5,5)undecan-2,4-dione",1130-32-1,14324,"3-azaspiro[5.5]undecane-2,4-dione",C1CCC2(CC1)CC(=O)NC(=O)C2,"InChI=1S/C10H15NO2/c12-8-6-10(7-9(13)11-8)4-2-1-3-5-10/h1-7H2,(H,11,12,13)",FNIPRNMPSXNBDI-UHFFFAOYSA-N,C10H15NO2,181.23,181.1102787,1.6,46.2,223,0,1,2,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Dibenzofuranol, 6,7,8,9-tetrahydro-",1133-79-5,121024,"6,7,8,9-tetrahydrodibenzofuran-2-ol",C1CCC2=C(C1)C3=C(O2)C=CC(=C3)O,"InChI=1S/C12H12O2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,13H,1-4H2",DLFLWVYSSLYVBK-UHFFFAOYSA-N,C12H12O2,188.22,188.0837296,3.2,33.4,216,0,1,2,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Plumbane, chlorotriphenyl-",1153-06-6,223972,chloro(triphenyl)plumbane,C1=CC=C(C=C1)[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)Cl,InChI=1S/3C6H5.ClH.Pb/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H;/q;;;;+1/p-1,RJSSWRDMHBJWKN-UHFFFAOYSA-M,C18H15ClPb,474,474.06288,,0,240,0,0,0,3,20,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Urea, 1-(hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl)-",1156-19-0,5503,1-(azepan-1-yl)-3-(4-methylphenyl)sulfonylurea,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2,"InChI=1S/C14H21N3O3S/c1-12-6-8-13(9-7-12)21(19,20)16-14(18)15-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)",OUDSBRTVNLOZBN-UHFFFAOYSA-N,C14H21N3O3S,311.4,311.1303627,1.5,86.9,431,0,2,4,3,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"Cinnamic acid, 3,4-dihydroxy-, 1-carboxy-3,5-dihydroxy-1,4-cyclohexylene ester, hydrate",1182-34-9,12358846,"trans-(3R,5R)-1,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,5-dihydroxycyclohexane-1-carboxylic acid",C1[C@H](C([C@@H](CC1(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",IYXQRCXQQWUFQV-RDJMKVHDSA-N,C25H24O12,516.4,516.1267762,1.5,211,873,0,7,12,9,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-beta-20-xi-Cardanolide, 3-beta-((6-deoxy-alpha-L-mannopyranosyl)oxy)-1-beta,5,11-alpha,14,19-pentahydroxy-",1183-35-3,6852401,"4-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-one",C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6CC(=O)OC6)O)CO)O)O)O)O,"InChI=1S/C29H46O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h13-19,21-25,30-32,34-38H,3-12H2,1-2H3/t13-,14?,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1",ZTFGOPUOTATSAL-CFVDWFIMSA-N,C29H46O12,586.7,586.2989269,-1.2,207,1030,0,8,12,4,41,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrrolidine, 1-(alpha-propylphenethyl)-, hydrochloride",1211-28-5,14591,1-(1-phenylpentan-2-yl)pyrrolidine;hydrochloride,CCCC(CC1=CC=CC=C1)N2CCCC2.Cl,"InChI=1S/C15H23N.ClH/c1-2-8-15(16-11-6-7-12-16)13-14-9-4-3-5-10-14;/h3-5,9-10,15H,2,6-8,11-13H2,1H3;1H",FKOFBBOQSMUYHD-UHFFFAOYSA-N,C15H24ClN,253.81,253.1597275,,3.2,178,0,1,1,5,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 1,3-dicyclohexyl-2-thio-",1212-29-9,727200,"1,3-dicyclohexylthiourea",C1CCC(CC1)NC(=S)NC2CCCCC2,"InChI=1S/C13H24N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)",KAJICSGLHKRDLN-UHFFFAOYSA-N,C13H24N2S,240.41,240.16602,3.6,56.2,196,0,2,1,2,16,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Chromium(II), diphenyl-",1271-54-1,11984611,benzene;chromium;cyclohexane,[CH-]1[CH-][CH-][CH-][CH-][CH-]1.C1=CC=CC=C1.[Cr],InChI=1S/2C6H6.Cr/c2*1-2-4-6-5-3-1;/h2*1-6H;/q;-6;,IWCQVOVBDXJJDF-UHFFFAOYSA-N,C12H12Cr-6,208.22,208.034405,,0,97,-6,0,6,0,13,,,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"7,20(2H,19H)-Cyclovobasan, 1,2,18,19-tetradehydro-3,17-epoxy-, (3R,7-alpha,20-alpha)-",1358-76-5,44583834,"(1S,10S,12S,15S,16R,17S)-15-ethenyl-13-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene",CN1C[C@]2([C@@H]3C[C@H]4C5=NC6=CC=CC=C6[C@@]52C[C@H]1[C@H]3CO4)C=C,"InChI=1S/C20H22N2O/c1-3-19-11-22(2)16-9-20(19)13-6-4-5-7-15(13)21-18(20)17-8-14(19)12(16)10-23-17/h3-7,12,14,16-17H,1,8-11H2,2H3/t12-,14+,16-,17-,19-,20-/m0/s1",VTLYEMHGPMGUOT-XMHJOAAQSA-N,C20H22N2O,306.4,306.1732133,2.5,24.8,615,0,0,3,1,23,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Chetomin,1403-36-7,10417379,"(1S,3S,11R,14S)-14-(hydroxymethyl)-3-[3-[[(1S,4S)-4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]octan-1-yl]methyl]indol-1-yl]-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione",CN1C(=O)[C@]2(N(C(=O)[C@@]1(SS2)CC3=CN(C4=CC=CC=C43)[C@]56C[C@]78C(=O)N([C@](C(=O)N7[C@H]5NC9=CC=CC=C69)(SS8)CO)C)C)CO,"InChI=1S/C31H30N6O6S4/c1-33-25(42)30(15-38)34(2)23(40)28(33,44-46-30)12-17-13-36(21-11-7-4-8-18(17)21)27-14-29-24(41)35(3)31(16-39,47-45-29)26(43)37(29)22(27)32-20-10-6-5-9-19(20)27/h4-11,13,22,32,38-39H,12,14-16H2,1-3H3/t22-,27+,28+,29+,30+,31+/m1/s1",ZRZWBWPDBOVIGQ-YWZWRZHGSA-N,C31H30N6O6S4,710.9,710.1109674,1.9,240,1460,0,3,11,5,47,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Nogalamycin,1404-15-5,5289019,"methyl (1R,10S,12S,13R,21R,22S,23R,24R)-23-(dimethylamino)-4,8,12,22,24-pentahydroxy-1,12-dimethyl-6,17-dioxo-10-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-4,6-dimethyloxan-2-yl]oxy-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-13-carboxylate",C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2C[C@]([C@@H](C3=CC4=C(C(=C23)O)C(=O)C5=C(C=C6C(=C5C4=O)O[C@H]7[C@H]([C@@H]([C@H]([C@@]6(O7)C)O)N(C)C)O)O)C(=O)OC)(C)O)OC)(C)OC)OC,"InChI=1S/C39H49NO16/c1-14-32(49-7)39(4,52-10)33(50-8)36(53-14)54-19-13-37(2,48)24(34(47)51-9)15-11-16-21(27(43)20(15)19)28(44)22-18(41)12-17-30(23(22)26(16)42)55-35-29(45)25(40(5)6)31(46)38(17,3)56-35/h11-12,14,19,24-25,29,31-33,35-36,41,43,45-46,48H,13H2,1-10H3/t14-,19-,24-,25-,29-,31+,32-,33-,35+,36-,37-,38+,39+/m0/s1",KGTDRFCXGRULNK-JYOBTZKQSA-N,C39H49NO16,787.8,787.3051345,1.1,229,1530,0,5,17,8,56,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
Polymyxin B,1404-26-8,49800004,"N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18R,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide",CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC1=O)CCN)CC2=CC=CC=C2)CC(C)C)CCN)CCN)[C@@H](C)O,"InChI=1S/C56H98N16O13/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80)/t32?,33-,34-,36+,37+,38-,39+,40+,41+,42+,43-,45+,46+/m1/s1",WQVJHHACXVLGBL-BPJDFBQWSA-N,C56H98N16O13,1203.5,1202.749927,-2.5,491,2150,0,18,18,29,85,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Penicillin, calcium salt",1406-07-1,102612,"calcium bis(3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate)",CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-])C.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-])C.[Ca+2],"InChI=1S/2C16H18N2O4S.Ca/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;;+2/p-2",PEWXRXAGXPYMIB-UHFFFAOYSA-L,C32H34CaN4O8S2,706.8,706.1443973,,230,525,0,2,10,6,47,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
Chlorophyll,1406-65-1,156620228,"magnesium methyl (3R,22S)-16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diazonia-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),4,8(26),9,11,13(25),14,16,18,20-undecaene-3-carboxylate",CCC\1=C(C\2=[NH+]/C1=C\C3=C(C4=C([C@@H](C(=C4[N-]3)C5=[NH+]C(=C([C@@H]5CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)/C=C\6/C(=C(/C(=C2)/[N-]6)C=C)C)C(=O)OC)O)C)C.[Mg+2],"InChI=1S/C55H72N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,41,51H,1,14-25,27H2,2-12H3,(H-2,56,57,58,59,61);/q-2;+2/p+2/b34-26+,42-28-;/t32-,33-,41+,51-;/m1./s1",KPJIJGZVAWIZMG-LEGXGVPYSA-P,C55H74MgN4O5+2,895.5,894.5509632,,103,2320,2,3,7,22,65,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 2,2'-(1,2-ethenediyl)bis-",1437-15-6,5374802,2-[(E)-2-pyridin-2-ylethenyl]pyridine,C1=CC=NC(=C1)/C=C/C2=CC=CC=N2,InChI=1S/C12H10N2/c1-3-9-13-11(5-1)7-8-12-6-2-4-10-14-12/h1-10H/b8-7+,HKEOCEQLCZEBMK-BQYQJAHWSA-N,C12H10N2,182.22,182.0843983,2.1,25.8,169,0,0,2,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"N,4'-Bi(pyrrole-2-carboxamide), N'-(2-carbamoylethyl)-4-((2-guanidinoacetimidoyl)amino)-1,1'-dimethyl-",1438-30-8,4461,N-[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylpyrrole-2-carboxamide,CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)CN=C(N)N,"InChI=1S/C18H26N10O3/c1-27-9-11(6-12(27)16(30)23-4-3-14(19)20)26-17(31)13-5-10(8-28(13)2)25-15(29)7-24-18(21)22/h5-6,8-9H,3-4,7H2,1-2H3,(H3,19,20)(H,23,30)(H,25,29)(H,26,31)(H4,21,22,24)",IDBIFFKSXLYUOT-UHFFFAOYSA-N,C18H26N10O3,430.5,430.2189347,-3.1,211,723,0,7,5,9,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopropyl ketone, oxime",1453-52-7,15072,N-(dicyclopropylmethylidene)hydroxylamine,C1CC1C(=NO)C2CC2,"InChI=1S/C7H11NO/c9-8-7(5-1-2-5)6-3-4-6/h5-6,9H,1-4H2",AEVSLBGUEKOQEE-UHFFFAOYSA-N,C7H11NO,125.17,125.084064,1.1,32.6,131,0,1,2,2,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,4-Thiadiazole, 2,5-diphenyl-",1456-21-9,15080,"2,5-diphenyl-1,3,4-thiadiazole",C1=CC=C(C=C1)C2=NN=C(S2)C3=CC=CC=C3,InChI=1S/C14H10N2S/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12/h1-10H,LKZWCRGTHNZTQN-UHFFFAOYSA-N,C14H10N2S,238.31,238.0564695,3.7,54,210,0,0,3,2,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1,2,4-Triazole-3-thiol, 5-(4-pyridyl)-",1477-24-3,920433,"5-pyridin-4-yl-1,2-dihydro-1,2,4-triazole-3-thione",C1=CN=CC=C1C2=NC(=S)NN2,"InChI=1S/C7H6N4S/c12-7-9-6(10-11-7)5-1-3-8-4-2-5/h1-4H,(H2,9,10,11,12)",PBTAXYKMCKLQSM-UHFFFAOYSA-N,C7H6N4S,178.22,178.0313174,0.8,81.4,219,0,2,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzeneacetamide, N-ethyl-alpha-(hydroxymethyl)-N-(4-pyridinylmethyl)-",1508-75-4,5593,N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide,CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2,"InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3",BGDKAVGWHJFAGW-UHFFFAOYSA-N,C17H20N2O2,284.35,284.1524779,1.5,53.4,310,0,1,3,6,21,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"1-Pyrrolidinepropanol, alpha-cyclohexyl-alpha-phenyl-, monohydrochloride",1508-76-5,207841,1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride,C1CCC(CC1)C(CCN2CCCC2)(C3=CC=CC=C3)O.Cl,"InChI=1S/C19H29NO.ClH/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20;/h1,3-4,9-10,18,21H,2,5-8,11-16H2;1H",ZFSPFXJSEHCTTR-UHFFFAOYSA-N,C19H30ClNO,323.9,323.2015923,,23.5,301,0,2,2,5,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"delta(sup 1-alpha,4-alpha')-Cyclohexanedimalononitrile",1518-15-6,73696,2-[4-(dicyanomethylidene)cyclohexylidene]propanedinitrile,C1CC(=C(C#N)C#N)CCC1=C(C#N)C#N,InChI=1S/C12H8N4/c13-5-11(6-14)9-1-2-10(4-3-9)12(7-15)8-16/h1-4H2,NXQNMVFWIRBUHX-UHFFFAOYSA-N,C12H8N4,208.22,208.0748963,0.6,95.2,465,0,0,4,0,16,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"3,5-Pyridinedicarboxylic acid, 4-benzyl-1,4-dihydro-2,6-dimethyl-, diethyl ester",1539-57-7,99354,"diethyl 4-benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",CCOC(=O)C1=C(NC(=C(C1CC2=CC=CC=C2)C(=O)OCC)C)C,"InChI=1S/C20H25NO4/c1-5-24-19(22)17-13(3)21-14(4)18(20(23)25-6-2)16(17)12-15-10-8-7-9-11-15/h7-11,16,21H,5-6,12H2,1-4H3",JHHPUDNXDLHTHP-UHFFFAOYSA-N,C20H25NO4,343.4,343.1783583,3.6,64.6,530,0,1,5,8,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Oxazole, 4,5-dihydro-4,4-dimethyl-2-(phenylmethyl)-",1569-08-0,98710,"2-benzyl-4,4-dimethyl-5H-1,3-oxazole",CC1(COC(=N1)CC2=CC=CC=C2)C,"InChI=1S/C12H15NO/c1-12(2)9-14-11(13-12)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3",GPBCTHQIXXYBHQ-UHFFFAOYSA-N,C12H15NO,189.25,189.1153641,2,21.6,226,0,0,2,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 3,3'-(iminodimethylene)di-",1656-94-6,74257,1-pyridin-3-yl-N-(pyridin-3-ylmethyl)methanamine,C1=CC(=CN=C1)CNCC2=CN=CC=C2,"InChI=1S/C12H13N3/c1-3-11(7-13-5-1)9-15-10-12-4-2-6-14-8-12/h1-8,15H,9-10H2",FEBQXMFOLRVSGC-UHFFFAOYSA-N,C12H13N3,199.25,199.1109474,0.8,37.8,154,0,1,3,4,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Hydantoin, 1-((3-(5-nitro-2-furyl)allylidene)amino)-",1672-88-4,6870646,"1-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]imidazolidine-2,4-dione",C1C(=O)NC(=O)N1/N=C/C=C/C2=CC=C(O2)[N+](=O)[O-],"InChI=1S/C10H8N4O5/c15-8-6-13(10(16)12-8)11-5-1-2-7-3-4-9(19-7)14(17)18/h1-5H,6H2,(H,12,15,16)/b2-1+,11-5+",DECBQELQORZLLP-UAIOPKHMSA-N,C10H8N4O5,264.19,264.0494694,0.5,121,455,0,1,6,3,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isonicotinic acid, 2,2'-methylenedihydrazide",1707-15-9,15568,N'-[[2-(pyridine-4-carbonyl)hydrazinyl]methyl]pyridine-4-carbohydrazide,C1=CN=CC=C1C(=O)NNCNNC(=O)C2=CC=NC=C2,"InChI=1S/C13H14N6O2/c20-12(10-1-5-14-6-2-10)18-16-9-17-19-13(21)11-3-7-15-8-4-11/h1-8,16-17H,9H2,(H,18,20)(H,19,21)",WWCIFIOLOMCRET-UHFFFAOYSA-N,C13H14N6O2,286.29,286.1178237,-0.3,108,308,0,4,6,6,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanone, 1,2,2-triphenyl-",1733-63-7,94966,"1,2,2-triphenylethanone",C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C3=CC=CC=C3,"InChI=1S/C20H16O/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19H",UKQCJCWLKWRFFI-UHFFFAOYSA-N,C20H16O,272.3,272.1201151,4.4,17.1,299,0,0,1,4,21,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Indandione, 2-benzoyl-",1785-95-1,95022,"2-benzoylindene-1,3-dione",C1=CC=C(C=C1)C(=O)C2C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C16H10O3/c17-14(10-6-2-1-3-7-10)13-15(18)11-8-4-5-9-12(11)16(13)19/h1-9,13H",UURMMRCWXJLUKF-UHFFFAOYSA-N,C16H10O3,250.25,250.0629942,3,51.2,382,0,0,3,2,19,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4,4-bis(p-fluorophenyl)butyl)-1-phenyl-",1841-19-6,3396,"8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one",C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F,"InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)",QOYHHIBFXOOADH-UHFFFAOYSA-N,C29H31F2N3O,475.6,475.2435189,5.6,35.6,653,0,1,5,7,35,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris(2-(1,1-dimethylethyl)-5-methyl-",1843-03-4,92905,"4-[4,4-bis(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-tert-butyl-5-methylphenol",CC1=CC(=C(C=C1C(C)CC(C2=CC(=C(C=C2C)O)C(C)(C)C)C3=CC(=C(C=C3C)O)C(C)(C)C)C(C)(C)C)O,"InChI=1S/C37H52O3/c1-21(25-18-29(35(5,6)7)32(38)15-22(25)2)14-28(26-19-30(36(8,9)10)33(39)16-23(26)3)27-20-31(37(11,12)13)34(40)17-24(27)4/h15-21,28,38-40H,14H2,1-13H3",PRWJPWSKLXYEPD-UHFFFAOYSA-N,C37H52O3,544.8,544.3916455,11.5,60.7,758,0,3,3,8,40,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Hexane, 1,2:5,6-diepoxy-",1888-89-7,15903,2-[2-(oxiran-2-yl)ethyl]oxirane,C1C(O1)CCC2CO2,"InChI=1S/C6H10O2/c1(5-3-7-5)2-6-4-8-6/h5-6H,1-4H2",HTJFSXYVAKSPNF-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,0.3,25.1,80,0,0,2,3,8,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,0
"Morpholine, 1-(1-phenylcyclohexyl)-, hydrochloride",1934-49-2,121542,4-(1-phenylcyclohexyl)morpholine;hydrochloride,C1CCC(CC1)(C2=CC=CC=C2)N3CCOCC3.Cl,"InChI=1S/C16H23NO.ClH/c1-3-7-15(8-4-1)16(9-5-2-6-10-16)17-11-13-18-14-12-17;/h1,3-4,7-8H,2,5-6,9-14H2;1H",RTARNXZLDAUNOX-UHFFFAOYSA-N,C16H24ClNO,281.82,281.1546421,,12.5,248,0,1,2,2,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 4-(2-amino-1,3,4-thiadiazol-5-yl)-",4/2/02,121269,"5-pyridin-4-yl-1,3,4-thiadiazol-2-amine",C1=CN=CC=C1C2=NN=C(S2)N,"InChI=1S/C7H6N4S/c8-7-11-10-6(12-7)5-1-3-9-4-2-5/h1-4H,(H2,8,11)",KTWDTPBHCWJWGJ-UHFFFAOYSA-N,C7H6N4S,178.22,178.0313174,0.6,92.9,148,0,1,5,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Adenine, 9-(6-deoxy-beta-D-erythro-hex-5-enulofuranosyl)-",4/8/04,121578,"(2R,3R,4S)-2-(6-aminopurin-9-yl)-2-(hydroxymethyl)-5-methylideneoxolane-3,4-diol",C=C1[C@H]([C@H]([C@](O1)(CO)N2C=NC3=C(N=CN=C32)N)O)O,"InChI=1S/C11H13N5O4/c1-5-7(18)8(19)11(2-17,20-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-4,7-8,17-19H,1-2H2,(H2,12,13,14)/t7-,8-,11-/m1/s1",UZSSGAOAYPICBZ-SOCHQFKDSA-N,C11H13N5O4,279.25,279.0967539,-1.6,140,410,0,4,8,2,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Morpholine, 4-(thiobenzoyl)-",2032-36-2,16244,morpholin-4-yl(phenyl)methanethione,C1COCCN1C(=S)C2=CC=CC=C2,"InChI=1S/C11H13NOS/c14-11(10-4-2-1-3-5-10)12-6-8-13-9-7-12/h1-5H,6-9H2",AEKJTLISCSMKLR-UHFFFAOYSA-N,C11H13NOS,207.29,207.0717852,1.6,44.6,195,0,0,2,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1,3-Benzoxazine-2,4(3H)-dione",2037-95-8,16258,"1,3-benzoxazine-2,4-dione",C1=CC=C2C(=C1)C(=O)NC(=O)O2,"InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H,(H,9,10,11)",OAYRYNVEFFWSHK-UHFFFAOYSA-N,C8H5NO3,163.13,163.026943,1,55.4,226,0,1,3,0,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridinium, 1,1'-methylenebis(4-formyl-, dibromide, dioxime",2058-89-1,135545784,(NE)-N-[[1-[[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine dibromide,C1=C[N+](=CC=C1/C=N/O)C[N+]2=CC=C(C=C2)/C=N/O.[Br-].[Br-],"InChI=1S/C13H12N4O2.2BrH/c18-14-9-12-1-5-16(6-2-12)11-17-7-3-13(4-8-17)10-15-19;;/h1-10H,11H2;2*1H",ZKQNRRLCBJUEBC-UHFFFAOYSA-N,C13H14Br2N4O2,418.08,417.9463,,72.9,276,0,2,6,4,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Benzimidazolinone, 1-(1-(3-(p-fluorobenzoyl)propyl)-4-piperidyl)-",2062-84-2,16363,3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one,C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(=O)C4=CC=C(C=C4)F,"InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)",FEBOTPHFXYHVPL-UHFFFAOYSA-N,C22H24FN3O2,381.4,381.1852552,3.7,52.7,556,0,1,4,6,28,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Plumbane, dichlorodiphenyl-",2117-69-3,75032,dichloro(diphenyl)plumbane,C1=CC=C(C=C1)[Pb](C2=CC=CC=C2)(Cl)Cl,InChI=1S/2C6H5.2ClH.Pb/c2*1-2-4-6-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2,VCYWRKSVJFJVTB-UHFFFAOYSA-L,C12H10Cl2Pb,432,431.99261,,0,174,0,0,0,2,15,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"4H-Dibenzo(de,g)quinolinium, 5,6,6a,7-tetrahydro-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-,(S)-",9/5/41,73337,"(6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,11-diol",C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C,"InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1",YLRXAIKMLINXQY-ZDUSSCGKSA-O,C20H24NO4+,342.4,342.1705333,2.7,58.9,498,1,2,4,2,25,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Indandione, 2-(2-naphthyl)-",11/8/56,200488,"2-naphthalen-2-ylindene-1,3-dione",C1=CC=C2C=C(C=CC2=C1)C3C(=O)C4=CC=CC=C4C3=O,"InChI=1S/C19H12O2/c20-18-15-7-3-4-8-16(15)19(21)17(18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,17H",BHWNKMZDGUUSLD-UHFFFAOYSA-N,C19H12O2,272.3,272.0837296,4.1,34.1,417,0,0,2,1,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Bi-2,4-cyclopentadien-1-yl, decachloro-",2227-17-0,16686,"1,2,3,4,5-pentachloro-5-(1,2,3,4,5-pentachlorocyclopenta-2,4-dien-1-yl)cyclopenta-1,3-diene",C1(=C(C(C(=C1Cl)Cl)(C2(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl,"InChI=1S/C10Cl10/c11-1-2(12)6(16)9(19,5(1)15)10(20)7(17)3(13)4(14)8(10)18",LWLJUMBEZJHXHV-UHFFFAOYSA-N,C10Cl10,474.6,473.682627,6.3,0,530,0,0,0,1,20,,250 °C (decomposes),1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
1-Acenaphthenone,2235-15-6,75229,2H-acenaphthylen-1-one,C1C2=CC=CC3=C2C(=CC=C3)C1=O,"InChI=1S/C12H8O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6H,7H2",JBXIOAKUBCTDES-UHFFFAOYSA-N,C12H8O,168.19,168.0575149,2.6,17.1,233,0,0,1,0,13,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyrrolethione, tetrahydro-, (Z)-",2295-35-4,2775267,pyrrolidine-2-thione,C1CC(=S)NC1,"InChI=1S/C4H7NS/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)",IMWUREPEYPRYOR-UHFFFAOYSA-N,C4H7NS,101.17,101.0299204,0,44.1,69,0,1,1,0,6,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperazine, 1,4-dibenzyl-, dihydrochloride",2298-55-7,200600,"1,4-dibenzylpiperazine;dihydrochloride",C1CN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3.Cl.Cl,"InChI=1S/C18H22N2.2ClH/c1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18;;/h1-10H,11-16H2;2*1H",UCILLTLOMFHVRO-UHFFFAOYSA-N,C18H24Cl2N2,339.3,338.1316542,,6.5,231,0,2,2,4,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Senecionanium, 8,12-dihydroxy-4-methyl-11,16-dioxo-",2318-18-5,5281752,"(1R,4Z,6R,7R,11Z)-4-ethylidene-7-hydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione",C/C=C\1/C[C@H]([C@@](C(=O)OC/C/2=C/CN(CC[C@H](C2=O)OC1=O)C)(C)O)C,"InChI=1S/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5-,14-6-/t12-,15-,19-/m1/s1",HPDHKHMHQGCNPE-QLJRNOHWSA-N,C19H27NO6,365.4,365.1838376,1.4,93.1,652,0,1,7,0,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphorothioic acid, O-cyclohexyl O-methyl S-(4-chlorophenyl) ester",2346-99-8,75368,1-chloro-4-[cyclohexyloxy(methoxy)phosphoryl]sulfanylbenzene,COP(=O)(OC1CCCCC1)SC2=CC=C(C=C2)Cl,"InChI=1S/C13H18ClO3PS/c1-16-18(15,17-12-5-3-2-4-6-12)19-13-9-7-11(14)8-10-13/h7-10,12H,2-6H2,1H3",NDRKNOADOZHUQR-UHFFFAOYSA-N,C13H18ClO3PS,320.77,320.0402803,3.9,60.8,315,0,0,4,5,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Glutamic acid, N-(p-(((2-amino-4-hydroxy-6-pteridyl)methyl)methylamino)benzoyl)-",2410-93-7,135434845,(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid,CN(CC1=CN=C2C(=N1)C(=O)NC(=N2)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,"InChI=1S/C20H21N7O6/c1-27(9-11-8-22-16-15(23-11)18(31)26-20(21)25-16)12-4-2-10(3-5-12)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,8,13H,6-7,9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H3,21,22,25,26,31)/t13-/m0/s1",HLIXOCXUWGDBNP-ZDUSSCGKSA-N,C20H21N7O6,455.4,455.1553314,-0.9,200,798,0,5,10,9,33,,,0,0,0,1,0,1,0,1,0,0,1,0,0,1,0,0,1,0,0,0
"beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1aS-(1a-alpha,1b-beta,2-beta,5a-beta,6-beta,6a-alpha))-",2415-24-9,91520,"(2S,3R,4S,5S,6R)-2-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol",C1=CO[C@H]([C@H]2[C@@H]1[C@@H]([C@H]3[C@@]2(O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",LHDWRKICQLTVDL-PZYDOOQISA-N,C15H22O10,362.33,362.1212969,-3.2,162,542,0,6,10,4,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"27-Noro-13-ene-23,28-dioic acid, 12-(chloromethyl)-2-beta,3-beta-dihydroxy-",2469-34-3,12442762,"(2S,3R,4S,4aR,6aR,8aS,12aS,13S,14aR,14bR)-13-(chloromethyl)-2,3-dihydroxy-4,6a,11,11,14b-pentamethyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picene-4,8a-dicarboxylic acid",C[C@@]12CC[C@@H]3[C@@]([C@H]1C[C@@H](C4=C2CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)CCl)(C[C@@H]([C@@H]([C@@]3(C)C(=O)O)O)O)C,"InChI=1S/C30H45ClO6/c1-26(2)10-11-30(25(36)37)9-6-17-22(18(30)13-26)16(15-31)12-21-27(17,3)8-7-20-28(21,4)14-19(32)23(33)29(20,5)24(34)35/h16,18-21,23,32-33H,6-15H2,1-5H3,(H,34,35)(H,36,37)/t16-,18+,19+,20-,21+,23+,27+,28+,29+,30-/m1/s1",CWHJIJJSDGEHNS-MYLFLSLOSA-N,C30H45ClO6,537.1,536.2904668,5.1,115,1040,0,4,6,3,37,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Dinaphtho(2,3-a:2',3'-i)naphth(2',3':6,7)indolo(2,3-c)carbazole-5,10,15,17,22,24-hexaone,16,23-dihydro-",2475-33-4,62448,"17,30-diazaundecacyclo[27.15.0.02,18.03,16.06,15.08,13.019,28.021,26.031,44.032,41.034,39]tetratetraconta-1,3(16),4,6(15),8,10,12,18,21,23,25,28,31(44),32(41),34,36,38,42-octadecaene-7,14,20,27,33,40-hexone",C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)C5=C6C7=C(C8=C(C=C7)C(=O)C9=CC=CC=C9C8=O)NC6=C1C(=C5N4)C(=O)C2=CC=CC=C2C1=O,"InChI=1S/C42H18N2O6/c45-37-17-7-1-3-9-19(17)39(47)29-25(37)15-13-23-27-28-24-14-16-26-30(40(48)20-10-4-2-8-18(20)38(26)46)34(24)44-36(28)32-31(35(27)43-33(23)29)41(49)21-11-5-6-12-22(21)42(32)50/h1-16,43-44H",DCYIADGZPJOOFN-UHFFFAOYSA-N,C42H18N2O6,646.6,646.1164863,7.7,134,1460,0,2,6,0,50,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1H-1,3,2-Benzodiazaborole, 2,3-dihydro-2-phenyl-",2479-64-3,96122,"2-phenyl-1,3-dihydro-1,3,2-benzodiazaborole",B1(NC2=CC=CC=C2N1)C3=CC=CC=C3,"InChI=1S/C12H11BN2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9,14-15H",BPFCMNQMCJTFBC-UHFFFAOYSA-N,C12H11BN2,194.04,194.1015285,,24.1,202,0,2,2,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclopropanecarbamic acid, N-benzyl-, ethyl ester",1/9/21,17298,ethyl N-benzyl-N-cyclopropylcarbamate,CCOC(=O)N(CC1=CC=CC=C1)C2CC2,"InChI=1S/C13H17NO2/c1-2-16-13(15)14(12-8-9-12)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3",OGXBVBBMMWSZJO-UHFFFAOYSA-N,C13H17NO2,219.28,219.1259288,2.5,29.5,232,0,0,2,5,16,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Spiro(2,5-methano-7H-oxireno(3,4)cyclopent(1,2-d)oxepin-7,2'-oxiran)-3(2ah)-one, 1a-beta,1b,5a,6,6a,7a-beta-hexahydro-1b-alpha,6-beta-dihydroxy-8a-isopropenyl-6a-alpha-methyl-",2571-22-4,75729,"(1S,2R,3S,5R,6R,7R,8S,9R,12R)-2,8-dihydroxy-7-methyl-12-prop-1-en-2-ylspiro[4,10-dioxatetracyclo[7.2.1.02,7.03,5]dodecane-6,2'-oxirane]-11-one",CC(=C)[C@@H]1[C@@H]2[C@H]([C@]3([C@@]4(CO4)[C@H]5[C@@H]([C@]3([C@H]1C(=O)O2)O)O5)C)O,"InChI=1S/C15H18O6/c1-5(2)6-7-12(17)20-8(6)9(16)13(3)14(4-19-14)10-11(21-10)15(7,13)18/h6-11,16,18H,1,4H2,2-3H3/t6-,7+,8+,9+,10+,11-,13-,14+,15-/m0/s1",CCAZWUJBLXKBAY-ULZPOIKGSA-N,C15H18O6,294.3,294.1103383,-0.5,91.8,603,0,2,6,1,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 4-(((1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)-2-(((1R)-1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-6-methoxy-2-methyl-7-isoquinolinyl)oxy)-",2586-96-1,160644,"4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[[(1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenol",CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)O)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC,"InChI=1S/C37H42N2O6/c1-38-14-13-26-20-35(43-4)37(22-29(26)30(38)16-23-6-9-27(40)10-7-23)45-33-18-24(8-11-32(33)41)17-31-28-21-36(44-5)34(42-3)19-25(28)12-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31-/m1/s1",XCUCMLUTCAKSOZ-FIRIVFDPSA-N,C37H42N2O6,610.7,610.3042871,6.4,83.9,917,0,2,8,9,45,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"Cyclotrisilazane, 1,2,3,4,5,6-hexamethyl-",2587-46-4,6338077,,CN1[Si](N([Si](N([Si]1C)C)C)C)C,InChI=1S/C6H18N3Si3/c1-7-10(4)8(2)12(6)9(3)11(7)5/h1-6H3,ALFURVVDZFIESW-UHFFFAOYSA-N,C6H18N3Si3,216.48,216.0808522,,9.7,122,0,0,3,0,12,,,0,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclotetrasilazane, 1,2,3,4,5,6,7,8-octamethyl-",2587-47-5,6338078,,CN1[Si](N([Si](N([Si](N([Si]1C)C)C)C)C)C)C,InChI=1S/C8H24N4Si4/c1-9-13(5)10(2)15(7)12(4)16(8)11(3)14(9)6/h1-8H3,JDYIHBJBOWFKFW-UHFFFAOYSA-N,C8H24N4Si4,288.64,288.1078029,,13,172,0,0,4,0,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,5-Methano-1H,3H,11H-furo(3,4-g)pyrano(3,2-b)xanthene-1-crotonic acid, 3a,4,5,7-tetrahydro-8-hydroxy-alpha,3,3,11-tetramethyl-13-(3-methyl-2-butenyl)-11-(4-methyl-3-pentenyl)-7,15-dioxo-, (Z)-",2752-65-0,9852185,"(Z)-4-[(1S,2S,8R,17S,19R)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid",CC(=CCC[C@@]1(C=CC2=C(C3=C(C(=C2O1)CC=C(C)C)O[C@@]45[C@H]6C[C@@H](C=C4C3=O)C(=O)[C@@]5(OC6(C)C)C/C=C(/C)\C(=O)O)O)C)C,"InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-/t23-,27+,36-,37+,38-/m1/s1",GEZHEQNLKAOMCA-RRZNCOCZSA-N,C38H44O8,628.7,628.3036184,7.3,119,1490,0,2,8,8,46,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiazole, 2-amino-4-(4-biphenylyl)-",2834-79-9,76075,"4-(4-phenylphenyl)-1,3-thiazol-2-amine",C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CSC(=N3)N,"InChI=1S/C15H12N2S/c16-15-17-14(10-18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H2,16,17)",HTAUVJPDFDVVHV-UHFFFAOYSA-N,C15H12N2S,252.3,252.0721196,3.9,67.2,257,0,1,3,2,18,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,4-Oxadiazol-2-ol, 5-(4-pyridinyl)-",2845-82-1,312924,"5-pyridin-4-yl-3H-1,3,4-oxadiazol-2-one",C1=CN=CC=C1C2=NNC(=O)O2,"InChI=1S/C7H5N3O2/c11-7-10-9-6(12-7)5-1-3-8-4-2-5/h1-4H,(H,10,11)",ZSRKMMIFJWHGDV-UHFFFAOYSA-N,C7H5N3O2,163.13,163.0381764,0.4,63.6,221,0,1,4,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indan, 1,2:5,6-diepoxyhexahydro-",2886-89-7,102898,"4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane",C1C2CC3C(C2CC4C1O4)O3,"InChI=1S/C9H12O2/c1-4-2-8-9(11-8)5(4)3-7-6(1)10-7/h4-9H,1-3H2",MGAKFFHPSIQGDC-UHFFFAOYSA-N,C9H12O2,152.19,152.0837296,0.9,25.1,216,0,0,2,0,11,,,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-beta-Cholan-24-oic acid, 3,12-dioxo-",5/6/58,94248,"(4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid",C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C,"InChI=1S/C24H36O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-15,17-20H,4-13H2,1-3H3,(H,27,28)/t14-,15-,17+,18-,19+,20+,23+,24-/m1/s1",XNTYYYINMGRBQW-ZEZONBOOSA-N,C24H36O4,388.5,388.2613596,4.2,71.4,684,0,1,4,4,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenothiazine, 10-((1-methyl-3-piperidyl)methyl)-, monohydrochloride",2975-36-2,102907,10-[(1-methylpiperidin-3-yl)methyl]phenothiazine;hydrochloride,CN1CCCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42.Cl,"InChI=1S/C19H22N2S.ClH/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21;/h2-5,8-11,15H,6-7,12-14H2,1H3;1H",RLCFKYRNUBRPIK-UHFFFAOYSA-N,C19H23ClN2S,346.9,346.1270476,,31.8,352,0,1,3,2,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
p-Dioxan-2-one,3041-16-5,18233,"1,4-dioxan-2-one",C1COC(=O)CO1,InChI=1S/C4H6O3/c5-4-3-6-1-2-7-4/h1-3H2,VPVXHAANQNHFSF-UHFFFAOYSA-N,C4H6O3,102.09,102.031694,-0.2,35.5,79,0,0,3,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,4-Triazin-3(2H)-one, 5-amino-2-beta-D-ribofuranosyl-",3131-60-0,65114,"5-amino-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazin-3-one",C1=NN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,"InChI=1S/C8H12N4O5/c9-4-1-10-12(8(16)11-4)7-6(15)5(14)3(2-13)17-7/h1,3,5-7,13-15H,2H2,(H2,9,11,16)/t3-,5-,6-,7-/m1/s1",OZQDLJNDRVBCST-SHUUEZRQSA-N,C8H12N4O5,244.2,244.0807695,-2.5,141,384,0,4,6,2,17,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Spiro(16,18-methano-1H,3H,23H-(1,6,12)trioxacyclooctadecino(3,4-d)(1)benzopyran-17(18H),2'-oxirane)-3,9,14-trione, 4,5,6,7,16,16a,19a,22-octahydro-4-hydroxy-5,16a,21-trimethyl-,stereoisomer",9/2/48,6326658,"(1R,3R,8R,12S,13R,18E,20Z,24R,25S,26S)-12-hydroxy-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,17,22-trione",C[C@@H]1CCOC(=O)/C=C/C=C\C(=O)O[C@@H]2C[C@@H]3[C@]4([C@]2([C@]5(CCC(=C[C@H]5O3)C)COC(=O)[C@H]1O)C)CO4,"InChI=1S/C27H34O9/c1-16-8-10-26-14-33-24(31)23(30)17(2)9-11-32-21(28)6-4-5-7-22(29)36-18-13-20(35-19(26)12-16)27(15-34-27)25(18,26)3/h4-7,12,17-20,23,30H,8-11,13-15H2,1-3H3/b6-4+,7-5-/t17-,18-,19-,20-,23+,25-,26-,27+/m1/s1",NLUGUZJQJYVUHS-IDXDZYHTSA-N,C27H34O9,502.6,502.2202827,2.4,121,1030,0,1,9,0,36,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbonic acid, bis(1-naphthyl) ester",3159-41-9,18478,dinaphthalen-1-yl carbonate,C1=CC=C2C(=C1)C=CC=C2OC(=O)OC3=CC=CC4=CC=CC=C43,InChI=1S/C21H14O3/c22-21(23-19-13-5-9-15-7-1-3-11-17(15)19)24-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H,ZQUZPFYNEARCQO-UHFFFAOYSA-N,C21H14O3,314.3,314.0942943,6,35.5,397,0,0,3,4,24,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Piperidinebutanol, alpha,alpha-diphenyl-, hydrochloride",3254-89-5,66266,"1,1-diphenyl-4-piperidin-1-ylbutan-1-ol;hydrochloride",C1CCN(CC1)CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl,"InChI=1S/C21H27NO.ClH/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22;/h1-2,4-7,11-14,23H,3,8-10,15-18H2;1H",AVZIYZHXZAYGJS-UHFFFAOYSA-N,C21H28ClNO,345.9,345.1859422,,23.5,307,0,2,2,6,24,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperidine, 1-cyclohexyl-",1/5/19,18724,1-cyclohexylpiperidine,C1CCC(CC1)N2CCCCC2,"InChI=1S/C11H21N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11H,1-10H2",DSSKLTAHHALFRW-UHFFFAOYSA-N,C11H21N,167.29,167.1673997,2.9,3.2,121,0,0,1,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
4-Quinazolinethiol,3337-86-8,736090,1H-quinazoline-4-thione,C1=CC=C2C(=C1)C(=S)N=CN2,"InChI=1S/C8H6N2S/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)",TWWNPUZQYVWXJY-UHFFFAOYSA-N,C8H6N2S,162.21,162.0251694,1.4,56.5,200,0,1,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbamic acid, N-phenyl-, cyclopentyl ester",4/6/22,18899,cyclopentyl N-phenylcarbamate,C1CCC(C1)OC(=O)NC2=CC=CC=C2,"InChI=1S/C12H15NO2/c14-12(15-11-8-4-5-9-11)13-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,13,14)",XKERVEWMWMNGJA-UHFFFAOYSA-N,C12H15NO2,205.25,205.1102787,2.8,38.3,206,0,1,2,3,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Quinuclidinium, 3-hydroxy-1-methyl-, bromide, benzilate",3485-62-9,19004,"(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate bromide",C[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-],"InChI=1S/C22H26NO3.BrH/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,17,20,25H,12-16H2,1H3;1H/q+1;/p-1",GKEGFOKQMZHVOW-UHFFFAOYSA-M,C22H26BrNO3,432.3,431.10961,,46.5,482,0,1,4,5,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Aniline, p,p'-(p-phenylenedioxy)di-",12/1/91,19012,4-[4-(4-aminophenoxy)phenoxy]aniline,C1=CC(=CC=C1N)OC2=CC=C(C=C2)OC3=CC=C(C=C3)N,"InChI=1S/C18H16N2O2/c19-13-1-5-15(6-2-13)21-17-9-11-18(12-10-17)22-16-7-3-14(20)4-8-16/h1-12H,19-20H2",JCRRFJIVUPSNTA-UHFFFAOYSA-N,C18H16N2O2,292.3,292.1211778,2.9,70.5,283,0,2,4,4,22,,,1,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 3-(3-mercapto-4-methyl-5-(4H-1,2,4-triazolyl))-",3652-31-1,757582,"4-methyl-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione",CN1C(=NNC1=S)C2=CN=CC=C2,"InChI=1S/C8H8N4S/c1-12-7(10-11-8(12)13)6-3-2-4-9-5-6/h2-5H,1H3,(H,11,13)",FTWADHGHCZRHFC-UHFFFAOYSA-N,C8H8N4S,192.24,192.0469675,0.6,72.6,251,0,1,3,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Azepine, 1-benzoylhexahydro-",3653-39-2,145704,azepan-1-yl(phenyl)methanone,C1CCCN(CC1)C(=O)C2=CC=CC=C2,"InChI=1S/C13H17NO/c15-13(12-8-4-3-5-9-12)14-10-6-1-2-7-11-14/h3-5,8-9H,1-2,6-7,10-11H2",KZLCCMBSJDXNDG-UHFFFAOYSA-N,C13H17NO,203.28,203.1310142,2.4,20.3,201,0,0,1,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Piperidine, 2-(2,2-diphenyl-1,3-dioxolan-4-yl)-, hydrochloride",3666-69-1,66269,"2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine;hydrochloride",C1CCNC(C1)C2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4.Cl,"InChI=1S/C20H23NO2.ClH/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)22-15-19(23-20)18-13-7-8-14-21-18;/h1-6,9-12,18-19,21H,7-8,13-15H2;1H",GYPWNVSWCIMIHQ-UHFFFAOYSA-N,C20H24ClNO2,345.9,345.1495567,,30.5,356,0,2,3,3,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Puerarin,3681-99-0,5281807,"7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one",C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O,"InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1",HKEAFJYKMMKDOR-VPRICQMDSA-N,C21H20O9,416.4,416.1107322,0,157,659,0,6,9,3,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenothiazine, 10-(3-(dimethylamino)-2-methylpropyl)-, 5,5-dioxide",3689-50-7,19396,"3-(5,5-dioxophenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine",CC(CN1C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C31)CN(C)C,"InChI=1S/C18H22N2O2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)23(21,22)18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3",QTQPVLDZQVPLGV-UHFFFAOYSA-N,C18H22N2O2S,330.4,330.1401991,3.4,49,470,0,0,4,4,23,,,0,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Dibenz(a,h)anthracene-5,6-dione",3732-92-1,19511,"naphtho[1,2-b]phenanthrene-5,6-dione",C1=CC=C2C(=C1)C=CC3=CC4=C(C=C32)C(=O)C(=O)C5=CC=CC=C54,InChI=1S/C22H12O2/c23-21-17-8-4-3-7-16(17)19-11-14-10-9-13-5-1-2-6-15(13)18(14)12-20(19)22(21)24/h1-12H,DFGKFNJIAICPFS-UHFFFAOYSA-N,C22H12O2,308.3,308.0837296,5,34.1,538,0,0,2,0,24,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Furoic acid, ester with 2,2-dichloro-4'-hydroxy-N-methylacetanilide",3736-81-0,19529,"[4-[(2,2-dichloroacetyl)-methylamino]phenyl] furan-2-carboxylate",CN(C1=CC=C(C=C1)OC(=O)C2=CC=CO2)C(=O)C(Cl)Cl,"InChI=1S/C14H11Cl2NO4/c1-17(13(18)12(15)16)9-4-6-10(7-5-9)21-14(19)11-3-2-8-20-11/h2-8,12H,1H3",BDYYDXJSHYEDGB-UHFFFAOYSA-N,C14H11Cl2NO4,328.1,327.0065132,3.4,59.8,383,0,0,4,5,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrimidine, 4,6-dichloro-2-phenyl-",3740-92-9,77338,"4,6-dichloro-2-phenylpyrimidine",C1=CC=C(C=C1)C2=NC(=CC(=N2)Cl)Cl,InChI=1S/C10H6Cl2N2/c11-8-6-9(12)14-10(13-8)7-4-2-1-3-5-7/h1-6H,NRFQZTCQAYEXEE-UHFFFAOYSA-N,C10H6Cl2N2,225.07,223.9908036,4.2,25.8,173,0,0,2,1,14,,,1,0,1,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"4H-(1.3.2)Benzodioxaphosphorine, 2-methoxy-, 2-sulfide",3811-49-2,19657,"2-methoxy-2-sulfanylidene-4H-1,3,2lambda5-benzodioxaphosphinine",COP1(=S)OCC2=CC=CC=C2O1,"InChI=1S/C8H9O3PS/c1-9-12(13)10-6-7-4-2-3-5-8(7)11-12/h2-5H,6H2,1H3",OUNSASXJZHBGAI-UHFFFAOYSA-N,C8H9O3PS,216.2,216.0010023,2.7,59.8,233,0,0,4,1,13,,,0,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1
"Phosphoramidic acid, phenyl-, diphenyl ester",3848-51-9,19708,N-diphenoxyphosphorylaniline,C1=CC=C(C=C1)NP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3,"InChI=1S/C18H16NO3P/c20-23(19-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H,(H,19,20)",FZNQHYXSPNEFAI-UHFFFAOYSA-N,C18H16NO3P,325.3,325.0867804,5,47.6,362,0,1,4,6,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,7-Methanoisobenzofuran-1(3H)-one, 3a,4,7,7a-tetrahydro-4,5,6,7,8,8-hexachloro-",3868-61-9,145710,"1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one",C1C2C(C(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,"InChI=1S/C9H4Cl6O2/c10-4-5(11)8(13)3-2(1-17-6(3)16)7(4,12)9(8,14)15/h2-3H,1H2",GIUKJJMBQBRFTN-UHFFFAOYSA-N,C9H4Cl6O2,356.8,355.831295,2.9,26.3,474,0,0,2,0,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphine selenide, triphenyl-",3878-44-2,298720,triphenyl(selanylidene)-lambda5-phosphane,C1=CC=C(C=C1)P(=[Se])(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C18H15PSe/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",ZFVJLNKVUKIPPI-UHFFFAOYSA-N,C18H15PSe,341.3,342.00766,,0,281,0,0,0,3,20,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
Neomycin A,3947-65-7,72392,"(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxyoxane-3,4-diol",C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O)O)N,"InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1",SYJXFKPQNSDJLI-HKEUSBCWSA-N,C12H26N4O6,322.36,322.1852346,-5.4,203,378,0,8,10,3,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Isoquinolinium, 2-methyl-, iodide",3947-77-1,19850,2-methylisoquinolin-2-ium iodide,C[N+]1=CC2=CC=CC=C2C=C1.[I-],"InChI=1S/C10H10N.HI/c1-11-7-6-9-4-2-3-5-10(9)8-11;/h2-8H,1H3;1H/q+1;/p-1",ITZIDCFSZHTXJH-UHFFFAOYSA-M,C10H10IN,271.1,270.9858,,3.9,133,0,0,1,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Stibine sulfide, triphenyl-",3958-19-8,77566,triphenyl(sulfanylidene)-lambda5-stibane,C1=CC=C(C=C1)[Sb](=S)(C2=CC=CC=C2)C3=CC=CC=C3,InChI=1S/3C6H5.S.Sb/c3*1-2-4-6-5-3-1;;/h3*1-5H;;,VLSAAACBQLMOTB-UHFFFAOYSA-N,C18H15SSb,385.1,383.99326,,32.1,281,0,0,1,3,20,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, N,N-diphenyl-",4051-56-3,101250,"N,N-diphenylbenzamide",C1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3,InChI=1S/C19H15NO/c21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,RHLIPLVNXYUJQV-UHFFFAOYSA-N,C19H15NO,273.3,273.1153641,3.9,20.3,304,0,0,1,3,21,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-phenyl-",4118-36-9,151186,"6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline",COC1=C(C=C2C(NCCC2=C1)C3=CC=CC=C3)OC,"InChI=1S/C17H19NO2/c1-19-15-10-13-8-9-18-17(12-6-4-3-5-7-12)14(13)11-16(15)20-2/h3-7,10-11,17-18H,8-9H2,1-2H3",GZGZWZVAJDFXJK-UHFFFAOYSA-N,C17H19NO2,269.34,269.1415788,3,30.5,303,0,1,3,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphoric acid, cyclohexyl diphenyl ester",4281-67-8,3034145,cyclohexyl diphenyl phosphate,C1CCC(CC1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3,"InChI=1S/C18H21O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2",CPKKNIYMTSBFIQ-UHFFFAOYSA-N,C18H21O4P,332.3,332.1177461,5,44.8,358,0,0,4,6,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Morpholinium, 4,4-dimethyl-2-hydroxy-2-phenyl-, bromide",4303-88-2,197807,"4,4-dimethyl-2-phenylmorpholin-4-ium-2-ol bromide",C[N+]1(CCOC(C1)(C2=CC=CC=C2)O)C.[Br-],"InChI=1S/C12H18NO2.BrH/c1-13(2)8-9-15-12(14,10-13)11-6-4-3-5-7-11;/h3-7,14H,8-10H2,1-2H3;1H/q+1;/p-1",VQGRNOCAQVTQAI-UHFFFAOYSA-M,C12H18BrNO2,288.18,287.05209,,29.5,224,0,1,3,1,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Piperidinone, 3,5-bis(1,3-benzodioxol-5-ylmethylene)-1-methyl-",4317-88-8,6444443,"(3Z,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-methylpiperidin-4-one",CN1C/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)/C(=C\C4=CC5=C(C=C4)OCO5)/C1,"InChI=1S/C22H19NO5/c1-23-10-16(6-14-2-4-18-20(8-14)27-12-25-18)22(24)17(11-23)7-15-3-5-19-21(9-15)28-13-26-19/h2-9H,10-13H2,1H3/b16-6-,17-7+",ZZPIUIDYNOMUQX-JTSIYALXSA-N,C22H19NO5,377.4,377.1263227,3.3,57.2,620,0,0,6,2,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenesulfonamide, N,N'-ethylenebis-",4392-52-3,72892,N-[2-(benzenesulfonamido)ethyl]benzenesulfonamide,C1=CC=C(C=C1)S(=O)(=O)NCCNS(=O)(=O)C2=CC=CC=C2,"InChI=1S/C14H16N2O4S2/c17-21(18,13-7-3-1-4-8-13)15-11-12-16-22(19,20)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2",MNWWPCXFYMPQSJ-UHFFFAOYSA-N,C14H16N2O4S2,340.4,340.0551493,1.5,109,472,0,2,6,7,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Morpholineethanol, alpha-phenyl-",4432-34-2,20491,2-morpholin-4-yl-1-phenylethanol,C1COCCN1CC(C2=CC=CC=C2)O,"InChI=1S/C12H17NO2/c14-12(11-4-2-1-3-5-11)10-13-6-8-15-9-7-13/h1-5,12,14H,6-10H2",CKCUWHAMJDWXOH-UHFFFAOYSA-N,C12H17NO2,207.27,207.1259288,0.5,32.7,174,0,1,3,3,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-Benzimidazole-2-thione, 1,3-dihydro-1-phenyl-",4493-32-7,720852,3-phenyl-1H-benzimidazole-2-thione,C1=CC=C(C=C1)N2C3=CC=CC=C3NC2=S,"InChI=1S/C13H10N2S/c16-13-14-11-8-4-5-9-12(11)15(13)10-6-2-1-3-7-10/h1-9H,(H,14,16)",JKIGHOGKGARVAG-UHFFFAOYSA-N,C13H10N2S,226.3,226.0564695,2.9,47.4,273,0,1,1,1,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"6-Oxa-3-thiabicyclo(3.1.0)hexane 3,3-dioxide",11/9/09,20597,"6-oxa-3lambda6-thiabicyclo[3.1.0]hexane 3,3-dioxide",C1C2C(O2)CS1(=O)=O,"InChI=1S/C4H6O3S/c5-8(6)1-3-4(2-8)7-3/h3-4H,1-2H2",SZAIAWVGWTXVMB-UHFFFAOYSA-N,C4H6O3S,134.16,134.0037652,-0.9,55.1,184,0,0,3,0,8,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"as-Triazine, 3-amino-3,6-diphenyl-",4511-99-3,78268,"5,6-diphenyl-1,2,4-triazin-3-amine",C1=CC=C(C=C1)C2=C(N=NC(=N2)N)C3=CC=CC=C3,"InChI=1S/C15H12N4/c16-15-17-13(11-7-3-1-4-8-11)14(18-19-15)12-9-5-2-6-10-12/h1-10H,(H2,16,17,19)",NZRHOWNFGASHMN-UHFFFAOYSA-N,C15H12N4,248.28,248.1061964,2.2,64.7,271,0,1,4,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"as-Triazin-3-ol, 5,6-diphenyl-",4512-00-9,20601,"5,6-diphenyl-2H-1,2,4-triazin-3-one",C1=CC=C(C=C1)C2=NC(=O)NN=C2C3=CC=CC=C3,"InChI=1S/C15H11N3O/c19-15-16-13(11-7-3-1-4-8-11)14(17-18-15)12-9-5-2-6-10-12/h1-10H,(H,16,18,19)",VTOJJDGNQGCRLP-UHFFFAOYSA-N,C15H11N3O,249.27,249.090212,2.6,53.8,402,0,1,2,2,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-((4-hydroxyphenyl)methyl)-, (3S,8aS)-",2/4/49,119404,"(3S,8aS)-3-[(4-hydroxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione",C1C[C@H]2C(=O)N[C@H](C(=O)N2C1)CC3=CC=C(C=C3)O,"InChI=1S/C14H16N2O3/c17-10-5-3-9(4-6-10)8-11-14(19)16-7-1-2-12(16)13(18)15-11/h3-6,11-12,17H,1-2,7-8H2,(H,15,18)/t11-,12-/m0/s1",LSGOTAXPWMCUCK-RYUDHWBXSA-N,C14H16N2O3,260.29,260.1160924,1,69.6,377,0,2,3,2,19,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"Quinoline, 4-(hydroxyamino)-, 1-oxide",4637-56-3,5360001,(NE)-N-(1-hydroxyquinolin-4-ylidene)hydroxylamine,C1=CC=C2C(=C1)/C(=N/O)/C=CN2O,"InChI=1S/C9H8N2O2/c12-10-8-5-6-11(13)9-4-2-1-3-7(8)9/h1-6,12-13H/b10-8+",KCGKBOFRVKLKOO-CSKARUKUSA-N,C9H8N2O2,176.17,176.0585775,1.5,56.1,250,0,2,4,0,13,,,0,0,0,1,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"Cytosine, 5-(p-aminophenyl)-",4650-29-7,20762,6-amino-5-(4-aminophenyl)-1H-pyrimidin-2-one,C1=CC(=CC=C1C2=C(NC(=O)N=C2)N)N,"InChI=1S/C10H10N4O/c11-7-3-1-6(2-4-7)8-5-13-10(15)14-9(8)12/h1-5H,11H2,(H3,12,13,14,15)",ORPMTKOOLDZBDA-UHFFFAOYSA-N,C10H10N4O,202.21,202.085461,-0.2,93.5,326,0,3,3,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanone, 1,2-bis(1,3-benzodioxol-5-yl)-2-hydroxy-",4720-82-5,97786,"1,2-bis(1,3-benzodioxol-5-yl)-2-hydroxyethanone",C1OC2=C(O1)C=C(C=C2)C(C(=O)C3=CC4=C(C=C3)OCO4)O,"InChI=1S/C16H12O6/c17-15(9-1-3-11-13(5-9)21-7-19-11)16(18)10-2-4-12-14(6-10)22-8-20-12/h1-6,15,17H,7-8H2",BNSRFLSWNIACBZ-UHFFFAOYSA-N,C16H12O6,300.26,300.0633881,2.3,74.2,427,0,1,6,3,22,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Adipimide,4726-93-6,20849,"azepane-2,7-dione",C1CCC(=O)NC(=O)C1,"InChI=1S/C6H9NO2/c8-5-3-1-2-4-6(9)7-5/h1-4H2,(H,7,8,9)",OSNDUYDDOHEKEE-UHFFFAOYSA-N,C6H9NO2,127.14,127.0633285,-0.3,46.2,126,0,1,2,0,9,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Indole, 5,6-dibenzyloxy-",4790-19-6,20920,"5,6-bis(phenylmethoxy)-1H-indole",C1=CC=C(C=C1)COC2=C(C=C3C(=C2)C=CN3)OCC4=CC=CC=C4,"InChI=1S/C22H19NO2/c1-3-7-17(8-4-1)15-24-21-13-19-11-12-23-20(19)14-22(21)25-16-18-9-5-2-6-10-18/h1-14,23H,15-16H2",JEUGWNYIRZKHDS-UHFFFAOYSA-N,C22H19NO2,329.4,329.1415788,5,34.3,389,0,1,2,6,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiophene-3-carboxylic acid, 2-amino-4-phenyl-, ethyl ester",4815-36-5,73242,ethyl 2-amino-4-phenylthiophene-3-carboxylate,CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)N,"InChI=1S/C13H13NO2S/c1-2-16-13(15)11-10(8-17-12(11)14)9-6-4-3-5-7-9/h3-8H,2,14H2,1H3",WYTHTMKMOSPACP-UHFFFAOYSA-N,C13H13NO2S,247.31,247.0666998,3.7,80.6,266,0,1,4,4,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Vincamone,4880-88-0,71203,"(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-one",CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=O)C2,"InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3/t18-,19+/m1/s1",WYJAPUKIYAZSEM-MOPGFXCFSA-N,C19H22N2O,294.4,294.1732133,3,25.2,492,0,0,2,1,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"as-Triazine-3,5(2H,4H)-dione, 6-(butylthio)-",4968-47-2,97242,"6-butylsulfanyl-6H-1,2,4-triazine-3,5-dione",CCCCSC1C(=O)NC(=O)N=N1,"InChI=1S/C7H11N3O2S/c1-2-3-4-13-6-5(11)8-7(12)10-9-6/h6H,2-4H2,1H3,(H,8,11,12)",TWKNNDREUIYLEO-UHFFFAOYSA-N,C7H11N3O2S,201.25,201.0571978,1.8,96.2,242,0,1,4,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Formamidine, N,N'-dicyclohexyl-1-morpholino-",4975-73-9,21079,"N,N'-dicyclohexylmorpholine-4-carboximidamide",C1CCC(CC1)NC(=NC2CCCCC2)N3CCOCC3,"InChI=1S/C17H31N3O/c1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16/h15-16H,1-14H2,(H,18,19)",OZNYZQOTXQSUJM-UHFFFAOYSA-N,C17H31N3O,293.4,293.2467126,2.9,36.9,327,0,1,2,4,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Benzoxathiol-2-one, 6-hydroxy-",4991-65-5,72139,"6-hydroxy-1,3-benzoxathiol-2-one",C1=CC2=C(C=C1O)OC(=O)S2,"InChI=1S/C7H4O3S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3,8H",SLYPOVJCSQHITR-UHFFFAOYSA-N,C7H4O3S,168.17,167.9881152,1.9,71.8,183,0,1,4,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Rhodanine, 5-(4-pyridylmethylene)-",5061-42-7,1381461,"(5Z)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one",C1=CN=CC=C1/C=C\2/C(=O)NC(=S)S2,"InChI=1S/C9H6N2OS2/c12-8-7(14-9(13)11-8)5-6-1-3-10-4-2-6/h1-5H,(H,11,12,13)/b7-5-",KNTSNHQKRQFSSZ-ALCCZGGFSA-N,C9H6N2OS2,222.3,221.9921552,1.7,99.4,295,0,1,4,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3(2H)-Pyridazinone, 4,5-dihydro-6-methyl-",8/4/57,78834,"3-methyl-4,5-dihydro-1H-pyridazin-6-one",CC1=NNC(=O)CC1,"InChI=1S/C5H8N2O/c1-4-2-3-5(8)7-6-4/h2-3H2,1H3,(H,7,8)",VOTFXESXPPEARL-UHFFFAOYSA-N,C5H8N2O,112.13,112.0636629,-0.7,41.5,139,0,1,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperidinium, 2-hydroxymethyl-1,1-dimethyl-, methanesulfonate, benzilate",5205-82-3,31799,"(1,1-dimethylpiperidin-1-ium-2-yl)methyl 2-hydroxy-2,2-diphenylacetate;methyl sulfate",C[N+]1(CCCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.COS(=O)(=O)[O-],"InChI=1S/C22H28NO3.CH4O4S/c1-23(2)16-10-9-15-20(23)17-26-21(24)22(25,18-11-5-3-6-12-18)19-13-7-4-8-14-19;1-5-6(2,3)4/h3-8,11-14,20,25H,9-10,15-17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",AXKJGGRSAVLXTE-UHFFFAOYSA-M,C23H31NO7S,465.6,465.1821235,,121,537,0,1,7,6,32,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Quinoxaline, 2,3-diphenyl-, 1,4-dioxide",5227-56-5,145784,"4-oxido-2,3-diphenylquinoxalin-1-ium 1-oxide",C1=CC=C(C=C1)C2=C([N+](=O)C3=CC=CC=C3N2[O-])C4=CC=CC=C4,InChI=1S/C20H14N2O2/c23-21-17-13-7-8-14-18(17)22(24)20(16-11-5-2-6-12-16)19(21)15-9-3-1-4-10-15/h1-14H,NPTPZLXFFOWFIE-UHFFFAOYSA-N,C20H14N2O2,314.3,314.1055277,3.2,46.4,460,0,0,3,2,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Oxirane, 2-((2-naphthyloxy)methyl)-",5234-06-0,92995,2-(naphthalen-2-yloxymethyl)oxirane,C1C(O1)COC2=CC3=CC=CC=C3C=C2,"InChI=1S/C13H12O2/c1-2-4-11-7-12(6-5-10(11)3-1)14-8-13-9-15-13/h1-7,13H,8-9H2",BKYSFVJCBRHGMA-UHFFFAOYSA-N,C13H12O2,200.23,200.0837296,3.2,21.8,217,0,0,2,3,15,,,1,0,1,0,0,1,1,1,0,0,1,0,0,1,0,0,1,1,0,1
"1,4-Oxathiin-3-carboxanilide, 5,6-dihydro-2-methyl-, 4,4-dioxide",5259-88-1,21330,"6-methyl-4,4-dioxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide",CC1=C(S(=O)(=O)CCO1)C(=O)NC2=CC=CC=C2,"InChI=1S/C12H13NO4S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)",AMEKQAFGQBKLKX-UHFFFAOYSA-N,C12H13NO4S,267.3,267.0565291,0.7,80.9,455,0,1,4,2,18,219 °C,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperazine, 1-methyl-3-phenyl-",5271-27-2,2760009,1-methyl-3-phenylpiperazine,CN1CCNC(C1)C2=CC=CC=C2,"InChI=1S/C11H16N2/c1-13-8-7-12-11(9-13)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3",IRMBVBDXXYXPEW-UHFFFAOYSA-N,C11H16N2,176.26,176.1313485,1.1,15.3,152,0,1,2,1,13,,,0,1,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Phthalimide, N-1-naphthyl-",5333-99-3,79252,"2-naphthalen-1-ylisoindole-1,3-dione",C1=CC=C2C(=C1)C=CC=C2N3C(=O)C4=CC=CC=C4C3=O,InChI=1S/C18H11NO2/c20-17-14-9-3-4-10-15(14)18(21)19(17)16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,LPCGITYWEFRRFS-UHFFFAOYSA-N,C18H11NO2,273.3,273.0789786,3.6,37.4,422,0,0,2,1,21,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperazine, 1-benzyl-2-phenyl-",5368-33-2,98031,1-benzyl-2-phenylpiperazine,C1CN(C(CN1)C2=CC=CC=C2)CC3=CC=CC=C3,"InChI=1S/C17H20N2/c1-3-7-15(8-4-1)14-19-12-11-18-13-17(19)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2",FELMQTQLBFMOHQ-UHFFFAOYSA-N,C17H20N2,252.35,252.1626486,2.6,15.3,254,0,1,2,3,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Furan, 2-((2,3-epoxypropoxy)methyl)-",5380-87-0,94306,2-(oxiran-2-ylmethoxymethyl)furan,C1C(O1)COCC2=CC=CO2,"InChI=1S/C8H10O3/c1-2-7(10-3-1)4-9-5-8-6-11-8/h1-3,8H,4-6H2",RUGWIVARLJMKDM-UHFFFAOYSA-N,C8H10O3,154.16,154.0629942,0.4,34.9,127,0,0,3,4,11,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Phthalide, 3-phenyl-",11/8/98,95365,3-phenyl-3H-2-benzofuran-1-one,C1=CC=C(C=C1)C2C3=CC=CC=C3C(=O)O2,"InChI=1S/C14H10O2/c15-14-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-9,13H",SQFMIHCARVMICF-UHFFFAOYSA-N,C14H10O2,210.23,210.0680796,2.6,26.3,268,0,0,2,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Boric acid, tris(2-cyclohexylcyclohexyl) ester",5440-19-7,21581,tris(2-cyclohexylcyclohexyl) borate,B(OC1CCCCC1C2CCCCC2)(OC3CCCCC3C4CCCCC4)OC5CCCCC5C6CCCCC6,"InChI=1S/C36H63BO3/c1-4-16-28(17-5-1)31-22-10-13-25-34(31)38-37(39-35-26-14-11-23-32(35)29-18-6-2-7-19-29)40-36-27-15-12-24-33(36)30-20-8-3-9-21-30/h28-36H,1-27H2",SFCBPVBDIBWEJM-UHFFFAOYSA-N,C36H63BO3,554.7,554.487026,,27.7,618,0,0,3,9,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, N,N'-bis(2-phenylethyl)-",5467-84-5,95244,"1,3-bis(2-phenylethyl)urea",C1=CC=C(C=C1)CCNC(=O)NCCC2=CC=CC=C2,"InChI=1S/C17H20N2O/c20-17(18-13-11-15-7-3-1-4-8-15)19-14-12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,18,19,20)",VMQLWVGHPWFHEI-UHFFFAOYSA-N,C17H20N2O,268.35,268.1575633,3.3,41.1,242,0,2,1,6,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Alaninamide, N-carboxy-beta-alanyl-L-tryptophyl-L-methionyl-L-aspartylphenyl-, N-tert-butylester, L-",5534-95-2,9853654,(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid,CC(C)(C)OC(=O)NCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N,"InChI=1S/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t26-,27-,28-,29-/m0/s1",NEYNJQRKHLUJRU-DZUOILHNSA-N,C37H49N7O9S,767.9,767.3312473,1.5,276,1310,0,8,10,22,54,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Glutarimide, 2-(1-benzyl-4-piperidyl)-2-phenyl-, hydrochloride",5633-14-7,21846,"3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione;hydrochloride",C1CN(CCC1C2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=CC=C4.Cl,"InChI=1S/C23H26N2O2.ClH/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18;/h1-10,20H,11-17H2,(H,24,26,27);1H",XSOOSXRNMDUWEM-UHFFFAOYSA-N,C23H27ClN2O2,398.9,398.1761058,,49.4,528,0,2,3,4,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Diazepin-2-thione, hexahydro-",4/9/00,736589,"1,3-diazepane-2-thione",C1CCNC(=S)NC1,"InChI=1S/C5H10N2S/c8-5-6-3-1-2-4-7-5/h1-4H2,(H2,6,7,8)",ZLJLVKBAMJHNJH-UHFFFAOYSA-N,C5H10N2S,130.21,130.0564695,-0.3,56.2,82,0,2,1,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,5-Isoxazoledione, 3-methyl-, 4-((o-chlorophenyl)hydrazone)",5707-69-7,21929,"4-[(2-chlorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one",CC1=C(C(=O)ON1)N=NC2=CC=CC=C2Cl,"InChI=1S/C10H8ClN3O2/c1-6-9(10(15)16-14-6)13-12-8-5-3-2-4-7(8)11/h2-5,14H,1H3",ZRGHYHHYHYAJBT-UHFFFAOYSA-N,C10H8ClN3O2,237.64,237.0305042,3.3,63.1,354,0,1,5,2,16,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,4-Oxadiazole, 2-amino-5-(2-pyridyl)-",5711-72-8,21939,"5-pyridin-2-yl-1,3,4-oxadiazol-2-amine",C1=CC=NC(=C1)C2=NN=C(O2)N,"InChI=1S/C7H6N4O/c8-7-11-10-6(12-7)5-3-1-2-4-9-5/h1-4H,(H2,8,11)",HXXADNULCQWUAF-UHFFFAOYSA-N,C7H6N4O,162.15,162.0541608,0,77.8,154,0,1,5,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,4-Oxadiazole, 2-amino-5-(3-pyridyl)-",5711-73-9,21940,"5-pyridin-3-yl-1,3,4-oxadiazol-2-amine",C1=CC(=CN=C1)C2=NN=C(O2)N,"InChI=1S/C7H6N4O/c8-7-11-10-6(12-7)5-2-1-3-9-4-5/h1-4H,(H2,8,11)",JMAJFOJPCCULLE-UHFFFAOYSA-N,C7H6N4O,162.15,162.0541608,0,77.8,154,0,1,5,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexanol, 1,1'-butadiynylenedi-",10/5/68,79835,"1-[4-(1-hydroxycyclohexyl)buta-1,3-diynyl]cyclohexan-1-ol",C1CCC(CC1)(C#CC#CC2(CCCCC2)O)O,"InChI=1S/C16H22O2/c17-15(9-3-1-4-10-15)13-7-8-14-16(18)11-5-2-6-12-16/h17-18H,1-6,9-12H2",KJOFBMLTQUHDCL-UHFFFAOYSA-N,C16H22O2,246.34,246.1619799,2.5,40.5,369,0,2,2,3,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Mercury, (1,2,3,4,7,7-hexachlorobicyclo(2.2.1)hept-2-ene-5,6-dicarboximido)phenyl-",5834-81-1,110719,"(1,7,8,9,10,10-hexachloro-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-phenylmercury",C1=CC=C(C=C1)[Hg]N2C(=O)C3C(C2=O)C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl,"InChI=1S/C9H3Cl6NO2.C6H5.Hg/c10-3-4(11)8(13)2-1(5(17)16-6(2)18)7(3,12)9(8,14)15;1-2-4-6-5-3-1;/h1-2H,(H,16,17,18);1-5H;/q;;+1/p-1",FNZAAEDNGCUHJL-UHFFFAOYSA-M,C15H7Cl6HgNO2,646.5,646.828488,,37.4,662,0,0,2,2,25,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a,7-trimethyl-, (1R,4aR,4bS,7S,10aR)-",5835-26-7,442048,"(1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid",C[C@@]1(CC[C@H]2C(=CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)C1)C=C,"InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1",MXYATHGRPJZBNA-KRFUXDQASA-N,C20H30O2,302.5,302.2245802,5.3,37.3,534,0,1,2,2,22,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 1,2,3,4-tetrahydro-1-phenyl-1,4-naphthalenedicarboxylate (ester), sulfate (1:1)",5908-89-4,201397,"1-O-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-O-phenyl 4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate;sulfuric acid;hydrate",CN1C2CCC1CC(C2)C3(CCC(C4=CC=CC=C43)C(=O)OC5CC6CCC(C5)N6C)C(=O)OC7=CC=CC=C7.O.OS(=O)(=O)O,"InChI=1S/C34H42N2O4.H2O4S.H2O/c1-35-23-12-13-24(35)19-22(18-23)34(33(38)40-27-8-4-3-5-9-27)17-16-30(29-10-6-7-11-31(29)34)32(37)39-28-20-25-14-15-26(21-28)36(25)2;1-5(2,3)4;/h3-11,22-26,28,30H,12-21H2,1-2H3;(H2,1,2,3,4);1H2",RDFVUAKFQVGDJQ-UHFFFAOYSA-N,C34H46N2O9S,658.8,658.2924022,,143,1000,0,3,11,7,46,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
4-Imidazolin-2-one,5918-93-4,22208,"1,3-dihydroimidazol-2-one",C1=CNC(=O)N1,"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)",AICIYIDUYNFPRY-UHFFFAOYSA-N,C3H4N2O,84.08,84.03236276,-0.9,41.1,87,0,2,1,0,6,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-, compd. with N,N'-dibenzylethylenediamine (2:1)",5928-84-7,64725,"N,N'-dibenzylethane-1,2-diamine;bis((2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid)",CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2,"InChI=1S/2C16H18N2O5S.C16H20N2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2/t2*11-,12+,14-;/m11./s1",BBTOYUUSUQNIIY-ANPZCEIESA-N,C48H56N6O10S2,941.1,940.3499344,,267,718,0,6,14,17,66,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Phosphoric acid, (1-methylethylidene)di-4,1-phenylene tetraphenyl ester",5945-33-5,9874825,[4-[2-(4-diphenoxyphosphoryloxyphenyl)propan-2-yl]phenyl] diphenyl phosphate,CC(C)(C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)OP(=O)(OC5=CC=CC=C5)OC6=CC=CC=C6,"InChI=1S/C39H34O8P2/c1-39(2,31-23-27-37(28-24-31)46-48(40,42-33-15-7-3-8-16-33)43-34-17-9-4-10-18-34)32-25-29-38(30-26-32)47-49(41,44-35-19-11-5-12-20-35)45-36-21-13-6-14-22-36/h3-30H,1-2H3",BQPNUOYXSVUVMY-UHFFFAOYSA-N,C39H34O8P2,692.6,692.172892,10.8,89.5,931,0,0,8,14,49,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-(hydroxymethyl)-, (1S,4aS,7R,7aS)-",5945-50-6,73466,"(1S,4aS,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid",C1=C[C@@]([C@@H]2[C@H]1C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)(CO)O,"InChI=1S/C16H22O11/c17-3-8-10(19)11(20)12(21)15(26-8)27-14-9-6(1-2-16(9,24)5-18)7(4-25-14)13(22)23/h1-2,4,6,8-12,14-15,17-21,24H,3,5H2,(H,22,23)/t6-,8-,9-,10-,11+,12-,14+,15+,16+/m1/s1",HPWWQPXTUDMRBI-NJPMDSMTSA-N,C16H22O11,390.34,390.1162115,-3.1,186,634,0,7,11,5,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ergotamine, dihydro-, tartrate (2:1)(salt)",5989-77-5,3037136,"bis((6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide);(2R,3R)-2,3-dihydroxybutanedioic acid",C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C.C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/2C33H37N5O5.C4H6O6/c2*1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;5-1(3(7)8)2(6)4(9)10/h2*3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);1-2,5-6H,(H,7,8)(H,9,10)/t2*21-,23-,25-,26+,27+,32-,33+;1-,2-/m111/s1",AYYQJUDESMECLY-QCMZQTNXSA-N,C70H80N10O16,1317.4,1316.575377,,351,1300,0,10,18,11,96,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-Pyrido(1,2-a)pyrimidine, 3,4-dihydro-3-hydroxy-, hydrochloride",5993-97-5,197837,"3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-ol;hydrochloride",C1C(CN2C=CC=CC2=N1)O.Cl,"InChI=1S/C8H10N2O.ClH/c11-7-5-9-8-3-1-2-4-10(8)6-7;/h1-4,7,11H,5-6H2;1H",VAUHXGBJYDPUKI-UHFFFAOYSA-N,C8H11ClN2O,186.64,186.0559907,,35.8,242,0,2,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Propanone, 3-(3,4-dihydroxyphenyl)-1-(3-beta-D-glucopyranosyl-2,4,6-trihydroxyphenyl)-",6027-43-6,11282394,"3-(3,4-dihydroxyphenyl)-1-[2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propan-1-one",C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C(=C2O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O,"InChI=1S/C21H24O11/c22-7-14-17(28)19(30)20(31)21(32-14)16-13(27)6-12(26)15(18(16)29)10(24)4-2-8-1-3-9(23)11(25)5-8/h1,3,5-6,14,17,19-23,25-31H,2,4,7H2/t14-,17-,19+,20-,21+/m1/s1",VCPUQYKWJRESOC-VJXVFPJBSA-N,C21H24O11,452.4,452.1318616,-0.2,208,633,0,9,11,6,32,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphonium, phenacyltriphenyl-, bromide",6048-29-9,197064,phenacyl(triphenyl)phosphanium bromide,C1=CC=C(C=C1)C(=O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-],"InChI=1S/C26H22OP.BrH/c27-26(22-13-5-1-6-14-22)21-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h1-20H,21H2;1H/q+1;/p-1",AEHDSYHVTDJGDN-UHFFFAOYSA-M,C26H22BrOP,461.3,460.05916,,17.1,431,0,0,2,6,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,7-Epoxyisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-",6118-51-0,513915,"(1S,2R,6S,7R)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione",C1=C[C@H]2[C@H]3[C@@H]([C@@H]1O2)C(=O)OC3=O,"InChI=1S/C8H6O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h1-6H/t3-,4+,5-,6+",QQYNRBAAQFZCLF-FBXFSONDSA-N,C8H6O4,166.13,166.0266087,-0.5,52.6,278,0,0,4,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Methanesulfonic acid, ((2,3-dimethyl-1-phenyl-5-oxo-3-pyrazolin-4-yl)methylamino)-,magnesium salt",6150-97-6,10326858,"magnesium bis([(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate)",CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Mg+2],"InChI=1S/2C13H17N3O4S.Mg/c2*1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;/h2*4-8H,9H2,1-3H3,(H,18,19,20);/q;;+2/p-2",NHMUJYOBLYTIKO-UHFFFAOYSA-L,C26H32MgN6O8S2,645,644.157346,,185,533,0,0,12,6,43,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-, sulfate, trihydrate",6190-33-6,9424,"bis(16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene);sulfate",COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[O-]S(=O)(=O)[O-],"InChI=1S/2C20H18NO4.H2O4S/c2*1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;1-5(2,3)4/h2*3-4,7-10H,5-6,11H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2",OJVABJMSSDUECT-UHFFFAOYSA-L,C40H36N2O12S,768.8,768.1988958,,170,551,0,0,12,4,55,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4(1H,3H)-Pyrimidinedione, dihydro-6-phenyl-",6300-95-4,239233,"6-phenyl-1,3-diazinane-2,4-dione",C1C(NC(=O)NC1=O)C2=CC=CC=C2,"InChI=1S/C10H10N2O2/c13-9-6-8(11-10(14)12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12,13,14)",GTYVCYXIFVPPIP-UHFFFAOYSA-N,C10H10N2O2,190.2,190.0742276,0.4,58.2,247,0,2,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiazole, 2-amino-4,5-diphenyl-",6318-74-7,73222,"4,5-diphenyl-1,3-thiazol-2-amine",C1=CC=C(C=C1)C2=C(SC(=N2)N)C3=CC=CC=C3,"InChI=1S/C15H12N2S/c16-15-17-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10H,(H2,16,17)",XDWGEGZDMFHZBL-UHFFFAOYSA-N,C15H12N2S,252.3,252.0721196,3.9,67.2,259,0,1,3,2,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cinnoline, 4-styryl-",6334-39-0,22797,4-(2-phenylethenyl)cinnoline,C1=CC=C(C=C1)C=CC2=CN=NC3=CC=CC=C32,InChI=1S/C16H12N2/c1-2-6-13(7-3-1)10-11-14-12-17-18-16-9-5-4-8-15(14)16/h1-12H,VQXIUGSZPAZYGV-UHFFFAOYSA-N,C16H12N2,232.28,232.1000484,3.5,25.8,281,0,0,2,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1-phenyl-2-thio-3-(p-tolylsulfonyl)-",6361-95-1,726363,1-(4-methylphenyl)sulfonyl-3-phenylthiourea,CC1=CC=C(C=C1)S(=O)(=O)NC(=S)NC2=CC=CC=C2,"InChI=1S/C14H14N2O2S2/c1-11-7-9-13(10-8-11)20(17,18)16-14(19)15-12-5-3-2-4-6-12/h2-10H,1H3,(H2,15,16,19)",YRWXBKFHKPTRKR-UHFFFAOYSA-N,C14H14N2O2S2,306.4,306.04967,3.7,98.7,417,0,2,3,3,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(1,1'-Biphenyl)-2,2'-disulfonic acid, 4,4'-bis((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-, disodium salt",6375-55-9,22866,disodium;5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-2-[4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-2-sulfonatophenyl]benzenesulfonate,CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2)C3=C(C=C(C=C3)N=NC4C(=NN(C4=O)C5=CC=CC=C5)C)S(=O)(=O)[O-])S(=O)(=O)[O-])C6=CC=CC=C6.[Na+].[Na+],"InChI=1S/C32H26N8O8S2.2Na/c1-19-29(31(41)39(37-19)23-9-5-3-6-10-23)35-33-21-13-15-25(27(17-21)49(43,44)45)26-16-14-22(18-28(26)50(46,47)48)34-36-30-20(2)38-40(32(30)42)24-11-7-4-8-12-24;;/h3-18,29-30H,1-2H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2",ZRYQXQUPWQNYSX-UHFFFAOYSA-L,C32H24N8Na2O8S2,758.7,758.0953907,,246,1480,0,0,14,7,52,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
Chartreusin,6377-18-0,5281394,"3-[(2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-8-hydroxy-15-methyl-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione",C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=CC3=C2C4=C5C6=C(C=CC(=C6C(=O)O4)C)OC(=O)C5=C3O)O[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)OC)O)O)O,"InChI=1S/C32H32O14/c1-10-8-9-15-18-16(10)29(38)45-26-17-13(23(35)20(19(18)26)30(39)43-15)6-5-7-14(17)44-32-28(24(36)21(33)11(2)42-32)46-31-25(37)27(40-4)22(34)12(3)41-31/h5-9,11-12,21-22,24-25,27-28,31-37H,1-4H3/t11-,12-,21+,22+,24+,25-,27+,28-,31-,32+/m1/s1",PONPPNYZKHNPKZ-RYBWXQSLSA-N,C32H32O14,640.6,640.1792057,2.1,200,1150,0,5,14,5,46,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 3-((phenethylamino)methyl)-, hydrochloride",6389-60-2,201618,2-phenyl-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride,C1=CC=C(C=C1)CCNCC2=CN=CC=C2.Cl,"InChI=1S/C14H16N2.ClH/c1-2-5-13(6-3-1)8-10-16-12-14-7-4-9-15-11-14;/h1-7,9,11,16H,8,10,12H2;1H",WTROJZJURULLHY-UHFFFAOYSA-N,C14H17ClN2,248.75,248.1080262,,24.9,176,0,2,2,5,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Dioxolane, 2,2'-(1,3-propanediyl)bis-",6543-04-0,160856,"2-[3-(1,3-dioxolan-2-yl)propyl]-1,3-dioxolane",C1COC(O1)CCCC2OCCO2,"InChI=1S/C9H16O4/c1(2-8-10-4-5-11-8)3-9-12-6-7-13-9/h8-9H,1-7H2",WBXFMDZISMIHHR-UHFFFAOYSA-N,C9H16O4,188.22,188.104859,0.6,36.9,123,0,0,4,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzo(b)-1,5-naphthyridine, 7,10-dichloro-2-methoxy-",6626-40-0,23107,"7,10-dichloro-2-methoxybenzo[b][1,5]naphthyridine",COC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)Cl,"InChI=1S/C13H8Cl2N2O/c1-18-11-5-4-9-13(17-11)12(15)8-3-2-7(14)6-10(8)16-9/h2-6H,1H3",KHPZCNJKNIHKPI-UHFFFAOYSA-N,C13H8Cl2N2O,279.12,278.0013683,4.1,35,305,0,0,3,1,18,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrene, 4,5-dihydro-",6628-98-4,23111,"4,5-dihydropyrene",C1CC2=CC=CC3=C2C4=C(C=CC=C41)C=C3,"InChI=1S/C16H12/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-7,9H,8,10H2",WPCIUCNVWJNRCD-UHFFFAOYSA-N,C16H12,204.27,204.0939004,5.2,0,241,0,0,0,0,16,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
7-Oxabicyclo(4.1.0)hept-2-ene,6705-51-7,11094544,"(1S,6R)-7-oxabicyclo[4.1.0]hept-2-ene",C1C[C@@H]2[C@@H](O2)C=C1,"InChI=1S/C6H8O/c1-2-4-6-5(3-1)7-6/h1,3,5-6H,2,4H2/t5-,6+/m0/s1",ILSLNOWZSKKNJQ-NTSWFWBYSA-N,C6H8O,96.13,96.05751487,1,12.5,107,0,0,1,0,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0
Bicyclobutylidine,6708-14-1,23174,cyclobutylidenecyclobutane,C1CC(=C2CCC2)C1,InChI=1S/C8H12/c1-3-7(4-1)8-5-2-6-8/h1-6H2,ANQVAFUCYRTKOQ-UHFFFAOYSA-N,C8H12,108.18,108.0939004,1.9,0,103,0,0,0,0,8,,,0,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1H-Imidazo(1,2-b)pyrazole, 2,3-dihydro-",6714-29-0,242471,"2,3-dihydro-1H-imidazo[1,2-b]pyrazole",C1CN2C(=CC=N2)N1,"InChI=1S/C5H7N3/c1-2-7-8-4-3-6-5(1)8/h1-2,6H,3-4H2",KPMVHELZNRNSMN-UHFFFAOYSA-N,C5H7N3,109.13,109.0639972,0.3,29.9,93,0,1,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrazolo(4,3-d)pyrimidine, 7-amino-3-beta-D-ribofuranosyl-",12/7/42,447199,"(2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol",C1=NC2=C(NN=C2C(=N1)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,"InChI=1S/C10H13N5O4/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(18)7(17)3(1-16)19-9/h2-3,7-9,16-18H,1H2,(H,14,15)(H2,11,12,13)/t3-,7-,8-,9+/m1/s1",KBHMEHLJSZMEMI-KSYZLYKTSA-N,C10H13N5O4,267.24,267.0967539,-2.2,150,335,0,5,8,2,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,5-Triazine-2(1H)-thione, tetrahydro-5-methyl-",6746-27-6,2525988,"5-methyl-1,3,5-triazinane-2-thione",CN1CNC(=S)NC1,"InChI=1S/C4H9N3S/c1-7-2-5-4(8)6-3-7/h2-3H2,1H3,(H2,5,6,8)",WMTPKWUDOPDAIS-UHFFFAOYSA-N,C4H9N3S,131.2,131.0517185,0,59.4,93,0,2,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ambrosa-2,11(13)-dien-12-oic acid, 6-alpha,8-beta-dihydroxy-4-oxo-, 12,8-lactone",6754-13-8,23205,"(3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione",C[C@@H]1C[C@@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)O)C(=C)C(=O)O2,"InChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10-,12-,13+,15+/m1/s1",ZVLOPMNVFLSSAA-XEPQRQSNSA-N,C15H18O4,262.3,262.1205091,1.4,63.6,506,0,1,4,0,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"beta-D-Glucopyranoside, (6aR,12aR)-6a,12a-dihydro-6H-(1,3)dioxolo(5,6)benzofuro(3,2-c)(1)benzopyran-3-yl",6807-83-6,442827,"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yl]oxy]oxane-3,4,5-triol",C1[C@@H]2[C@H](C3=C(O1)C=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC5=CC6=C(C=C25)OCO6,"InChI=1S/C22H22O10/c23-6-17-18(24)19(25)20(26)22(32-17)30-9-1-2-10-13(3-9)27-7-12-11-4-15-16(29-8-28-15)5-14(11)31-21(10)12/h1-5,12,17-26H,6-8H2/t12-,17+,18+,19-,20+,21-,22+/m0/s1",VGSYCWGXBYZLLE-QEEQPWONSA-N,C22H22O10,446.4,446.1212969,0.6,136,679,0,4,10,3,32,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Salicylic acid, compd. with 3-quinuclidinyl acetate (1:1)",6821-59-6,23260,1-azabicyclo[2.2.2]octan-3-yl acetate;2-hydroxybenzoic acid,CC(=O)OC1CN2CCC1CC2.C1=CC=C(C(=C1)C(=O)O)O,"InChI=1S/C9H15NO2.C7H6O3/c1-7(11)12-9-6-10-4-2-8(9)3-5-10;8-6-4-2-1-3-5(6)7(9)10/h8-9H,2-6H2,1H3;1-4,8H,(H,9,10)",RGVBDFIRGIDMNP-UHFFFAOYSA-N,C16H21NO5,307.34,307.1419728,,87.1,318,0,2,6,3,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Pyrrolidinone, 3-phenyl-",6836-97-1,201789,3-phenylpyrrolidin-2-one,C1CNC(=O)C1C2=CC=CC=C2,"InChI=1S/C10H11NO/c12-10-9(6-7-11-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)",BNWOFLCLCRHUTF-UHFFFAOYSA-N,C10H11NO,161.2,161.084064,1.3,29.1,173,0,1,1,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(3H)-Furanone, 4,5-dihydro-3-phenyl-",6836-98-2,23269,3-phenyloxolan-2-one,C1COC(=O)C1C2=CC=CC=C2,"InChI=1S/C10H10O2/c11-10-9(6-7-12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2",QGHNDAKWOGAJHS-UHFFFAOYSA-N,C10H10O2,162.18,162.0680796,1.9,26.3,171,0,0,2,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4-Dithiazolidine-3-thione, 5-imino-",6846-35-1,2735329,"5-amino-1,2,4-dithiazole-3-thione",C1(=NC(=S)SS1)N,"InChI=1S/C2H2N2S3/c3-1-4-2(5)7-6-1/h(H2,3,4,5)",YWZHEXZIISFIDA-UHFFFAOYSA-N,C2H2N2S3,150.3,149.9380116,0.6,121,129,0,1,3,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Furo(2,3-h)pyrrolo(3,2,1-jk)(1)benzazepin-10(2H)-one, 8-ethyldodecahydro-11-methyl-2-((2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl)-, (2S,7aR,8R,8aS,11S,11aS,11bR,11cR)-",1/2/79,100781,"(1R,3S,9R,10R,11S,14S,15S,16R)-10-ethyl-14-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one",CC[C@@H]1[C@H]2CCCCN3[C@H]2[C@H](C[C@H]3[C@@H]4C[C@@H](C(=O)O4)C)[C@@H]5[C@H]1OC(=O)[C@H]5C,"InChI=1S/C22H33NO4/c1-4-13-14-7-5-6-8-23-16(17-9-11(2)21(24)26-17)10-15(19(14)23)18-12(3)22(25)27-20(13)18/h11-20H,4-10H2,1-3H3/t11-,12-,13+,14+,15+,16-,17-,18+,19+,20-/m0/s1",GYOGHROCTSEKDY-JJDZUBOLSA-N,C22H33NO4,375.5,375.2409585,3.9,55.8,636,0,0,5,2,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,7-Cyclodecadien-1-one, 3,7-dimethyl-10-(1-methylethylidene)-, (3E,7E)-",6902-91-6,6436348,"(3E,7E)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-one",C/C/1=C\CC(=C(C)C)C(=O)C/C(=C/CC1)/C,"InChI=1S/C15H22O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h7-8H,5-6,9-10H2,1-4H3/b12-8+,13-7+",CAULGCQHVOVVRN-SWZPTJTJSA-N,C15H22O,218.33,218.1670653,3.5,17.1,363,0,0,1,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Disulfide, 2-thienyl",6911-51-9,23347,2-(thiophen-2-yldisulfanyl)thiophene,C1=CSC(=C1)SSC2=CC=CS2,InChI=1S/C8H6S4/c1-3-7(9-5-1)11-12-8-4-2-6-10-8/h1-6H,YOLFWWMPGNMXFI-UHFFFAOYSA-N,C8H6S4,230.4,229.9352349,4.1,107,123,0,0,4,3,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Pinane, 2,10-epoxy-",6931-54-0,93046,"6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]",CC1(C2CCC3(C1C2)CO3)C,"InChI=1S/C10H16O/c1-9(2)7-3-4-10(6-11-10)8(9)5-7/h7-8H,3-6H2,1-2H3",OUXAABAEPHHZPC-UHFFFAOYSA-N,C10H16O,152.23,152.1201151,2.1,12.5,209,0,0,1,0,11,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Quinoxaline, 1-oxide",6935-29-1,23363,1-oxidoquinoxalin-1-ium,C1=CC=C2C(=C1)N=CC=[N+]2[O-],InChI=1S/C8H6N2O/c11-10-6-5-9-7-3-1-2-4-8(7)10/h1-6H,OARGFWQSVACNCO-UHFFFAOYSA-N,C8H6N2O,146.15,146.0480128,0.2,38.4,140,0,0,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isonicotinic acid, furfurylidenehydrazide",6956-53-2,5469568,N-[(E)-furan-2-ylmethylideneamino]pyridine-4-carboxamide,C1=COC(=C1)/C=N/NC(=O)C2=CC=NC=C2,"InChI=1S/C11H9N3O2/c15-11(9-3-5-12-6-4-9)14-13-8-10-2-1-7-16-10/h1-8H,(H,14,15)/b13-8+",OOGABHAPRCRJSP-MDWZMJQESA-N,C11H9N3O2,215.21,215.0694765,1.2,67.5,262,0,1,4,3,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Imidazole-4-carboxamide, 5-diazo-",7008-85-7,53426585,5-diazoimidazole-4-carboxamide,C1=NC(=[N+]=[N-])C(=N1)C(=O)N,"InChI=1S/C4H3N5O/c5-3(10)2-4(9-6)8-1-7-2/h1H,(H2,5,10)",IKZLMSPFYNDYIL-UHFFFAOYSA-N,C4H3N5O,137.1,137.0337597,-0.7,69.8,282,0,1,2,1,10,,,0,1,1,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"8-Quinolinol, benzoate (salt)",7091-57-8,62626,benzoic acid;quinolin-8-ol,C1=CC=C(C=C1)C(=O)O.C1=CC2=C(C(=C1)O)N=CC=C2,"InChI=1S/C9H7NO.C7H6O2/c11-8-5-1-3-7-4-2-6-10-9(7)8;8-7(9)6-4-2-1-3-5-6/h1-6,11H;1-5H,(H,8,9)",LYMABFPLCIQGMR-UHFFFAOYSA-N,C16H13NO3,267.28,267.0895433,,70.4,241,0,2,4,1,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Oxirane, 2-((1,1'-biphenyl-2-yloxy)methyl)-",7144-65-2,97875,2-[(2-phenylphenoxy)methyl]oxirane,C1C(O1)COC2=CC=CC=C2C3=CC=CC=C3,"InChI=1S/C15H14O2/c1-2-6-12(7-3-1)14-8-4-5-9-15(14)17-11-13-10-16-13/h1-9,13H,10-11H2",DNVXWIINBUTFEP-UHFFFAOYSA-N,C15H14O2,226.27,226.0993797,3.2,21.8,235,0,0,2,4,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"m-Benzenedisulfonamide, 4-chloro-N(sup 1)-methyl-N(sup 1)-(tetrahydro-2-methylfurfuryl)-",7195-27-9,4047,"4-chloro-1-N-methyl-1-N-[(2-methyloxolan-2-yl)methyl]benzene-1,3-disulfonamide",CC1(CCCO1)CN(C)S(=O)(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N,"InChI=1S/C13H19ClN2O5S2/c1-13(6-3-7-21-13)9-16(2)23(19,20)10-4-5-11(14)12(8-10)22(15,17)18/h4-5,8H,3,6-7,9H2,1-2H3,(H2,15,17,18)",SMNOERSLNYGGOU-UHFFFAOYSA-N,C13H19ClN2O5S2,382.9,382.0423918,0.9,124,628,0,1,7,5,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"2H-1,5-Benzodioxepin, 3,4-dihydro-",7216-18-4,81635,"3,4-dihydro-2H-1,5-benzodioxepine",C1COC2=CC=CC=C2OC1,"InChI=1S/C9H10O2/c1-2-5-9-8(4-1)10-6-3-7-11-9/h1-2,4-5H,3,6-7H2",CBXMULHQEVXJDI-UHFFFAOYSA-N,C9H10O2,150.17,150.0680796,2.3,18.5,111,0,0,2,0,11,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"beta-D-Glucopyranosiduronic acid, (16-alpha,17-beta)-3,16-dihydroxyestra-1,3,5(10)-trien-17-yl",7219-89-8,5281904,"(2S,3S,4S,5R,6R)-6-[[(8R,9S,13S,14S,16R,17R)-3,16-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid",C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)CCC5=C3C=CC(=C5)O,"InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(26)21(24)33-23-19(29)17(27)18(28)20(32-23)22(30)31/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23+,24+/m1/s1",CZGFLAQOJPXVRV-FLVROIOLSA-N,C24H32O9,464.5,464.2046326,1.1,157,747,0,6,9,3,33,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3-methyl-4-oxo-, ethyl ester",7272-58-4,23697,"ethyl 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate",CCOC(=O)C1=C(C2=C(N1)CCCC2=O)C,"InChI=1S/C12H15NO3/c1-3-16-12(15)11-7(2)10-8(13-11)5-4-6-9(10)14/h13H,3-6H2,1-2H3",VQLLFMATRGJDCH-UHFFFAOYSA-N,C12H15NO3,221.25,221.1051933,1.8,59.2,303,0,1,3,3,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzimidazolium, tris(1-dodecyl-3-methyl-2-phenyl-, ferricyanide",7276-58-6,81692,tris(1-dodecyl-3-methyl-2-phenylbenzimidazol-3-ium);iron(3+);hexacyanide,CCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1C3=CC=CC=C3)C.CCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1C3=CC=CC=C3)C.CCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1C3=CC=CC=C3)C.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+3],"InChI=1S/3C26H37N2.6CN.Fe/c3*1-3-4-5-6-7-8-9-10-11-17-22-28-25-21-16-15-20-24(25)27(2)26(28)23-18-13-12-14-19-23;6*1-2;/h3*12-16,18-21H,3-11,17,22H2,1-2H3;;;;;;;/q3*+1;6*-1;+3",IXTGTIIYAKDZHU-UHFFFAOYSA-N,C84H111FeN12,1344.7,1343.840402,,169,413,0,0,12,36,97,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-Cyclohexanedicarboximide, (Z)-",7506-66-3,6992236,"(3aS,7aR)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione",C1CC[C@H]2[C@@H](C1)C(=O)NC2=O,"InChI=1S/C8H11NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h5-6H,1-4H2,(H,9,10,11)/t5-,6+",WLDMPODMCFGWAA-OLQVQODUSA-N,C8H11NO2,153.18,153.0789786,0.6,46.2,190,0,1,2,0,11,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propiophenone, 2,3-epoxy-3-phenyl-, trans-",7570-86-7,92219,phenyl-(3-phenyloxiran-2-yl)methanone,C1=CC=C(C=C1)C2C(O2)C(=O)C3=CC=CC=C3,"InChI=1S/C15H12O2/c16-13(11-7-3-1-4-8-11)15-14(17-15)12-9-5-2-6-10-12/h1-10,14-15H",UQGMJZQVDNZRKT-UHFFFAOYSA-N,C15H12O2,224.25,224.0837296,2.8,29.6,275,0,0,2,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"(1,1'-Biphenyl)-4-methanol, alpha-phenyl-",7598-80-3,95512,phenyl-(4-phenylphenyl)methanol,C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=CC=C3)O,"InChI=1S/C19H16O/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,19-20H",WMFZVLIHQVUVGO-UHFFFAOYSA-N,C19H16O,260.3,260.1201151,4.3,20.2,267,0,1,1,3,20,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclohexanemethylamine, N-cyclopropyl-",7615-85-2,202172,N-(cyclohexylmethyl)cyclopropanamine,C1CCC(CC1)CNC2CC2,"InChI=1S/C10H19N/c1-2-4-9(5-3-1)8-11-10-6-7-10/h9-11H,1-8H2",ZJWLQXHJCALARN-UHFFFAOYSA-N,C10H19N,153.26,153.1517496,2.7,12,112,0,1,1,3,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Aziridine, 1,1'-isophthaloylbis(2-methyl-",7652-64-4,24301,[3-(2-methylaziridine-1-carbonyl)phenyl]-(2-methylaziridin-1-yl)methanone,CC1CN1C(=O)C2=CC(=CC=C2)C(=O)N3CC3C,"InChI=1S/C14H16N2O2/c1-9-7-15(9)13(17)11-4-3-5-12(6-11)14(18)16-8-10(16)2/h3-6,9-10H,7-8H2,1-2H3",PQJYXFVJBSRUPG-UHFFFAOYSA-N,C14H16N2O2,244.29,244.1211778,1.3,40.2,348,0,0,2,2,18,,,0,0,0,1,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"2-Oxazolidinone, 5-phenyl-",7693-77-8,202193,"5-phenyl-1,3-oxazolidin-2-one",C1C(OC(=O)N1)C2=CC=CC=C2,"InChI=1S/C9H9NO2/c11-9-10-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)",ARILQDNHZGKJBK-UHFFFAOYSA-N,C9H9NO2,163.17,163.0633285,1.2,38.3,175,0,1,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-1,4-Benzodiazepin-2-amine, 7-chloro-5-phenyl-, 4-oxide, hydrochloride",7722-15-8,24397,"7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-imine",C1C(=N)N=C2C=CC(=CC2=C(N1O)C3=CC=CC=C3)Cl,"InChI=1S/C15H12ClN3O/c16-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)19(20)9-14(17)18-13/h1-8,17,20H,9H2",IRKXPJJKXBMOMW-UHFFFAOYSA-N,C15H12ClN3O,285.73,285.0668897,2.3,59.7,553,0,2,3,1,20,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, sodium salt, compd. with theophylline (1:1)",8002-89-9,10221451,"disodium;1,3-dimethyl-2-oxopurin-6-olate;acetate",CC(=O)[O-].CN1C(=C2C(=NC=N2)N(C1=O)C)[O-].[Na+].[Na+],"InChI=1S/C7H8N4O2.C2H4O2.2Na/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-2(3)4;;/h3,12H,1-2H3;1H3,(H,3,4);;/q;;2*+1/p-2",KXRNMXPUTQVFOA-UHFFFAOYSA-L,C9H10N4Na2O4,284.18,284.0497434,,111,394,0,0,5,0,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Vanilla tincture,8047-24-3,168010193,"4-[2-[5-(4-carbamoylphenyl)-2-[3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-4,4-dimethyl-1,3-dihydroisoquinolin-1-yl]-2-oxoethyl]benzoic acid;3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-1-[4,4-dimethyl-1-[2-(4-methylphenyl)acetyl]-5-(4-nitrophenyl)-1,3-dihydroisoquinolin-2-yl]prop-2-en-1-one;4-[2-[3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-4,4-dimethyl-1-[2-(4-methylphenyl)acetyl]-1,3-dihydroisoquinolin-5-yl]-N-methylbenzamide",CC1=CC=C(C=C1)CC(=O)C2C3=CC=CC(=C3C(CN2C(=O)C=CC4=C(C=CC(=C4F)Cl)N5C=NN=N5)(C)C)C6=CC=C(C=C6)C(=O)NC.CC1=CC=C(C=C1)CC(=O)C2C3=CC=CC(=C3C(CN2C(=O)C=CC4=C(C=CC(=C4F)Cl)N5C=NN=N5)(C)C)C6=CC=C(C=C6)[N+](=O)[O-].CC1(CN(C(C2=CC=CC(=C21)C3=CC=C(C=C3)C(=O)N)C(=O)CC4=CC=C(C=C4)C(=O)O)C(=O)C=CC5=C(C=CC(=C5F)Cl)N6C=NN=N6)C,"InChI=1S/C38H34ClFN6O3.C37H30ClFN6O5.C36H30ClFN6O4/c1-23-8-10-24(11-9-23)20-32(47)36-29-7-5-6-27(25-12-14-26(15-13-25)37(49)41-4)34(29)38(2,3)21-45(36)33(48)19-16-28-31(46-22-42-43-44-46)18-17-30(39)35(28)40;1-37(2)19-44(31(47)17-14-26-29(45-20-41-42-43-45)16-15-28(38)33(26)39)34(30(46)18-21-6-8-24(9-7-21)36(49)50)27-5-3-4-25(32(27)37)22-10-12-23(13-11-22)35(40)48;1-22-7-9-23(10-8-22)19-31(45)35-28-6-4-5-26(24-11-13-25(14-12-24)44(47)48)33(28)36(2,3)20-42(35)32(46)18-15-27-30(43-21-39-40-41-43)17-16-29(37)34(27)38/h5-19,22,36H,20-21H2,1-4H3,(H,41,49);3-17,20,34H,18-19H2,1-2H3,(H2,40,48)(H,49,50);4-18,21,35H,19-20H2,1-3H3",MCRGBNHNSZXHEN-UHFFFAOYSA-N,C111H94Cl3F3N18O12,2035.4,2033.634983,,398,3680,0,3,24,24,147,,,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0
"Kinase (enzyme-activating), strepto-",1/1/02,9815560,4-cyclohexylpyrrolidine-2-carboxylic acid,C1CCC(CC1)C2CC(NC2)C(=O)O,"InChI=1S/C11H19NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)",XRZWVSXEDRYQGC-UHFFFAOYSA-N,C11H19NO2,197.27,197.1415788,0.3,49.3,211,0,2,3,2,14,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"2-Naphthalenecarboxylic acid, 4,4'-methylenebis(3-hydroxy-, compd. with 10,11-dihydro-N,N-dimethyl-5H-dibenz(b,f)azepine-5-propanamine (1:2)",10075-24-8,24904,"4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;bis(3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine)",CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31.CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O,"InChI=1S/C23H16O6.2C19H24N2/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;2*1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*3-6,8-11H,7,12-15H2,1-2H3",BPQZYOJIXDMZSX-UHFFFAOYSA-N,C61H64N4O6,949.2,948.4825858,,128,859,0,4,10,12,71,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1
"2H-3-Benzoxacyclododecin-2,10(1H)-dione, 4,5,6,7,8,9-hexahydro-11,13-dihydroxy-4-methyl-, (4S)-",10140-70-2,119418,"(5S)-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione",C[C@H]1CCCCCC(=O)C2=C(CC(=O)O1)C=C(C=C2O)O,"InChI=1S/C16H20O5/c1-10-5-3-2-4-6-13(18)16-11(8-15(20)21-10)7-12(17)9-14(16)19/h7,9-10,17,19H,2-6,8H2,1H3/t10-/m0/s1",VDUIGYAPSXCJFC-JTQLQIEISA-N,C16H20O5,292.33,292.1310737,3.1,83.8,381,0,2,5,0,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pregna-1,4,9(11)-triene-3,20-dione, 17,21-dihydroxy-",10184-69-7,13964915,"(8S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one",C[C@]12CC=C3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@@]43C,"InChI=1S/C21H26O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h5-6,8,11,15,17,22,25H,3-4,7,9-10,12H2,1-2H3/t15-,17+,19+,20+,21+/m1/s1",MATJXMUQVASJHW-ONKRVSLGSA-N,C21H26O4,342.4,342.1831093,2.2,74.6,745,0,2,4,2,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"6H-Furo(2',3':4,5)oxazolo(3,2-a)-pyrimidine-2-methanol, 2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-, monohydrochloride, stereoisomer",10212-25-6,25050,"(2R,4R,5R,6S)-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol;hydrochloride",C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=N.Cl,"InChI=1S/C9H11N3O4.ClH/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8;/h1-2,4,6-8,10,13-14H,3H2;1H/t4-,6-,7+,8-;/m1./s1",KZOWNALBTMILAP-JBMRGDGGSA-N,C9H12ClN3O4,261.66,261.0516336,,98.4,394,0,4,5,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperidine, 1,1'-dithiodi-",10220-20-9,25057,1-(piperidin-1-yldisulfanyl)piperidine,C1CCN(CC1)SSN2CCCCC2,InChI=1S/C10H20N2S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H2,FAEFMMUOKVKFBE-UHFFFAOYSA-N,C10H20N2S2,232.4,232.106791,3.1,57.1,136,0,0,4,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Glucofuranoside, ethyl-3,5,6-tri-o-benzyl-, D-",10310-32-4,196122,"(3R,4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2-ethoxy-4-phenylmethoxyoxolan-3-ol",CCOC1[C@@H]([C@H]([C@H](O1)[C@@H](COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O,"InChI=1S/C29H34O6/c1-2-32-29-26(30)28(34-20-24-16-10-5-11-17-24)27(35-29)25(33-19-23-14-8-4-9-15-23)21-31-18-22-12-6-3-7-13-22/h3-17,25-30H,2,18-21H2,1H3/t25-,26-,27-,28-,29?/m1/s1",ULLNJSBQMBKOJH-VIVFLBMVSA-N,C29H34O6,478.6,478.2355388,3.9,66.4,555,0,1,6,13,35,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"delta(sup 9(10H)),gamma-Anthracenepropylamine, N,N,10,10-tetramethyl-, hydrochloride",10563-70-9,25381,"3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride",CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C.Cl,"InChI=1S/C21H25N.ClH/c1-21(2)19-13-7-5-10-17(19)16(12-9-15-22(3)4)18-11-6-8-14-20(18)21;/h5-8,10-14H,9,15H2,1-4H3;1H",RADLXCPDUXFGFF-UHFFFAOYSA-N,C21H26ClN,327.9,327.1753775,,3.2,378,0,1,1,3,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Virginiamycin,11006-76-1,127053480,"N-[(3S,6S,12R,15S,16R,19S,22S)-3-benzyl-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide;(10R,11R,12E,17E,19E,21S)-21-hydroxy-11,19-dimethyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),6,12,17,19,25(28)-hexaene-2,8,14,23-tetrone",CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CCC(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CC6=CC=CC=C6)C.C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)CC2=NC(=CO2)C(=O)N3CCC=C3C(=O)O[C@@H]1C(C)C)O)/C,"InChI=1S/C43H49N7O10.C28H35N3O7/c1-4-29-40(56)49-21-12-17-30(49)41(57)48(3)32(23-26-13-7-5-8-14-26)42(58)50-22-19-28(51)24-31(50)37(53)47-35(27-15-9-6-10-16-27)43(59)60-25(2)34(38(54)45-29)46-39(55)36-33(52)18-11-20-44-36;1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5-11,13-16,18,20,25,29-32,34-35,52H,4,12,17,19,21-24H2,1-3H3,(H,45,54)(H,46,55)(H,47,53);5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b;7-5+,10-9+,18-13+/t25-,29-,30+,31+,32+,34+,35+;19-,20-,26-/m11/s1",MVTQIFVKRXBCHS-SMMNFGSLSA-N,C71H84N10O17,1349.5,1348.601591,,364,2640,0,6,19,7,98,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
Moenomycin,11015-37-5,11953887,"(2S,3S,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-methyl-5-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopenten-1-yl)carbamoyl]oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-carbamoyloxy-6-[[(2R)-2-carboxy-2-[(2E,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraenoxy]ethoxy]-hydroxyphosphoryl]oxy-3-hydroxy-3-methyloxane-2-carboxylic acid",C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@]([C@H](O[C@@H]3OP(=O)(O)OC[C@H](C(=O)O)OC/C=C(\C)/CC/C=C/C(C)(C)CCC(=C)C/C=C(\C)/CCC=C(C)C)C(=O)O)(C)O)OC(=O)N)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(=O)NC6=C(CCC6=O)O)O)O)O,"InChI=1S/C69H107N4O35P/c1-30(2)15-14-17-31(3)18-19-33(5)22-25-68(9,10)24-13-12-16-32(4)23-26-96-41(60(88)89)29-98-109(94,95)108-66-56(57(107-67(70)92)69(11,93)58(106-66)61(90)91)105-63-44(72-36(8)76)47(81)54(40(101-63)28-97-64-51(85)48(82)45(79)39(27-74)100-64)103-62-43(71-35(7)75)46(80)53(34(6)99-62)102-65-52(86)49(83)50(84)55(104-65)59(87)73-42-37(77)20-21-38(42)78/h13,15,18,23-24,34,39-41,43-58,62-66,74,77,79-86,93H,5,12,14,16-17,19-22,25-29H2,1-4,6-11H3,(H2,70,92)(H,71,75)(H,72,76)(H,73,87)(H,88,89)(H,90,91)(H,94,95)/b24-13+,31-18+,32-23+/t34-,39-,40-,41-,43-,44-,45-,46-,47-,48+,49+,50-,51-,52-,53-,54-,55+,56-,57-,58-,62+,63+,64-,65-,66-,69+/m1/s1",PERZMHJGZKHNGU-JGYWJTCASA-N,C69H107N4O35P,1583.6,1582.645348,-0.7,602,3370,0,18,35,38,109,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
Ginsenoside RC,11021-14-0,12855889,"(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H](O8)CO)O)O)O)O)O)C,"InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-68-45-41(65)36(60)28(21-56)69-45)24-11-16-52(7)33(24)25(57)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)35(59)27(20-55)71-48)74-46-42(66)38(62)34(58)26(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28-,29+,30-,31+,32-,33-,34+,35+,36-,37+,38-,39-,40-,41+,42+,43+,44+,45+,46-,47-,48-,50-,51+,52+,53-/m0/s1",JDCPEKQWFDWQLI-LUQKBWBOSA-N,C53H90O22,1079.3,1078.592374,0.9,357,1950,0,14,22,16,75,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Oligomycin B,11050-94-5,76958645,"(1R,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22R,25S,27S,28S,29R)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,3',9,13-tetrone",CC[C@@H]\1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)C(=O)C[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@]([C@H]([C@@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C,"InChI=1S/C45H72O12/c1-12-33-17-15-13-14-16-25(3)42(52)44(11,54)43(53)31(9)40(51)30(8)39(50)29(7)38(49)24(2)18-21-37(48)55-41-28(6)34(20-19-33)56-45(32(41)10)36(47)22-26(4)35(57-45)23-27(5)46/h13-15,17-18,21,24-35,38,40-42,46,49,51-52,54H,12,16,19-20,22-23H2,1-11H3/b14-13+,17-15+,21-18+/t24-,25+,26-,27+,28+,29-,30-,31-,32-,33-,34-,35-,38+,40+,41+,42-,44+,45+/m0/s1",QPRQJOHKNJIMGN-WVUAJZTGSA-N,C45H72O12,805,804.5023777,6.1,197,1470,0,5,12,3,57,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Palytoxin,11077-03-5,11105289,"(E,2S,3R,5R,8R,9S)-10-[(2R,3R,4R,5S,6R)-6-[(1S,2R,3S,4S,5R,11S)-12-[(1R,3S,5S,7R)-5-[(8S)-9-[(2R,3R,4R,5R,6S)-6-[(E,2S,3S,6S,9R,10R)-10-[(2S,4R,5S,6R)-6-[(2R,3R)-4-[(2R,3S,4R,5R,6S)-6-[(2S,3Z,5E,8R,9S,10R,12Z,17S,18R,19R,20R)-21-[(2R,3R,4R,5S,6R)-6-[(Z,3R,4R)-5-[(1S,3R,5R,7R)-7-[2-[(2R,3R,5S)-5-(aminomethyl)-3-hydroxyoxolan-2-yl]ethyl]-2,6-dioxabicyclo[3.2.1]octan-3-yl]-3,4-dihydroxypent-1-enyl]-3,4,5-trihydroxyoxan-2-yl]-2,8,9,10,17,18,19-heptahydroxy-20-methyl-14-methylidenehenicosa-3,5,12-trienyl]-3,4,5-trihydroxyoxan-2-yl]-2,3-dihydroxybutyl]-4,5-dihydroxyoxan-2-yl]-2,6,9,10-tetrahydroxy-3-methyldec-4-enyl]-3,4,5,6-tetrahydroxyoxan-2-yl]-8-hydroxynonyl]-1,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]-1,2,3,4,5-pentahydroxy-11-methyldodecyl]-3,4,5-trihydroxyoxan-2-yl]-2,5,8,9-tetrahydroxy-N-[(E)-3-(3-hydroxypropylamino)-3-oxoprop-1-enyl]-3,7-dimethyldec-6-enamide",C[C@H]1C[C@@]2([C@H](O[C@](C1)(O2)CCCCCCC[C@@H](C[C@@H]3[C@@H]([C@H]([C@H]([C@@](O3)(C[C@@H]([C@@H](C)/C=C/[C@H](CC[C@H]([C@H]([C@@H]4C[C@H]([C@@H]([C@H](O4)C[C@H]([C@@H](C[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C[C@@H](/C=C\C=C\C[C@H]([C@@H]([C@@H](C/C=C\C(=C)CC[C@@H]([C@H]([C@@H]([C@H](C)C[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)/C=C\[C@H]([C@@H](C[C@@H]7C[C@@H]8C[C@H](O7)[C@H](O8)CC[C@@H]9[C@@H](C[C@H](O9)CN)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)C[C@@H](C)CCCCC[C@H]([C@@H]([C@@H]([C@H]([C@@H]([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)C[C@@H]([C@@H](/C(=C/[C@@H](C[C@@H](C)[C@@H](C(=O)N/C=C/C(=O)NCCCO)O)O)/C)O)O)O)O)O)O)O)O)O)O)C,"InChI=1S/C129H223N3O54/c1-62(29-33-81(143)108(158)103(153)68(7)47-93-111(161)117(167)110(160)91(180-93)36-35-76(138)82(144)51-73-50-74-53-92(178-73)90(177-74)38-37-89-85(147)52-75(61-130)179-89)23-20-28-78(140)105(155)77(139)26-18-13-16-25-70(135)48-94-112(162)118(168)113(163)97(181-94)55-84(146)83(145)54-95-107(157)87(149)57-96(182-95)106(156)80(142)34-32-69(134)31-30-65(4)88(150)60-129(176)125(174)123(173)115(165)99(184-129)49-71(136)24-15-10-9-11-19-40-128-59-64(3)58-127(8,186-128)100(185-128)44-63(2)22-14-12-17-27-79(141)109(159)116(166)120(170)122(172)124-121(171)119(169)114(164)98(183-124)56-86(148)102(152)66(5)45-72(137)46-67(6)104(154)126(175)132-42-39-101(151)131-41-21-43-133/h13,16,18,20,23,25,30-31,35-36,39,42,45,63-65,67-100,102-125,133-150,152-174,176H,1,9-12,14-15,17,19,21-22,24,26-29,32-34,37-38,40-41,43-44,46-61,130H2,2-8H3,(H,131,151)(H,132,175)/b18-13+,23-20-,25-16-,31-30+,36-35-,42-39+,66-45+/t63-,64-,65-,67+,68+,69+,70+,71-,72-,73-,74+,75-,76+,77+,78+,79+,80+,81-,82+,83+,84+,85+,86-,87+,88-,89+,90+,91+,92-,93+,94-,95+,96-,97+,98+,99+,100+,102+,103+,104-,105-,106+,107-,108+,109-,110+,111-,112-,113+,114-,115-,116-,117-,118+,119+,120+,121-,122-,123+,124-,125+,127+,128-,129-/m0/s1",CWODDUGJZSCNGB-HQNRRURTSA-N,C129H223N3O54,2680.1,2679.482948,-6.6,1030,5250,0,45,55,80,186,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Iron, dicarbonyl-pi-cyclopentadienyl-, iodide",12078-28-3,138114916,,[C-]#[O+].[C-]#[O+].C1=C[CH]C=C1.[Fe].[I-],InChI=1S/C5H5.2CO.Fe.HI/c1-2-4-5-3-1;2*1-2;;/h1-5H;;;;1H/p-1,XPSYTVVYYIGNSG-UHFFFAOYSA-M,C7H5FeIO2-,303.86,303.86836,,2,48,-1,0,3,0,11,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Nonanoic acid, 9((3-methyl-1-oxo-4-(tetrahydro-3,4-dihydroxy-5-((3-(2-hydroxy-1-methylpropyl)oxiranyl)methyl)-2H-pyran-2-yl)-2-butenyl)oxy)-, (2S-(2-alpha(E),3-beta,4-beta,5-alpha(2R*,3R*(1R*,2R*))))-",12650-69-0,446596,"9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoic acid",C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)[C@H](C)O,"InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1",MINDHVHHQZYEEK-HBBNESRFSA-N,C26H44O9,500.6,500.298533,3,146,694,0,4,9,17,35,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"5H,12H-3,4-Dioxa-5a,11a,15a-triazacyclooct(lm)indeno(5,6-b)fluorene-11,15(2H,13H)-dione, 1,10,10a,14,14a,15b-hexahydro-10,10a-dihydroxy-7-methoxy-2,2-dimethyl-5-(2-methyl-1-propenyl)-,(5R-(5-alpha,10-alpha,10a-alpha,14a-alpha-15b-alpha))-",12771-72-1,13887805,"(9R,14S,17S,23R,24S)-23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione",CC(=C[C@@H]1N2C3=C(C=CC(=C3)OC)C4=C2[C@H](CC(OO1)(C)C)N5C(=O)[C@@H]6CCCN6C(=O)[C@@]5([C@H]4O)O)C,"InChI=1S/C27H33N3O7/c1-14(2)11-20-29-18-12-15(35-5)8-9-16(18)21-22(29)19(13-26(3,4)37-36-20)30-24(32)17-7-6-10-28(17)25(33)27(30,34)23(21)31/h8-9,11-12,17,19-20,23,31,34H,6-7,10,13H2,1-5H3/t17-,19-,20+,23-,27+/m0/s1",LRXYHMMJJCTUMY-GWXUGYLUSA-N,C27H33N3O7,511.6,511.2318504,1.8,114,998,0,2,7,2,37,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"6H-Oxireno(e)(2)benzoxacyclotetradecin-6,12(7H)-dione, 8-chloro-1a,14,15,15a-tetrahydro-9,11-dihydroxy-14-methyl-",12772-57-5,6323491,"(4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione",C[C@@H]1C[C@@H]2[C@H](O2)/C=C\C=C\C(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1,"InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1",WYZWZEOGROVVHK-GTMNPGAYSA-N,C18H17ClO6,364.8,364.071366,3.4,96.4,588,0,2,6,0,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Rhodanine, 5-benzylidene-3-(p-chlorophenyl)-",13036-93-6,1271776,"(5E)-5-benzylidene-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one",C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC=C(C=C3)Cl,InChI=1S/C16H10ClNOS2/c17-12-6-8-13(9-7-12)18-15(19)14(21-16(18)20)10-11-4-2-1-3-5-11/h1-10H/b14-10+,HQVQKKXNCMMATE-GXDHUFHOSA-N,C16H10ClNOS2,331.8,330.989234,5.2,77.7,451,0,0,3,2,21,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
2-Piperidinethione,13070-01-4,3030637,piperidine-2-thione,C1CCNC(=S)C1,"InChI=1S/C5H9NS/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)",GCVHYGRJLCAOGI-UHFFFAOYSA-N,C5H9NS,115.2,115.0455705,0.1,44.1,80,0,1,1,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,3,4-Thiatriazol-5-amine, N-phenyl-",13078-30-3,83115,N-phenylthiatriazol-5-amine,C1=CC=C(C=C1)NC2=NN=NS2,"InChI=1S/C7H6N4S/c1-2-4-6(5-3-1)8-7-9-10-11-12-7/h1-5H,(H,8,9,11)",WBIAWXNTQCZGMO-UHFFFAOYSA-N,C7H6N4S,178.22,178.0313174,2.2,78.9,137,0,1,5,2,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Mandelic acid, alpha-cyclopentyl-, 1-methyl-3-pyrrolidinyl ester, hydrochloride",13118-10-0,24194750,(1-methylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride,CN1CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.Cl,"InChI=1S/C18H25NO3.ClH/c1-19-12-11-16(13-19)22-17(20)18(21,15-9-5-6-10-15)14-7-3-2-4-8-14;/h2-4,7-8,15-16,21H,5-6,9-13H2,1H3;1H",IUFZTNHOGFUUBG-UHFFFAOYSA-N,C18H26ClNO3,339.9,339.1601214,,49.8,388,0,2,4,5,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Card-20(22)-enolide, 3-((2,6-dideoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-, (3-beta,5-beta)-",13137-64-9,14463159,"3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one",C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O,"InChI=1S/C36H56O13/c1-18-31(49-32-30(41)29(40)28(39)25(16-37)48-32)24(44-4)14-27(46-18)47-20-5-9-33(2)22-6-10-34(3)21(19-13-26(38)45-17-19)8-12-36(34,43)23(22)7-11-35(33,42)15-20/h13,18,20-25,27-32,37,39-43H,5-12,14-17H2,1-4H3/t18-,20+,21-,22+,23-,24+,25-,27+,28-,29+,30-,31-,32+,33-,34-,35+,36+/m1/s1",KWBPKUMWVXUSCA-AXQDKOMKSA-N,C36H56O13,696.8,696.3720918,-0.4,194,1280,0,6,13,7,49,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"Thioxanthene, 9-(1-methyl-4-piperidylene)-, maleate",13187-06-9,5702167,(Z)-but-2-enedioic acid;1-methyl-4-thioxanthen-9-ylidenepiperidine,CN1CCC(=C2C3=CC=CC=C3SC4=CC=CC=C42)CC1.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C19H19NS.C4H4O4/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19;5-3(6)1-2-4(7)8/h2-9H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-",IPANUAHQWFDVAG-BTJKTKAUSA-N,C23H23NO4S,409.5,409.1347794,,103,501,0,2,6,2,29,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indolo(2,1-b)quinazoline-6,12-dione",13220-57-0,73549,"indolo[2,1-b]quinazoline-6,12-dione",C1=CC=C2C(=C1)C(=O)N3C4=CC=CC=C4C(=O)C3=N2,InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H,VQQVWGVXDIPORV-UHFFFAOYSA-N,C15H8N2O2,248.24,248.0585775,2.1,49.7,471,0,0,3,0,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-beta-Bufa-20,22-dienolide, 3-beta-((6-deoxy-4-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy)-5,14-dihydroxy-19-oxo-",13289-18-4,441859,"(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde",C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=COC(=O)C=C6)C)C=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O,"InChI=1S/C36H52O15/c1-17-30(51-32-28(43)26(41)25(40)23(14-37)50-32)27(42)29(44)31(48-17)49-19-5-10-34(16-38)21-6-9-33(2)20(18-3-4-24(39)47-15-18)8-12-36(33,46)22(21)7-11-35(34,45)13-19/h3-4,15-17,19-23,25-32,37,40-46H,5-14H2,1-2H3/t17-,19-,20+,21-,22+,23+,25+,26-,27-,28+,29+,30-,31-,32-,33+,34-,35-,36-/m0/s1",DCSLTSSPIJWEJN-YRFFWODSSA-N,C36H52O15,724.8,724.330621,-1.7,242,1410,0,8,15,7,51,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzo(f)-1,3-benzodioxolo(6,5,4-cd)indol-5(6H)-one, 8-methoxy-",13395-02-3,96710,"14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one",COC1=CC=CC2=C3C4=C(C=C21)NC(=O)C4=CC5=C3OCO5,"InChI=1S/C17H11NO4/c1-20-12-4-2-3-8-9(12)5-11-14-10(17(19)18-11)6-13-16(15(8)14)22-7-21-13/h2-6H,7H2,1H3,(H,18,19)",MXOKGWUJNGEKBH-UHFFFAOYSA-N,C17H11NO4,293.27,293.0688078,3.1,56.8,483,0,1,4,1,22,,,0,1,1,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"2-Pyridinemethanol, 6-(2-(5-nitro-2-furyl)vinyl)-",13411-16-0,6436061,[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-2-pyridinyl]methanol,C1=CC(=NC(=C1)/C=C/C2=CC=C(O2)[N+](=O)[O-])CO,"InChI=1S/C12H10N2O4/c15-8-10-3-1-2-9(13-10)4-5-11-6-7-12(18-11)14(16)17/h1-7,15H,8H2/b5-4+",JQKHJQJVKRFMCO-SNAWJCMRSA-N,C12H10N2O4,246.22,246.0640568,1.1,92.1,316,0,1,5,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,6,9,11(2H)-tetrone,5,17,19,21-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate",13553-79-2,6436726,"[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate",C[C@H]1/C=C/C=C(\C(=O)NC2=CC(=O)C3=C(C2=O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)/C,"InChI=1S/C37H45NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,41-43H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1",BTVYFIMKUHNOBZ-ODRIEIDWSA-N,C37H45NO12,695.8,695.2941759,4.1,195,1480,0,4,12,3,50,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1
"Ether, 2,6-bis(2,3-epoxypropyl)phenyl 2,3-epoxypropyl",13561-08-5,26113,"2-[[2,6-bis(oxiran-2-ylmethyl)phenoxy]methyl]oxirane",C1C(O1)CC2=C(C(=CC=C2)CC3CO3)OCC4CO4,"InChI=1S/C15H18O4/c1-2-10(4-12-6-16-12)15(19-9-14-8-18-14)11(3-1)5-13-7-17-13/h1-3,12-14H,4-9H2",PPEASEWKOGNDKZ-UHFFFAOYSA-N,C15H18O4,262.3,262.1205091,1.5,46.8,299,0,0,4,7,19,,,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0,0,1,1,0,0
"Benzylamine, N-(3,3-diphenylpropyl)-alpha-methyl-, hydrochloride",13636-18-5,5702162,"3,3-diphenyl-N-(1-phenylethyl)propan-1-amine;hydrochloride",CC(C1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3.Cl,"InChI=1S/C23H25N.ClH/c1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22;/h2-16,19,23-24H,17-18H2,1H3;1H",NJXWZWXCHBNOOG-UHFFFAOYSA-N,C23H26ClN,351.9,351.1753775,,12,303,0,2,1,7,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphine oxide, tricyclohexyl-",13689-19-5,26187,dicyclohexylphosphorylcyclohexane,C1CCC(CC1)P(=O)(C2CCCCC2)C3CCCCC3,"InChI=1S/C18H33OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15H2",LEFPWWWXFFNJAA-UHFFFAOYSA-N,C18H33OP,296.4,296.2269027,4.8,17.1,281,0,0,1,3,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Quinolinecarbonitrile, 1,2-dihydro-1-benzoyl-",13721-17-0,26219,1-benzoyl-2H-quinoline-2-carbonitrile,C1=CC=C(C=C1)C(=O)N2C(C=CC3=CC=CC=C32)C#N,"InChI=1S/C17H12N2O/c18-12-15-11-10-13-6-4-5-9-16(13)19(15)17(20)14-7-2-1-3-8-14/h1-11,15H",ISINJAULVPSFFZ-UHFFFAOYSA-N,C17H12N2O,260.29,260.094963,3.3,44.1,441,0,0,2,1,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenesulfonamide, 4-amino-N-1H-indazol-6-yl-",13744-68-8,83696,4-amino-N-(1H-indazol-6-yl)benzenesulfonamide,C1=CC(=CC=C1N)S(=O)(=O)NC2=CC3=C(C=C2)C=NN3,"InChI=1S/C13H12N4O2S/c14-10-2-5-12(6-3-10)20(18,19)17-11-4-1-9-8-15-16-13(9)7-11/h1-8,17H,14H2,(H,15,16)",RLNLIVBLEZDLMZ-UHFFFAOYSA-N,C13H12N4O2S,288.33,288.0680968,2.1,109,428,0,3,5,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-Naphtho(2,1-b)pyran-3-one, 2-phenyl-",13759-56-3,160984,2-phenylbenzo[f]chromen-3-one,C1=CC=C(C=C1)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O,InChI=1S/C19H12O2/c20-19-16(13-6-2-1-3-7-13)12-17-15-9-5-4-8-14(15)10-11-18(17)21-19/h1-12H,PQXCUIMAWFHKHE-UHFFFAOYSA-N,C19H12O2,272.3,272.0837296,4.8,26.3,433,0,0,2,1,21,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (S)-(+)-",13849-08-6,334704,"(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one",CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O,"InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m0/s1",FWYSBEAFFPBAQU-LBPRGKRZSA-N,C14H14O4,246.26,246.0892089,1.9,55.8,387,0,1,4,1,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2,4-Pyrimidinediamine, 5-(1,3-benzodioxol-5-ylmethyl)-",13932-40-6,26341,"5-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4-diamine",C1OC2=C(O1)C=C(C=C2)CC3=CN=C(N=C3N)N,"InChI=1S/C12H12N4O2/c13-11-8(5-15-12(14)16-11)3-7-1-2-9-10(4-7)18-6-17-9/h1-2,4-5H,3,6H2,(H4,13,14,15,16)",YBIRDHJXPIORJB-UHFFFAOYSA-N,C12H12N4O2,244.25,244.0960256,1.5,96.3,291,0,2,6,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-Anthracenedione, 3-(D-apio-beta-D-furanosyloxy)-1-(beta-D-glucopyranosyloxy)-8-hydroxy-6-methyl-",14062-59-0,46173833,"6-[(3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-3-yl]oxy-1-hydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione",CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@@]5(COC[C@@]5(CO)O)O,"InChI=1S/C26H28O14/c1-10-2-12-17(14(29)3-10)21(32)18-13(19(12)30)4-11(40-26(36)9-37-8-25(26,35)7-28)5-15(18)38-24-23(34)22(33)20(31)16(6-27)39-24/h2-5,16,20,22-24,27-29,31,33-36H,6-9H2,1H3/t16-,20-,22+,23-,24-,25-,26-/m1/s1",SOAOUDVXSAIAHD-XXLFKDOXSA-N,C26H28O14,564.5,564.1479056,-0.8,233,964,0,8,14,6,40,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9,10-Anthracenedione, 3-(D-apio-beta-D-furanosyloxy)-1,8-dihydroxy-6-methyl-",14101-04-3,442744,"3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-1,8-dihydroxy-6-methylanthracene-9,10-dione",CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O[C@H]4[C@@H]([C@](CO4)(CO)O)O,"InChI=1S/C20H18O9/c1-8-2-10-14(12(22)3-8)17(25)15-11(16(10)24)4-9(5-13(15)23)29-19-18(26)20(27,6-21)7-28-19/h2-5,18-19,21-23,26-27H,6-7H2,1H3/t18-,19-,20+/m0/s1",AEQMIFRODRFTJF-SLFFLAALSA-N,C20H18O9,402.4,402.0950822,1.3,154,668,0,5,9,3,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Glutarimide, 3-phenyl-",14149-31-6,101452,"4-phenylpiperidine-2,6-dione",C1C(CC(=O)NC1=O)C2=CC=CC=C2,"InChI=1S/C11H11NO2/c13-10-6-9(7-11(14)12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13,14)",LIEGIQPEUGHGAI-UHFFFAOYSA-N,C11H11NO2,189.21,189.0789786,0.7,46.2,228,0,1,2,1,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"beta-D-Glucopyranoside, (3-beta,12-beta)-12,20-dihydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-",14197-60-5,9918693,"(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O)C,"InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1",RWXIFXNRCLMQCD-JBVRGBGGSA-N,C42H72O13,785,784.4972924,4,219,1370,0,9,13,10,55,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridinium, 1,1'-(p-phenylenedimethylene)bis-, dibromide",14208-10-7,3036637,1-[[4-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium dibromide,C1=CC=[N+](C=C1)CC2=CC=C(C=C2)C[N+]3=CC=CC=C3.[Br-].[Br-],"InChI=1S/C18H18N2.2BrH/c1-3-11-19(12-4-1)15-17-7-9-18(10-8-17)16-20-13-5-2-6-14-20;;/h1-14H,15-16H2;2*1H/q+2;;/p-2",MMKBQSJLLGHVIM-UHFFFAOYSA-L,C18H18Br2N2,422.2,421.98162,,7.8,231,0,0,2,4,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Benzimidazolecarboxylic acid, 5,6-dichloro-2-(trifluoromethyl)-, phenyl ester",14255-88-0,26597,"phenyl 5,6-dichloro-2-(trifluoromethyl)benzimidazole-1-carboxylate",C1=CC=C(C=C1)OC(=O)N2C3=CC(=C(C=C3N=C2C(F)(F)F)Cl)Cl,"InChI=1S/C15H7Cl2F3N2O2/c16-9-6-11-12(7-10(9)17)22(13(21-11)15(18,19)20)14(23)24-8-4-2-1-3-5-8/h1-7H",ISVQSVPUDBVFFU-UHFFFAOYSA-N,C15H7Cl2F3N2O2,375.1,373.9836673,5.5,44.1,474,0,0,6,2,24,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propylamine, 3-((1-benzylcycloheptyl)oxy)-N,N-dimethyl-, fumarate",14286-84-1,5282403,"3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine;(E)-but-2-enedioic acid",CN(C)CCCOC1(CCCCCC1)CC2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O,"InChI=1S/C19H31NO.C4H4O4/c1-20(2)15-10-16-21-19(13-8-3-4-9-14-19)17-18-11-6-5-7-12-18;5-3(6)1-2-4(7)8/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+",LSTKNZAMFRGXCG-WLHGVMLRSA-N,C23H35NO5,405.5,405.2515232,,87.1,382,0,2,6,9,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-diphenethyl-",14318-37-7,72816,"3,5-bis(2-phenylethyl)-1,3,5-thiadiazinane-2-thione",C1N(CSC(=S)N1CCC2=CC=CC=C2)CCC3=CC=CC=C3,"InChI=1S/C19H22N2S2/c22-19-21(14-12-18-9-5-2-6-10-18)15-20(16-23-19)13-11-17-7-3-1-4-8-17/h1-10H,11-16H2",NYQTVLZGKQXVIT-UHFFFAOYSA-N,C19H22N2S2,342.5,342.1224411,5.2,63.9,362,0,0,3,6,23,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"5H-Cyclopenta(4,5)thieno(2,3-d)pyrimidin-4(3H)-one, 6,7-dihydro-",14346-25-9,203420,"7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one",C1CC2=C(C1)SC3=C2C(=O)NC=N3,"InChI=1S/C9H8N2OS/c12-8-7-5-2-1-3-6(5)13-9(7)11-4-10-8/h4H,1-3H2,(H,10,11,12)",MZAZSAHKQBGEMA-UHFFFAOYSA-N,C9H8N2OS,192.24,192.0357341,1.4,69.7,279,0,1,3,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propen-1-one, 3-(4-(dimethylamino)phenyl)-1-(2-thienyl)-, (2E)-",14385-59-2,5709353,(E)-3-[4-(dimethylamino)phenyl]-1-thiophen-2-ylprop-2-en-1-one,CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CS2,"InChI=1S/C15H15NOS/c1-16(2)13-8-5-12(6-9-13)7-10-14(17)15-4-3-11-18-15/h3-11H,1-2H3/b10-7+",KMSYVLGJQGXZJB-JXMROGBWSA-N,C15H15NOS,257.4,257.0874353,3.8,48.6,306,0,0,3,4,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Spiro(9H-benzo(a)fluorene-9,2'(3'H)-furo(3,2-b)pyridin)-3(1H)-one, 2,3'a,4',5,5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-hexadecahydro-3',6',10,11b-tetramethyl-",14410-98-1,197929,"(3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethylspiro[1,2,5,6,6a,6b,7,8,11,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-one",C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@@]6([C@H]5CC4=C3C)C)C)NC1,"InChI=1S/C27H39NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h12,15,17,20-21,23-25,28H,5-11,13-14H2,1-4H3/t15-,17+,20-,21-,23-,24+,25-,26-,27-/m0/s1",SKWIGGSUCKQTMK-XDDOBYEYSA-N,C27H39NO2,409.6,409.2980795,3.5,38.3,842,0,1,3,0,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2-Oxazolin-4-one, 2-(cyclopropylamino)-5-phenyl-",14461-91-7,135438121,"2-cyclopropylimino-5-phenyl-1,3-oxazolidin-4-one",C1CC1N=C2NC(=O)C(O2)C3=CC=CC=C3,"InChI=1S/C12H12N2O2/c15-11-10(8-4-2-1-3-5-8)16-12(14-11)13-9-6-7-9/h1-5,9-10H,6-7H2,(H,13,14,15)",DNRKTAYPGADPGW-UHFFFAOYSA-N,C12H12N2O2,216.24,216.0898776,1.7,50.7,317,0,1,3,2,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,4,5-Tetrazine, 1,4-dihydro-3,6-diphenyl-",14478-73-0,26707,"3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine",C1=CC=C(C=C1)C2=NNC(=NN2)C3=CC=CC=C3,"InChI=1S/C14H12N4/c1-3-7-11(8-4-1)13-15-17-14(18-16-13)12-9-5-2-6-10-12/h1-10H,(H,15,16)(H,17,18)",VEYRTZVLYXCVCX-UHFFFAOYSA-N,C14H12N4,236.27,236.1061964,3.3,48.8,302,0,2,2,2,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5'-beta-H-Pregna-1,4-dieno(17,16-d)oxazole-3,20-dione, 11-beta,21-dihydroxy-2'-methyl-,21-acetate",14484-47-0,189821,"[2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-6,9,13-trimethyl-16-oxo-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-8-yl]-2-oxoethyl] acetate",CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)C(=O)COC(=O)C,"InChI=1S/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22+,23-,24-,25+/m0/s1",FBHSPRKOSMHSIF-GRMWVWQJSA-N,C25H31NO6,441.5,441.2151377,2,102,996,0,1,7,4,32,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Spiro(1,3-dioxolane-2,9'(6'H)-(2,7)(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan)-1',4,6',11'(2'H)-tetrone, 5',17',19',21'-tetrahydroxy-23'-methoxy-2',4',12',16',18',20',22'-heptamethyl-, 21'-acetate",14487-05-9,5280468,"[(7'S,9'E,11'S,12'R,13'S,14'R,15'R,16'R,17'S,18'S,19'E,21'Z)-2',15',17'-trihydroxy-11'-methoxy-3',7',12',14',16',18',22'-heptamethyl-4,6',23',29'-tetraoxospiro[1,3-dioxolane-2,27'-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaene]-13'-yl] acetate",C[C@H]1/C=C/C=C(\C(=O)NC2=CC3(C4=C(C2=O)C(=C(C5=C4C(=O)[C@](O5)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)O3)/C,"InChI=1S/C39H47NO14/c1-17-11-10-12-18(2)37(48)40-24-15-39(51-16-26(42)53-39)29-27(33(24)46)32(45)22(6)35-28(29)36(47)38(8,54-35)50-14-13-25(49-9)19(3)34(52-23(7)41)21(5)31(44)20(4)30(17)43/h10-15,17,19-21,25,30-31,34,43-45H,16H2,1-9H3,(H,40,48)/b11-10+,14-13+,18-12-/t17-,19+,20+,21+,25-,30-,31+,34+,38-,39?/m0/s1",RAFHKEAPVIWLJC-KQOHHTLASA-N,C39H47NO14,753.8,753.2996552,4.5,213,1640,0,4,14,3,54,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
Roridin A,14729-29-4,9915017,"(1R,3R,8R,12S,13R,17R,18E,20Z,24R,25S,26S)-12-hydroxy-17-[(1R)-1-hydroxyethyl]-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,22-dione",C[C@@H]1CCO[C@H](/C=C/C=C\C(=O)O[C@@H]2C[C@@H]3[C@]4([C@]2([C@]5(CCC(=C[C@H]5O3)C)COC(=O)[C@H]1O)C)CO4)[C@@H](C)O,"InChI=1S/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5+,8-6-/t18-,19-,20-,21-,22-,23-,25+,27-,28-,29+/m1/s1",NSFWWJIQIKBZMJ-PAGWOCKZSA-N,C29H40O9,532.6,532.2672329,2.2,124,1040,0,2,9,1,38,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 1-phenyl-3-(2-thiazolyl)-2-thio-",14901-16-7,719408,"1-phenyl-3-(1,3-thiazol-2-yl)thiourea",C1=CC=C(C=C1)NC(=S)NC2=NC=CS2,"InChI=1S/C10H9N3S2/c14-9(13-10-11-6-7-15-10)12-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13,14)",GCZZOZBWAZHCAN-UHFFFAOYSA-N,C10H9N3S2,235.3,235.0237897,2.4,97.3,217,0,2,3,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Copper, bis(1-(hydroxy-kappaO)-2(1H)-pyridinethionato-kappaS2)-",14915-37-8,84692,copper bis(1-oxidopyridine-2-thione),C1=CC(=S)N(C=C1)[O-].C1=CC(=S)N(C=C1)[O-].[Cu+2],InChI=1S/2C5H4NOS.Cu/c2*7-6-4-2-1-3-5(6)8;/h2*1-4H;/q2*-1;+2,XDUPUJNNHFTMQS-UHFFFAOYSA-N,C10H8CuN2O2S2,315.9,314.932317,,117,162,0,0,4,0,17,,,1,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Hydrazinecarbothioamide, 2-((2-hydroxyphenyl)methylene)-N-phenyl-",14938-70-6,135434847,1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylthiourea,C1=CC=C(C=C1)NC(=S)N/N=C/C2=CC=CC=C2O,"InChI=1S/C14H13N3OS/c18-13-9-5-4-6-11(13)10-15-17-14(19)16-12-7-2-1-3-8-12/h1-10,18H,(H2,16,17,19)/b15-10+",BKJAPBJJTOJXEZ-XNTDXEJSSA-N,C14H13N3OS,271.34,271.0779332,2.8,88.7,316,0,3,3,3,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrrolidine, 2-(2-((p-chloro-alpha-methyl-alpha-phenylbenzyl)oxy)ethyl)-1-methyl-, (+)-,fumarate (1:1)",14976-57-9,5281069,(E)-but-2-enedioic acid;(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine,C[C@@](C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCC[C@H]3CCCN3C.C(=C/C(=O)O)\C(=O)O,"InChI=1S/C21H26ClNO.C4H4O4/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2;5-3(6)1-2-4(7)8/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t20-,21-;/m1./s1",PMGQWSIVQFOFOQ-YKVZVUFRSA-N,C25H30ClNO5,460,459.1812508,,87.1,495,0,2,6,8,32,,154 °C at 0.02 mm Hg,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ether, bis(2-cyclopentenyl)",15131-55-2,27061,3-cyclopent-2-en-1-yloxycyclopentene,C1CC(C=C1)OC2CCC=C2,"InChI=1S/C10H14O/c1-2-6-9(5-1)11-10-7-3-4-8-10/h1,3,5,7,9-10H,2,4,6,8H2",JHXDCKWLPYBHJY-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,2.2,9.2,161,0,0,1,2,11,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 4,4'-(1,3,4-thiadiazole-2,5-diyl)di-",15311-09-8,84870,"2,5-dipyridin-4-yl-1,3,4-thiadiazole",C1=CN=CC=C1C2=NN=C(S2)C3=CC=NC=C3,InChI=1S/C12H8N4S/c1-5-13-6-2-9(1)11-15-16-12(17-11)10-3-7-14-8-4-10/h1-8H,UQDBUNOBHAOPPJ-UHFFFAOYSA-N,C12H8N4S,240.29,240.0469675,1.5,79.8,215,0,0,5,2,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiophene, 1,1,2,3,4,5-hexahydro-1-((trichloroacetyl)imino)-",15436-35-8,96353,"2,2,2-trichloro-N-(thiolan-1-ylidene)acetamide",C1CCS(=NC(=O)C(Cl)(Cl)Cl)C1,"InChI=1S/C6H8Cl3NOS/c7-6(8,9)5(11)10-12-3-1-2-4-12/h1-4H2",LNBNCOGHHLHNEO-UHFFFAOYSA-N,C6H8Cl3NOS,248.6,246.939218,3.3,48.6,215,0,0,2,0,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Plumbane, (phenylthio)triphenyl-",15590-77-9,16682797,triphenyl(phenylsulfanyl)plumbane,C1=CC=C(C=C1)S[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C6H6S.3C6H5.Pb/c7-6-4-2-1-3-5-6;3*1-2-4-6-5-3-1;/h1-5,7H;3*1-5H;/q;;;;+1/p-1",BQBUWUDGISVYKZ-UHFFFAOYSA-M,C24H20PbS,548,548.10522,,25.3,353,0,0,1,5,26,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
Ryania,15662-33-6,11317883,"[(1R,2R,3S,6S,7S,9S,10R,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate",C[C@H]1CC[C@@]2([C@@]3(C[C@]4([C@@]5([C@]([C@H]([C@@]3([C@]5([C@]2([C@@H]1O)O4)O)O)OC(=O)C6=CC=CN6)(C(C)C)O)C)O)C)O,"InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12-13,15,17,26-27,29-33H,8-9,11H2,1-5H3/t13-,15+,17+,18-,19+,20-,21-,22+,23+,24+,25+/m0/s1",JJSYXNQGLHBRRK-SFEDZAPPSA-N,C25H35NO9,493.5,493.2311817,-0.5,173,1010,0,7,9,4,35,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dicyclohexyl-",15798-65-9,98793,"3,5-dicyclohexyl-1,3,5-thiadiazinane-2-thione",C1CCC(CC1)N2CN(C(=S)SC2)C3CCCCC3,"InChI=1S/C15H26N2S2/c18-15-17(14-9-5-2-6-10-14)11-16(12-19-15)13-7-3-1-4-8-13/h13-14H,1-12H2",MBFNDMOUZATEDW-UHFFFAOYSA-N,C15H26N2S2,298.5,298.1537412,4.9,63.9,309,0,0,3,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridinium, 3-hydroxy-1-methyl-, bromide, hexamethylenebis(methylcarbamate)",15876-67-2,27522,(1-methylpyridin-1-ium-3-yl) N-methyl-N-[6-[methyl-(1-methylpyridin-1-ium-3-yl)oxycarbonylamino]hexyl]carbamate dibromide,C[N+]1=CC=CC(=C1)OC(=O)N(C)CCCCCCN(C)C(=O)OC2=C[N+](=CC=C2)C.[Br-].[Br-],"InChI=1S/C22H32N4O4.2BrH/c1-23-13-9-11-19(17-23)29-21(27)25(3)15-7-5-6-8-16-26(4)22(28)30-20-12-10-14-24(2)18-20;;/h9-14,17-18H,5-8,15-16H2,1-4H3;2*1H/q+2;;/p-2",GJHSNEVFXQVOHR-UHFFFAOYSA-L,C22H32Br2N4O4,576.3,576.07698,,66.8,487,0,0,6,11,32,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-",15911-16-7,27538,"3,4-dimethyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one",CC1=C2C(=NNC(=O)C2=NO1)C,"InChI=1S/C7H7N3O2/c1-3-5-4(2)12-10-6(5)7(11)9-8-3/h1-2H3,(H,9,11)",DINKYECDKUZHJM-UHFFFAOYSA-N,C7H7N3O2,165.15,165.0538265,0.2,67.5,251,0,1,4,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-Pyrido(1,2-a)pyrazin-1(6H)-one, hexahydro-",15932-71-5,204214,"2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-1-one",C1CCN2CCNC(=O)C2C1,"InChI=1S/C8H14N2O/c11-8-7-3-1-2-5-10(7)6-4-9-8/h7H,1-6H2,(H,9,11)",AGBUHYGWJRLISC-UHFFFAOYSA-N,C8H14N2O,154.21,154.1106131,0.3,32.3,169,0,1,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Purine-6-ol, 2,8-dimercapto-",15986-32-0,2366465,"2,8-bis(sulfanylidene)-7,9-dihydro-3H-purin-6-one",C12=C(NC(=S)N1)NC(=S)NC2=O,"InChI=1S/C5H4N4OS2/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)",NDSUZZIWNBVBKW-UHFFFAOYSA-N,C5H4N4OS2,200.2,199.9826531,-0.7,129,334,0,4,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1-(p-chlorophenyl)-3-(4,6-dimethyl-2-pyrimidinyl)-",16018-61-4,204267,"1-(4-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea",CC1=CC(=NC(=N1)NC(=O)NC2=CC=C(C=C2)Cl)C,"InChI=1S/C13H13ClN4O/c1-8-7-9(2)16-12(15-8)18-13(19)17-11-5-3-10(14)4-6-11/h3-7H,1-2H3,(H2,15,16,17,18,19)",OAAPSDLSJPQFTI-UHFFFAOYSA-N,C13H13ClN4O,276.72,276.0777887,2.5,66.9,297,0,2,3,2,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2,2'-Stilbenedisulfonic acid, 4,4'-bis((4-anilino-6-morpholino-s-triazin-2-yl)amino)-,disodium salt",16090-02-1,27677,"disodium;5-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate",C1COCCN1C2=NC(=NC(=N2)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N7CCOCC7)S(=O)(=O)[O-])S(=O)(=O)[O-])NC8=CC=CC=C8.[Na+].[Na+],"InChI=1S/C40H40N12O8S2.2Na/c53-61(54,55)33-25-31(43-37-45-35(41-29-7-3-1-4-8-29)47-39(49-37)51-17-21-59-22-18-51)15-13-27(33)11-12-28-14-16-32(26-34(28)62(56,57)58)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52-19-23-60-24-20-52;;/h1-16,25-26H,17-24H2,(H,53,54,55)(H,56,57,58)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2",VUJGKADZTYCLIL-UHFFFAOYSA-L,C40H38N12Na2O8S2,924.9,924.2172371,,282,1490,0,4,20,12,64,not available,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2-thenylidenehydrazide",16371-55-4,204470,N-(thiophen-2-ylmethylideneamino)benzamide,C1=CC=C(C=C1)C(=O)NN=CC2=CC=CS2,"InChI=1S/C12H10N2OS/c15-12(10-5-2-1-3-6-10)14-13-9-11-7-4-8-16-11/h1-9H,(H,14,15)",CSNLKZXFSZSMCJ-UHFFFAOYSA-N,C12H10N2OS,230.29,230.0513841,3.1,69.7,262,0,1,3,3,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphonium, triphenyl(triphenylmethyl)-, chloride",16436-71-8,85420,triphenyl(trityl)phosphanium chloride,C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Cl-],"InChI=1S/C37H30P.ClH/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32,33-23-11-3-12-24-33)38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;/h1-30H;1H/q+1;/p-1",LZOHWIXYBMRNAP-UHFFFAOYSA-M,C37H30ClP,541.1,540.1773656,,0,584,0,0,1,7,39,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-Piperidinedione, 3-(3-oxo-1,2-benzisothiazol-2(3H)-yl)-, S,S-dioxide",16477-31-9,159791,"3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)piperidine-2,6-dione",C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3S2(=O)=O,"InChI=1S/C12H10N2O5S/c15-10-6-5-8(11(16)13-10)14-12(17)7-3-1-2-4-9(7)20(14,18)19/h1-4,8H,5-6H2,(H,13,15,16)",NGQWLJWMSAFWFI-UHFFFAOYSA-N,C12H10N2O5S,294.29,294.0310426,-0.2,109,579,0,1,5,1,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Butenoic acid, 2-methyl-, (3S,3aR,4S,4aR,7aR,8R,9aR)-2,3,3a,4,4a,5,7a,8,9,9a-decahydro-3,4a,8-trimethyl-2,5-dioxoazuleno(6,5-b)furan-4-yl ester, (2Z)-",16503-32-5,12302076,"[(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] (Z)-2-methylbut-2-enoate",C/C=C(/C)\C(=O)O[C@H]1[C@@H]2[C@@H](C(=O)O[C@@H]2C[C@H]([C@H]3[C@]1(C(=O)C=C3)C)C)C,"InChI=1S/C20H26O5/c1-6-10(2)18(22)25-17-16-12(4)19(23)24-14(16)9-11(3)13-7-8-15(21)20(13,17)5/h6-8,11-14,16-17H,9H2,1-5H3/b10-6-/t11-,12+,13+,14-,16-,17+,20+/m1/s1",KUPPZVXLWANEJJ-UXPPPGSFSA-N,C20H26O5,346.4,346.1780239,2.3,69.7,676,0,0,5,3,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Quinoline, 4-(4-N-methyl-N-nitrosaminostyryl)-",16699-10-8,86054,N-methyl-N-[4-(2-quinolin-4-ylethenyl)phenyl]nitrous amide,CN(C1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23)N=O,"InChI=1S/C18H15N3O/c1-21(20-22)16-10-7-14(8-11-16)6-9-15-12-13-19-18-5-3-2-4-17(15)18/h2-13H,1H3",IJOCQJGYYDLLAT-UHFFFAOYSA-N,C18H15N3O,289.3,289.1215121,4.3,45.6,390,0,0,4,3,22,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Dibenz(b,e)(1,4)oxazepine-5(11H)-carboxamide, 7-chloro-",16802-77-0,197948,"2-chloro-6H-benzo[c][1,5]benzoxazepine-11-carboxamide",C1C2=CC=CC=C2N(C3=C(O1)C=CC(=C3)Cl)C(=O)N,"InChI=1S/C14H11ClN2O2/c15-10-5-6-13-12(7-10)17(14(16)18)11-4-2-1-3-9(11)8-19-13/h1-7H,8H2,(H2,16,18)",QAAMRPKLZCOAAY-UHFFFAOYSA-N,C14H11ClN2O2,274.7,274.0509053,2.4,55.6,352,0,1,2,0,19,,,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Matrine, 1-oxide",16837-52-8,24864132,"(1R,2R,9S,13R,17S)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one",C1C[C@@H]2[C@H]3CCC[N@+]4([C@H]3[C@@H](CCC4)CN2C(=O)C1)[O-],"InChI=1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-,17+/m0/s1",XVPBINOPNYFXID-JARXUMMXSA-N,C15H24N2O2,264.36,264.183778,1,38.4,400,0,0,2,0,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Spiro(2,9-dioxa-14-azabicyclo(9,5,1)heptadec-11-ene-4,2'-oxirane)-3,8,17-trione, 7-hydroxy-3',6,7,14-tetramethyl-",16958-29-5,6438142,"(1R,3'S,4S,6R,7R,11Z)-7-hydroxy-3',6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione",C[C@@H]1C[C@]2([C@@H](O2)C)C(=O)O[C@@H]3CCN(C/C=C(\C3=O)/COC(=O)[C@]1(C)O)C,"InChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12+,14-,18-,19+/m1/s1",CZQLULNMKQAIQL-GZSSMBGUSA-N,C19H27NO7,381.4,381.1787522,0.6,106,690,0,1,8,0,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"Phosphorodithioic acid, O-ethyl-S,S-diphenyl ester",17109-49-8,28292,[ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene,CCOP(=O)(SC1=CC=CC=C1)SC2=CC=CC=C2,"InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3",AWZOLILCOUMRDG-UHFFFAOYSA-N,C14H15O2PS2,310.4,310.0251091,3.8,76.9,276,0,0,4,6,19,,154 °C/1 Pa,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Glucopyranoside, (4-methoxy-5-oxo-5H-furo(3,2-g)(1)benzopyran-7-yl)methyl, beta-D-",17226-75-4,441966,"4-methoxy-7-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]furo[3,2-g]chromen-5-one",COC1=C2C=COC2=CC3=C1C(=O)C=C(O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,"InChI=1S/C19H20O10/c1-25-18-9-2-3-26-11(9)5-12-14(18)10(21)4-8(28-12)7-27-19-17(24)16(23)15(22)13(6-20)29-19/h2-5,13,15-17,19-20,22-24H,6-7H2,1H3/t13-,15-,16+,17-,19-/m1/s1",SJRACCTZSAUMGO-WIMVFMHDSA-N,C19H20O10,408.4,408.1056468,-0.6,148,638,0,4,10,5,29,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Morpholinecarboxamidine, sulfate (2:1)",17238-55-0,205052,bis(morpholine-4-carboximidamide);sulfuric acid,C1COCCN1C(=N)N.C1COCCN1C(=N)N.OS(=O)(=O)O,"InChI=1S/2C5H11N3O.H2O4S/c2*6-5(7)8-1-3-9-4-2-8;1-5(2,3)4/h2*1-4H2,(H3,6,7);(H2,1,2,3,4)",NJPXFDGHJDIRKX-UHFFFAOYSA-N,C10H24N6O6S,356.4,356.1478037,,208,190,0,6,8,2,23,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-, sesquifumarate",17360-35-9,6436473,tris((E)-but-2-enedioic acid);bis(1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one),C1CN(CC1)CC#CCN2C(=O)CCC2.C1CN(CC1)CC#CCN2C(=O)CCC2.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O,"InChI=1S/2C12H18N2O.3C4H4O4/c2*15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13;3*5-3(6)1-2-4(7)8/h2*1-2,5-11H2;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+",WLYYOFJEBGHKEC-VQYXCCSOSA-N,C36H48N4O14,760.8,760.3167022,,271,412,0,6,16,10,54,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Benzoxazolethiol, 5-phenyl-",17371-99-2,3032663,"5-phenyl-3H-1,3-benzoxazole-2-thione",C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=S)N3,"InChI=1S/C13H9NOS/c16-13-14-11-8-10(6-7-12(11)15-13)9-4-2-1-3-5-9/h1-8H,(H,14,16)",QKLMWNVNJBXKRG-UHFFFAOYSA-N,C13H9NOS,227.28,227.0404851,3.4,53.4,275,0,1,2,1,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isoquinolin-3-one, 1,2,3,4-tetrahydro-1-phenyl-",17507-05-0,28576,"1-phenyl-2,4-dihydro-1H-isoquinolin-3-one",C1C2=CC=CC=C2C(NC1=O)C3=CC=CC=C3,"InChI=1S/C15H13NO/c17-14-10-12-8-4-5-9-13(12)15(16-14)11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)",IAOCKKZVKNCZPK-UHFFFAOYSA-N,C15H13NO,223.27,223.099714,2.4,29.1,283,0,1,1,1,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperazine, 1,1-dithiooxalyldiiminodiethylenedi-",17551-76-7,3034507,"N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide",C1CN(CCN1)CCNC(=S)C(=S)NCCN2CCNCC2,"InChI=1S/C14H28N6S2/c21-13(17-5-11-19-7-1-15-2-8-19)14(22)18-6-12-20-9-3-16-4-10-20/h15-16H,1-12H2,(H,17,21)(H,18,22)",VHQRNZLMFMSUFY-UHFFFAOYSA-N,C14H28N6S2,344.5,344.1816873,-0.8,119,319,0,4,6,6,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,6-Methano-8H-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-8b-methyl-9-(1-methylethenyl)-, (1aR-(1a-alpha,2a-beta,3-beta,6-beta,6a-beta,8as*,8b-beta,9R*))-",17617-45-7,442292,"(1R,3R,5S,8S,9R,12S,13R,14R)-1-hydroxy-13-methyl-14-prop-1-en-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione",CC(=C)[C@@H]1[C@@H]2[C@@H]3[C@@]4([C@]([C@H]1C(=O)O2)(C[C@@H]5[C@]4(O5)C(=O)O3)O)C,"InChI=1S/C15H16O6/c1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h6-10,18H,1,4H2,2-3H3/t6-,7+,8-,9-,10-,13-,14-,15+/m1/s1",PIMZUZSSNYHVCU-YKWPQBAZSA-N,C15H16O6,292.28,292.0946882,0.5,85.4,642,0,1,6,1,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-1,3,4-Thiadiazole-2-thione, 5-mercapto-3-phenyl-",17654-88-5,1810543,"3-phenyl-1,3,4-thiadiazolidine-2,5-dithione",C1=CC=C(C=C1)N2C(=S)SC(=S)N2,"InChI=1S/C8H6N2S3/c11-7-9-10(8(12)13-7)6-4-2-1-3-5-6/h1-5H,(H,9,11)",JRFUIXXCQSIOEB-UHFFFAOYSA-N,C8H6N2S3,226.3,225.9693117,3,105,236,0,1,3,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Theophylline, 8-chloro-, compd. with 10-(2-(dimethylamino)propyl)phenothiazine (1:1)",17693-51-5,63030,"8-chloro-1,3-dimethyl-7H-purine-2,6-dione;N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine",CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl,"InChI=1S/C17H20N2S.C7H7ClN4O2/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h4-11,13H,12H2,1-3H3;1-2H3,(H,9,10)",YCXARMXCESBEDS-UHFFFAOYSA-N,C24H27ClN6O2S,499,498.160473,,101,596,0,1,6,3,34,,,0,1,1,1,0,0,1,1,0,0,0,0,0,1,0,0,0,1,0,0
"9H-Pyrrolo(1',2':2,3)isoindolo(4,5,6-cd)indol-9-one, 2,6,6a,7,11a,11b-hexahydro-10-acetyl-7,7-dimethyl-11-hydroxy-, (6a-alpha,11a,11b-alpha)-",18172-33-3,54682463,"(2R,3S,9R)-5-acetyl-4-hydroxy-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-1(17),4,11(18),12,14-pentaen-6-one",CC(=O)C1=C([C@@H]2[C@@H]3[C@@H](CC4=C5C3=CNC5=CC=C4)C(N2C1=O)(C)C)O,"InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,24H,7H2,1-3H3/t12-,16+,17+/m1/s1",SZINUGQCTHLQAZ-DQYPLSBCSA-N,C20H20N2O3,336.4,336.1473925,2.2,73.4,697,0,2,3,1,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Imidazol-1-yloxy, 4,5-dihydro-4,4,5,5-tetramethyl-2-phenyl-, 3-oxide",18390-00-6,2733513,,CC1(C([N+](=C(N1[O])C2=CC=CC=C2)[O-])(C)C)C,"InChI=1S/C13H17N2O2/c1-12(2)13(3,4)15(17)11(14(12)16)10-8-6-5-7-9-10/h5-9H,1-4H3",DYUUGILMVYJEHY-UHFFFAOYSA-N,C13H17N2O2,233.29,233.1290028,1.2,33,316,0,0,1,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"beta-D-Glucopyranose, 1,3,6-tris(3,4,5-trihydroxybenzoate)",18483-17-5,452707,"[(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate",C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O,"InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)23(44-25(40)9-3-13(30)19(35)14(31)4-9)22(38)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22-,23+,27+/m1/s1",RNKMOGIPOMVCHO-SJMVAQJGSA-N,C27H24O18,636.5,636.0962639,0.4,311,1010,0,11,18,10,45,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Cyclopenta(b)quinoline, 2,3-dihydro-9-amino-",18528-78-4,205772,"2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine",C1CC2=C(C3=CC=CC=C3N=C2C1)N,"InChI=1S/C12H12N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-2,4,6H,3,5,7H2,(H2,13,14)",GYSCQDBTSDBCGY-UHFFFAOYSA-N,C12H12N2,184.24,184.1000484,2.2,38.9,216,0,1,2,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrimidine, 4-methoxy-2-(5-methoxy-3-methyl-1H-pyrazol-1-yl)-6-methyl-",18694-40-1,3242,4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methylpyrimidine,CC1=CC(=NC(=N1)N2C(=CC(=N2)C)OC)OC,"InChI=1S/C11H14N4O2/c1-7-5-9(16-3)13-11(12-7)15-10(17-4)6-8(2)14-15/h5-6H,1-4H3",RHAXSHUQNIEUEY-UHFFFAOYSA-N,C11H14N4O2,234.25,234.1116757,1.3,62.1,254,0,0,5,3,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with piperazine",18833-13-1,6453414,"2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;piperazine",CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O.C1CNCCN1,"InChI=1S/C9H10N4O4.C4H10N2/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;1-2-6-4-3-5-1/h4H,3H2,1-2H3,(H,14,15);5-6H,1-4H2",SKKLFJHESZIVKT-UHFFFAOYSA-N,C13H20N6O4,324.34,324.1546031,,120,412,0,3,7,2,23,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphorothioic acid, O,O-diethyl O-(5-phenyl-3-isoxazolyl) ester",18854-01-8,29307,"diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane",CCOP(=S)(OCC)OC1=NOC(=C1)C2=CC=CC=C2,"InChI=1S/C13H16NO4PS/c1-3-15-19(20,16-4-2)18-13-10-12(17-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3",SDMSCIWHRZJSRN-UHFFFAOYSA-N,C13H16NO4PS,313.31,313.0537662,4.2,85.8,328,0,0,6,7,20,,160 °C/0.15 mmHg,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
Actinomycin X2,18865-48-0,159855,"2-amino-4,6-dimethyl-3-oxo-1-N-[7,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-9-N-[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide",CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CC(=O)CN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C,"InChI=1S/C62H84N12O17/c1-26(2)42-59(85)73-21-17-18-36(73)57(83)69(13)24-38(76)71(15)48(28(5)6)61(87)89-32(11)44(55(81)65-42)67-53(79)35-20-19-30(9)51-46(35)64-47-40(41(63)50(78)31(10)52(47)91-51)54(80)68-45-33(12)90-62(88)49(29(7)8)72(16)39(77)25-70(14)58(84)37-22-34(75)23-74(37)60(86)43(27(3)4)66-56(45)82/h19-20,26-29,32-33,36-37,42-45,48-49H,17-18,21-25,63H2,1-16H3,(H,65,81)(H,66,82)(H,67,79)(H,68,80)",GQZJMUMSSGCVFS-UHFFFAOYSA-N,C62H84N12O17,1269.4,1268.607739,2.8,373,3120,0,5,19,8,91,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Benzamide, N-1-adamantyl-",19026-84-7,29392,N-(1-adamantyl)benzamide,C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=CC=C4,"InChI=1S/C17H21NO/c19-16(15-4-2-1-3-5-15)18-17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14H,6-11H2,(H,18,19)",HIMFTDSGLWYLKA-UHFFFAOYSA-N,C17H21NO,255.35,255.1623143,3.9,29.1,328,0,1,1,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H-2-Benzopyran-1-methanamine, 3,4-dihydro-",19158-90-8,209070,"3,4-dihydro-1H-isochromen-1-ylmethanamine",C1COC(C2=CC=CC=C21)CN,"InChI=1S/C10H13NO/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10H,5-7,11H2",ILJDAFPFCCVDKU-UHFFFAOYSA-N,C10H13NO,163.22,163.099714,0.7,35.3,149,0,1,2,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4(3H)-Quinazolinone, 5,6,7,8-tetrahydro-",19178-19-9,135538130,"5,6,7,8-tetrahydro-3H-quinazolin-4-one",C1CCC2=C(C1)C(=O)NC=N2,"InChI=1S/C8H10N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h5H,1-4H2,(H,9,10,11)",VLGSBIJEQBQFCJ-UHFFFAOYSA-N,C8H10N2O,150.18,150.0793129,0.5,41.5,253,0,1,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"beta-D-Glucopyranoside, (1S,4aS,5R,7S,7aS)-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-7-(((2E)-1-oxo-3-phenyl-2-propenyl)oxy)cyclopenta(c)pyran-1-yl",19210-12-9,5281542,"[(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-phenylprop-2-enoate",C[C@@]1(C[C@H]([C@]2([C@@H]1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)OC(=O)/C=C/C4=CC=CC=C4,"InChI=1S/C24H30O11/c1-23(35-16(27)8-7-13-5-3-2-4-6-13)11-15(26)24(31)9-10-32-22(20(23)24)34-21-19(30)18(29)17(28)14(12-25)33-21/h2-10,14-15,17-22,25-26,28-31H,11-12H2,1H3/b8-7+/t14-,15-,17-,18+,19-,20-,21+,22+,23+,24-/m1/s1",KVRQGMOSZKPBNS-FMHLWDFHSA-N,C24H30O11,494.5,494.1788118,-0.6,175,811,0,6,11,7,35,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-1,2,4-Thiadiazine, 4,4'-methylenebis(tetrahydro-, 1,1,1',1'-tetraoxide",19388-87-5,29566,"4-[(1,1-dioxo-1,2,4-thiadiazinan-4-yl)methyl]-1,2,4-thiadiazinane 1,1-dioxide",C1CS(=O)(=O)NCN1CN2CCS(=O)(=O)NC2,"InChI=1S/C7H16N4O4S2/c12-16(13)3-1-10(5-8-16)7-11-2-4-17(14,15)9-6-11/h8-9H,1-7H2",AJKIRUJIDFJUKJ-UHFFFAOYSA-N,C7H16N4O4S2,284.4,284.0612974,-1.7,116,419,0,2,8,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Pyrimidinol, hexahydro-2-imino-, benzoate (ester), monohydrochloride",19623-16-6,197983,"(2-amino-1,4,5,6-tetrahydropyrimidin-5-yl) benzoate;hydrochloride",C1C(CN=C(N1)N)OC(=O)C2=CC=CC=C2.Cl,"InChI=1S/C11H13N3O2.ClH/c12-11-13-6-9(7-14-11)16-10(15)8-4-2-1-3-5-8;/h1-5,9H,6-7H2,(H3,12,13,14);1H",ZUZJSWCFJNUVDF-UHFFFAOYSA-N,C11H14ClN3O2,255.7,255.0774544,,76.7,285,0,3,3,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzanilide, N-benzyl-",19672-91-4,209290,N-benzyl-N-phenylbenzamide,C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=C3,"InChI=1S/C20H17NO/c22-20(18-12-6-2-7-13-18)21(19-14-8-3-9-15-19)16-17-10-4-1-5-11-17/h1-15H,16H2",QXFPKUXYJBPTCA-UHFFFAOYSA-N,C20H17NO,287.4,287.1310142,4.4,20.3,336,0,0,1,4,22,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(3,4-(methylenedioxy)phenethyl)-, (S)-",19902-91-1,88308,"(2S)-2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-2,3-dihydropyran-6-one",COC1=CC(=O)O[C@H](C1)CCC2=CC3=C(C=C2)OCO3,"InChI=1S/C15H16O5/c1-17-12-7-11(20-15(16)8-12)4-2-10-3-5-13-14(6-10)19-9-18-13/h3,5-6,8,11H,2,4,7,9H2,1H3/t11-/m0/s1",RSIWXFIBHXYNFM-NSHDSACASA-N,C15H16O5,276.28,276.0997736,2.6,54,392,0,0,5,4,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzo(b)thiophene, 6-nitro-, 1,1-dioxide",19983-44-9,2779853,"6-nitro-1-benzothiophene 1,1-dioxide",C1=CC(=CC2=C1C=CS2(=O)=O)[N+](=O)[O-],"InChI=1S/C8H5NO4S/c10-9(11)7-2-1-6-3-4-14(12,13)8(6)5-7/h1-5H",ZRRGOUHITGRLBA-UHFFFAOYSA-N,C8H5NO4S,211.2,210.9939288,0.7,88.3,375,0,0,4,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperazine, 1-(1-adamantyl)-",19984-46-4,35373,1-(1-adamantyl)piperazine,C1CN(CCN1)C23CC4CC(C2)CC(C4)C3,"InChI=1S/C14H24N2/c1-3-16(4-2-15-1)14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13,15H,1-10H2",DXYGTOJPNHDXRM-UHFFFAOYSA-N,C14H24N2,220.35,220.1939488,2.3,15.3,239,0,1,2,1,16,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzo(b)thiophen-4(5H)-one, 6,7-dihydro-, oxime",19995-19-8,6509737,"(NZ)-N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine",C1CC2=C(C=CS2)/C(=N\O)/C1,"InChI=1S/C8H9NOS/c10-9-7-2-1-3-8-6(7)4-5-11-8/h4-5,10H,1-3H2/b9-7-",JMHKHQOLEYGCNT-CLFYSBASSA-N,C8H9NOS,167.23,167.0404851,2,60.8,181,0,1,3,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(1H)-Pyridinone, 5,6-dihydro-1-((2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-",20069-09-4,637858,"1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one",COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O,"InChI=1S/C17H19NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6-8,10-11H,5,9H2,1-3H3/b8-7+",VABYUUZNAVQNPG-BQYQJAHWSA-N,C17H19NO5,317.34,317.1263227,2.1,65.1,473,0,0,5,5,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
3-Thiomorpholinone,20196-21-8,88402,thiomorpholin-3-one,C1CSCC(=O)N1,"InChI=1S/C4H7NOS/c6-4-3-7-2-1-5-4/h1-3H2,(H,5,6)",HBDDRESWUAFAHY-UHFFFAOYSA-N,C4H7NOS,117.17,117.024835,0,54.4,83,0,1,2,0,7,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isoquinoline, 3,4-dihydro-6,7-dimethoxy-, hydrochloride",20232-39-7,2724664,"6,7-dimethoxy-3,4-dihydroisoquinoline;hydrochloride",COC1=C(C=C2C=NCCC2=C1)OC.Cl,"InChI=1S/C11H13NO2.ClH/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2;/h5-7H,3-4H2,1-2H3;1H",PQXVEYYRJHMTEV-UHFFFAOYSA-N,C11H14ClNO2,227.69,227.0713064,,30.8,217,0,1,3,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Glucopyranosiduronic acid, 7,8-didehydro-4,5-alpha-epoxy-3-hydroxy-17-methylmorphinan-6-alpha-yl-, beta-D-",20290-10-2,5360621,"(2S,3S,4S,5R,6R)-6-[[(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O,"InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-5-13(31-22-17(28)15(26)16(27)19(33-22)21(29)30)20(23)32-18-12(25)4-2-9(14(18)23)8-11(10)24/h2-5,10-11,13,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,13-,15-,16-,17+,19-,20-,22+,23-/m0/s1",GNJCUHZOSOYIEC-GAROZEBRSA-N,C23H27NO9,461.5,461.1685814,-2.9,149,839,0,5,10,3,33,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"beta-D-Glucopyranoside, (3-beta,22-alpha,25R)-spirosol-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-4))-",20311-51-7,73611,"(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol",C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)NC1,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",MBWUSSKCCUMJHO-ZGXDEBHDSA-N,C45H73NO15,868.1,867.4980206,1.1,238,1610,0,9,16,7,61,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5H-Cyclooct(b)indole, 6,7,8,9,10,11-hexahydro-5-(3-(dimethylamino)propyl)-,monohydrochloride",20432-64-8,159889,"3-(6,7,8,9,10,11-hexahydrocycloocta[b]indol-5-yl)-N,N-dimethylpropan-1-amine;hydrochloride",CN(C)CCCN1C2=C(CCCCCC2)C3=CC=CC=C31.Cl,"InChI=1S/C19H28N2.ClH/c1-20(2)14-9-15-21-18-12-6-4-3-5-10-16(18)17-11-7-8-13-19(17)21;/h7-8,11,13H,3-6,9-10,12,14-15H2,1-2H3;1H",ZQUYTAXPERMDKM-UHFFFAOYSA-N,C19H29ClN2,320.9,320.2019266,,8.2,315,0,1,1,4,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Peroxycyclopentane, 3,5-dimethyl-3,5-dihydroxy-",20566-41-0,89353,"3,5-dimethyldioxolane-3,5-diol",CC1(CC(OO1)(C)O)O,"InChI=1S/C5H10O4/c1-4(6)3-5(2,7)9-8-4/h6-7H,3H2,1-2H3",ODQWDBNAMVRLSR-UHFFFAOYSA-N,C5H10O4,134.13,134.0579088,-0.4,58.9,112,0,2,4,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,1,0,1,0,0
"beta-D-Glucopyranoside, (3-beta,16-beta)-13,28-epoxy-16-hydroxyolean-11-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-(beta-D-glucopyranosyl-(1-6))-",20736-08-7,167927,"(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[[(1S,2S,4S,5R,8R,10S,13S,14R,17S,18R)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol",C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@H]3CC[C@]4([C@H](C3(C)C)CC[C@@]5([C@@H]4C=C[C@@]67[C@]5(C[C@@H]([C@@]8([C@H]6CC(CC8)(C)C)CO7)O)C)C)C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O,"InChI=1S/C48H78O17/c1-22-30(51)32(53)36(57)40(61-22)65-38-24(20-59-39-35(56)33(54)31(52)23(19-49)62-39)63-41(37(58)34(38)55)64-29-11-12-44(6)25(43(29,4)5)9-13-45(7)26(44)10-14-48-27-17-42(2,3)15-16-47(27,21-60-48)28(50)18-46(45,48)8/h10,14,22-41,49-58H,9,11-13,15-21H2,1-8H3/t22-,23+,24+,25-,26+,27+,28-,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40-,41-,44-,45+,46-,47+,48-/m0/s1",VJEMOEYSQDKAQF-JDRYWMLESA-N,C48H78O17,927.1,926.523901,1.6,267,1780,0,10,17,8,65,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-6-(beta-D-glucopyranosyloxy)-5,6-dihydro-, (5R,6S)-",20831-76-9,88708,"(3S,4R)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydro-3H-pyrano[3,4-c]pyran-8-one",C=C[C@H]1[C@@H](OC=C2C1=CCOC2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,"InChI=1S/C16H20O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2-3,6-7,10-13,15-20H,1,4-5H2/t7-,10-,11-,12+,13-,15+,16+/m1/s1",DUAGQYUORDTXOR-GPQRQXLASA-N,C16H20O9,356.32,356.1107322,-1.2,135,598,0,4,9,4,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Naphthalene, 2-(epoxyethyl)-",20861-99-8,30333,2-naphthalen-2-yloxirane,C1C(O1)C2=CC3=CC=CC=C3C=C2,"InChI=1S/C12H10O/c1-2-4-10-7-11(12-8-13-12)6-5-9(10)3-1/h1-7,12H,8H2",LAGFFQGUWPDQNH-UHFFFAOYSA-N,C12H10O,170.21,170.0731649,3,12.5,190,0,0,1,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1)Benzothieno(2,3-d)pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-2-(4-morpholinylmethyl)-",20887-01-8,210054,"2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one",C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CN4CCOCC4,"InChI=1S/C15H19N3O2S/c19-14-13-10-3-1-2-4-11(10)21-15(13)17-12(16-14)9-18-5-7-20-8-6-18/h1-9H2,(H,16,17,19)",JYDWJEICQVGGIR-UHFFFAOYSA-N,C15H19N3O2S,305.4,305.119798,1.6,82.2,450,0,1,5,2,21,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4-Thiadiazolidine-3,5-dithione",20939-17-7,3034316,"1,2,4-thiadiazolidine-3,5-dithione",C1(=S)NC(=S)SN1,"InChI=1S/C2H2N2S3/c5-1-3-2(6)7-4-1/h(H2,3,4,5,6)",OTNSJAUBOYWVEB-UHFFFAOYSA-N,C2H2N2S3,150.3,149.9380116,0.9,114,120,0,2,3,0,7,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrimidine, 2-(1-piperazinyl)-",20980-22-7,88747,2-piperazin-1-ylpyrimidine,C1CN(CCN1)C2=NC=CC=N2,"InChI=1S/C8H12N4/c1-2-10-8(11-3-1)12-6-4-9-5-7-12/h1-3,9H,4-7H2",MRBFGEHILMYPTF-UHFFFAOYSA-N,C8H12N4,164.21,164.1061964,0,41.1,127,0,1,4,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole, 3-((4-methylpiperidino)methyl)-",21000-95-3,30438,3-[(4-methylpiperidin-1-yl)methyl]-1H-indole,CC1CCN(CC1)CC2=CNC3=CC=CC=C32,"InChI=1S/C15H20N2/c1-12-6-8-17(9-7-12)11-13-10-16-15-5-3-2-4-14(13)15/h2-5,10,12,16H,6-9,11H2,1H3",DGCGMYNLCDVYMB-UHFFFAOYSA-N,C15H20N2,228.33,228.1626486,3.1,19,245,0,1,1,2,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-Anthracenedione, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-1-(beta-D-glucopyranosyloxy)-8-hydroxy-6-methyl-",21133-53-9,20054929,"1-hydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyanthracene-9,10-dione",C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC3=C(C(=C2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)C5=C(C3=O)C=C(C=C5O)C)O)O)O,"InChI=1S/C27H30O14/c1-8-3-11-16(13(29)4-8)21(33)17-12(19(11)31)5-10(39-26-24(36)22(34)18(30)9(2)38-26)6-14(17)40-27-25(37)23(35)20(32)15(7-28)41-27/h3-6,9,15,18,20,22-30,32,34-37H,7H2,1-2H3/t9-,15+,18-,20+,22+,23-,24+,25+,26-,27+/m0/s1",GPSQZOFVCVOOIE-QWVHOXPHSA-N,C27H30O14,578.5,578.1635556,-0.4,233,964,0,8,14,5,41,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-3,1-Benzoxazin-2-one, 1,2-dihydro-6-bromo-4,4-dimethyl-",21440-97-1,30630,"6-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one",CC1(C2=C(C=CC(=C2)Br)NC(=O)O1)C,"InChI=1S/C10H10BrNO2/c1-10(2)7-5-6(11)3-4-8(7)12-9(13)14-10/h3-5H,1-2H3,(H,12,13)",JRXGULDSFFLUAO-UHFFFAOYSA-N,C10H10BrNO2,256.1,254.98949,2.4,38.3,255,0,1,2,0,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"4H-3,1-Benzoxazine, 6-chloro-2-ethylamino-4-methyl-4-phenyl-",21715-46-8,135413553,"6-chloro-N-ethyl-4-methyl-4-phenyl-1H-3,1-benzoxazin-2-imine",CCN=C1NC2=C(C=C(C=C2)Cl)C(O1)(C)C3=CC=CC=C3,"InChI=1S/C17H17ClN2O/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,20)",IBYCYJFUEJQSMK-UHFFFAOYSA-N,C17H17ClN2O,300.8,300.1029409,4.1,33.6,394,0,1,2,2,21,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-2,3-Benzothiazin-4(3H)-one, 2,2-dioxide",21784-53-2,89042,"2,2-dioxo-1H-2lambda6,3-benzothiazin-4-one",C1C2=CC=CC=C2C(=O)NS1(=O)=O,"InChI=1S/C8H7NO3S/c10-8-7-4-2-1-3-6(7)5-13(11,12)9-8/h1-4H,5H2,(H,9,10)",UYXCSOAMZMOWRY-UHFFFAOYSA-N,C8H7NO3S,197.21,197.0146643,0.3,71.6,317,0,1,3,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl-",22056-47-9,211019,"4-acetyl-N-benzyl-3,5-dimethyl-1H-pyrrole-2-carboxamide",CC1=C(NC(=C1C(=O)C)C)C(=O)NCC2=CC=CC=C2,"InChI=1S/C16H18N2O2/c1-10-14(12(3)19)11(2)18-15(10)16(20)17-9-13-7-5-4-6-8-13/h4-8,18H,9H2,1-3H3,(H,17,20)",NCKJEVKMSGMNOF-UHFFFAOYSA-N,C16H18N2O2,270.33,270.1368278,2.3,62,363,0,2,2,4,20,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"(11)Cytochalasa-5,13,19-triene-1,17-dione, 21-(acetoxy)-7,18-dihydroxy-16,18-dimethyl-10-phenyl-, (7S,13E,16S,18R,19E,21R)-",22144-76-9,6440868,"[(1R,2R,3Z,5R,7S,9Z,11R,12S,15R)-16-benzyl-5,12-dihydroxy-5,7,13,14-tetramethyl-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9,13-trien-2-yl] acetate",C[C@H]1C/C=C\[C@H]2[C@@H](C(=C([C@@H]3[C@@]2([C@@H](/C=C\[C@@](C1=O)(C)O)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)C)O,"InChI=1S/C30H37NO6/c1-17-10-9-13-22-26(33)19(3)18(2)25-23(16-21-11-7-6-8-12-21)31-28(35)30(22,25)24(37-20(4)32)14-15-29(5,36)27(17)34/h6-9,11-15,17,22-26,33,36H,10,16H2,1-5H3,(H,31,35)/b13-9-,15-14-/t17-,22-,23?,24+,25-,26+,29+,30+/m0/s1",NAIODHJWOHMDJX-NGFXLRBHSA-N,C30H37NO6,507.6,507.2620879,2.2,113,1020,0,3,6,4,37,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2-Naphthoic acid, 4,4'-methylenebis(3-hydroxy-, compd. with (E)-1,4,5,6-tetrahydro-1-methyl-2-(2-(2-thienyl)vinyl)pyrimidine (1:1)",22204-24-6,5281033,"4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine",CN1CCCN=C1/C=C/C2=CC=CS2.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O,"InChI=1S/C23H16O6.C11H14N2S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2,4-6,9H,3,7-8H2,1H3/b;6-5+",AQXXZDYPVDOQEE-MXDQRGINSA-N,C34H30N2O6S,594.7,594.1824579,,159,816,0,4,8,6,43,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1,0,0
"2-Propen-1-one, 1-(2-naphthalenyl)-3-(3-nitrophenyl)-, (2E)-",22290-84-2,5371608,(E)-1-naphthalen-2-yl-3-(3-nitrophenyl)prop-2-en-1-one,C1=CC=C2C=C(C=CC2=C1)C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-],InChI=1S/C19H13NO3/c21-19(11-8-14-4-3-7-18(12-14)20(22)23)17-10-9-15-5-1-2-6-16(15)13-17/h1-13H/b11-8+,IXRSRSAIQNFEBQ-DHZHZOJOSA-N,C19H13NO3,303.3,303.0895433,4.8,62.9,468,0,0,3,3,23,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Pyrimidinol, 5-phenyl-",22433-69-8,211147,5-phenyl-1H-pyrimidin-6-one,C1=CC=C(C=C1)C2=CN=CNC2=O,"InChI=1S/C10H8N2O/c13-10-9(6-11-7-12-10)8-4-2-1-3-5-8/h1-7H,(H,11,12,13)",ZRDUKPHQUPBKHQ-UHFFFAOYSA-N,C10H8N2O,172.18,172.0636629,0.9,41.5,262,0,1,2,1,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cobinamide, acetate (salt) hydroxide, dihydrogen phosphate (ester), inner salt,3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosylbenzimidazole",22465-48-1,71308682,"acetic acid;cobalt;[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl]propanoylamino]propan-2-yl phosphate",CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])OC(C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](/C(=C(/C7=N/C(=C\C8=N/C(=C(\C4=N5)/C)/[C@H](C8(C)C)CCC(=O)N)/[C@H]([C@]7(C)CC(=O)N)CCC(=O)N)\C)/[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.CC(=O)O.[Co],"InChI=1S/C62H90N13O14P.C2H4O2.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2(3)4;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3,(H,3,4);/p-2/t31?,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",JEINOAHBVLNVDD-WYVZQNDMSA-L,C64H92CoN13O16P-2,1389.4,1388.585454,,489,3260,-2,10,21,26,95,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"4-Azatricyclo(4.3.1.1(sup 3,8))undecan-5-one",22607-75-6,286647,"4-azatricyclo[4.3.1.13,8]undecan-5-one",C1C2CC3CC1CC(C2)NC3=O,"InChI=1S/C10H15NO/c12-10-8-2-6-1-7(3-8)5-9(4-6)11-10/h6-9H,1-5H2,(H,11,12)",OKDJIRNQPPBDKJ-UHFFFAOYSA-N,C10H15NO,165.23,165.1153641,1.4,29.1,212,0,1,1,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Salicylanilide, 3'-chloro-4'-(p-chlorophenoxy)-3,5-diiodo-",22662-39-1,31475,"N-[3-chloro-4-(4-chlorophenoxy)phenyl]-2-hydroxy-3,5-diiodobenzamide",C1=CC(=CC=C1OC2=C(C=C(C=C2)NC(=O)C3=C(C(=CC(=C3)I)I)O)Cl)Cl,"InChI=1S/C19H11Cl2I2NO3/c20-10-1-4-13(5-2-10)27-17-6-3-12(9-15(17)21)24-19(26)14-7-11(22)8-16(23)18(14)25/h1-9,25H,(H,24,26)",NEMNPWINWMHUMR-UHFFFAOYSA-N,C19H11Cl2I2NO3,626,624.82054,7,58.6,507,0,2,3,4,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,1
"4H-Pyridazino(4,5-b)indol-4-one, 3,5-dihydro-",22814-13-7,135574833,"3,5-dihydropyridazino[4,5-b]indol-4-one",C1=CC=C2C(=C1)C3=C(N2)C(=O)NN=C3,"InChI=1S/C10H7N3O/c14-10-9-7(5-11-13-10)6-3-1-2-4-8(6)12-9/h1-5,12H,(H,13,14)",PPZLFMXDTOJEPB-UHFFFAOYSA-N,C10H7N3O,185.18,185.0589119,1.2,57.3,289,0,2,2,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Anisomycin,22862-76-6,253602,"[(2R,3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] acetate",CC(=O)O[C@@H]1[C@H](CN[C@@H]1CC2=CC=C(C=C2)OC)O,"InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m1/s1",YKJYKKNCCRKFSL-RDBSUJKOSA-N,C14H19NO4,265.3,265.1314081,0.9,67.8,302,0,2,5,5,19,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrazolin-5-one, 4-isopropyl-2-methyl-1-phenyl-3-((1-phenyl-2-propyl)methylamino)methyl-",22881-35-2,3326,1-methyl-5-[[methyl(1-phenylpropan-2-yl)amino]methyl]-2-phenyl-4-propan-2-ylpyrazol-3-one,CC(C)C1=C(N(N(C1=O)C2=CC=CC=C2)C)CN(C)C(C)CC3=CC=CC=C3,"InChI=1S/C24H31N3O/c1-18(2)23-22(17-25(4)19(3)16-20-12-8-6-9-13-20)26(5)27(24(23)28)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3",GNUXVOXXWGNPIV-UHFFFAOYSA-N,C24H31N3O,377.5,377.2467126,5,26.8,558,0,0,3,7,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-furyl)-2,6-dimethyl-, diethyl ester",23118-56-1,211446,"diethyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",CCOC(=O)C1=C(NC(=C(C1C2=CC=CO2)C(=O)OCC)C)C,"InChI=1S/C17H21NO5/c1-5-21-16(19)13-10(3)18-11(4)14(17(20)22-6-2)15(13)12-8-7-9-23-12/h7-9,15,18H,5-6H2,1-4H3",QEHKCWCTQOSUOP-UHFFFAOYSA-N,C17H21NO5,319.4,319.1419728,2.4,77.8,509,0,1,6,7,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"beta-D-Glucopyranoside, (2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)-1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3',6',10,11b-tetramethylspiro(9H-benzo(a)fluorene-9,2'(3'H)-furo(3,2-b)pyridin)-3-yl",23185-94-6,25078000,"(2R,3R,4S,5S,6R)-2-[(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)NC1,"InChI=1S/C33H51NO7/c1-16-11-25-27(34-14-16)18(3)33(41-25)10-8-21-22-6-5-19-12-20(7-9-32(19,4)24(22)13-23(21)17(33)2)39-31-30(38)29(37)28(36)26(15-35)40-31/h5,16,18,20-22,24-31,34-38H,6-15H2,1-4H3/t16-,18+,20-,21-,22-,24-,25+,26+,27-,28+,29-,30+,31+,32-,33-/m0/s1",OSOOWXRUSUHLOX-PBFVMIKGSA-N,C33H51NO7,573.8,573.366553,1.9,121,1090,0,5,8,3,41,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1H-1,2,4-Triazole, 5-(3-pyridyl)-",23195-63-3,211469,"3-(1H-1,2,4-triazol-5-yl)pyridine",C1=CC(=CN=C1)C2=NC=NN2,"InChI=1S/C7H6N4/c1-2-6(4-8-3-1)7-9-5-10-11-7/h1-5H,(H,9,10,11)",PFUBXXBFRUAXCG-UHFFFAOYSA-N,C7H6N4,146.15,146.0592462,0.6,54.5,128,0,1,3,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetone, bis(3,5-di-tert-butyl-4-hydroxyphenyl) mercaptole",23288-49-5,4912,"2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol",CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C,"InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3",FYPMFJGVHOHGLL-UHFFFAOYSA-N,C31H48O2S2,516.8,516.3095731,11.3,91.1,583,0,2,4,8,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(1H)-Quinazolinone, 4-phenyl-",23441-75-0,63430,4-phenyl-1H-quinazolin-2-one,C1=CC=C(C=C1)C2=NC(=O)NC3=CC=CC=C32,"InChI=1S/C14H10N2O/c17-14-15-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-9H,(H,15,16,17)",FHUBTSLLILWICW-UHFFFAOYSA-N,C14H10N2O,222.24,222.0793129,2,41.5,331,0,1,1,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Xanthen-9-one, 5,8-dihydroxy-1-(beta-D-glucopyranosyloxy)-3-methoxy-",23445-00-3,5281662,"1,5-dihydroxy-3-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one",COC1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O,"InChI=1S/C20H20O11/c1-28-7-4-9(23)13-11(5-7)29-19-8(22)2-3-10(14(19)16(13)25)30-20-18(27)17(26)15(24)12(6-21)31-20/h2-5,12,15,17-18,20-24,26-27H,6H2,1H3/t12-,15-,17+,18-,20-/m1/s1",XMVBNLMKPMPWAX-DIKOWXHZSA-N,C20H20O11,436.4,436.1005615,0.6,175,647,0,6,11,4,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Barbituric acid, 5-cinnamylidene-",23450-49-9,727420,"5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione",C1=CC=C(C=C1)/C=C/C=C2C(=O)NC(=O)NC2=O,"InChI=1S/C13H10N2O3/c16-11-10(12(17)15-13(18)14-11)8-4-7-9-5-2-1-3-6-9/h1-8H,(H2,14,15,16,17,18)/b7-4+",CRQHPZFBGAKYRX-QPJJXVBHSA-N,C13H10N2O3,242.23,242.0691422,1.6,75.3,410,0,2,3,2,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H,6H-Benzo(1,2-b:5,4-b')dipyran-2-one, 7,8-dihydro-7-hydroxy-8,8-dimethyl-, (7S)-",23458-02-8,442127,"(3S)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one",CC1([C@H](CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)C,"InChI=1S/C14H14O4/c1-14(2)12(15)6-9-5-8-3-4-13(16)17-10(8)7-11(9)18-14/h3-5,7,12,15H,6H2,1-2H3/t12-/m0/s1",BGXFQDFSVDZUIW-LBPRGKRZSA-N,C14H14O4,246.26,246.0892089,1.9,55.8,387,0,1,4,0,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Rhodanine, 3-benzyl-5-(p-chlorobenzylidene)-",23509-49-1,1565790,"(5E)-3-benzyl-5-[(4-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one",C1=CC=C(C=C1)CN2C(=O)/C(=C\C3=CC=C(C=C3)Cl)/SC2=S,"InChI=1S/C17H12ClNOS2/c18-14-8-6-12(7-9-14)10-15-16(20)19(17(21)22-15)11-13-4-2-1-3-5-13/h1-10H,11H2/b15-10+",SXKLQIXSAPAAII-XNTDXEJSSA-N,C17H12ClNOS2,345.9,345.004884,5.1,77.7,465,0,0,3,3,22,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Rhodanine, 3-(o-tolyl)-",23522-37-4,98686,"3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one",CC1=CC=CC=C1N2C(=O)CSC2=S,"InChI=1S/C10H9NOS2/c1-7-4-2-3-5-8(7)11-9(12)6-14-10(11)13/h2-5H,6H2,1H3",QRUHQDWJIHNEJU-UHFFFAOYSA-N,C10H9NOS2,223.3,223.0125563,2.8,77.7,267,0,0,3,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphoric acid, (7-chloro-bicyclo(3.2.0)hepta-2,6-dien-6-yl) dimethyl ester",23560-59-0,62773,"(7-chloro-6-bicyclo[3.2.0]hepta-2,6-dienyl) dimethyl phosphate",COP(=O)(OC)OC1=C(C2C1CC=C2)Cl,"InChI=1S/C9H12ClO4P/c1-12-15(11,13-2)14-9-7-5-3-4-6(7)8(9)10/h3-4,6-7H,5H2,1-2H3",GBAWQJNHVWMTLU-UHFFFAOYSA-N,C9H12ClO4P,250.61,250.0161736,1.3,44.8,368,0,0,4,4,15,"165 °C (Cleveland, open); 152 °C (Pensky-Martens, closed)",64 °C/0.075 mm Hg,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
Pactamycin,23668-11-3,5289124,"[(1S,2R,3R,4S,5S)-5-(3-acetylanilino)-4-amino-3-(dimethylcarbamoylamino)-1,2-dihydroxy-3-[(1S)-1-hydroxyethyl]-2-methylcyclopentyl]methyl 2-hydroxy-6-methylbenzoate",CC1=C(C(=CC=C1)O)C(=O)OC[C@]2([C@H]([C@@H]([C@]([C@@]2(C)O)([C@H](C)O)NC(=O)N(C)C)N)NC3=CC=CC(=C3)C(=O)C)O,"InChI=1S/C28H38N4O8/c1-15-9-7-12-20(35)21(15)24(36)40-14-27(39)23(30-19-11-8-10-18(13-19)16(2)33)22(29)28(17(3)34,26(27,4)38)31-25(37)32(5)6/h7-13,17,22-23,30,34-35,38-39H,14,29H2,1-6H3,(H,31,37)/t17-,22-,23-,26-,27+,28-/m0/s1",WVIUOSJLUCTGFK-JUJPXXQGSA-N,C28H38N4O8,558.6,558.2689642,0.9,195,951,0,7,10,9,40,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"7H-Benzimidazo(2,1-a)benz(de)isoquinolin-7-one",23749-58-8,90247,"3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one",C1=CC=C2C(=C1)N=C3N2C(=O)C4=CC=CC5=C4C3=CC=C5,InChI=1S/C18H10N2O/c21-18-13-8-4-6-11-5-3-7-12(16(11)13)17-19-14-9-1-2-10-15(14)20(17)18/h1-10H,NZBSAAMEZYOGBA-UHFFFAOYSA-N,C18H10N2O,270.3,270.0793129,4,34.9,450,0,0,2,0,21,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"1H-Pyrrole-2-methanol, alpha-((bis(1-methylpropyl)amino)methyl)-1-((2-chlorophenyl)methyl)-,p-hydroxybenzoate",23784-10-3,211972,1-[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]-2-[di(butan-2-yl)amino]ethanol;4-hydroxybenzoic acid,CCC(C)N(CC(C1=CC=CN1CC2=CC=CC=C2Cl)O)C(C)CC.C1=CC(=CC=C1C(=O)O)O,"InChI=1S/C21H31ClN2O.C7H6O3/c1-5-16(3)24(17(4)6-2)15-21(25)20-12-9-13-23(20)14-18-10-7-8-11-19(18)22;8-6-3-1-5(2-4-6)7(9)10/h7-13,16-17,21,25H,5-6,14-15H2,1-4H3;1-4,8H,(H,9,10)",APVBKCLHWQSJAT-UHFFFAOYSA-N,C28H37ClN2O4,501.1,500.2441854,,85.9,496,0,3,5,10,35,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-Cyclohepta(b)thiophene-3-carbonitrile, 2-amino-5,6,7,8-tetrahydro-",23917-22-8,605976,"2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile",C1CCC2=C(CC1)SC(=C2C#N)N,"InChI=1S/C10H12N2S/c11-6-8-7-4-2-1-3-5-9(7)13-10(8)12/h1-5,12H2",GBQACFCEZPKMTA-UHFFFAOYSA-N,C10H12N2S,192.28,192.0721196,3.3,78.1,232,0,1,3,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,6-Cyclodecadiene, 1-methyl-5-methylene-8-(1-methylethyl)-, (1E,6E,8S)-",23986-74-5,5317570,"(1E,6E,8S)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene",C/C/1=C\CCC(=C)/C=C/[C@@H](CC1)C(C)C,"InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8+,14-7+/t15-/m0/s1",GAIBLDCXCZKKJE-RXJOXMPGSA-N,C15H24,204.35,204.1878008,4.7,0,266,0,0,0,1,15,,,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Azatricyclo(4.3.1.1(sup 3,8))undecane, hydrochloride",24280-74-8,32271,"4-azatricyclo[4.3.1.13,8]undecane;hydrochloride",C1C2CC3CC1CC(C2)NC3.Cl,"InChI=1S/C10H17N.ClH/c1-7-2-9-3-8(1)5-10(4-7)11-6-9;/h7-11H,1-6H2;1H",AAUZOWODHWUJKM-UHFFFAOYSA-N,C10H18ClN,187.71,187.1127773,,12,152,0,2,1,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isoquinoline, 1,2,3,4-tetrahydro-7-phenyl-, hydrochloride",24464-13-9,73012351,"7-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride",C1CNCC2=C1C=CC(=C2)C3=CC=CC=C3.Cl,"InChI=1S/C15H15N.ClH/c1-2-4-12(5-3-1)14-7-6-13-8-9-16-11-15(13)10-14;/h1-7,10,16H,8-9,11H2;1H",STHNYDGTKSXUKF-UHFFFAOYSA-N,C15H16ClN,245.74,245.0971272,,12,219,0,2,1,1,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, (3S,4S)-",24533-72-0,161456,"3-[(21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid",CCC1=C(C2=NC1=CC3=C(C4=C(CC(=C5[C@H]([C@@H](C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)O)C4=N3)O)C)C,"InChI=1S/C33H34N4O3/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23/h7,12-14,17,21,36,38H,1,8-11H2,2-6H3,(H,39,40)/t17-,21-/m0/s1",FDKRLXBXYZKWRZ-UWJYYQICSA-N,C33H34N4O3,534.6,534.263091,2.6,107,1660,0,3,7,5,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Apogalanthamine, methyl-, hydrochloride",24620-67-5,32522,"4-methoxy-9-methyl-9-azoniatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-3-ol chloride",C[NH+]1CCC2=CC=CC=C2C3=C(C1)C=CC(=C3O)OC.[Cl-],"InChI=1S/C17H19NO2.ClH/c1-18-10-9-12-5-3-4-6-14(12)16-13(11-18)7-8-15(20-2)17(16)19;/h3-8,19H,9-11H2,1-2H3;1H",KIVTXMKWQLVGKL-UHFFFAOYSA-N,C17H20ClNO2,305.8,305.1182566,,33.9,322,0,2,3,1,21,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"4H-Pyran, 5,6-dihydro-2-methyl-3-(phenylcarbamoyl)-",24691-76-7,32597,"6-methyl-N-phenyl-3,4-dihydro-2H-pyran-5-carboxamide",CC1=C(CCCO1)C(=O)NC2=CC=CC=C2,"InChI=1S/C13H15NO2/c1-10-12(8-5-9-16-10)13(15)14-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,14,15)",YPCALTGLHFLNGA-UHFFFAOYSA-N,C13H15NO2,217.26,217.1102787,2.1,38.3,290,0,1,2,2,16,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"9H-Xanthen-9-one, 4-beta-D-glucopyranosyl-1,3,6,7-tetrahydroxy-",24699-16-9,5318597,"1,3,6,7-tetrahydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one",C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=CC(=C3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O,"InChI=1S/C19H18O11/c20-4-11-15(26)16(27)17(28)19(30-11)13-9(24)2-8(23)12-14(25)5-1-6(21)7(22)3-10(5)29-18(12)13/h1-3,11,15-17,19-24,26-28H,4H2/t11-,15-,16+,17-,19+/m1/s1",CDYBOKJASDEORM-HBVDJMOISA-N,C19H18O11,422.3,422.0849114,-0.4,197,646,0,8,11,2,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"6H-Indol-6-one, 3a-(3,4-dimethoxyphenyl)octahydro-1-methyl-, (3aS,7aS)-",24880-43-1,394162,"(3aS,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,4,5,7,7a-hexahydroindol-6-one",CN1CC[C@]2([C@@H]1CC(=O)CC2)C3=CC(=C(C=C3)OC)OC,"InChI=1S/C17H23NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-5,10,16H,6-9,11H2,1-3H3/t16-,17-/m0/s1",DAHIQPJTGIHDGO-IRXDYDNUSA-N,C17H23NO3,289.4,289.1677936,2,38.8,399,0,0,4,3,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphonic acid, phenyl-, 4-bromo-2,5-dichlorophenyl methyl ester",25006-32-0,32765,"1-bromo-2,5-dichloro-4-[methoxy(phenyl)phosphoryl]oxybenzene",COP(=O)(C1=CC=CC=C1)OC2=CC(=C(C=C2Cl)Br)Cl,"InChI=1S/C13H10BrCl2O3P/c1-18-20(17,9-5-3-2-4-6-9)19-13-8-11(15)10(14)7-12(13)16/h2-8H,1H3",MAKUYRKZFGSMMG-UHFFFAOYSA-N,C13H10BrCl2O3P,396,393.8928,4.6,35.5,366,0,0,3,4,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridinium, 1,1'-tetramethylenebis-, dichloride",25057-79-8,156588824,1-(4-pyridin-1-ium-1-ylbutyl)pyridin-1-ium chloride,C1=CC=[N+](C=C1)CCCC[N+]2=CC=CC=C2.[Cl-],"InChI=1S/C14H18N2.ClH/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;/h1-6,9-12H,7-8,13-14H2;1H/q+2;/p-1",IUUCWXVIQNQSFQ-UHFFFAOYSA-M,C14H18ClN2+,249.76,249.1158513,,7.8,150,1,0,1,5,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Albocycline,25129-91-3,6440973,"(3E,5R,6E,8S,9E,13S,14R)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one",C[C@H]1CC/C=C(/[C@H](/C=C/[C@@](/C=C/C(=O)O[C@@H]1C)(C)O)OC)\C,"InChI=1S/C18H28O4/c1-13-7-6-8-14(2)16(21-5)9-11-18(4,20)12-10-17(19)22-15(13)3/h8-13,15-16,20H,6-7H2,1-5H3/b11-9+,12-10+,14-8+/t13-,15+,16-,18+/m0/s1",BYWWNDLILWPPJP-REXWONOSSA-N,C18H28O4,308.4,308.1987594,2.9,55.8,464,0,1,4,1,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 2-(2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl)-3,5,7-trihydroxy-",25166-14-7,10696082,"3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one",COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(O2)C=C(C=C3)C4=C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O,"InChI=1S/C25H20O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,24,26-29,31H,10H2,1H3/t20-,24-/m1/s1",BVKQRAYKLBRNIK-HYBUGGRVSA-N,C25H20O10,480.4,480.1056468,3.1,155,816,0,5,10,4,35,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Thiomorpholine, 4-methyl-, 1,1-dioxide",25343-91-3,91413,"4-methyl-1,4-thiazinane 1,1-dioxide",CN1CCS(=O)(=O)CC1,"InChI=1S/C5H11NO2S/c1-6-2-4-9(7,8)5-3-6/h2-5H2,1H3",ULZCOWMSBOJCLT-UHFFFAOYSA-N,C5H11NO2S,149.21,149.0510498,-0.6,45.8,166,0,0,3,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Camptothecin, sodium salt",25387-67-1,23705698,"sodium (2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoate",CC[C@](C1=C(C(=O)N2CC3=CC4=CC=CC=C4N=C3C2=C1)CO)(C(=O)[O-])O.[Na+],"InChI=1S/C20H18N2O5.Na/c1-2-20(27,19(25)26)14-8-16-17-12(9-22(16)18(24)13(14)10-23)7-11-5-3-4-6-15(11)21-17;/h3-8,23,27H,2,9-10H2,1H3,(H,25,26);/q;+1/p-1/t20-;/m0./s1",HPSUBMDJBRNXKK-BDQAORGHSA-M,C20H17N2NaO5,388.3,388.1035159,,114,736,0,2,6,4,28,,,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-9,9a-bis(benzoyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, (1aR-(1a-alpha,4b-beta,4a-beta,7a-alpha,7b-alpha,8-alpha,9-beta,9a-alpha))",25405-85-0,72294,"[(1S,2S,6R,10S,11R,13S,14R,15R)-13-benzoyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] benzoate",C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6,"InChI=1S/C34H36O8/c1-19-15-25-32(39,27(19)36)17-21(18-35)16-24-26-31(3,4)34(26,42-30(38)23-13-9-6-10-14-23)28(20(2)33(24,25)40)41-29(37)22-11-7-5-8-12-22/h5-16,20,24-26,28,35,39-40H,17-18H2,1-4H3/t20-,24+,25-,26-,28-,32-,33-,34-/m1/s1",FQHYQCXMFZHLAE-PNEATKGUSA-N,C34H36O8,572.6,572.2410181,3.6,130,1210,0,3,8,7,42,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Guanidine, 1,3-bis((p-chlorobenzylidene)amino)-, monohydrochloride",25875-50-7,16212175,"1,2-bis[(E)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride",C1=CC(=CC=C1/C=N/N/C(=N/N=C/C2=CC=C(C=C2)Cl)/N)Cl.Cl,"InChI=1S/C15H13Cl2N5.ClH/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12;/h1-10H,(H3,18,21,22);1H/b19-9+,20-10+;",LTWIBTYLSRDGHP-HCURTGQUSA-N,C15H14Cl3N5,370.7,369.031479,,75.1,408,0,3,3,5,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Morpholineethanamine, N-(4-methyl-6-phenyl-3-pyridazinyl)-",25905-77-5,4199,4-methyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine,CC1=CC(=NN=C1NCCN2CCOCC2)C3=CC=CC=C3,"InChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20)",LDMWSLGGVTVJPG-UHFFFAOYSA-N,C17H22N4O,298.4,298.1793613,2,50.3,316,0,1,5,5,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"7H-Furo(3,2-g)(1)benzopyran-7-one, 4-(2,3-epoxy-3-methylbutoxy)-, (S)-(-)-",26091-73-6,33306,"4-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one",CC1([C@@H](O1)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4)C,"InChI=1S/C16H14O5/c1-16(2)13(21-16)8-19-15-9-3-4-14(17)20-12(9)7-11-10(15)5-6-18-11/h3-7,13H,8H2,1-2H3/t13-/m0/s1",QTAGQHZOLRFCBU-ZDUSSCGKSA-N,C16H14O5,286.28,286.0841235,2.6,61.2,471,0,0,5,3,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Erythromycin, 9-amino-9-deoxo-, stereoisomer",26116-56-3,83952,"(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-10-amino-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one",CC[C@@H]1[C@@]([C@@H]([C@H]([C@H]([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)N)C)O)(C)O,"InChI=1S/C37H70N2O12/c1-14-25-37(10,45)30(41)20(4)27(38)18(2)16-35(8,44)32(51-34-28(40)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-32,34,40-42,44-45H,14-17,38H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,27+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",XCLJRCAJSCMIND-JCTYMORFSA-N,C37H70N2O12,735,734.4928757,3.5,203,1140,0,6,14,7,51,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrrole, 1-(p-bromophenyl)-2-methyl-5-phenyl-",26165-82-2,122758,1-(4-bromophenyl)-2-methyl-5-phenylpyrrole,CC1=CC=C(N1C2=CC=C(C=C2)Br)C3=CC=CC=C3,"InChI=1S/C17H14BrN/c1-13-7-12-17(14-5-3-2-4-6-14)19(13)16-10-8-15(18)9-11-16/h2-12H,1H3",XQFBFCCGGAXUII-UHFFFAOYSA-N,C17H14BrN,312.2,311.03096,5.1,4.9,279,0,0,0,2,19,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"7,20-Cycloatidane-11,15-diol, 16,17-didehydro-21-ethyl-4-methyl-, (11-beta,15-beta)-",26166-37-0,24721564,"(1S,5R,9R,10S,11R,13R,14S,15S,16R)-7-ethyl-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecane-11,14-diol",CCN1C[C@@]2(CCC[C@@]34[C@@H]2C[C@@H](C31)[C@]56[C@H]4[C@H]([C@H](CC5)C(=C)[C@H]6O)O)C,"InChI=1S/C22H33NO2/c1-4-23-11-20(3)7-5-8-22-15(20)10-14(18(22)23)21-9-6-13(12(2)19(21)25)16(24)17(21)22/h13-19,24-25H,2,4-11H2,1,3H3/t13-,14+,15-,16+,17-,18?,19-,20+,21+,22+/m1/s1",OVXLNQAYPUEDSI-ZBNNHZLTSA-N,C22H33NO2,343.5,343.2511293,2.4,43.7,662,0,2,3,1,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperazine, 1-((1-pyrrolidinylcarbonyl)methyl)-4-(3',4',5'-trimethoxycinnamoyl)-, maleate",26328-04-1,5282458,"(Z)-but-2-enedioic acid;(E)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCN(CC2)CC(=O)N3CCCC3.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C22H31N3O5.C4H4O4/c1-28-18-14-17(15-19(29-2)22(18)30-3)6-7-20(26)25-12-10-23(11-13-25)16-21(27)24-8-4-5-9-24;5-3(6)1-2-4(7)8/h6-7,14-15H,4-5,8-13,16H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b7-6+;2-1-",XSTJTOKYCAJVMJ-GVTSEVKNSA-N,C26H35N3O9,533.6,533.2373297,,146,705,0,2,10,9,38,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Naphthalenesulfonic acid, compd. with (alpha-S,1R)alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenylphenethyl propionate (1:1), monohydrate",26570-10-5,33544,"[(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate;naphthalene-2-sulfonic acid;hydrate",CCC(=O)O[C@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@H](C)CN(C)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O.O,"InChI=1S/C22H29NO2.C10H8O3S.H2O/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h6-15,18H,5,16-17H2,1-4H3;1-7H,(H,11,12,13);1H2/t18-,22+;;/m1../s1",GBKONKCASNNUQD-VGHSCWAPSA-N,C32H39NO6S,565.7,565.2498091,,93.3,688,0,2,7,10,40,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
"Olean-12-en-28-oic acid, 3-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl)oxy)-23-hydroxy-, (3-beta,4-alpha)-",27013-91-8,73296,"(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid",C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@]4([C@H]([C@]3(C)CO)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)O)O,"InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1",KEOITPILCOILGM-LLJOFIFVSA-N,C41H66O12,751,750.4554275,3.6,196,1440,0,7,12,6,53,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Indole-3-carboxylic acid, 1-benzyl-",27018-76-4,33671,1-benzylindole-3-carboxylic acid,C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)O,"InChI=1S/C16H13NO2/c18-16(19)14-11-17(10-12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-9,11H,10H2,(H,18,19)",LVYDDRHDOKXFMW-UHFFFAOYSA-N,C16H13NO2,251.28,251.0946287,3.1,42.2,325,0,1,2,3,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"beta-D-Glucopyranoside, 3-hydroxy-5-((1E)-2-(4-hydroxyphenyl)ethenyl)phenyl",27208-80-6,5281718,"(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol",C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,"InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1",HSTZMXCBWJGKHG-CUYWLFDKSA-N,C20H22O8,390.4,390.1314677,1.7,140,506,0,6,8,5,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4-Benzotriazine, 3-amino-, 1,4-dioxide",27314-97-2,135413511,"1,4-dioxido-1,2,4-benzotriazine-1,4-diium-3-amine",C1=CC=C2C(=C1)[N+](=C(N=[N+]2[O-])N)[O-],"InChI=1S/C7H6N4O2/c8-7-9-11(13)6-4-2-1-3-5(6)10(7)12/h1-4H,(H2,8,9)",ORYDPOVDJJZGHQ-UHFFFAOYSA-N,C7H6N4O2,178.15,178.0490755,-0.3,89.8,191,0,1,4,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1,2-Benzothiazin-3(4H)-one, 1,1-dioxide",27363-39-9,117972,"1,1-dioxo-4H-1lambda6,2-benzothiazin-3-one",C1C2=CC=CC=C2S(=O)(=O)NC1=O,"InChI=1S/C8H7NO3S/c10-8-5-6-3-1-2-4-7(6)13(11,12)9-8/h1-4H,5H2,(H,9,10)",JBWSEIGJTHGZRV-UHFFFAOYSA-N,C8H7NO3S,197.21,197.0146643,0.3,71.6,317,0,1,3,0,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Naphthol, 1-(morpholinomethyl)-",27438-39-7,33839,1-(morpholin-4-ylmethyl)naphthalen-2-ol,C1COCCN1CC2=C(C=CC3=CC=CC=C32)O,"InChI=1S/C15H17NO2/c17-15-6-5-12-3-1-2-4-13(12)14(15)11-16-7-9-18-10-8-16/h1-6,17H,7-11H2",VNKDDFRRCCZWOU-UHFFFAOYSA-N,C15H17NO2,243.3,243.1259288,2.3,32.7,265,0,1,3,2,18,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"7,11-Methano-5H-cyclodeca(3,4)benz(1,2-b)oxet-5-one, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-",27548-93-2,65366,"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C,"InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1",OVMSOCFBDVBLFW-VHLOTGQHSA-N,C31H38O11,586.6,586.241412,1.2,166,1200,0,3,11,7,42,,,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"8-Azabicyclo(3.2.1)octane, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-8-methyl-, hydrochloride",27574-25-0,198067,3-(6H-benzo[c][1]benzothiepin-11-ylidene)-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride,CN1C2CCC1CC(=C3C4=CC=CC=C4CSC5=CC=CC=C53)C2.Cl,"InChI=1S/C22H23NS.ClH/c1-23-17-10-11-18(23)13-16(12-17)22-19-7-3-2-6-15(19)14-24-21-9-5-4-8-20(21)22;/h2-9,17-18H,10-14H2,1H3;1H",LVASURLUIYTDHW-UHFFFAOYSA-N,C22H24ClNS,370,369.1317986,,28.5,496,0,1,2,0,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-Benzisothiazole, 3-(allyloxy)-, 1,1-dioxide",27605-76-1,91587,"3-prop-2-enoxy-1,2-benzothiazole 1,1-dioxide",C=CCOC1=NS(=O)(=O)C2=CC=CC=C21,"InChI=1S/C10H9NO3S/c1-2-7-14-10-8-5-3-4-6-9(8)15(12,13)11-10/h2-6H,1,7H2",WHHIPMZEDGBUCC-UHFFFAOYSA-N,C10H9NO3S,223.25,223.0303143,1.4,64.1,380,0,0,4,3,15,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbanilide, 3,3'-di-2-imidazolin-2-yl-",27885-92-3,21389,"1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea",C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)C4=NCCN4,"InChI=1S/C19H20N6O/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26)",SCEVFJUWLLRELN-UHFFFAOYSA-N,C19H20N6O,348.4,348.1698593,0.4,89.9,526,0,4,3,4,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,1
Chetocin,28097-03-2,11657687,"(1S,3R,11R,14S)-14-(hydroxymethyl)-3-[(1S,3R,11R,14S)-14-(hydroxymethyl)-18-methyl-13,17-dioxo-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-trien-3-yl]-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione",CN1C(=O)[C@@]23C[C@]4([C@@H](N2C(=O)[C@@]1(SS3)CO)NC5=CC=CC=C54)[C@]67C[C@]89C(=O)N([C@](C(=O)N8[C@H]6NC1=CC=CC=C71)(SS9)CO)C,"InChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1",PZPPOCZWRGNKIR-PNVYSBBASA-N,C30H28N6O6S4,696.8,696.0953173,2,247,1400,0,4,12,3,46,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperidine, 1-(1,2-diphenylethyl)-, hydrochloride, (+-)-",28383-15-5,206665,"1-(1,2-diphenylethyl)piperidine;hydrochloride",C1CCN(CC1)C(CC2=CC=CC=C2)C3=CC=CC=C3.Cl,"InChI=1S/C19H23N.ClH/c1-4-10-17(11-5-1)16-19(18-12-6-2-7-13-18)20-14-8-3-9-15-20;/h1-2,4-7,10-13,19H,3,8-9,14-16H2;1H",JVRKIARTCFQTHJ-UHFFFAOYSA-N,C19H24ClN,301.9,301.1597275,,3.2,257,0,1,1,4,21,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"Pyridine, 2-(4-aminopyrazol-1-yl)-",28465-95-4,206681,1-pyridin-2-ylpyrazol-4-amine,C1=CC=NC(=C1)N2C=C(C=N2)N,"InChI=1S/C8H8N4/c9-7-5-11-12(6-7)8-3-1-2-4-10-8/h1-6H,9H2",MKNNPOHQZOTMHM-UHFFFAOYSA-N,C8H8N4,160.18,160.0748963,0.5,56.7,150,0,1,3,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"7-Oxabicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, exo,exo-",28871-62-7,168841,"(1R,2R,3S,4S)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid",C1=C[C@H]2[C@H]([C@H]([C@@H]1O2)C(=O)O)C(=O)O,"InChI=1S/C8H8O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h1-6H,(H,9,10)(H,11,12)/t3-,4+,5+,6-",ROWKCXLLOLDVIO-GUCUJZIJSA-N,C8H8O5,184.15,184.0371734,-0.8,83.8,267,0,2,5,2,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(p-chlorophenyl)-",29025-67-0,100508,"1-(4-chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane",C1CO[Si]2(OCCN1CCO2)C3=CC=C(C=C3)Cl,"InChI=1S/C12H16ClNO3Si/c13-11-1-3-12(4-2-11)18-15-8-5-14(6-9-16-18)7-10-17-18/h1-4H,5-10H2",IKFVTMCLFHXPQF-UHFFFAOYSA-N,C12H16ClNO3Si,285.8,285.0587976,,30.9,260,0,0,4,1,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinoline, 8-((beta-D-glucopyranosyl)oxy)-",29266-96-4,17175122,"(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-quinolin-8-yloxyoxane-3,4,5-triol",C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)N=CC=C2,"InChI=1S/C15H17NO6/c17-7-10-12(18)13(19)14(20)15(22-10)21-9-5-1-3-8-4-2-6-16-11(8)9/h1-6,10,12-15,17-20H,7H2/t10-,12-,13+,14-,15-/m1/s1",BWMXDESAZVPVGR-TVKJYDDYSA-N,C15H17NO6,307.3,307.1055873,-0.6,112,370,0,4,7,3,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-(1)Benzothieno(2,3-e)-1,4-diazepin-2-one, 1,3,6,7,8,9-hexahydro-5-phenyl-",29462-18-8,135412795,"5-phenyl-1,3,6,7,8,9-hexahydro-[1]benzothiolo[2,3-e][1,4]diazepin-2-one",C1CCC2=C(C1)C3=C(S2)NC(=O)CN=C3C4=CC=CC=C4,"InChI=1S/C17H16N2OS/c20-14-10-18-16(11-6-2-1-3-7-11)15-12-8-4-5-9-13(12)21-17(15)19-14/h1-3,6-7H,4-5,8-10H2,(H,19,20)",AIZFEOPQVZBNGH-UHFFFAOYSA-N,C17H16N2OS,296.4,296.0983343,3.7,69.7,444,0,1,3,1,21,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Ammonium, diethylmethyl(2-(alpha-methyl-alpha-5-norbornen-2-ylbenzyloxy)ethyl)-, bromide",29546-59-6,34625,2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenylethoxy]ethyl-diethyl-methylazanium bromide,CC[N+](C)(CC)CCOC(C)(C1CC2CC1C=C2)C3=CC=CC=C3.[Br-],"InChI=1S/C22H34NO.BrH/c1-5-23(4,6-2)14-15-24-22(3,20-10-8-7-9-11-20)21-17-18-12-13-19(21)16-18;/h7-13,18-19,21H,5-6,14-17H2,1-4H3;1H/q+1;/p-1",BOCNKEKVCTZYIX-UHFFFAOYSA-M,C22H34BrNO,408.4,407.18238,,9.2,435,0,0,2,8,25,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, N-(2-benzoylphenyl)-",29670-64-2,207331,N-(2-benzoylphenyl)benzamide,C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3,"InChI=1S/C20H15NO2/c22-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)21-20(23)16-11-5-2-6-12-16/h1-14H,(H,21,23)",HMCZRNIZFJNCEY-UHFFFAOYSA-N,C20H15NO2,301.3,301.1102787,4.8,46.2,408,0,1,2,4,23,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"6H-Dibenzo(b,d)pyran-6-one, 2,3,4,4a-tetrahydro-2,3,7-trihydroxy-9-methoxy-4a-methyl-,(2-alpha,3-beta,4a-beta)-(+-)-",29752-43-0,34687,"(2S,3S,4aS)-2,3,7-trihydroxy-9-methoxy-4a-methyl-3,4-dihydro-2H-benzo[c]chromen-6-one",C[C@]12C[C@@H]([C@H](C=C1C3=C(C(=CC(=C3)OC)O)C(=O)O2)O)O,"InChI=1S/C15H16O6/c1-15-6-12(18)10(16)5-9(15)8-3-7(20-2)4-11(17)13(8)14(19)21-15/h3-5,10,12,16-18H,6H2,1-2H3/t10-,12-,15-/m0/s1",MMHTXEATDNFMMY-WBIUFABUSA-N,C15H16O6,292.28,292.0946882,0.7,96.2,475,0,3,6,1,21,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Acetic acid, bis(p-chlorophenoxy)-",29815-94-9,34706,"2,2-bis(4-chlorophenoxy)acetic acid",C1=CC(=CC=C1OC(C(=O)O)OC2=CC=C(C=C2)Cl)Cl,"InChI=1S/C14H10Cl2O4/c15-9-1-5-11(6-2-9)19-14(13(17)18)20-12-7-3-10(16)4-8-12/h1-8,14H,(H,17,18)",ZKNSZZXBPSICFK-UHFFFAOYSA-N,C14H10Cl2O4,313.1,311.9956142,4.5,55.8,286,0,1,4,5,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2R,3R)-",29838-67-3,119258,"(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one",C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O,"InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19+,20-,21-/m0/s1",ZROGCCBNZBKLEL-MPRHSVQHSA-N,C21H22O11,450.4,450.1162115,0.4,186,676,0,7,11,3,32,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Imidazolidinone, 4-((3-butoxy-4-methoxyphenyl)methyl)-",29925-17-5,5087,4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one,CCCCOC1=C(C=CC(=C1)CC2CNC(=O)N2)OC,"InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)",PDMUULPVBYQBBK-UHFFFAOYSA-N,C15H22N2O3,278.35,278.1630426,2.4,59.6,311,0,2,3,7,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetophenone, 4'-morpholinocarbonylmethoxy-",29942-00-5,34762,2-(4-acetylphenoxy)-1-morpholin-4-ylethanone,CC(=O)C1=CC=C(C=C1)OCC(=O)N2CCOCC2,"InChI=1S/C14H17NO4/c1-11(16)12-2-4-13(5-3-12)19-10-14(17)15-6-8-18-9-7-15/h2-5H,6-10H2,1H3",IEYNXHCBGBVCPE-UHFFFAOYSA-N,C14H17NO4,263.29,263.115758,0.4,55.8,317,0,0,4,4,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Benzimidazolinethione, hexahydro-",30086-64-7,2823848,"1,3,3a,4,5,6,7,7a-octahydrobenzimidazole-2-thione",C1CCC2C(C1)NC(=S)N2,"InChI=1S/C7H12N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h5-6H,1-4H2,(H2,8,9,10)",INYFNNKRGLROQV-UHFFFAOYSA-N,C7H12N2S,156.25,156.0721196,1.1,56.2,142,0,2,1,0,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Imidazole-2-thiol, 1-(m-chlorophenyl)-",30192-81-5,2757790,3-(3-chlorophenyl)-1H-imidazole-2-thione,C1=CC(=CC(=C1)Cl)N2C=CNC2=S,"InChI=1S/C9H7ClN2S/c10-7-2-1-3-8(6-7)12-5-4-11-9(12)13/h1-6H,(H,11,13)",QEXPSALLWMDPFX-UHFFFAOYSA-N,C9H7ClN2S,210.68,210.0018471,2.1,47.4,242,0,1,1,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetophenone, 4'-piperidinocarbonylmethoxy-",31188-99-5,35751,2-(4-acetylphenoxy)-1-piperidin-1-ylethanone,CC(=O)C1=CC=C(C=C1)OCC(=O)N2CCCCC2,"InChI=1S/C15H19NO3/c1-12(17)13-5-7-14(8-6-13)19-11-15(18)16-9-3-2-4-10-16/h5-8H,2-4,9-11H2,1H3",HFHLKKYWNAOHCI-UHFFFAOYSA-N,C15H19NO3,261.32,261.1364935,1.5,46.6,315,0,0,3,4,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1,2,4-Triazole, 1-(diphenyl-(3-(trifluoromethyl)phenyl)methyl)-",31251-03-3,91600,"1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole",C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC(=CC=C3)C(F)(F)F)N4C=NC=N4,"InChI=1S/C22H16F3N3/c23-22(24,25)20-13-7-12-19(14-20)21(28-16-26-15-27-28,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16H",LXMQMMSGERCRSU-UHFFFAOYSA-N,C22H16F3N3,379.4,379.129632,5.7,30.7,480,0,0,5,4,28,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"7-Oxabicyclo(4.1.0)hept-3-en-2-one, 5-hydroxy-3-(1-hydroxy-3-methyl-2-butenyl)-, (1S-(1-alpha,3(S*),5-alpha,6-alpha))-",31298-54-1,11148494,"(1S,5R,6S)-5-hydroxy-3-[(1S)-1-hydroxy-3-methylbut-2-enyl]-7-oxabicyclo[4.1.0]hept-3-en-2-one",CC(=C[C@@H](C1=C[C@H]([C@H]2[C@@H](C1=O)O2)O)O)C,"InChI=1S/C11H14O4/c1-5(2)3-7(12)6-4-8(13)10-11(15-10)9(6)14/h3-4,7-8,10-13H,1-2H3/t7-,8+,10-,11+/m0/s1",MBXKEYXHJAZKBP-GISOBZBCSA-N,C11H14O4,210.23,210.0892089,0.6,70.1,352,0,2,4,2,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Furaldehyde, 4-phenylthiosemicarbazone",31397-09-8,5717720,1-[(E)-furan-2-ylmethylideneamino]-3-phenylthiourea,C1=CC=C(C=C1)NC(=S)N/N=C/C2=CC=CO2,"InChI=1S/C12H11N3OS/c17-12(14-10-5-2-1-3-6-10)15-13-9-11-7-4-8-16-11/h1-9H,(H2,14,15,17)/b13-9+",VEVZWLDVAFRIQA-UKTHLTGXSA-N,C12H11N3OS,245.3,245.0622832,2.6,81.7,277,0,2,3,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butyrophenone, 4'-fluoro-4-(8-fluoro-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indol-2-yl)-hydrochloride",31540-62-2,24213095,"1-(4-fluorophenyl)-4-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butan-1-one;hydrochloride",C1CN(CC2=C1NC3=C2C=C(C=C3)F)CCCC(=O)C4=CC=C(C=C4)F.Cl,"InChI=1S/C21H20F2N2O.ClH/c22-15-5-3-14(4-6-15)21(26)2-1-10-25-11-9-20-18(13-25)17-12-16(23)7-8-19(17)24-20;/h3-8,12,24H,1-2,9-11,13H2;1H",LGNFRLBPCVLGOB-UHFFFAOYSA-N,C21H21ClF2N2O,390.9,390.1310473,,36.1,494,0,2,4,5,27,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phthalimide, N-trityloxy-",31938-10-0,208293,"2-trityloxyisoindole-1,3-dione",C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)ON4C(=O)C5=CC=CC=C5C4=O,"InChI=1S/C27H19NO3/c29-25-23-18-10-11-19-24(23)26(30)28(25)31-27(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H",QJACGYUVHYUJHZ-UHFFFAOYSA-N,C27H19NO3,405.4,405.1364935,5.6,46.6,573,0,0,3,5,31,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperazine, 1-(3,4-methylenedioxybenzyl)-",32231-06-4,94426,"1-(1,3-benzodioxol-5-ylmethyl)piperazine",C1CN(CCN1)CC2=CC3=C(C=C2)OCO3,"InChI=1S/C12H16N2O2/c1-2-11-12(16-9-15-11)7-10(1)8-14-5-3-13-4-6-14/h1-2,7,13H,3-6,8-9H2",NBOOZXVYXHATOW-UHFFFAOYSA-N,C12H16N2O2,220.27,220.1211778,1.1,33.7,231,0,1,4,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Tetrazoline-5-thione, 1-(hydroxymethyl)-4-phenyl-",32550-63-3,208599,1-(hydroxymethyl)-4-phenyltetrazole-5-thione,C1=CC=C(C=C1)N2C(=S)N(N=N2)CO,"InChI=1S/C8H8N4OS/c13-6-11-8(14)12(10-9-11)7-4-2-1-3-5-7/h1-5,13H,6H2",BTUJSUDWUWIQPV-UHFFFAOYSA-N,C8H8N4OS,208.24,208.0418821,1.8,83.5,252,0,1,4,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Dibenzo(f,h)pyrrolo(1,2-b)isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,6-trimethoxy-, (13aR)-",32671-82-2,639288,"(13aR)-2,3,6-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine",COC1=CC2=C(C=C1)C3=C(C[C@H]4CCCN4C3)C5=CC(=C(C=C52)OC)OC,"InChI=1S/C23H25NO3/c1-25-15-6-7-16-18(10-15)20-12-23(27-3)22(26-2)11-19(20)17-9-14-5-4-8-24(14)13-21(16)17/h6-7,10-12,14H,4-5,8-9,13H2,1-3H3/t14-/m1/s1",NCVWJDISIZHFQS-CQSZACIVSA-N,C23H25NO3,363.4,363.1834437,4.8,30.9,528,0,0,4,3,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenesulfonic acid, compd. with 10-(2-(1-methyl-2-piperidinyl)ethyl)-2-(methylsulfinyl)ethyl)-10H-phenothiazine (1:1)",32672-69-8,36207,benzenesulfonic acid;10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine,CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)C.C1=CC=C(C=C1)S(=O)(=O)O,"InChI=1S/C21H26N2OS2.C6H6O3S/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23;7-10(8,9)6-4-2-1-3-5-6/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3;1-5H,(H,7,8,9)",CRJHBCPQHRVYBS-UHFFFAOYSA-N,C27H32N2O4S3,544.8,544.152421,,131,686,0,1,8,5,36,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,4-Triazole, 4-salicylideneamino-",32787-84-1,135478834,"2-[(E)-1,2,4-triazol-4-yliminomethyl]phenol",C1=CC=C(C(=C1)/C=N/N2C=NN=C2)O,"InChI=1S/C9H8N4O/c14-9-4-2-1-3-8(9)5-12-13-6-10-11-7-13/h1-7,14H/b12-5+",GKPHOGZVUNCBKS-LFYBBSHMSA-N,C9H8N4O,188.19,188.0698109,0.8,63.3,203,0,1,4,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Oxazolin-4-one, 5-phenyl-2-(2-propynylamino)-",32962-46-2,135400197,"5-phenyl-2-prop-2-ynylimino-1,3-oxazolidin-4-one",C#CCN=C1NC(=O)C(O1)C2=CC=CC=C2,"InChI=1S/C12H10N2O2/c1-2-8-13-12-14-11(15)10(16-12)9-6-4-3-5-7-9/h1,3-7,10H,8H2,(H,13,14,15)",WWTYGEPOGPVBJS-UHFFFAOYSA-N,C12H10N2O2,214.22,214.0742276,1.5,50.7,347,0,1,3,2,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetophenone, 2-((p-nitrophenyl)thio)-",33046-48-9,36307,2-(4-nitrophenyl)sulfanyl-1-phenylethanone,C1=CC=C(C=C1)C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-],"InChI=1S/C14H11NO3S/c16-14(11-4-2-1-3-5-11)10-19-13-8-6-12(7-9-13)15(17)18/h1-9H,10H2",MSDOBISTMBKIFE-UHFFFAOYSA-N,C14H11NO3S,273.31,273.0459644,3.7,88.2,315,0,0,4,4,19,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Propanediamine, N,N-diethyl-N'-2-indanyl-N'-phenyl-, monohydrochloride",33237-74-0,71413,"N'-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-N'-phenylpropane-1,3-diamine;hydrochloride",CCN(CC)CCCN(C1CC2=CC=CC=C2C1)C3=CC=CC=C3.Cl,"InChI=1S/C22H30N2.ClH/c1-3-23(4-2)15-10-16-24(21-13-6-5-7-14-21)22-17-19-11-8-9-12-20(19)18-22;/h5-9,11-14,22H,3-4,10,15-18H2,1-2H3;1H",KIPFVRHNAAZJOD-UHFFFAOYSA-N,C22H31ClN2,358.9,358.2175767,,6.5,332,0,1,2,8,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-beta-Card-20(22)-enolide, 3-beta-((O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl-(1-4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-",33279-57-1,20055295,"(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde",C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O,"InChI=1S/C42H64O19/c1-19-36(61-38-35(51)33(49)31(47)27(60-38)17-56-37-34(50)32(48)30(46)26(15-43)59-37)25(54-3)13-29(57-19)58-21-4-9-40(18-44)23-5-8-39(2)22(20-12-28(45)55-16-20)7-11-42(39,53)24(23)6-10-41(40,52)14-21/h12,18-19,21-27,29-38,43,46-53H,4-11,13-17H2,1-3H3/t19-,21+,22-,23+,24-,25+,26-,27-,29+,30-,31-,32+,33+,34-,35-,36-,37-,38+,39-,40+,41+,42+/m1/s1",GILGYKHFZXQALF-FBPIOBPTSA-N,C42H64O19,872.9,872.4041798,-2.9,290,1630,0,9,19,11,61,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,2'-Bipyridine, 1-oxide",33421-43-1,36463,1-oxido-2-pyridin-2-ylpyridin-1-ium,C1=CC=NC(=C1)C2=CC=CC=[N+]2[O-],InChI=1S/C10H8N2O/c13-12-8-4-2-6-10(12)9-5-1-3-7-11-9/h1-8H,KIKATWFLYDKKOL-UHFFFAOYSA-N,C10H8N2O,172.18,172.0636629,0.5,38.4,163,0,0,2,1,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Naphtho(1,2-d)-1,3-dioxole, 9-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-4-methoxy-7,8-bis(methoxymethyl)-, (7R,8R,9S)-rel-",33676-00-5,182140,"(7R,8R,9S)-9-(3,4-dimethoxyphenyl)-4-methoxy-7,8-bis(methoxymethyl)-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole",COC[C@@H]1CC2=CC(=C3C(=C2[C@@H]([C@H]1COC)C4=CC(=C(C=C4)OC)OC)OCO3)OC,"InChI=1S/C24H30O7/c1-25-11-16-8-15-10-20(29-5)23-24(31-13-30-23)22(15)21(17(16)12-26-2)14-6-7-18(27-3)19(9-14)28-4/h6-7,9-10,16-17,21H,8,11-13H2,1-5H3/t16-,17-,21+/m0/s1",LBJCUHLNHSKZBW-XGHQBKJUSA-N,C24H30O7,430.5,430.1991533,3.6,64.6,560,0,0,7,8,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperazinium, 1,1-dimethyl-, chloride",33950-02-6,214727,"1,1-dimethylpiperazin-1-ium chloride",C[N+]1(CCNCC1)C.[Cl-],"InChI=1S/C6H15N2.ClH/c1-8(2)5-3-7-4-6-8;/h7H,3-6H2,1-2H3;1H/q+1;/p-1",LYIYDTGQPFKTMD-UHFFFAOYSA-M,C6H15ClN2,150.65,150.0923762,,12,70,0,1,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"24,25,26-Trinoroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-9,13-dimethyl-2-oxo-, (9beta,13alpha,14beta,20alpha)-",34157-83-0,122724,"(2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid",CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)O)C)C)C)C)O,"InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1",KQJSQWZMSAGSHN-JJWQIEBTSA-N,C29H38O4,450.6,450.2770097,5.9,74.6,1100,0,2,4,1,33,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5H-Dibenzo(b,e)(1,4)diazepine, 8-chloro-11-(4-methyl-1-piperazinyl)-, N-oxide",34233-69-7,135445691,"3-chloro-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-11H-benzo[b][1,4]benzodiazepine",C[N+]1(CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42)[O-],"InChI=1S/C18H19ClN4O/c1-23(24)10-8-22(9-11-23)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3",OGUCZBIQSYYWEF-UHFFFAOYSA-N,C18H19ClN4O,342.8,342.1247389,2.5,45.7,491,0,1,3,1,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1,3-Oxazine-2,6(3H)-dione",34314-63-1,73278,"3H-1,3-oxazine-2,6-dione",C1=CNC(=O)OC1=O,"InChI=1S/C4H3NO3/c6-3-1-2-5-4(7)8-3/h1-2H,(H,5,7)",WQAIPNTUCFSZRZ-UHFFFAOYSA-N,C4H3NO3,113.07,113.011293,-0.4,55.4,161,0,1,3,0,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Chikusetsusaponin V,34367-04-9,11815492,"(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid",C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O,"InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-35(58)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(33(56)32(55)36(65-41)38(59)60)66-39-34(57)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)/t22-,23+,24+,25-,26+,27-,28+,29+,30-,31-,32-,33-,34+,35+,36-,37+,39-,40-,41+,45-,46+,47+,48-/m0/s1",NFZYDZXHKFHPGA-QQHDHSITSA-N,C48H76O19,957.1,956.4980802,2.7,312,1880,0,11,19,10,67,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Propanamine, 3-benzofuro(3,2-c)(1)benzoxepin-6(12H)-ylidene-N,N-dimethyl-,(E)-2-butenedioate (1:1)",34522-46-8,76971374,"3-(12H-[1]benzofuro[3,2-c][1]benzoxepin-6-ylidene)-N,N-dimethylpropan-1-amine;(E)-but-2-enedioic acid",CN(C)CCC=C1C2=CC=CC=C2OCC3=C1OC4=CC=CC=C34.C(=C/C(=O)O)\C(=O)O,"InChI=1S/C21H21NO2.C4H4O4/c1-22(2)13-7-10-17-15-8-3-5-11-19(15)23-14-18-16-9-4-6-12-20(16)24-21(17)18;5-3(6)1-2-4(7)8/h3-6,8-12H,7,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+",DQHRYCOJUKGIDH-WLHGVMLRSA-N,C25H25NO6,435.5,435.1681875,,100,580,0,2,7,5,32,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, N-2-benzothiazolyl-4-nitro-",35353-21-0,215271,"N-(1,3-benzothiazol-2-yl)-4-nitrobenzamide",C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-],"InChI=1S/C14H9N3O3S/c18-13(9-5-7-10(8-6-9)17(19)20)16-14-15-11-3-1-2-4-12(11)21-14/h1-8H,(H,15,16,18)",GOKOILBJPWVKQU-UHFFFAOYSA-N,C14H9N3O3S,299.31,299.0364623,3.4,116,407,0,1,5,2,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,4-Triazolo(3,4-a)isoquinoline, 5,6-dihydro-3-(trifluoromethyl)-",35515-45-8,215336,"3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline",C1CN2C(=NN=C2C(F)(F)F)C3=CC=CC=C31,"InChI=1S/C11H8F3N3/c12-11(13,14)10-16-15-9-8-4-2-1-3-7(8)5-6-17(9)10/h1-4H,5-6H2",CKURCLLORFIUIH-UHFFFAOYSA-N,C11H8F3N3,239.2,239.0670318,2,30.7,294,0,0,5,0,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenanthro(1,2-b)furan-10,11-dione, 1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-, (1R)-",35825-57-1,160254,"(1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione",C[C@H]1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C,"InChI=1S/C19H20O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1",GVKKJJOMQCNPGB-JTQLQIEISA-N,C19H20O3,296.4,296.1412445,3.8,43.4,571,0,0,3,0,22,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,17-Dioxabicyclo(14.1.0)heptadec-14-ene-10-acetaldehyde, 3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-9-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-",35834-26-5,6537204,"2-[(1S,2R,3R,7R,8S,9S,10R,12R,14E,16S)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde",CC[C@@H]1[C@H]([C@H]2[C@@](O2)(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)CC=O)C)C)C,"InChI=1S/C31H51NO9/c1-9-25-20(5)29-31(6,41-29)12-10-23(34)17(2)14-21(11-13-33)28(19(4)24(35)16-26(36)39-25)40-30-27(37)22(32(7)8)15-18(3)38-30/h10,12-13,17-22,24-25,27-30,35,37H,9,11,14-16H2,1-8H3/b12-10+/t17-,18-,19+,20-,21+,22+,24-,25-,27-,28-,29+,30+,31+/m1/s1",IUPCWCLVECYZRV-JZMZINANSA-N,C31H51NO9,581.7,581.3563822,2.3,135,941,0,2,10,6,41,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Dianemycin,35865-33-9,86278938,"(E,2S,4R,8S)-8-[(2S,5R,7S,8R,9R)-7-hydroxy-2-[(2R,4S,5S,7R,9S,10R)-2-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-9-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-4,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxonon-6-enoic acid",C[C@H]1C[C@H]([C@@](O[C@@H]1[C@H]2C[C@@H]([C@@]3(O2)[C@@H]([C@H](C[C@@H](O3)[C@@]4(CC[C@@]5(O4)C[C@@H]([C@H]([C@H](O5)[C@@H](C)/C=C(\C)/C(=O)[C@H](C)C[C@H](C)C(=O)O)C)O)C)O[C@@H]6CC[C@@H]([C@H](O6)C)OC)C)C)(CO)O)C,"InChI=1S/C47H78O14/c1-24(40(50)25(2)18-28(5)43(51)52)17-26(3)41-31(8)34(49)22-45(59-41)16-15-44(11,61-45)38-21-36(56-39-14-13-35(54-12)33(10)55-39)32(9)47(58-38)30(7)20-37(57-47)42-27(4)19-29(6)46(53,23-48)60-42/h17,25-39,41-42,48-49,53H,13-16,18-23H2,1-12H3,(H,51,52)/b24-17+/t25-,26+,27+,28+,29-,30+,31-,32-,33-,34+,35+,36+,37-,38-,39-,41-,42+,44+,45-,46+,47+/m1/s1",FELYAZAWTURXNF-KWJIWYEDSA-N,C47H78O14,867.1,866.5391572,5.8,189,1570,0,4,14,13,61,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, N,N'-(oxybis(2,1-ethanediyloxy-4,1-phenylene))bis-",36141-82-9,37384,N-[4-[2-[2-(4-acetamidophenoxy)ethoxy]ethoxy]phenyl]acetamide,CC(=O)NC1=CC=C(C=C1)OCCOCCOC2=CC=C(C=C2)NC(=O)C,"InChI=1S/C20H24N2O5/c1-15(23)21-17-3-7-19(8-4-17)26-13-11-25-12-14-27-20-9-5-18(6-10-20)22-16(2)24/h3-10H,11-14H2,1-2H3,(H,21,23)(H,22,24)",JNEZCZPNQCQCFK-UHFFFAOYSA-N,C20H24N2O5,372.4,372.1685219,1.8,85.9,404,0,2,5,10,27,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2-hydroxy-, compd. with 1H-imidazole (1:1)",36364-49-5,37425,2-hydroxybenzoic acid;1H-imidazole,C1=CC=C(C(=C1)C(=O)O)O.C1=CN=CN1,"InChI=1S/C7H6O3.C3H4N2/c8-6-4-2-1-3-5(6)7(9)10;1-2-5-3-4-1/h1-4,8H,(H,9,10);1-3H,(H,4,5)",XCHHJFVNQPPLJK-UHFFFAOYSA-N,C10H10N2O3,206.2,206.0691422,,86.2,161,0,3,4,1,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Ikarugamycin,36531-78-9,54680304,"(1Z,3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1,3,13,18-tetraene-20,27,28-trione",CC[C@@H]1[C@@H](C[C@H]2[C@H]1C=C[C@H]3[C@@H]2C[C@@H]/4[C@@H]3C/C=C\C(=O)NCCC[C@H]5C(=O)/C(=C(\C=C4)/O)/C(=O)N5)C,"InChI=1S/C29H38N2O4/c1-3-18-16(2)14-22-20(18)10-11-21-19-6-4-8-26(33)30-13-5-7-24-28(34)27(29(35)31-24)25(32)12-9-17(19)15-23(21)22/h4,8-12,16-24,32H,3,5-7,13-15H2,1-2H3,(H,30,33)(H,31,35)/b8-4-,12-9+,27-25-/t16-,17-,18-,19+,20+,21-,22+,23+,24+/m1/s1",GHXZHWYUSAWISC-KZRBWAKNSA-N,C29H38N2O4,478.6,478.2831577,5,95.5,1010,0,3,4,1,35,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-(acetylamino)-,ethyl ester",36860-52-3,215959,"ethyl 4-acetamido-3-thia-1-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene-5-carboxylate",CCOC(=O)C1=C(SC2=C1C3CCN2CC3)NC(=O)C,"InChI=1S/C14H18N2O3S/c1-3-19-14(18)11-10-9-4-6-16(7-5-9)13(10)20-12(11)15-8(2)17/h9H,3-7H2,1-2H3,(H,15,17)",WFDYVEFKQOEFJU-UHFFFAOYSA-N,C14H18N2O3S,294.37,294.1038136,2.7,86.9,409,0,1,5,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyrazineethanol, alpha-phenyl-",36914-69-9,215978,1-phenyl-2-pyrazin-2-ylethanol,C1=CC=C(C=C1)C(CC2=NC=CN=C2)O,"InChI=1S/C12H12N2O/c15-12(10-4-2-1-3-5-10)8-11-9-13-6-7-14-11/h1-7,9,12,15H,8H2",GCLRAFFYSKHBNT-UHFFFAOYSA-N,C12H12N2O,200.24,200.094963,0.9,46,180,0,1,3,3,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(1H)-Pyrimidinone, 3,6-dihydro-1-(2-hydroxyphenyl)-4-(3-nitrophenyl)-",36945-98-9,161930,"3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one",C1C=C(NC(=O)N1C2=CC=CC=C2O)C3=CC(=CC=C3)[N+](=O)[O-],"InChI=1S/C16H13N3O4/c20-15-7-2-1-6-14(15)18-9-8-13(17-16(18)21)11-4-3-5-12(10-11)19(22)23/h1-8,10,20H,9H2,(H,17,21)",RCEFMOGVOYEGJN-UHFFFAOYSA-N,C16H13N3O4,311.29,311.0906059,2.2,98.4,502,0,2,4,2,23,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzimidazole, 2-cyclohexyl-",36947-70-3,37587,2-cyclohexyl-1H-benzimidazole,C1CCC(CC1)C2=NC3=CC=CC=C3N2,"InChI=1S/C13H16N2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h4-5,8-10H,1-3,6-7H2,(H,14,15)",ZUKYCLYMFNPDCT-UHFFFAOYSA-N,C13H16N2,200.28,200.1313485,4,28.7,211,0,1,1,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"D-chiro-Inositol, 1,5,6-trideoxy-3-O-beta-D-glucopyranosyl-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-, (1S-(1-alpha,4-alpha,5-beta,6-alpha))-",37248-47-8,443629,"(2R,3R,4S,5S,6R)-2-[(1R,2R,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO,"InChI=1S/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20/h1,7-32H,2-5H2/t7-,8+,9+,10-,11-,12+,13+,14-,15+,16+,17-,18-,19-,20+/m1/s1",JARYYMUOCXVXNK-CSLFJTBJSA-N,C20H35NO13,497.5,497.2108402,-6.3,253,697,0,12,14,7,34,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Adamantanecarboxylic acid, 1-phenyl-",37589-22-3,37791,3-phenyladamantane-1-carboxylic acid,C1C2CC3(CC1CC(C2)(C3)C(=O)O)C4=CC=CC=C4,"InChI=1S/C17H20O2/c18-15(19)17-9-12-6-13(10-17)8-16(7-12,11-17)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,18,19)",APWLCUAAISKVPI-UHFFFAOYSA-N,C17H20O2,256.34,256.1463299,3.9,37.3,380,0,1,2,2,19,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"7H-1,2,3-Triazolo(4,5-d)pyrimidin-7-one, 1,4-dihydro-5-(2-propoxyphenyl)-",37762-06-4,135399235,"5-(2-propoxyphenyl)-2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one",CCCOC1=CC=CC=C1C2=NC3=NNN=C3C(=O)N2,"InChI=1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)",REZGGXNDEMKIQB-UHFFFAOYSA-N,C13H13N5O2,271.27,271.1069247,1.6,92.3,400,0,2,5,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Spiro(1-azabicyclo(2.2.2)octane-3,4'-imidazolidine)-2',5'-dione",37874-20-7,216929,"spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione",C1CN2CCC1C3(C2)C(=O)NC(=O)N3,"InChI=1S/C9H13N3O2/c13-7-9(11-8(14)10-7)5-12-3-1-6(9)2-4-12/h6H,1-5H2,(H2,10,11,13,14)",IKRSGHMLOHITNH-UHFFFAOYSA-N,C9H13N3O2,195.22,195.1007767,-0.6,61.4,309,0,2,3,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridinium, 1-(2-(((5-(diethylamino)-2-((4-((dimethylamino)sulfonyl)phenyl)azo)phenyl)sulfonyl)amino)ethyl)-, chloride",38051-02-4,217048,5-(diethylamino)-2-[[4-(dimethylsulfamoyl)phenyl]diazenyl]-N-(2-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride,CCN(CC)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)N(C)C)S(=O)(=O)NCC[N+]3=CC=CC=C3.[Cl-],"InChI=1S/C25H33N6O4S2.ClH/c1-5-31(6-2)22-12-15-24(28-27-21-10-13-23(14-11-21)37(34,35)29(3)4)25(20-22)36(32,33)26-16-19-30-17-8-7-9-18-30;/h7-15,17-18,20,26H,5-6,16,19H2,1-4H3;1H/q+1;/p-1",RZLODSHXMGASGM-UHFFFAOYSA-M,C25H33ClN6O4S2,581.2,580.1693236,,132,914,0,1,10,12,38,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Butanone, 1-(p-chlorophenoxy)-3,3-dimethyl-1-(1-imidazolyl)-",38083-17-9,37907,"1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one",CC(C)(C)C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)Cl,"InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3",OWEGWHBOCFMBLP-UHFFFAOYSA-N,C15H17ClN2O2,292.76,292.0978555,3.7,44.1,335,0,0,3,5,20,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
Bicyclomycin,38129-37-2,65807,"(1S,6R)-6-hydroxy-5-methylidene-1-[(1S,2S)-1,2,3-trihydroxy-2-methylpropyl]-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione",C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@](C(=C)CCO1)(C(=O)N2)O)O)O,"InChI=1S/C12H18N2O7/c1-6-3-4-21-12(7(16)10(2,19)5-15)9(18)13-11(6,20)8(17)14-12/h7,15-16,19-20H,1,3-5H2,2H3,(H,13,18)(H,14,17)/t7-,10-,11+,12-/m0/s1",WOUDXEYYJPOSNE-VKZDFBPFSA-N,C12H18N2O7,302.28,302.1114009,-2.9,148,510,0,6,7,3,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphonous acid, (1,1'-biphenyl)-4,4'-diylbis-, tetrakis(2,4-bis(1,1-dimethylethyl)phenyl) ester",38613-77-3,93207,"[4-[4-bis(2,4-ditert-butylphenoxy)phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphane",CC(C)(C)C1=CC(=C(C=C1)OP(C2=CC=C(C=C2)C3=CC=C(C=C3)P(OC4=C(C=C(C=C4)C(C)(C)C)C(C)(C)C)OC5=C(C=C(C=C5)C(C)(C)C)C(C)(C)C)OC6=C(C=C(C=C6)C(C)(C)C)C(C)(C)C)C(C)(C)C,"InChI=1S/C68H92O4P2/c1-61(2,3)47-29-37-57(53(41-47)65(13,14)15)69-73(70-58-38-30-48(62(4,5)6)42-54(58)66(16,17)18)51-33-25-45(26-34-51)46-27-35-52(36-28-46)74(71-59-39-31-49(63(7,8)9)43-55(59)67(19,20)21)72-60-40-32-50(64(10,11)12)44-56(60)68(22,23)24/h25-44H,1-24H3",BEIOEBMXPVYLRY-UHFFFAOYSA-N,C68H92O4P2,1035.4,1034.647085,23.5,36.9,1470,0,0,4,19,74,,,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Trisoxireno(4b,5:6,7:8a,9)phenanthro(1,2-c)furan-1,6(3H,6aH)-dione, 3b,4,4a,7a,7b,8b,9,10-octahydro-8b-methyl-6a-(1-methylethyl)-, (3bS,4aS,5aS,6aS,7aS,7bS,8aS,8bS)-",38647-11-9,65411,"(1S,2S,4S,5S,7S,9S,11S,13S)-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-ene-8,17-dione",CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4(C2=O)O7)COC6=O)C,"InChI=1S/C20H22O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14H,4-7H2,1-3H3/t11-,12-,13-,14-,17-,18-,19+,20+/m0/s1",SWOVVKGLGOOUKI-ZHGGVEMFSA-N,C20H22O6,358.4,358.1416384,0.7,81,860,0,0,6,1,26,,,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Morpholinium, 4-(3-((9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)amino)propyl)-4-methyl-, methyl sulfate",38866-20-5,16205112,"1-hydroxy-4-[3-(4-methylmorpholin-4-ium-4-yl)propylamino]anthracene-9,10-dione;methyl sulfate",C[N+]1(CCOCC1)CCCNC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O.COS(=O)(=O)[O-],"InChI=1S/C22H24N2O4.CH4O4S/c1-24(11-13-28-14-12-24)10-4-9-23-17-7-8-18(25)20-19(17)21(26)15-5-2-3-6-16(15)22(20)27;1-5-6(2,3)4/h2-3,5-8H,4,9-14H2,1H3,(H-,23,25,26,27);1H3,(H,2,3,4)",JAADWTSKUWWHLE-UHFFFAOYSA-N,C23H28N2O8S,492.5,492.156637,,150,680,0,2,9,5,34,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"4-Imidazolidinone, 1-chloro-2,2,5,5-tetramethyl-",38951-85-8,14774706,"1-chloro-2,2,5,5-tetramethylimidazolidin-4-one",CC1(C(=O)NC(N1Cl)(C)C)C,"InChI=1S/C7H13ClN2O/c1-6(2)5(11)9-7(3,4)10(6)8/h1-4H3,(H,9,11)",LCWLUUNLZNVFKH-UHFFFAOYSA-N,C7H13ClN2O,176.64,176.0716407,1,32.3,201,0,1,2,0,11,,,0,0,0,1,0,0,1,1,0,1,0,0,0,0,0,0,1,0,0,0
"beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-((4-hydroxy-3-methoxybenzoyl)oxy)-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1aS,1bS,2S,5aR,6S,6aS)-",39012-20-9,11944602,"[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 4-hydroxy-3-methoxybenzoate",COC1=C(C=CC(=C1)C(=O)O[C@H]2[C@@H]3C=CO[C@H]([C@@H]3[C@@]4([C@H]2O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O,"InChI=1S/C23H28O13/c1-31-12-6-9(2-3-11(12)26)20(30)34-18-10-4-5-32-21(14(10)23(8-25)19(18)36-23)35-22-17(29)16(28)15(27)13(7-24)33-22/h2-6,10,13-19,21-22,24-29H,7-8H2,1H3/t10-,13-,14-,15-,16+,17-,18+,19+,21+,22+,23-/m1/s1",AKNILCMFRRDTEY-NUGKWEEESA-N,C23H28O13,512.5,512.1529909,-1.4,197,839,0,6,13,8,36,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"beta-D-Glucopyranoside, (3-beta,12-beta)-3,12-dihydroxydammar-24-en-20-yl",39262-14-1,9852086,"(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C,"InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,44-31-30(42)29(41)28(40)23(19-37)43-31)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(39)32(3,4)24(33)12-17-34(25,35)6/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36-/m0/s1",FVIZARNDLVOMSU-IRFFNABBSA-N,C36H62O8,622.9,622.4444689,5.6,140,1070,0,6,8,7,44,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Thiazole, 2-amino-5-(p-nitrophenylsulfonyl)-",39565-05-4,1535,"5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-amine",C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CN=C(S2)N,"InChI=1S/C9H7N3O4S2/c10-9-11-5-8(17-9)18(15,16)7-3-1-6(2-4-7)12(13)14/h1-5H,(H2,10,11)",GKTKCGAOXFHFTD-UHFFFAOYSA-N,C9H7N3O4S2,285.3,284.9877981,1.6,155,409,0,1,7,2,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-phenoxymethyl-",39754-64-8,3033964,"6-(phenoxymethyl)-1,3-oxazinane-2-thione",C1CNC(=S)OC1COC2=CC=CC=C2,"InChI=1S/C11H13NO2S/c15-11-12-7-6-10(14-11)8-13-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,15)",NIPRGEWHJUTVQK-UHFFFAOYSA-N,C11H13NO2S,223.29,223.0666998,2.4,62.6,217,0,1,3,3,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester, monohydrochloride,(2S-(2-alpha,5-alpha,6-beta-(S*)))-",39878-70-1,71446,"(3-oxo-1H-2-benzofuran-1-yl) (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrochloride",CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)OC4C5=CC=CC=C5C(=O)O4)C.Cl,"InChI=1S/C24H23N3O6S.ClH/c1-24(2)17(22(31)33-23-14-11-7-6-10-13(14)21(30)32-23)27-19(29)16(20(27)34-24)26-18(28)15(25)12-8-4-3-5-9-12;/h3-11,15-17,20,23H,25H2,1-2H3,(H,26,28);1H/t15-,16-,17+,20-,23?;/m1./s1",PAZSYTCTHYSIAO-WVFSJLEKSA-N,C24H24ClN3O6S,518,517.1074344,,153,875,0,3,8,6,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"Indole-5,7-diol, 3-(2-aminoethyl)-, compd. with 2-amino-1,5-dihydro-1-methyl-4H-imidazol-4-one, sulfate, hydrate (1:1:1:2)",39929-27-6,135502808,"3-(2-aminoethyl)-1H-indole-5,7-diol;2-amino-3-methyl-1,4-dihydroimidazol-3-ium-5-one;hydrogen sulfate",C[N+]1=C(NC(=O)C1)N.C1=C(C=C(C2=C1C(=CN2)CCN)O)O.OS(=O)(=O)[O-],"InChI=1S/C10H12N2O2.C4H7N3O.H2O4S/c11-2-1-6-5-12-10-8(6)3-7(13)4-9(10)14;1-7-2-3(8)6-4(7)5;1-5(2,3)4/h3-5,12-14H,1-2,11H2;2H2,1H3,(H2,5,6,8);(H2,1,2,3,4)",BXYXUOWJXUUTQZ-UHFFFAOYSA-N,C14H21N5O7S,403.41,403.1161692,,226,437,0,7,8,2,27,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3H-1,2,3-Triazolo(4,5-b)pyridin-3-ol",39968-33-7,181649,"3-hydroxytriazolo[4,5-b]pyridine",C1=CC2=C(N=C1)N(N=N2)O,"InChI=1S/C5H4N4O/c10-9-5-4(7-8-9)2-1-3-6-5/h1-3,10H",FPIRBHDGWMWJEP-UHFFFAOYSA-N,C5H4N4O,136.11,136.0385108,0.5,63.8,131,0,1,4,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cycloocta(b)thiophene-3-carbonitrile, 2-amino-4,5,6,7,8,9-hexahydro-",40106-14-7,601417,"2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile",C1CCCC2=C(CC1)C(=C(S2)N)C#N,"InChI=1S/C11H14N2S/c12-7-9-8-5-3-1-2-4-6-10(8)14-11(9)13/h1-6,13H2",FFMNIWGELAUZIJ-UHFFFAOYSA-N,C11H14N2S,206.31,206.0877696,3.8,78.1,245,0,1,3,0,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"12,13-Epoxysenecionan-11,16-dione, (15Z)-19-Hydroxy-",40158-95-0,6442624,"(5R,9Z,12R,18R)-9-ethylidene-7-(hydroxymethyl)-5-methyl-3,6,11-trioxa-15-azatetracyclo[10.5.1.05,7.015,18]octadec-1(17)-ene-4,10-dione",C/C=C\1/CC2([C@@](O2)(C(=O)OCC3=CCN4[C@H]3[C@@H](CC4)OC1=O)C)CO,"InChI=1S/C18H23NO6/c1-3-11-8-18(10-20)17(2,25-18)16(22)23-9-12-4-6-19-7-5-13(14(12)19)24-15(11)21/h3-4,13-14,20H,5-10H2,1-2H3/b11-3-/t13-,14-,17+,18?/m1/s1",NOQVBHHOUTTZGE-AJDQYRSESA-N,C18H23NO6,349.4,349.1525375,-0.2,88.6,685,0,1,7,1,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Oxazoline, 2-(1-naphthylamino)-",40520-51-2,148380,"N-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-amine",C1COC(=N1)NC2=CC=CC3=CC=CC=C32,"InChI=1S/C13H12N2O/c1-2-6-11-10(4-1)5-3-7-12(11)15-13-14-8-9-16-13/h1-7H,8-9H2,(H,14,15)",FQEBDSGXTAANPO-UHFFFAOYSA-N,C13H12N2O,212.25,212.094963,2.4,33.6,277,0,1,2,2,16,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"beta-D-Galactopyranoside, (3-beta,5-beta,25S)-spirostan-3-yl 2-O-beta-D-glucopyranosyl-",41059-79-4,15953793,"(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C)OC1,"InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18-,19-,20+,21-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",MMTWXUQMLQGAPC-YXOKLLKRSA-N,C39H64O13,740.9,740.4346921,3.3,197,1270,0,7,13,6,52,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Hepten-3-one, 1,7-bis(3,4-dihydroxyphenyl)-, (4E)-",41137-87-5,637394,"(E)-1,7-bis(3,4-dihydroxyphenyl)hept-4-en-3-one",C1=CC(=C(C=C1CC/C=C/C(=O)CCC2=CC(=C(C=C2)O)O)O)O,"InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+",VWHYFMQKJYFLCC-DUXPYHPUSA-N,C19H20O5,328.4,328.1310737,3.1,98,422,0,4,5,7,24,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"as-Triazin-5(4H)-one, 4-amino-3-methyl-6-phenyl-",41394-05-2,38854,"4-amino-3-methyl-6-phenyl-1,2,4-triazin-5-one",CC1=NN=C(C(=O)N1N)C2=CC=CC=C2,"InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3",VHCNQEUWZYOAEV-UHFFFAOYSA-N,C10H10N4O,202.21,202.085461,0.7,71.1,328,0,1,4,1,15,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-(1,2,4)Oxadiazolo(4,3-a)quinoxalin-1-one",41443-28-1,1456,"[1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one",C1=CC=C2C(=C1)N=CC3=NOC(=O)N23,InChI=1S/C9H5N3O2/c13-9-12-7-4-2-1-3-6(7)10-5-8(12)11-14-9/h1-5H,LZMHWZHOZLVYDL-UHFFFAOYSA-N,C9H5N3O2,187.15,187.0381764,1.1,54.3,337,0,0,4,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenesulfonamide, N,N'-1,4-phenylenebis(4-methyl-",41595-29-3,98695,4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide,CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C,"InChI=1S/C20H20N2O4S2/c1-15-3-11-19(12-4-15)27(23,24)21-17-7-9-18(10-8-17)22-28(25,26)20-13-5-16(2)6-14-20/h3-14,21-22H,1-2H3",ZUNJCQVFMHRTTP-UHFFFAOYSA-N,C20H20N2O4S2,416.5,416.0864495,3.7,109,625,0,2,6,6,28,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Quinuclidinium, 1,2,2,6,6-pentamethyl-, iodide",41663-80-3,162046,"1,2,2,6,6-pentamethyl-1-azoniabicyclo[2.2.2]octane iodide",CC1(CC2CC[N+]1(C(C2)(C)C)C)C.[I-],"InChI=1S/C12H24N.HI/c1-11(2)8-10-6-7-13(11,5)12(3,4)9-10;/h10H,6-9H2,1-5H3;1H/q+1;/p-1",XFWGKJZCFAREHL-UHFFFAOYSA-M,C12H24IN,309.23,309.09535,,0,209,0,0,1,0,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 4-hydroxy-, (3R,3aS,4S,8aR)-1,2,3,3a,4,5,8,8a-octahydro-3-hydroxy-6,8a-dimethyl-3-(1-methylethyl)-4-azulenyl ester",41743-44-6,354654,"[(3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate",CC1=CC[C@]2(CC[C@]([C@@H]2[C@H](C1)OC(=O)C3=CC=C(C=C3)O)(C(C)C)O)C,"InChI=1S/C22H30O4/c1-14(2)22(25)12-11-21(4)10-9-15(3)13-18(19(21)22)26-20(24)16-5-7-17(23)8-6-16/h5-9,14,18-19,23,25H,10-13H2,1-4H3/t18-,19+,21-,22+/m0/s1",CYSHNJQMYORNJI-YUVXSKOASA-N,C22H30O4,358.5,358.2144094,4.5,66.8,560,0,2,4,4,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"beta-D-Galactopyranoside, (1-beta,3-beta,25R)-3-hydroxyspirost-5-en-1-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-6-deoxy-",41753-55-3,46173859,"(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol",C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5([C@@H](C[C@@H](C6)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1,"InChI=1S/C44H70O16/c1-18-9-12-44(54-16-18)19(2)30-28(60-44)15-26-24-8-7-22-13-23(45)14-29(43(22,6)25(24)10-11-42(26,30)5)57-41-38(59-40-36(52)34(50)31(47)20(3)55-40)37(32(48)21(4)56-41)58-39-35(51)33(49)27(46)17-53-39/h7,18-21,23-41,45-52H,8-17H2,1-6H3/t18-,19+,20+,21-,23-,24-,25+,26+,27-,28+,29-,30+,31+,32+,33+,34-,35-,36-,37+,38-,39+,40+,41+,42+,43+,44-/m1/s1",FHKHGNFKBPFJCB-LYLKFOBISA-N,C44H70O16,855,854.4663861,1,236,1590,0,8,16,6,60,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(((phenylamino)thioxomethyl)amino)-, ethyl ester",42076-12-0,988666,"ethyl 2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate",CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC=CC=C3,"InChI=1S/C18H20N2O2S2/c1-2-22-17(21)15-13-10-6-7-11-14(13)24-16(15)20-18(23)19-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H2,19,20,23)",LLGKQAVFOOLYNJ-UHFFFAOYSA-N,C18H20N2O2S2,360.5,360.0966202,5.1,111,454,0,2,4,5,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Isoindole-1,3(2H)-dione, 2-(tetrahydro-2-oxo-3-furanyl)-",42473-02-9,2783926,"2-(2-oxooxolan-3-yl)isoindole-1,3-dione",C1COC(=O)C1N2C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C12H9NO4/c14-10-7-3-1-2-4-8(7)11(15)13(10)9-5-6-17-12(9)16/h1-4,9H,5-6H2",HPJABVAESJDAES-UHFFFAOYSA-N,C12H9NO4,231.2,231.0531578,1,63.7,368,0,0,4,1,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, N-methyl-N'-(1-methyl-1-phenylethyl)-N-phenyl-",42609-73-4,92326,1-methyl-1-phenyl-3-(2-phenylpropan-2-yl)urea,CC(C)(C1=CC=CC=C1)NC(=O)N(C)C2=CC=CC=C2,"InChI=1S/C17H20N2O/c1-17(2,14-10-6-4-7-11-14)18-16(20)19(3)15-12-8-5-9-13-15/h4-13H,1-3H3,(H,18,20)",FMINYZXVCTYSNY-UHFFFAOYSA-N,C17H20N2O,268.35,268.1575633,3.2,32.3,315,0,1,1,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H,5H-Benzo(ij)quinolizine-2-carboxylic acid, 9-fluoro-6,7-dihydro-5-methyl-1-oxo-",42835-25-6,3374,"7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid",CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2)F)C(=O)O,"InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)",DPSPPJIUMHPXMA-UHFFFAOYSA-N,C14H12FNO3,261.25,261.0801214,2.9,57.6,462,0,1,5,1,19,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,1,0,0
"2-Propanol, 1-((3,4-dimethoxyphenethyl)amino)-3-(m-tolyloxy)-, monohydrochloride",42864-78-8,39324,"1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol;hydrochloride",CC1=CC(=CC=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O.Cl,"InChI=1S/C20H27NO4.ClH/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3;/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3;1H",FJTKCFSPYUMXJB-UHFFFAOYSA-N,C20H28ClNO4,381.9,381.1706861,,60,355,0,3,5,10,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrazolium, 1,2-dimethyl-3,5-diphenyl-, methyl sulfate",43222-48-6,39424,"1,2-dimethyl-3,5-diphenylpyrazol-2-ium;methyl sulfate",CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3.COS(=O)(=O)[O-],"InChI=1S/C17H17N2.CH4O4S/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15;1-5-6(2,3)4/h3-13H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1",XQEMNBNCQVQXMO-UHFFFAOYSA-M,C18H20N2O4S,360.4,360.1143783,,83.6,342,0,0,4,2,25,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Barbituric acid, 5-(p-methoxybenzylidene)-",49546-71-6,39492,"5-[(4-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione",COC1=CC=C(C=C1)C=C2C(=O)NC(=O)NC2=O,"InChI=1S/C12H10N2O4/c1-18-8-4-2-7(3-5-8)6-9-10(15)13-12(17)14-11(9)16/h2-6H,1H3,(H2,13,14,15,16,17)",IWKTUKNFSHWMNP-UHFFFAOYSA-N,C12H10N2O4,246.22,246.0640568,0.9,84.5,386,0,2,4,2,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester",50512-35-1,39681,"dipropan-2-yl 2-(1,3-dithiolan-2-ylidene)propanedioate",CC(C)OC(=O)C(=C1SCCS1)C(=O)OC(C)C,"InChI=1S/C12H18O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h7-8H,5-6H2,1-4H3",UFHLMYOGRXOCSL-UHFFFAOYSA-N,C12H18O4S2,290.4,290.0646514,3.3,103,329,0,0,6,6,18,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Coumarin, 4-morpholino-3-nitro-",50527-34-9,39688,4-morpholin-4-yl-3-nitrochromen-2-one,C1COCCN1C2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-],"InChI=1S/C13H12N2O5/c16-13-12(15(17)18)11(14-5-7-19-8-6-14)9-3-1-2-4-10(9)20-13/h1-4H,5-8H2",PYOMMFZCTIFHMA-UHFFFAOYSA-N,C13H12N2O5,276.24,276.0746215,1.4,84.6,450,0,0,6,1,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"beta-D-Glucopyranoside, (3-beta,25R)-spirost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-6-deoxy-alpha-L-mannopyranosyl-(1-4))-",50773-42-7,21603986,"(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol",C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)O)O)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)C)C)C)OC1,"InChI=1S/C51H82O20/c1-20-10-15-51(62-19-20)21(2)32-30(71-51)17-29-27-9-8-25-16-26(11-13-49(25,6)28(27)12-14-50(29,32)7)66-48-44(70-46-39(59)36(56)34(54)23(4)64-46)41(61)43(31(18-52)67-48)69-47-40(60)37(57)42(24(5)65-47)68-45-38(58)35(55)33(53)22(3)63-45/h8,20-24,26-48,52-61H,9-19H2,1-7H3/t20-,21+,22+,23+,24+,26+,27-,28+,29+,30+,31-,32+,33+,34+,35-,36-,37+,38-,39-,40-,41+,42+,43-,44-,45+,46+,47+,48-,49+,50+,51-/m1/s1",OZIHYFWYFUSXIS-HDDFSWBLSA-N,C51H82O20,1015.2,1014.539945,0.2,295,1900,0,10,20,9,71,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-16,17-(cyclopentylidenebis(oxy))-9-fluoro-11-hydroxy-, (11-beta,16-alpha)-",51022-69-6,443958,"[2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-9,13-dimethyl-16-oxospiro[5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-6,1'-cyclopentane]-8-yl]-2-oxoethyl] acetate",CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3CCC5=CC(=O)C=C[C@@]54C)F)O)C)OC6(O2)CCCC6,"InChI=1S/C28H35FO7/c1-16(30)34-15-22(33)28-23(35-26(36-28)9-4-5-10-26)13-20-19-7-6-17-12-18(31)8-11-24(17,2)27(19,29)21(32)14-25(20,28)3/h8,11-12,19-21,23,32H,4-7,9-10,13-15H2,1-3H3/t19-,20-,21-,23+,24-,25-,27-,28+/m0/s1",ILKJAFIWWBXGDU-MOGDOJJUSA-N,C28H35FO7,502.6,502.2366816,3.6,99.1,1090,0,1,8,4,36,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"3H-1,4-Benzodiazepin-2-amine, 7-chloro-N-methyl-N-nitroso-5-phenyl-, 4-oxide",51715-17-4,40094,"N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylnitrous amide",CN(C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3)N=O,"InChI=1S/C16H13ClN4O2/c1-20(19-22)15-10-21(23)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)18-15/h2-9H,10H2,1H3",VGNMVQBFGJATJZ-UHFFFAOYSA-N,C16H13ClN4O2,328.75,328.0727034,2.3,73.8,516,0,0,4,2,23,,,0,1,1,1,0,1,1,1,0,0,1,0,0,0,0,0,1,0,0,1
"Pyridine, 3-(1H-imidazol-4-yl)-",51746-85-1,3040177,3-(1H-imidazol-5-yl)pyridine,C1=CC(=CN=C1)C2=CN=CN2,"InChI=1S/C8H7N3/c1-2-7(4-9-3-1)8-5-10-6-11-8/h1-6H,(H,10,11)",YFOKBFRTGLSZLU-UHFFFAOYSA-N,C8H7N3,145.16,145.0639972,0.7,41.6,127,0,1,2,1,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiazolidine, 2-(2-furyl)-",51859-60-0,593153,"2-(furan-2-yl)-1,3-thiazolidine",C1CSC(N1)C2=CC=CO2,"InChI=1S/C7H9NOS/c1-2-6(9-4-1)7-8-3-5-10-7/h1-2,4,7-8H,3,5H2",HXQNTXBXKKMEFR-UHFFFAOYSA-N,C7H9NOS,155.22,155.0404851,0.9,50.5,120,0,1,3,1,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5-Piperazinedithione",52092-38-3,3004056,"piperazine-2,5-dithione",C1C(=S)NCC(=S)N1,"InChI=1S/C4H6N2S2/c7-3-1-5-4(8)2-6-3/h1-2H2,(H,5,8)(H,6,7)",WZZNXLLUTNONRL-UHFFFAOYSA-N,C4H6N2S2,146.2,145.9972406,-0.1,88.2,116,0,2,2,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Spiro(imidazolidine-4,2'(1'H)-naphthalene)-2,5-dione, 3',4'-dihydro-",52094-70-9,71726,"spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione",C1CC2(CC3=CC=CC=C31)C(=O)NC(=O)N2,"InChI=1S/C12H12N2O2/c15-10-12(14-11(16)13-10)6-5-8-3-1-2-4-9(8)7-12/h1-4H,5-7H2,(H2,13,14,15,16)",ZWYUGDUPLSGYSK-UHFFFAOYSA-N,C12H12N2O2,216.24,216.0898776,1.2,58.2,342,0,2,2,0,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Piperazinium, 4,4'-(3,17-dihydroxyandrostan-2,16-diyl)bis(1,1-dimethyl-, dibromide,diacetate",52212-02-9,65332,"[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate dibromide",CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CC[N+](CC4)(C)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)N6CC[N+](CC6)(C)C)C.[Br-].[Br-],"InChI=1S/C35H62N4O4.2BrH/c1-24(40)42-32-21-26-9-10-27-28(35(26,4)23-31(32)37-15-19-39(7,8)20-16-37)11-12-34(3)29(27)22-30(33(34)43-25(2)41)36-13-17-38(5,6)18-14-36;;/h26-33H,9-23H2,1-8H3;2*1H/q+2;;/p-2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-;;/m0../s1",TXWBOBJCRVVBJF-YTGGZNJNSA-L,C35H62Br2N4O4,762.7,762.31173,,59.1,1060,0,0,8,6,45,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Decane, 1,2:4,5:9,10-triepoxy-",52338-90-6,40323,2-(oxiran-2-ylmethyl)-3-[3-(oxiran-2-yl)propyl]oxirane,C1C(O1)CCCC2C(O2)CC3CO3,"InChI=1S/C10H16O3/c1(2-7-5-11-7)3-9-10(13-9)4-8-6-12-8/h7-10H,1-6H2",HMEICDIGPORGFI-UHFFFAOYSA-N,C10H16O3,184.23,184.1099444,0.8,37.6,195,0,0,3,6,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(2-phenylacetamido)-, ethyl ester",52535-69-0,40409,"ethyl 2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate",CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3=CC=CC=C3,"InChI=1S/C19H21NO3S/c1-2-23-19(22)17-14-10-6-7-11-15(14)24-18(17)20-16(21)12-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,20,21)",ANKZPSQIMCYPIC-UHFFFAOYSA-N,C19H21NO3S,343.4,343.1242147,4.7,83.6,450,0,1,4,6,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-((4-chlorobenzoyl)amino)-,ethyl ester",52535-71-4,984969,"ethyl 2-[(4-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate",CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)Cl,"InChI=1S/C18H18ClNO3S/c1-2-23-18(22)15-13-5-3-4-6-14(13)24-17(15)20-16(21)11-7-9-12(19)10-8-11/h7-10H,2-6H2,1H3,(H,20,21)",VEBJXARNPPZDKS-UHFFFAOYSA-N,C18H18ClNO3S,363.9,363.0695923,5.4,83.6,467,0,1,4,5,24,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Kaur-16-en-15-one, 7,20:14,20-diepoxy-1,6,7-trihydroxy-, (1-alpha,6-beta,7-alpha,14S,20S)-",52617-37-5,124223327,"(2S,5S,8R,9S,11S,13S,14S,15R,19S)-13,14,19-trihydroxy-16,16-dimethyl-6-methylidene-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-7-one",CC1(CC[C@@H](C23[C@@H]1[C@@H]([C@@]4([C@]56[C@H]2CC[C@H]([C@@H]5O[C@H]3O4)C(=C)C6=O)O)O)O)C,"InChI=1S/C20H26O6/c1-8-9-4-5-10-18-11(21)6-7-17(2,3)12(18)14(23)20(24)19(10,13(8)22)15(9)25-16(18)26-20/h9-12,14-16,21,23-24H,1,4-7H2,2-3H3/t9-,10-,11-,12+,14-,15-,16-,18?,19-,20+/m0/s1",WHRDRHNMTIXZNY-AMOJAPPFSA-N,C20H26O6,362.4,362.1729385,0.6,96.2,761,0,3,6,0,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Butanone, 4-(4-(4-chlorophenyl)-3,6-dihydro-1(2H)-pyridinyl)-1-(4-fluorophenyl)-",52669-92-8,171187,"4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)butan-1-one",C1CN(CC=C1C2=CC=C(C=C2)Cl)CCCC(=O)C3=CC=C(C=C3)F,"InChI=1S/C21H21ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-11H,1-2,12-15H2",ZNOLNAPJKOYTHY-UHFFFAOYSA-N,C21H21ClFNO,357.8,357.1295701,4.5,20.3,465,0,0,3,6,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,1,0,1
"beta-D-Glucopyranoside, (3-beta,12-beta)-20-(beta-D-glucopyranosyloxy)-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-",52705-93-8,11679800,"(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C,"InChI=1S/C48H82O18/c1-22(2)10-9-14-48(8,66-42-39(60)36(57)33(54)26(20-50)62-42)23-11-16-47(7)31(23)24(52)18-29-45(5)15-13-30(44(3,4)28(45)12-17-46(29,47)6)64-43-40(37(58)34(55)27(21-51)63-43)65-41-38(59)35(56)32(53)25(19-49)61-41/h10,23-43,49-60H,9,11-21H2,1-8H3/t23-,24+,25+,26+,27+,28-,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41-,42-,43-,45-,46+,47+,48-/m0/s1",RLDVZILFNVRJTL-IWFVLDDISA-N,C48H82O18,947.2,946.5501158,2.4,298,1680,0,12,18,13,66,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,4-Oxadiazolidine-2-propanoic acid, alpha-amino-3,5-dioxo-, (alpha-S)-",52809-07-1,40539,"(2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid",C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1,"InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1",ASNFTDCKZKHJSW-REOHCLBHSA-N,C5H7N3O5,189.13,189.0385703,-3.9,122,265,0,3,6,3,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Thiophene, 3,4-dichloro-, 1,1-dioxide",52819-14-4,3040679,"3,4-dichlorothiophene 1,1-dioxide",C1=C(C(=CS1(=O)=O)Cl)Cl,"InChI=1S/C4H2Cl2O2S/c5-3-1-9(7,8)2-4(3)6/h1-2H",CIDAIMONSYOOGS-UHFFFAOYSA-N,C4H2Cl2O2S,185.03,183.9152559,0.9,42.5,256,0,0,2,0,9,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-Naphtho(2,3-c)pyran-3-acetic acid, 3,4,5,10-tetrahydro-9-hydroxy-1-methyl-5,10-dioxo-,(1S-E)-",52934-83-5,442757,"2-[(1S,3R)-9-hydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid",C[C@H]1C2=C(C[C@@H](O1)CC(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)O,"InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m0/s1",ZCJHPTKRISJQTN-JGVFFNPUSA-N,C16H14O6,302.28,302.0790382,1.3,101,563,0,2,6,2,22,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2(1H)-Pyridone, 5-methyl-1-phenyl-",53179-13-8,40632,5-methyl-1-phenylpyridin-2-one,CC1=CN(C(=O)C=C1)C2=CC=CC=C2,"InChI=1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3",ISWRGOKTTBVCFA-UHFFFAOYSA-N,C12H11NO,185.22,185.084064,1.9,20.3,285,0,0,1,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Morpholinium, 4-(2-bromo-4,5-dimethoxy)benzyl-4-(2-(2-(6,6-dimethyl-2-norpinyl)ethoxy)ethyl)-, bromide",53251-94-8,40703,"4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholin-4-ium bromide",CC1(C2CCC(C1C2)CCOCC[N+]3(CCOCC3)CC4=CC(=C(C=C4Br)OC)OC)C.[Br-],"InChI=1S/C26H41BrNO4.BrH/c1-26(2)21-6-5-19(22(26)16-21)7-11-31-12-8-28(9-13-32-14-10-28)18-20-15-24(29-3)25(30-4)17-23(20)27;/h15,17,19,21-22H,5-14,16,18H2,1-4H3;1H/q+1;/p-1",IKGXLCMLVINENI-UHFFFAOYSA-M,C26H41Br2NO4,591.4,591.13818,,36.9,596,0,0,5,10,33,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,4-Triazolo(4,3-a)pyridine-2(3H)-propanoic acid, 3-oxo-",53304-46-4,198292,"3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid",C1=CC2=NN(C(=O)N2C=C1)CCC(=O)O,"InChI=1S/C9H9N3O3/c13-8(14)4-6-12-9(15)11-5-2-1-3-7(11)10-12/h1-3,5H,4,6H2,(H,13,14)",DXVGDKXFBVHCCE-UHFFFAOYSA-N,C9H9N3O3,207.19,207.0643912,-0.3,73.2,397,0,1,4,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-",53454-43-6,96471,"3,5-dihydro-2H-1,5-benzothiazepin-4-one",C1CSC2=CC=CC=C2NC1=O,"InChI=1S/C9H9NOS/c11-9-5-6-12-8-4-2-1-3-7(8)10-9/h1-4H,5-6H2,(H,10,11)",VNUDPFLTWOKTKQ-UHFFFAOYSA-N,C9H9NOS,179.24,179.0404851,1.3,54.4,183,0,1,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(11)Cytochalasa-6(12),13,19-trien-1-one, 21-(acetyloxy)-7,18-dihydroxy-16,18-dimethyl-10-phenyl-, (7S,13E,16S,18S,19E,21R)-",53760-19-3,13892272,"[(1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate",C[C@H]1C/C=C/[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2([C@@H](/C=C/[C@](C1)(C)O)OC(=O)C)C(=O)N[C@H]3CC4=CC=CC=C4)C)O,"InChI=1S/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9+,15-14+/t18-,19+,23-,24-,25+,26-,27+,29-,30+/m0/s1",NAEWXXDGBKTIMN-OWTACEMYSA-N,C30H39NO5,493.6,493.2828233,3.4,95.9,920,0,3,5,4,36,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Benzamide, 4-(acetyloxy)-N-(2,4-dibromo-6-((cyclohexylmethylamino)methyl)phenyl)-3-methoxy-,monohydrochloride",54340-60-2,20055430,"[4-[[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]-2-methoxyphenyl] acetate;hydrochloride",CC(=O)OC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2Br)Br)CN(C)C3CCCCC3)OC.Cl,"InChI=1S/C24H28Br2N2O4.ClH/c1-15(29)32-21-10-9-16(12-22(21)31-3)24(30)27-23-17(11-18(25)13-20(23)26)14-28(2)19-7-5-4-6-8-19;/h9-13,19H,4-8,14H2,1-3H3,(H,27,30);1H",GOPILTWRTSSNPV-UHFFFAOYSA-N,C24H29Br2ClN2O4,604.8,604.01621,,67.9,631,0,2,5,8,33,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-4a-beta,7b-alpha,9a-alpha-trihydroxy-3-(hydroxymethyl)-1,1,6,8-alpha-tetramethyl-, 3-acetate 9a-phenylacetate",54662-30-5,3034821,"[(1R,2S,6R,10S,11R,13S,15R)-8-(acetyloxymethyl)-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-phenylacetate",C[C@@H]1C[C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)COC(=O)C)O)C)O)OC(=O)CC5=CC=CC=C5,"InChI=1S/C30H36O7/c1-17-11-23-28(34,26(17)33)15-21(16-36-19(3)31)12-22-25-27(4,5)29(25,14-18(2)30(22,23)35)37-24(32)13-20-9-7-6-8-10-20/h6-12,18,22-23,25,34-35H,13-16H2,1-5H3/t18-,22+,23-,25-,28-,29+,30-/m1/s1",MEDVHSNRBPAIPU-XMOZQXTISA-N,C30H36O7,508.6,508.2461035,2.9,110,1070,0,2,7,7,37,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-Naphthoquinone, 2,3,4a,5,8,8a-hexahydro-",54963-84-7,41258,"2,3,4a,5,8,8a-hexahydronaphthalene-1,4-dione",C1CC(=O)C2CC=CCC2C1=O,"InChI=1S/C10H12O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-2,7-8H,3-6H2",NMUVKWGLYGWFCC-UHFFFAOYSA-N,C10H12O2,164.2,164.0837296,0.6,34.1,227,0,0,2,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"1H-1,2,4-Triazole-1-ethanol, beta-((1,1'-biphenyl)-4-yloxy)-alpha-(1,1-dimethylethyl)-",55179-31-2,91656,"3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol",CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3)O,"InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3",VGPIBGGRCVEHQZ-UHFFFAOYSA-N,C20H23N3O2,337.4,337.179027,4.2,60.2,398,0,1,4,6,25,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-Pyrazino(2,1-a)isoquinolin-4-one, 2-(cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-",55268-74-1,4891,"2-(cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one",C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2,"InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2",FSVJFNAIGNNGKK-UHFFFAOYSA-N,C19H24N2O2,312.4,312.183778,2.7,40.6,472,0,0,2,1,23,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Dibenz(b,e)oxepin-2-acetic acid, 6,11-dihydro-11-oxo-",55453-87-7,41448,2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid,C1C2=CC=CC=C2C(=O)C3=C(O1)C=CC(=C3)CC(=O)O,"InChI=1S/C16H12O4/c17-15(18)8-10-5-6-14-13(7-10)16(19)12-4-2-1-3-11(12)9-20-14/h1-7H,8-9H2,(H,17,18)",QFGMXJOBTNZHEL-UHFFFAOYSA-N,C16H12O4,268.26,268.0735589,2.4,63.6,392,0,1,4,2,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,1
"alpha-L-Arabinopyranoside, (3-beta,16-beta,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(O-beta-D-glucopyranosyl-(1-6)-O-(beta-D-xylopyranosyl-(1-2))-beta-D-glucopyranosyl-(1-3))-",55466-04-1,51346169,"(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18R,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol",C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@@]4([C@H]5CC[C@@H]6[C@H]7[C@@](C[C@@H](O[C@@]78C[C@]6([C@@]5(CC[C@H]4C3(C)C)C)CO8)C=C(C)C)(C)O)C)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)O,"InChI=1S/C58H94O26/c1-23(2)15-25-16-56(8,72)47-26-9-10-32-54(6)13-12-33(53(4,5)31(54)11-14-55(32,7)57(26)21-58(47,84-25)76-22-57)80-51-46(83-50-43(71)38(66)34(62)24(3)77-50)44(28(61)19-74-51)81-52-45(82-49-41(69)35(63)27(60)18-73-49)40(68)37(65)30(79-52)20-75-48-42(70)39(67)36(64)29(17-59)78-48/h15,24-52,59-72H,9-14,16-22H2,1-8H3/t24-,25-,26+,27+,28-,29+,30+,31-,32+,33-,34-,35-,36+,37+,38+,39-,40-,41+,42+,43+,44-,45+,46+,47-,48+,49-,50-,51-,52-,54-,55+,56-,57-,58-/m0/s1",KVKRFLVYJLIZFD-OQVAHBRNSA-N,C58H94O26,1207.3,1206.603333,-1.6,394,2330,0,14,26,13,84,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-Naphtho(1,2-b)pyran-5-carboxylic acid, 6-hydroxy-2,2-dimethyl-, methyl ester",55481-88-4,124219,"methyl 6-hydroxy-2,2-dimethylbenzo[h]chromene-5-carboxylate",CC1(C=CC2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)C,"InChI=1S/C17H16O4/c1-17(2)9-8-12-13(16(19)20-3)14(18)10-6-4-5-7-11(10)15(12)21-17/h4-9,18H,1-3H3",VLGATXOTCNBWIT-UHFFFAOYSA-N,C17H16O4,284.31,284.104859,4.1,55.8,442,0,1,4,2,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbonothioic acid, O-(6-chloro-3-phenyl-4-pyridazinyl) S-octyl ester",55512-33-9,41463,(6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate,CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl,"InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3",JTZCTMAVMHRNTR-UHFFFAOYSA-N,C19H23ClN2O2S,378.9,378.1168768,6.6,77.4,380,0,0,5,11,25,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,1,1,0,0
"Cyclohexanecarboxylic acid, 3-(1-(allyloxyamino)butylidene)-6,6-dimethyl-2,4-dioxo-,methyl ester, sodium salt",55635-13-7,74087703,"sodium methyl 2,2-dimethyl-4,6-dioxo-5-(N-prop-2-enoxy-C-propylcarbonimidoyl)cyclohexane-1-carboxylate",CCCC(=NOCC=C)[C-]1C(=O)CC(C(C1=O)C(=O)OC)(C)C.[Na+],"InChI=1S/C17H24NO5.Na/c1-6-8-11(18-23-9-7-2)13-12(19)10-17(3,4)14(15(13)20)16(21)22-5;/h7,14H,2,6,8-10H2,1,3-5H3;/q-1;+1",DVQHRBFGRZHMSR-UHFFFAOYSA-N,C17H24NNaO5,345.4,345.1552172,,82,527,0,0,7,8,24,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Altertoxin I,56258-32-3,104860,"(12S,12aS,12bR)-4,9,12,12b-tetrahydroxy-2,11,12,12a-tetrahydro-1H-perylene-3,10-dione",C1C[C@]2([C@@H]3[C@H](CC(=O)C4=C(C=CC(=C34)C5=C2C(=C(C=C5)O)C1=O)O)O)O,"InChI=1S/C20H16O6/c21-10-3-1-8-9-2-4-11(22)17-12(23)5-6-20(26,18(9)17)19-14(25)7-13(24)16(10)15(8)19/h1-4,14,19,21-22,25-26H,5-7H2/t14-,19+,20-/m0/s1",GJIALGLHOBXNAT-KPOBHBOGSA-N,C20H16O6,352.3,352.0946882,1.4,115,648,0,4,6,0,26,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ormosanine, 16,17-didehydro-9-de-2-piperidinyl-, (7-alpha,9-alpha)-",56293-29-9,162147,"(1R,2S,9R,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene",C1CCN2C[C@H]3C[C@@H]([C@H]2C1)C=C4[C@H]3NCCC4,"InChI=1S/C15H24N2/c1-2-7-17-10-13-9-12(14(17)5-1)8-11-4-3-6-16-15(11)13/h8,12-16H,1-7,9-10H2/t12-,13+,14+,15+/m0/s1",SKOLRLSBMUGVOY-GBJTYRQASA-N,C15H24N2,232.36,232.1939488,1.6,15.3,336,0,1,2,0,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propenoic acid, 2-cyano-3-(1-phenyl-1H-indol-3-yl)-",56396-35-1,6438504,(E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid,C1=CC=C(C=C1)N2C=C(C3=CC=CC=C32)/C=C(\C#N)/C(=O)O,"InChI=1S/C18H12N2O2/c19-11-13(18(21)22)10-14-12-20(15-6-2-1-3-7-15)17-9-5-4-8-16(14)17/h1-10,12H,(H,21,22)/b13-10+",BIZNHCWFGNKBBZ-JLHYYAGUSA-N,C18H12N2O2,288.3,288.0898776,3.5,66,498,0,1,3,3,22,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Dioxolone, 4,4'-(oxybis(methylene))bis-",56552-15-9,162155,"4-(1,3-dioxolan-4-ylmethoxymethyl)-1,3-dioxolane",C1C(OCO1)COCC2COCO2,"InChI=1S/C8H14O5/c1(7-3-10-5-12-7)9-2-8-4-11-6-13-8/h7-8H,1-6H2",GBTVFZDADUZIIQ-UHFFFAOYSA-N,C8H14O5,190.19,190.0841235,-0.6,46.2,135,0,0,5,4,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,4-Thiadiazole, 2-amino-5-cyclohexyl-",56882-77-0,732629,"5-cyclohexyl-1,3,4-thiadiazol-2-amine",C1CCC(CC1)C2=NN=C(S2)N,"InChI=1S/C8H13N3S/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h6H,1-5H2,(H2,9,11)",BLBDGPFJLDEFFL-UHFFFAOYSA-N,C8H13N3S,183.28,183.0830186,2.2,80,147,0,1,4,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperidine, 1-((4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolyl)carbonyl)-",57036-89-2,866378,"(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone",C1CCN(CC1)C(=O)C2=C(N(C(=S)S2)C3=CC=CC=C3)N,"InChI=1S/C15H17N3OS2/c16-13-12(14(19)17-9-5-2-6-10-17)21-15(20)18(13)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,16H2",FFZVWPDQPLTXDJ-UHFFFAOYSA-N,C15H17N3OS2,319.4,319.0813045,3.2,107,466,0,1,4,2,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Imidazolium, 1-(bis(4-chlorophenyl)methyl)-3-(2-(2,4-dichlorophenyl)-2-((2,4-dichlorophenyl)methoxy)ethyl)-, chloride",57265-65-3,644274,"1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-3-ium chloride",C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)N3C=C[N+](=C3)CC(C4=C(C=C(C=C4)Cl)Cl)OCC5=C(C=C(C=C5)Cl)Cl)Cl.[Cl-],"InChI=1S/C31H23Cl6N2O.ClH/c32-23-6-1-20(2-7-23)31(21-3-8-24(33)9-4-21)39-14-13-38(19-39)17-30(27-12-11-26(35)16-29(27)37)40-18-22-5-10-25(34)15-28(22)36;/h1-16,19,30-31H,17-18H2;1H/q+1;/p-1",YGEIMSMISRCBFF-UHFFFAOYSA-M,C31H23Cl7N2O,687.7,685.960057,,18,742,0,0,2,9,41,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-1,2,4-Triazole, 3-(4-chlorophenyl)-4-methyl-5-(methylthio)-",57295-58-6,3044469,"3-(4-chlorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole",CN1C(=NN=C1SC)C2=CC=C(C=C2)Cl,"InChI=1S/C10H10ClN3S/c1-14-9(12-13-10(14)15-2)7-3-5-8(11)6-4-7/h3-6H,1-2H3",CFPVKCWDDDIQRT-UHFFFAOYSA-N,C10H10ClN3S,239.73,239.0283962,2.6,56,209,0,0,3,2,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperazine, 1-cyclohexyl-4-(1,2-diphenylethyl)-, dihydrochloride, (+-)-",57314-55-3,3044473,"1-cyclohexyl-4-(1,2-diphenylethyl)piperazine;dihydrochloride",C1CCC(CC1)N2CCN(CC2)C(CC3=CC=CC=C3)C4=CC=CC=C4.Cl.Cl,"InChI=1S/C24H32N2.2ClH/c1-4-10-21(11-5-1)20-24(22-12-6-2-7-13-22)26-18-16-25(17-19-26)23-14-8-3-9-15-23;;/h1-2,4-7,10-13,23-24H,3,8-9,14-20H2;2*1H",PDTBWROWBIVSFO-UHFFFAOYSA-N,C24H34Cl2N2,421.4,420.2099045,,6.5,383,0,2,2,5,28,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Benzimidazole-2-acetonitrile, alpha-(phenylmethylene)-",57319-66-1,5463326,(E)-2-(1H-benzimidazol-2-yl)-3-phenylprop-2-enenitrile,C1=CC=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2,"InChI=1S/C16H11N3/c17-11-13(10-12-6-2-1-3-7-12)16-18-14-8-4-5-9-15(14)19-16/h1-10H,(H,18,19)/b13-10+",YASZPDZHYPEICO-JLHYYAGUSA-N,C16H11N3,245.28,245.0952974,3.4,52.5,386,0,1,2,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-Pyrrolo(3,2,1-ij)quinolin-4-one, 1,2,5,6-tetrahydro-",57369-32-1,91665,"1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one",C1CC(=O)N2CCC3=CC=CC1=C32,"InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2",XRJLAOUDSILTFT-UHFFFAOYSA-N,C11H11NO,173.21,173.084064,1.6,20.3,238,0,0,1,0,13,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with N-((4-methoxyphenyl)methyl)-N',N'-dimethyl-N-2-pyridinyl-1,2-ethanediamine (1:1)",57383-74-1,162821,"2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine",CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O.CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2,"InChI=1S/C17H23N3O.C9H10N4O4/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4-11H,12-14H2,1-3H3;4H,3H2,1-2H3,(H,14,15)",TXBZJCTVHPHWPH-UHFFFAOYSA-N,C26H33N7O5,523.6,523.2543172,,124,662,0,1,9,9,38,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Alanine, N-(2-furoyl)-N-(2,6-xylyl)-, methyl ester, DL-",57646-30-7,42504,"methyl 2-[N-(furan-2-carbonyl)-2,6-dimethylanilino]propanoate",CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)C2=CC=CO2,"InChI=1S/C17H19NO4/c1-11-7-5-8-12(2)15(11)18(13(3)17(20)21-4)16(19)14-9-6-10-22-14/h5-10,13H,1-4H3",CIEXPHRYOLIQQD-UHFFFAOYSA-N,C17H19NO4,301.34,301.1314081,2.6,59.8,401,0,0,4,5,22,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"7H-2,9b-Epoxyazuleno(5,4-e)-1,3-benzodioxol-5-methanol, 3a,3b,6,6a,9a,10,11,11a-octahydro-6a-hydroxy-8,10-dimethyl-11a-(1-methylethenyl)-7-oxo-2-(phenylmethyl)-, (2S,3aR,3bS,6aR,9aS,9bR,10R,11aR)-",57852-42-3,5490349,"(1R,2R,6R,10S,11R,13S,15R,17R)-13-benzyl-6-hydroxy-8-(hydroxymethyl)-4,17-dimethyl-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-5-one",C[C@@H]1C[C@]2([C@H]3[C@H]4[C@]1([C@@H]5C=C(C(=O)[C@]5(CC(=C4)CO)O)C)O[C@](O3)(O2)CC6=CC=CC=C6)C(=C)C,"InChI=1S/C28H32O6/c1-16(2)26-12-18(4)28-21(11-20(15-29)13-25(31)22(28)10-17(3)23(25)30)24(26)32-27(33-26,34-28)14-19-8-6-5-7-9-19/h5-11,18,21-22,24,29,31H,1,12-15H2,2-4H3/t18-,21+,22-,24-,25-,26-,27-,28-/m1/s1",FFKXTXJQZGIKQZ-WAGMVDSNSA-N,C28H32O6,464.5,464.2198887,2.7,85.2,993,0,2,6,4,34,,,0,1,1,1,0,1,0,0,0,0,1,0,0,0,0,0,1,0,0,0
"Benzene, 1,1'-tellurinylbis(4-methoxy-",57857-70-2,3044917,1-methoxy-4-(4-methoxyphenyl)tellurinylbenzene,COC1=CC=C(C=C1)[Te](=O)C2=CC=C(C=C2)OC,"InChI=1S/C14H14O3Te/c1-16-11-3-7-13(8-4-11)18(15)14-9-5-12(17-2)6-10-14/h3-10H,1-2H3",UVDGYXYOEDJRFV-UHFFFAOYSA-N,C14H14O3Te,357.9,360.000517,,35.5,240,0,0,3,4,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Quinoline, 2-(2-(4-(3-methylphenyl)-1-piperazinyl)ethyl)-",57961-90-7,162163,2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]quinoline,CC1=CC(=CC=C1)N2CCN(CC2)CCC3=NC4=CC=CC=C4C=C3,"InChI=1S/C22H25N3/c1-18-5-4-7-21(17-18)25-15-13-24(14-16-25)12-11-20-10-9-19-6-2-3-8-22(19)23-20/h2-10,17H,11-16H2,1H3",UJNWGFBJUHIJKK-UHFFFAOYSA-N,C22H25N3,331.5,331.2048478,4.5,19.4,404,0,0,3,4,25,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Methanone, (2,4-dichlorophenyl)(1,3-dimethyl-5-(((4-methylphenyl)sulfonyl)oxy)-1H-pyrazol-4-yl)-",58011-68-0,42619,"[4-(2,4-dichlorobenzoyl)-1,3-dimethylpyrazol-5-yl] 4-methylbenzenesulfonate",CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=NN2C)C)C(=O)C3=C(C=C(C=C3)Cl)Cl,"InChI=1S/C19H16Cl2N2O4S/c1-11-4-7-14(8-5-11)28(25,26)27-19-17(12(2)22-23(19)3)18(24)15-9-6-13(20)10-16(15)21/h4-10H,1-3H3",ASRAWSBMDXVNLX-UHFFFAOYSA-N,C19H16Cl2N2O4S,439.3,438.0207836,3.8,86.6,663,0,0,5,5,28,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(4,4'-Bithiazole)-2,2'-diamine",58139-59-6,42654,"4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-amine",C1=C(N=C(S1)N)C2=CSC(=N2)N,"InChI=1S/C6H6N4S2/c7-5-9-3(1-11-5)4-2-12-6(8)10-4/h1-2H,(H2,7,9)(H2,8,10)",MRFMTBTUKQIBDI-UHFFFAOYSA-N,C6H6N4S2,198.3,198.0033886,1,134,150,0,2,6,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Olean-12-en-28-oic acid, 3-(beta-D-glucopyranosyloxy)-2,16,23,24-tetrahydroxy-, O-D-apio-beta-D-furanosyl-(1-3)-O-beta-D-xylopyranosyl-(1-4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-L-arabinopyranosyl ester, (2-beta,3-beta,16-alpha)-",58479-68-8,162859,"[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate",C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@H]6[C@]([C@@]5(C[C@H]4O)C)(CC[C@@H]7[C@@]6(C[C@@H]([C@@H](C7(CO)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)(C)C)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O[C@H]1[C@@H]([C@](CO1)(CO)O)O)O,"InChI=1S/C57H92O28/c1-23-40(81-45-39(72)41(28(64)18-76-45)82-49-43(73)56(75,21-61)22-78-49)36(69)38(71)46(79-23)83-42-33(66)27(63)17-77-48(42)85-50(74)57-12-11-51(2,3)13-25(57)24-7-8-30-52(4)14-26(62)44(84-47-37(70)35(68)34(67)29(16-58)80-47)55(19-59,20-60)31(52)9-10-53(30,5)54(24,6)15-32(57)65/h7,23,25-49,58-73,75H,8-22H2,1-6H3/t23-,25-,26-,27-,28+,29+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39+,40-,41-,42+,43-,44-,45-,46-,47-,48-,49-,52+,53+,54+,56+,57+/m0/s1",CYBWUNOAQPMRBA-NDTOZIJESA-N,C57H92O28,1225.3,1224.577512,-3.7,453,2380,0,17,28,15,85,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"19-Norlanost-5-ene-11,22-dione, 25-(acetyloxy)-2,3,16,20-tetrahydroxy-9-methyl-, (2-beta,3-alpha,9-beta,16-alpha,20R)-",58546-34-2,181183,"[(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,8S,9R,10R,13R,14S,16R,17R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate",CC(=O)OC(C)(C)CCC(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H]([C@H](C4(C)C)O)O)C)C)C)O)O,"InChI=1S/C32H50O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,19-22,25-26,34-35,38-39H,11-16H2,1-9H3/t19-,20+,21-,22+,25+,26-,29+,30-,31+,32+/m1/s1",LKYNAQSYQLFTCM-GYXNDICUSA-N,C32H50O8,562.7,562.3505686,2.6,141,1120,0,4,8,7,40,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-6-ol, 5,6,7,8-tetrahydro-6,7-dimethyl-1,2,3,13-tetramethoxy-, stereoisomer",58546-54-6,15608605,"(9R,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-9-ol",C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C[C@@]1(C)O)OC)OC)OC)OC)OCO3,"InChI=1S/C23H28O7/c1-12-7-13-8-16-20(30-11-29-16)22(28-6)17(13)18-14(10-23(12,2)24)9-15(25-3)19(26-4)21(18)27-5/h8-9,12,24H,7,10-11H2,1-6H3/t12-,23+/m0/s1",ZWRRJEICIPUPHZ-DAOPMYJZSA-N,C23H28O7,416.5,416.1835032,3.9,75.6,588,0,1,7,4,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopropanecarboxylic acid, 3-((dihydro-2-oxo-3(2H)-thienylidene)methyl)-2,2-dimethyl-,(5-(phenylmethyl)-3-furanyl)methyl ester, (1R-(1-alpha,3-alpha(E)))-",58769-20-3,12940701,"trans-(5-benzylfuran-3-yl)methyl (1R,3S)-2,2-dimethyl-3-[(E)-(2-oxothiolan-3-ylidene)methyl]cyclopropane-1-carboxylate",CC1([C@H]([C@H]1C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)/C=C/4\CCSC4=O)C,"InChI=1S/C23H24O4S/c1-23(2)19(12-17-8-9-28-22(17)25)20(23)21(24)27-14-16-11-18(26-13-16)10-15-6-4-3-5-7-15/h3-7,11-13,19-20H,8-10,14H2,1-2H3/b17-12+/t19-,20-/m0/s1",UGWALRUNBSBTGI-ZKMZRDRYSA-N,C23H24O4S,396.5,396.1395304,5.4,81.8,635,0,0,5,7,28,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetanilide, 2-chloro-2',6'-dimethyl-N-(2-oxotetrahydro-3-furyl)-",58810-48-3,42850,"2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide",CC1=C(C(=CC=C1)C)N(C2CCOC2=O)C(=O)CCl,"InChI=1S/C14H16ClNO3/c1-9-4-3-5-10(2)13(9)16(12(17)8-15)11-6-7-19-14(11)18/h3-5,11H,6-8H2,1-2H3",OWDLFBLNMPCXSD-UHFFFAOYSA-N,C14H16ClNO3,281.73,281.0818711,2.7,46.6,351,0,0,3,3,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-Piperidinecarboximidamide, 4-(phenylmethyl)-, sulfate (2:1)",59084-01-4,3042126,bis(4-benzylpiperidine-1-carboximidamide);sulfuric acid,C1CN(CCC1CC2=CC=CC=C2)C(=N)N.C1CN(CCC1CC2=CC=CC=C2)C(=N)N.OS(=O)(=O)O,"InChI=1S/2C13H19N3.H2O4S/c2*14-13(15)16-8-6-12(7-9-16)10-11-4-2-1-3-5-11;1-5(2,3)4/h2*1-5,12H,6-10H2,(H3,14,15);(H2,1,2,3,4)",RLRRQNSHDAKBCQ-UHFFFAOYSA-N,C26H40N6O4S,532.7,532.283175,,189,307,0,6,6,6,37,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 4-chloro-3-(1-pyrrolidinylsulfonyl)-",59210-73-0,1070198,4-chloro-3-pyrrolidin-1-ylsulfonylbenzoic acid,C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl,"InChI=1S/C11H12ClNO4S/c12-9-4-3-8(11(14)15)7-10(9)18(16,17)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,14,15)",VKDGPXAVGXQODU-UHFFFAOYSA-N,C11H12ClNO4S,289.74,289.0175567,1.7,83.1,413,0,1,5,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Benzotriazole-5-carboxamide, 6-methoxy-N-((1-(2-propenyl)-2-pyrrolidinyl)methyl)-",59338-93-1,135413504,6-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]-3H-benzotriazole-5-carboxamide,COC1=CC2=C(C=C1C(=O)NCC3CCCN3CC=C)NN=N2,"InChI=1S/C16H21N5O2/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20)",KSEYRUGYKHXGFW-UHFFFAOYSA-N,C16H21N5O2,315.37,315.1695249,1.6,83.1,433,0,2,5,6,23,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"beta-D-Allofuranuronic acid, 5-((2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl)amino)-1,5-dideoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-,(2S-(2R*,3R*,4R*))-",59456-70-1,456557,"(2S)-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid",C[C@H]([C@@H](C1=NC=C(C=C1)O)O)[C@@H](C(=O)N[C@@H]([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)N,"InChI=1S/C20H25N5O10/c1-7(13(28)9-3-2-8(26)6-22-9)11(21)17(31)24-12(19(32)33)16-14(29)15(30)18(35-16)25-5-4-10(27)23-20(25)34/h2-7,11-16,18,26,28-30H,21H2,1H3,(H,24,31)(H,32,33)(H,23,27,34)/t7-,11-,12-,13-,14-,15+,16+,18+/m0/s1",WWJFFVUVFNBJTN-VHDFTHOZSA-N,C20H25N5O10,495.4,495.160142,-5.6,245,871,0,8,12,8,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Tetrazolo(1,5-a)quinoxaline, 4-chloro-",59866-06-7,313636,"4-chlorotetrazolo[1,5-a]quinoxaline",C1=CC=C2C(=C1)N=C(C3=NN=NN23)Cl,InChI=1S/C8H4ClN5/c9-7-8-11-12-13-14(8)6-4-2-1-3-5(6)10-7/h1-4H,KOWYBYDSUFDMGG-UHFFFAOYSA-N,C8H4ClN5,205.6,205.0155228,1.6,56,226,0,0,4,0,14,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Benzimidazolinone, 1-(1-benzyl-1,2,3,6-tetrahydro-4-pyridyl)-",60373-71-9,96482,"3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazol-2-one",C1CN(CC=C1N2C3=CC=CC=C3NC2=O)CC4=CC=CC=C4,"InChI=1S/C19H19N3O/c23-19-20-17-8-4-5-9-18(17)22(19)16-10-12-21(13-11-16)14-15-6-2-1-3-7-15/h1-10H,11-14H2,(H,20,23)",FKCKAEJWXGMCFZ-UHFFFAOYSA-N,C19H19N3O,305.4,305.1528122,3.2,35.6,469,0,1,2,3,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2(1H)-Pyrimidinethione, 4-phenyl-",60414-59-7,2305657,6-phenyl-1H-pyrimidine-2-thione,C1=CC=C(C=C1)C2=CC=NC(=S)N2,"InChI=1S/C10H8N2S/c13-10-11-7-6-9(12-10)8-4-2-1-3-5-8/h1-7H,(H,11,12,13)",SXIMWFPBGWZKAV-UHFFFAOYSA-N,C10H8N2S,188.25,188.0408194,1.5,56.5,262,0,1,1,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Naphthalenecarboxamide, N-(4-(4-(1,1-dimethylpropyl)phenoxy)phenyl)-1-hydroxy-",60871-79-6,173772,1-hydroxy-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide,CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4C=C3)O,"InChI=1S/C28H27NO3/c1-4-28(2,3)20-10-14-22(15-11-20)32-23-16-12-21(13-17-23)29-27(31)25-18-9-19-7-5-6-8-24(19)26(25)30/h5-18,30H,4H2,1-3H3,(H,29,31)",AKXJAFSMLGDBFW-UHFFFAOYSA-N,C28H27NO3,425.5,425.1990937,7.9,58.6,604,0,2,3,6,32,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Morpholine, 4-(1-oxo-4-phenylbutyl)-",61123-44-2,288839,1-morpholin-4-yl-4-phenylbutan-1-one,C1COCCN1C(=O)CCCC2=CC=CC=C2,"InChI=1S/C14H19NO2/c16-14(15-9-11-17-12-10-15)8-4-7-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2",VCWRKWJSYZSPEJ-UHFFFAOYSA-N,C14H19NO2,233.31,233.1415788,1.6,29.5,230,0,0,2,4,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Tylonolide, 5-O-(3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranosyl)-",61257-02-1,6437420,"2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde",CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CC=O)C)\C)CO,"InChI=1S/C31H51NO10/c1-8-25-22(16-34)13-17(2)9-10-23(35)18(3)14-21(11-12-33)30(19(4)24(36)15-26(37)41-25)42-31-29(39)27(32(6)7)28(38)20(5)40-31/h9-10,12-13,18-22,24-25,27-31,34,36,38-39H,8,11,14-16H2,1-7H3/b10-9+,17-13+/t18-,19+,20-,21+,22-,24-,25-,27+,28-,29-,30-,31+/m1/s1",WGUJDBLMJBJUQU-VKRLOHBMSA-N,C31H51NO10,597.7,597.3512968,0.9,163,952,0,4,11,7,42,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,6-Hexanediamine, N,N'-bis(2,2,6,6-tetramethyl-4-piperidinyl)-",61260-55-7,93419,"N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine",CC1(CC(CC(N1)(C)C)NCCCCCCNC2CC(NC(C2)(C)C)(C)C)C,"InChI=1S/C24H50N4/c1-21(2)15-19(16-22(3,4)27-21)25-13-11-9-10-12-14-26-20-17-23(5,6)28-24(7,8)18-20/h19-20,25-28H,9-18H2,1-8H3",UKJARPDLRWBRAX-UHFFFAOYSA-N,C24H50N4,394.7,394.4035476,3.5,48.1,405,0,4,4,9,28,,,0,0,0,1,0,0,1,1,0,0,0,1,0,0,0,0,1,0,0,0
"Cycloocta(1,2-f:3,4-f')bis(1,3)benzodioxole 6,7,8,9-tetrahydro-1,13-dimethoxy-7,8-dimethyl-",61301-33-5,443027,"(12R,13S)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaene",C[C@@H]1CC2=CC3=C(C(=C2C4=C(C5=C(C=C4C[C@@H]1C)OCO5)OC)OC)OCO3,"InChI=1S/C22H24O6/c1-11-5-13-7-15-19(27-9-25-15)21(23-3)17(13)18-14(6-12(11)2)8-16-20(22(18)24-4)28-10-26-16/h7-8,11-12H,5-6,9-10H2,1-4H3/t11-,12+",HTBWBWWADZJXID-TXEJJXNPSA-N,C22H24O6,384.4,384.1572885,5,55.4,509,0,0,6,2,28,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Rifamycin, 3-(((4-cyclopentyl-1-piperazinyl)imino)methyl)-",61379-65-5,135403821,"[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate",C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C=N/N5CCN(CC5)C6CCCC6)/C,"InChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17+,25-14-,48-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1",WDZCUPBHRAEYDL-GZAUEHORSA-N,C47H64N4O12,877,876.4520735,6.7,220,1730,0,6,15,6,63,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperazine, 1-cyclopentyl-4-nitroso-",61379-66-6,15895852,1-cyclopentyl-4-nitrosopiperazine,C1CCC(C1)N2CCN(CC2)N=O,"InChI=1S/C9H17N3O/c13-10-12-7-5-11(6-8-12)9-3-1-2-4-9/h9H,1-8H2",JSRLIZBFYXZPLC-UHFFFAOYSA-N,C9H17N3O,183.25,183.1371622,1.3,35.9,172,0,0,4,1,13,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-(2-hydroxyphenyl)-",61487-06-7,3741669,"4-(2-hydroxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one",C1C(=NC2=CC=CC=C2NC1=O)C3=CC=CC=C3O,"InChI=1S/C15H12N2O2/c18-14-8-4-1-5-10(14)13-9-15(19)17-12-7-3-2-6-11(12)16-13/h1-8,18H,9H2,(H,17,19)",HUFCCRRBLQYUTK-UHFFFAOYSA-N,C15H12N2O2,252.27,252.0898776,2.1,61.7,380,0,2,3,1,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Prosta-5,13-dien-1-oic acid, 6,9-epoxy-11,15-dihydroxy-, sodium salt, (5Z,9-alpha,11-alpha,13E,15S)-",61849-14-7,6364626,"sodium (5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate",CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)[O-])/O2)O)O.[Na+],"InChI=1S/C20H32O5.Na/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22;/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24);/q;+1/p-1/b11-10+,15-8-;/t14-,16+,17+,18+,19-;/m0./s1",LMHIPJMTZHDKEW-XQYLJSSYSA-M,C20H31NaO5,374.4,374.2069184,,89.8,491,0,2,5,10,26,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,7-Naphthalenedisulfonic acid, 5-amino-6-((E)-2-(4-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-3-(2-(4-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)hydrazinylidene)-3,4-dihydro-4-oxo-, sodium salt, (3Z)- (1:6)",61931-49-5,57369786,"hexasodium;4-amino-3-[[4-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-6-[[4-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonate",C1=CC(=CC(=C1)S(=O)(=O)[O-])NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)NN=C4C(=CC5=CC(=C(C(=C5C4=O)N)N=NC6=C(C=C(C=C6)NC7=NC(=NC(=N7)NC8=CC(=CC=C8)S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C40H29Cl2N15O19S6.6Na/c41-35-48-37(44-18-3-1-5-22(13-18)77(59,60)61)52-39(50-35)46-20-7-9-24(26(15-20)79(65,66)67)54-56-32-28(81(71,72)73)11-17-12-29(82(74,75)76)33(34(58)30(17)31(32)43)57-55-25-10-8-21(16-27(25)80(68,69)70)47-40-51-36(42)49-38(53-40)45-19-4-2-6-23(14-19)78(62,63)64;;;;;;/h1-16,55H,43H2,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H2,44,46,48,50,52)(H2,45,47,49,51,53);;;;;;/q;6*+1/p-6",ZFUHFOADMIPXNV-UHFFFAOYSA-H,C40H23Cl2N15Na6O19S6,1418.9,1416.838212,,611,3030,0,6,34,12,88,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Cyclopenta(b)quinolin-9-amine, 2,3,5,6,7,8-hexahydro-",62732-44-9,604519,"2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine",C1CCC2=C(C1)C(=C3CCCC3=N2)N,"InChI=1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14)",YLUSMKAJIQOXPV-UHFFFAOYSA-N,C12H16N2,188.27,188.1313485,2.1,38.9,216,0,1,2,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butanedioic acid, bis(2,2,6,6-tetramethyl-4-piperidinyl) ester",62782-03-0,93340,"bis(2,2,6,6-tetramethylpiperidin-4-yl) butanedioate",CC1(CC(CC(N1)(C)C)OC(=O)CCC(=O)OC2CC(NC(C2)(C)C)(C)C)C,"InChI=1S/C22H40N2O4/c1-19(2)11-15(12-20(3,4)23-19)27-17(25)9-10-18(26)28-16-13-21(5,6)24-22(7,8)14-16/h15-16,23-24H,9-14H2,1-8H3",GOJOVSYIGHASEI-UHFFFAOYSA-N,C22H40N2O4,396.6,396.2988078,2.6,76.7,511,0,2,6,7,28,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"3(2H)-Pyridazinone, 6-(3,5-dichloro-4-methylphenyl)-",62865-36-5,93341,"3-(3,5-dichloro-4-methylphenyl)-1H-pyridazin-6-one",CC1=C(C=C(C=C1Cl)C2=NNC(=O)C=C2)Cl,"InChI=1S/C11H8Cl2N2O/c1-6-8(12)4-7(5-9(6)13)10-2-3-11(16)15-14-10/h2-5H,1H3,(H,15,16)",UWQMKVBQKFHLCE-UHFFFAOYSA-N,C11H8Cl2N2O,255.1,254.0013683,2.9,41.5,342,0,1,2,1,16,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperidine, 4,4-diphenyl-, hydrochloride",63675-71-8,3047504,"4,4-diphenylpiperidine;hydrochloride",C1CNCCC1(C2=CC=CC=C2)C3=CC=CC=C3.Cl,"InChI=1S/C17H19N.ClH/c1-3-7-15(8-4-1)17(11-13-18-14-12-17)16-9-5-2-6-10-16;/h1-10,18H,11-14H2;1H",VHBVKKWTZYRNHX-UHFFFAOYSA-N,C17H20ClN,273.8,273.1284273,,12,222,0,2,1,2,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Pyridine-2-aldoxime-2-benzyl ether,63680-93-3,9562669,(E)-N-phenylmethoxy-1-pyridin-2-ylmethanimine,C1=CC=C(C=C1)CO/N=C/C2=CC=CC=N2,"InChI=1S/C13H12N2O/c1-2-6-12(7-3-1)11-16-15-10-13-8-4-5-9-14-13/h1-10H,11H2/b15-10+",OFVXRRHDUXNKLS-XNTDXEJSSA-N,C13H12N2O,212.25,212.094963,2.7,34.5,212,0,0,3,4,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperazine, 2-pyridylethyl-",63732-26-3,566605,1-(2-pyridin-2-ylethyl)piperazine,C1CN(CCN1)CCC2=CC=CC=N2,"InChI=1S/C11H17N3/c1-2-5-13-11(3-1)4-8-14-9-6-12-7-10-14/h1-3,5,12H,4,6-10H2",NJUNCRDVGUBYCB-UHFFFAOYSA-N,C11H17N3,191.27,191.1422476,0.2,28.2,155,0,1,3,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indole, 3-(2-(4-piperidinyl)ethyl)-, monohydrochloride",63845-42-1,60196352,3-(2-piperidin-4-ylethyl)-1H-indole;hydrochloride,C1CNCCC1CCC2=CNC3=CC=CC=C32.Cl,"InChI=1S/C15H20N2.ClH/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12;/h1-4,11-12,16-17H,5-10H2;1H",GIPICJLTGNEIIL-UHFFFAOYSA-N,C15H21ClN2,264.79,264.1393264,,27.8,235,0,3,1,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,12-Epoxy-12H-pyranol(4,3-j)-1,2-benzodioxepin-10(3H)-one, octahydro-3,6,9-trimethyl-, (3-alpha,5a-beta,6-beta,8a-beta,9-alpha,12-beta,12aR*)-(+)-",63968-64-9,68827,"(1R,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one",C[C@@H]1CC[C@H]2[C@H](C(=O)O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)C,"InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1",BLUAFEHZUWYNDE-NNWCWBAJSA-N,C15H22O5,282.33,282.1467238,2.8,54,452,0,0,5,0,20,,,1,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,0,0
"Isoxazole, 5-amino-4-(p-chlorophenyl)-",64047-49-0,46702,"4-(4-chlorophenyl)-1,2-oxazol-5-amine",C1=CC(=CC=C1C2=C(ON=C2)N)Cl,"InChI=1S/C9H7ClN2O/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,11H2",GWZGFUKSSKIWAP-UHFFFAOYSA-N,C9H7ClN2O,194.62,194.0246905,2.3,52.1,171,0,1,3,1,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Piperazineacetamide, N-(4-methylcyclohexyl)-",64204-56-4,22762711,N-(4-methylcyclohexyl)-2-piperazin-1-ylacetamide,CC1CCC(CC1)NC(=O)CN2CCNCC2,"InChI=1S/C13H25N3O/c1-11-2-4-12(5-3-11)15-13(17)10-16-8-6-14-7-9-16/h11-12,14H,2-10H2,1H3,(H,15,17)",CAAOEHIVBPMQOK-UHFFFAOYSA-N,C13H25N3O,239.36,239.1997624,1,44.4,243,0,2,3,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((amino(4-hydroxyphenyl)acetyl)amino)-8-oxo-3-((1H-1,2,3-triazol-4-ylthio)methyl)-, (6R-(6-alpha,7-beta(R*)))-,mixed with 1,2-propanediol",64217-62-5,6410757,"(6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;propane-1,2-diol",CC(CO)O.C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)CSC4=NNN=C4,"InChI=1S/C18H18N6O5S2.C3H8O2/c19-12(8-1-3-10(25)4-2-8)15(26)21-13-16(27)24-14(18(28)29)9(7-31-17(13)24)6-30-11-5-20-23-22-11;1-3(5)2-4/h1-5,12-13,17,25H,6-7,19H2,(H,21,26)(H,28,29)(H,20,22,23);3-5H,2H2,1H3/t12-,13-,17-;/m1./s1",CKOIKOHDEYTLFR-PFBPGKLMSA-N,C21H26N6O7S2,538.6,538.1304395,,266,795,0,7,12,8,36,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Pyridinium, 1,1'-(1,10-decanediyl)bis(4-(octylamino)-, dichloride",64690-21-7,198481,N-octyl-1-[10-[4-(octylamino)pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-amine dichloride,CCCCCCCCNC1=CC=[N+](C=C1)CCCCCCCCCC[N+]2=CC=C(C=C2)NCCCCCCCC.[Cl-].[Cl-],"InChI=1S/C36H62N4.2ClH/c1-3-5-7-9-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-10-8-6-4-2;;/h23-26,31-34H,3-22,27-30H2,1-2H3;2*1H",SMGTYJPMKXNQFY-UHFFFAOYSA-N,C36H64Cl2N4,623.8,622.4508034,,31.8,465,0,2,4,27,42,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Azaspiro(4,5)decan-3-one",64744-50-9,47457,2-azaspiro[4.5]decan-3-one,C1CCC2(CC1)CC(=O)NC2,"InChI=1S/C9H15NO/c11-8-6-9(7-10-8)4-2-1-3-5-9/h1-7H2,(H,10,11)",JAWPQJDOQPSNIQ-UHFFFAOYSA-N,C9H15NO,153.22,153.1153641,1.5,29.1,170,0,1,1,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9H-Xanthen-9-one, 2-beta-D-glucopyranosyl-7-(beta-D-glucopyranosyloxy)-1,3,6-trihydroxy-",64809-67-2,6918448,"1,3,6-trihydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one",C1=C2C(=CC(=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC4=C(C2=O)C(=C(C(=C4)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O,"InChI=1S/C25H28O16/c26-4-12-17(31)20(34)22(36)24(39-12)14-8(29)3-11-15(19(14)33)16(30)6-1-10(7(28)2-9(6)38-11)40-25-23(37)21(35)18(32)13(5-27)41-25/h1-3,12-13,17-18,20-29,31-37H,4-5H2/t12-,13-,17-,18-,20+,21+,22-,23-,24+,25-/m1/s1",VUWOVGXVRYBSGI-IRXABLMPSA-N,C25H28O16,584.5,584.1377348,-2.2,277,924,0,11,16,5,41,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclobutylamine, 3,3-diphenyl-N-methyl-, hydrochloride",64895-42-7,12403602,"N-methyl-3,3-diphenylcyclobutan-1-amine;hydrochloride",CNC1CC(C1)(C2=CC=CC=C2)C3=CC=CC=C3.Cl,"InChI=1S/C17H19N.ClH/c1-18-16-12-17(13-16,14-8-4-2-5-9-14)15-10-6-3-7-11-15;/h2-11,16,18H,12-13H2,1H3;1H",UKWMOJLWPNARMK-UHFFFAOYSA-N,C17H20ClN,273.8,273.1284273,,12,235,0,2,1,3,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Platinum (II), (cyclohexane-1,2-diammine)di(p-toluenesulfonato)-",65296-78-8,3049907,"cyclohexane-1,2-diamine;bis(4-methylbenzenesulfonate);platinum(2+)",CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCC(C(C1)N)N.[Pt+2],"InChI=1S/2C7H8O3S.C6H14N2.Pt/c2*1-6-2-4-7(5-3-6)11(8,9)10;7-5-3-1-2-4-6(5)8;/h2*2-5H,1H3,(H,8,9,10);5-6H,1-4,7-8H2;/q;;;+2/p-2",RBMILPWFJFMZTQ-UHFFFAOYSA-L,C20H28N2O6PtS2,651.7,651.103673,,183,256,0,2,8,0,31,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,1,0,0,1,0,0
"D-xylo-Hept-2-enonic acid, 4,7-anhydro-2,3-dideoxy-7-C-phenyl-, delta-lactone, (7R)-",65408-91-5,442513,"(2R,3R,3aS,7aS)-3-hydroxy-2-phenyl-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-5-one",C1=CC=C(C=C1)[C@@H]2[C@H]([C@H]3[C@@H](O2)C=CC(=O)O3)O,"InChI=1S/C13H12O4/c14-10-7-6-9-13(17-10)11(15)12(16-9)8-4-2-1-3-5-8/h1-7,9,11-13,15H/t9-,11+,12+,13+/m0/s1",ZKIRVBNLJKGIEM-WKSBVSIWSA-N,C13H12O4,232.23,232.0735589,0.9,55.8,332,0,1,4,1,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Dibenz(2,3:6,7)oxepino(4,5-c)pyrrole, 5-chloro-2,3,3a,12b-tetrahydro-2-methyl-, (3aR,12bR)-rel-",65576-45-6,163091,"(2S,6S)-9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene",CN1C[C@H]2[C@H](C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24,"InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m1/s1",VSWBSWWIRNCQIJ-HUUCEWRRSA-N,C17H16ClNO,285.8,285.0920418,3.8,12.5,363,0,0,2,0,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, N-((4-chlorophenyl)methyl)-N-cyclopentyl-N'-phenyl-",66063-05-6,91692,1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea,C1CCC(C1)N(CC2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3,"InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)",OGYFATSSENRIKG-UHFFFAOYSA-N,C19H21ClN2O,328.8,328.134241,4.8,32.3,370,0,1,1,4,23,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Succinimide, 2-benzyl-",66195-04-8,3050332,"3-benzylpyrrolidine-2,5-dione",C1C(C(=O)NC1=O)CC2=CC=CC=C2,"InChI=1S/C11H11NO2/c13-10-7-9(11(14)12-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13,14)",OVJRWHNWCJFPBL-UHFFFAOYSA-N,C11H11NO2,189.21,189.0789786,1,46.2,244,0,1,2,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4-Triazolo(4,3-b)pyridazine, 3-methyl-6-(3-(trifluoromethyl)phenyl)-",66548-69-4,107950,"3-methyl-6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine",CC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)C(F)(F)F,"InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3",GUOQUXNJZHGPQF-UHFFFAOYSA-N,C13H9F3N4,278.23,278.0779308,2.7,43.1,349,0,0,6,1,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4(1H,3H)-Pyrimidinedione, 1-(2-((2-hydroxy-3-(2-methylphenoxy)propyl)amino)ethyl)-5-methyl-",67227-55-8,68563,"1-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethyl]-5-methylpyrimidine-2,4-dione",CC1=CC=CC=C1OCC(CNCCN2C=C(C(=O)NC2=O)C)O,"InChI=1S/C17H23N3O4/c1-12-5-3-4-6-15(12)24-11-14(21)9-18-7-8-20-10-13(2)16(22)19-17(20)23/h3-6,10,14,18,21H,7-9,11H2,1-2H3,(H,19,22,23)",RETPFDTUCPKFEC-UHFFFAOYSA-N,C17H23N3O4,333.4,333.1688562,0.6,90.9,480,0,3,5,8,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperidine, 1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-",67306-00-7,91694,1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine,CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2,"InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3",MGNFYQILYYYUBS-UHFFFAOYSA-N,C19H31N,273.5,273.24565,5.5,3.2,264,0,0,1,5,20,,,1,0,1,1,0,0,1,1,0,0,0,0,0,1,0,0,1,1,1,1
"Spiro(17H-dicyclopropa(6,7:15,16)cyclopenta(a)phenanthrene-17,2'(5'H)-furan)-3,5'(2H)-dione, 1,3',4',6,7,8,9,10,11,12,13,14,15,16,20,21-hexadecahydro-10,13-dimethyl-,(6R-(6-alpha,7-alpha,8-beta,9-alpha,10-beta,13-beta,14-alpha,15-alpha,16-alpha,17-beta))-",67392-87-4,68873,"(1R,2R,4R,10R,11S,14S,15S,16S,18S,19S)-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2',7-dione",C[C@]12CCC(=O)C=C1[C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@@]57CCC(=O)O7)C,"InChI=1S/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+/m1/s1",METQSPRSQINEEU-HXCATZOESA-N,C24H30O3,366.5,366.2194948,3.5,43.4,827,0,0,3,0,27,,,0,1,1,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Morpholine, 2,6-dimethyl-4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-, cis-",67564-91-4,93365,"(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine",C[C@@H]1CN(C[C@@H](O1)C)CC(C)CC2=CC=C(C=C2)C(C)(C)C,"InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+",RYAUSSKQMZRMAI-ALOPSCKCSA-N,C20H33NO,303.5,303.2562147,5.2,12.5,317,0,0,2,5,22,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0
"Piperazine, 1-(4-(((2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-(1-methylethyl)-, rel-",67915-31-5,441383,"1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-propan-2-ylpiperazine",CC(C)N1CCN(CC1)C2=CC=C(C=C2)OC[C@H]3CO[C@](O3)(CN4C=NC=N4)C5=C(C=C(C=C5)Cl)Cl,"InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m0/s1",BLSQLHNBWJLIBQ-OZXSUGGESA-N,C26H31Cl2N5O3,532.5,531.1803953,4.8,64.9,692,0,0,7,8,36,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"5H-(1)Benzopyrano(2,3-b)pyridine-3-carboxylic acid, 2-amino-7-(1-methylethyl)-5-oxo-",68302-57-8,2161,"2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid",CC(C)C1=CC2=C(C=C1)OC3=NC(=C(C=C3C2=O)C(=O)O)N,"InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)",SGRYPYWGNKJSDL-UHFFFAOYSA-N,C16H14N2O4,298.29,298.0953569,3.1,103,467,0,2,6,2,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Imidazole, 1-(1-((4-chloro-2-(trifluoromethyl)phenyl)imino)-2-propoxyethyl)-",68694-11-1,91699,N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine,CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2,"InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3",HSMVPDGQOIQYSR-UHFFFAOYSA-N,C15H15ClF3N3O,345.75,345.0855743,4,39.4,406,0,0,6,6,23,,No boiling point at normal pressure; decomposes at 150 °C,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,1,1,0
"1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-methyl-3-(3-methyl-4-(4-((trifluoromethyl)thio)phenoxy)phenyl)-",69004-03-1,68591,"1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione",CC1=C(C=CC(=C1)N2C(=O)NC(=O)N(C2=O)C)OC3=CC=C(C=C3)SC(F)(F)F,"InChI=1S/C18H14F3N3O4S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)28-12-4-6-13(7-5-12)29-18(19,20)21/h3-9H,1-2H3,(H,22,25,26)",OCINXEZVIIVXFU-UHFFFAOYSA-N,C18H14F3N3O4S,425.4,425.0657116,4.4,104,655,0,1,8,4,29,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Propanamide, N-(1-(2-(4-ethyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)ethyl)-4-(methoxymethyl)-4-piperidinyl)-N-phenyl-, hydrochloride, hydrate",69049-06-5,64761,N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide;hydrochloride,CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C(=O)N(N=N3)CC)COC.Cl,"InChI=1S/C21H32N6O3.ClH/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26;/h6-10H,4-5,11-17H2,1-3H3;1H",AQORHZJDCHLLJN-UHFFFAOYSA-N,C21H33ClN6O3,453,452.2302666,,81.1,614,0,1,6,9,31,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"Piperazine, 1-(10,11-dihydrodibenzo(a,d)cyclohepten-5-yl)-",69159-50-8,2735936,"1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazine",C1CC2=CC=CC=C2C(C3=CC=CC=C31)N4CCNCC4,"InChI=1S/C19H22N2/c1-3-7-17-15(5-1)9-10-16-6-2-4-8-18(16)19(17)21-13-11-20-12-14-21/h1-8,19-20H,9-14H2",MDBCLUYDTRHKCA-UHFFFAOYSA-N,C19H22N2,278.4,278.1782987,3.1,15.3,312,0,1,2,1,21,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Stannane, dioctyl(ethylenedioxybis(carbonylmethylthio))-",69226-44-4,9577639,"5,5-dioctyl-1,9-dioxa-4,6-dithia-5-stannacycloundecane-2,8-dione",CCCCCCCC[Sn]1(SCC(=O)OCCOC(=O)CS1)CCCCCCCC,"InChI=1S/2C8H17.C6H10O4S2.Sn/c2*1-3-5-7-8-6-4-2;7-5(3-11)9-1-2-10-6(8)4-12;/h2*1,3-8H2,2H3;11-12H,1-4H2;/q;;;+2/p-2",XTFWXVDCMIKXBZ-UHFFFAOYSA-L,C22H42O4S2Sn,553.4,554.154655,,103,409,0,0,6,14,29,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Cyclopropanecarboxamide, N-(3-chlorophenyl)-N-(tetrahydro-2-oxo-3-furanyl)-",69581-33-5,50590,N-(3-chlorophenyl)-N-(2-oxooxolan-3-yl)cyclopropanecarboxamide,C1CC1C(=O)N(C2CCOC2=O)C3=CC(=CC=C3)Cl,"InChI=1S/C14H14ClNO3/c15-10-2-1-3-11(8-10)16(13(17)9-4-5-9)12-6-7-19-14(12)18/h1-3,8-9,12H,4-7H2",KRZUZYJEQBXUIN-UHFFFAOYSA-N,C14H14ClNO3,279.72,279.066221,2.5,46.6,383,0,0,3,3,19,,,1,1,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopropanecarboxylic acid, 3-(2-chloro-2-(4-chlorophenyl)ethenyl)-2,2-dimethyl-, cyano(4-fluoro-3-phenoxyphenyl)methyl ester",69770-45-2,91702,"[cyano-(4-fluoro-3-phenoxyphenyl)methyl] 3-[2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylate",CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C=C(C4=CC=C(C=C4)Cl)Cl)C,"InChI=1S/C28H22Cl2FNO3/c1-28(2)21(15-22(30)17-8-11-19(29)12-9-17)26(28)27(33)35-25(16-32)18-10-13-23(31)24(14-18)34-20-6-4-3-5-7-20/h3-15,21,25-26H,1-2H3",YXWCBRDRVXHABN-UHFFFAOYSA-N,C28H22Cl2FNO3,510.4,509.0960771,7.6,59.3,825,0,0,5,8,35,,,1,1,1,1,0,0,1,1,0,0,0,0,0,1,0,0,1,1,1,1
"Theophylline, 7-(1,3-dioxolan-2-ylmethyl)-",69975-86-6,50942,"7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione",CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3OCCO3,"InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3",HWXIGFIVGWUZAO-UHFFFAOYSA-N,C11H14N4O4,266.25,266.1015049,-0.9,76.9,398,0,0,5,2,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-, calcium salt",70145-60-7,112362,"calcium bis(4-butyl-5-oxo-1,2-diphenylpyrazol-3-olate)",CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)[O-].CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)[O-].[Ca+2],"InChI=1S/2C19H20N2O2.Ca/c2*1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;/h2*4-13,22H,2-3,14H2,1H3;/q;;+2/p-2",XMVFRSAMWBGRNR-UHFFFAOYSA-L,C38H38CaN4O4,654.8,654.2518966,,93.2,411,0,0,6,10,47,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-Indol-2-one, 1,3-dihydro-1-methyl-3-(2-oxopropylidene)-",70351-51-8,12480412,(3Z)-1-methyl-3-(2-oxopropylidene)indol-2-one,CC(=O)/C=C\1/C2=CC=CC=C2N(C1=O)C,"InChI=1S/C12H11NO2/c1-8(14)7-10-9-5-3-4-6-11(9)13(2)12(10)15/h3-7H,1-2H3/b10-7-",CZKBLHCEDVWPRN-YFHOEESVSA-N,C12H11NO2,201.22,201.0789786,0.9,37.4,333,0,0,2,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3(2H)-Pyridazinone, 6-(1H-pyrazol-1-yl)-, hydrazone",70589-07-0,3031327,(6-pyrazol-1-ylpyridazin-3-yl)hydrazine,C1=CN(N=C1)C2=NN=C(C=C2)NN,"InChI=1S/C7H8N6/c8-10-6-2-3-7(12-11-6)13-5-1-4-9-13/h1-5H,8H2,(H,10,11)",GJNSELBGDLLJPP-UHFFFAOYSA-N,C7H8N6,176.18,176.0810443,-0.3,81.7,163,0,2,5,2,13,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1,2-Benzothiazine-3-carboxamide, 4-hydroxy-2-methyl-N-(5-methyl-2-thiazolyl)-, 1,1-dioxide",71125-38-7,54677470,"4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide",CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O,"InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)",ZRVUJXDFFKFLMG-UHFFFAOYSA-N,C14H13N3O4S2,351.4,351.0347483,3,136,628,0,2,7,2,23,,581.3±60.0,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Benzamide, 4-chloro-N-(2-(4-morpholinyl)ethyl)-",71320-77-9,4235,4-chloro-N-(2-morpholin-4-ylethyl)benzamide,C1COCCN1CCNC(=O)C2=CC=C(C=C2)Cl,"InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)",YHXISWVBGDMDLQ-UHFFFAOYSA-N,C13H17ClN2O2,268.74,268.0978555,1.5,41.6,262,0,1,3,4,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9,10-Anthracenedicarboxaldehyde, bis((4,5-dihydro-1H-imidazol-2-yl)hydrazone),dihydrochloride",71439-68-4,6917792,"N-[(E)-[10-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;dihydrochloride",C1NC(=NC1)N/N=C/C2=C3C(=C(C4=CC=CC=C24)/C=N/NC5=NCCN5)C=CC=C3.Cl.Cl,"InChI=1S/C22H22N8.2ClH/c1-2-6-16-15(5-1)19(13-27-29-21-23-9-10-24-21)17-7-3-4-8-18(17)20(16)14-28-30-22-25-11-12-26-22;;/h1-8,13-14H,9-12H2,(H2,23,24,29)(H2,25,26,30);2*1H/b27-13+,28-14+;;",KINULKKPVJYRON-PVNXHVEDSA-N,C22H24Cl2N8,471.4,470.1500982,,97.6,630,0,6,4,6,32,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-4-O-(tetrahydro-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-,(8S-cis)-",72496-41-4,11296583,"(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-6-methyl-5-[(2R)-oxan-2-yl]oxyoxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione",C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O[C@@H]6CCCCO6,"InChI=1S/C32H37NO12/c1-14-31(45-21-8-3-4-9-42-21)17(33)10-22(43-14)44-19-12-32(40,20(35)13-34)11-16-24(19)30(39)26-25(28(16)37)27(36)15-6-5-7-18(41-2)23(15)29(26)38/h5-7,14,17,19,21-22,31,34,37,39-40H,3-4,8-13,33H2,1-2H3/t14-,17-,19-,21+,22-,31+,32-/m0/s1",KMSKQZKKOZQFFG-YXRRJAAWSA-N,C32H37NO12,627.6,627.2315756,2.7,204,1120,0,5,13,7,45,,,0,0,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0
"1,3,4-Thiadiazole-2(3H)-thione, 5,5'-dithiobis-",72676-55-2,4436654,"5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)disulfanyl]-3H-1,3,4-thiadiazole-2-thione",C1(=S)NN=C(S1)SSC2=NNC(=S)S2,"InChI=1S/C4H2N4S6/c9-1-5-7-3(11-1)13-14-4-8-6-2(10)12-4/h(H,5,9)(H,6,10)",DJCISYVIXPWVHY-UHFFFAOYSA-N,C4H2N4S6,298.5,297.8603731,2.9,214,314,0,2,8,3,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"s-Triazolo(4,3-a)pyridine, 5,6,7,8-tetrahydro-3-(2-(4-(o-tolyl)-1-piperazinyl)ethyl)-,hydrochloride",72822-12-9,3033538,"3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine",CC1=CC=CC=C1N2CCN(CC2)CCC3=NN=C4N3CCCC4,"InChI=1S/C19H27N5/c1-16-6-2-3-7-17(16)23-14-12-22(13-15-23)11-9-19-21-20-18-8-4-5-10-24(18)19/h2-3,6-7H,4-5,8-15H2,1H3",RFWZESUMWJKKRN-UHFFFAOYSA-N,C19H27N5,325.5,325.2266459,2.4,37.2,395,0,0,4,4,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3-Thiopheneacetic acid, 4-((2,6-dichlorophenyl)amino)-",72895-88-6,51717,"2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetic acid",C1=CC(=C(C(=C1)Cl)NC2=CSC=C2CC(=O)O)Cl,"InChI=1S/C12H9Cl2NO2S/c13-8-2-1-3-9(14)12(8)15-10-6-18-5-7(10)4-11(16)17/h1-3,5-6,15H,4H2,(H,16,17)",AELILMBZWCGOSB-UHFFFAOYSA-N,C12H9Cl2NO2S,302.2,300.9731051,3.9,77.6,296,0,2,4,4,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Glycinamide, N-((1-mercaptocyclohexyl)acetyl)-O-methyl-L-tyrosyl-L-phenylalanyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-arginyl-, cyclic (1-5)-disulfide",73168-24-8,9833460,"(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(10R,13S,16S,19S,22S)-13-(2-amino-2-oxoethyl)-16-(3-amino-3-oxopropyl)-19-benzyl-22-[(4-methoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide",COC1=CC=C(C=C1)C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC3(CCCCC3)CC(=O)N2)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)CC5=CC=CC=C5,"InChI=1S/C52H74N14O12S2/c1-78-32-16-14-31(15-17-32)25-35-46(73)63-36(24-30-10-4-2-5-11-30)47(74)61-34(18-19-40(53)67)45(72)64-37(26-41(54)68)48(75)65-38(29-79-80-52(27-43(70)60-35)20-6-3-7-21-52)50(77)66-23-9-13-39(66)49(76)62-33(12-8-22-58-51(56)57)44(71)59-28-42(55)69/h2,4-5,10-11,14-17,33-39H,3,6-9,12-13,18-29H2,1H3,(H2,53,67)(H2,54,68)(H2,55,69)(H,59,71)(H,60,70)(H,61,74)(H,62,76)(H,63,73)(H,64,72)(H,65,75)(H4,56,57,58)/t33-,34-,35-,36-,37-,38-,39-/m0/s1",QVQOGNOOAMQKCE-ZTYVOHGWSA-N,C52H74N14O12S2,1151.4,1150.505206,-2.1,478,2220,0,12,15,20,80,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Morphinanium, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-17-methyl-6-oxo-, bromide, (5-alpha)-",73232-52-7,5361917,"(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one bromide",C[N+]1(CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)CC6CC6.[Br-],"InChI=1S/C21H25NO4.BrH/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13;/h4-5,12,16,19,25H,2-3,6-11H2,1H3;1H/t16-,19+,20+,21-,22?;/m1./s1",IFGIYSGOEZJNBE-KNLJMPJLSA-N,C21H26BrNO4,436.3,435.10452,,66.8,664,0,2,5,2,27,,,1,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-8-oxo-3-(((1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio)methyl)-, (6R-(6alpha,7beta(Z)))-",73384-59-5,5479530,"(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",CN1C(=NC(=O)C(=O)N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)O,"InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1",VAAUVRVFOQPIGI-SPQHTLEESA-N,C18H18N8O7S3,554.6,554.0460585,-1.3,288,1110,0,4,13,8,36,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"1H-Imidazo(4,5-b)pyridine, 2-(2-methoxy-4-(methylsulfinyl)phenyl)-",73384-60-8,5353,"2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine",COC1=C(C=CC(=C1)S(=O)C)C2=NC3=C(N2)C=CC=N3,"InChI=1S/C14H13N3O2S/c1-19-12-8-9(20(2)18)5-6-10(12)13-16-11-4-3-7-15-14(11)17-13/h3-8H,1-2H3,(H,15,16,17)",XMFCOYRWYYXZMY-UHFFFAOYSA-N,C14H13N3O2S,287.34,287.0728478,1.2,87.1,368,0,1,5,3,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Barbituric acid, 5-((2-pyridyl)methylene)-2-thio-",73664-50-3,2803132,"5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione",C1=CC=NC(=C1)C=C2C(=O)NC(=S)NC2=O,"InChI=1S/C10H7N3O2S/c14-8-7(9(15)13-10(16)12-8)5-6-3-1-2-4-11-6/h1-5H,(H2,12,13,14,15,16)",ADSHHMXOPOSYGL-UHFFFAOYSA-N,C10H7N3O2S,233.25,233.0258977,0.5,103,356,0,2,4,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Benzimidazolethiol, 1-(4-hydroxyanilinomethyl)-, hydrochloride",73688-73-0,3056308,3-[(4-hydroxyanilino)methyl]-1H-benzimidazole-2-thione;hydrochloride,C1=CC=C2C(=C1)NC(=S)N2CNC3=CC=C(C=C3)O.Cl,"InChI=1S/C14H13N3OS.ClH/c18-11-7-5-10(6-8-11)15-9-17-13-4-2-1-3-12(13)16-14(17)19;/h1-8,15,18H,9H2,(H,16,19);1H",GIIDMASDVLFXDX-UHFFFAOYSA-N,C14H14ClN3OS,307.8,307.0546109,,79.6,331,0,4,3,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzyl alcohol, alpha,p-dimethyl-alpha-(1-methylcyclopropyl)-, dl-",73728-61-7,52313,1-(1-methylcyclopropyl)-1-(4-methylphenyl)ethanol,CC1=CC=C(C=C1)C(C)(C2(CC2)C)O,"InChI=1S/C13H18O/c1-10-4-6-11(7-5-10)13(3,14)12(2)8-9-12/h4-7,14H,8-9H2,1-3H3",LSFLKQLAYCHFNX-UHFFFAOYSA-N,C13H18O,190.28,190.1357652,2.8,20.2,211,0,1,1,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Indole, 3-(N-(3-pyridyl)formimidoyl)-",73816-56-5,52562,1-(1H-indol-3-yl)-N-pyridin-3-ylmethanimine,C1=CC=C2C(=C1)C(=CN2)C=NC3=CN=CC=C3,"InChI=1S/C14H11N3/c1-2-6-14-13(5-1)11(9-17-14)8-16-12-4-3-7-15-10-12/h1-10,17H",ORFGBHFBILRCNW-UHFFFAOYSA-N,C14H11N3,221.26,221.0952974,2.4,41,277,0,1,2,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,5-Diazabicyclo(3.2.1)octane, 8-(4-ethoxy-3-methoxyphenyl)-",73825-80-6,96592,"8-(4-ethoxy-3-methoxyphenyl)-1,5-diazabicyclo[3.2.1]octane",CCOC1=C(C=C(C=C1)C2N3CCCN2CC3)OC,"InChI=1S/C15H22N2O2/c1-3-19-13-6-5-12(11-14(13)18-2)15-16-7-4-8-17(15)10-9-16/h5-6,11,15H,3-4,7-10H2,1-2H3",QPDYWPHYSFTVSQ-UHFFFAOYSA-N,C15H22N2O2,262.35,262.1681279,2.1,24.9,288,0,0,4,4,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(5H)-Furanone, 3-acetyl-4-(4-hydroxy-3-methoxyphenyl)-",73839-65-3,52646,4-acetyl-3-(4-hydroxy-3-methoxyphenyl)-2H-furan-5-one,CC(=O)C1=C(COC1=O)C2=CC(=C(C=C2)O)OC,"InChI=1S/C13H12O5/c1-7(14)12-9(6-18-13(12)16)8-3-4-10(15)11(5-8)17-2/h3-5,15H,6H2,1-2H3",ULTWKORORDEMCL-UHFFFAOYSA-N,C13H12O5,248.23,248.0684735,0.9,72.8,398,0,1,5,3,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Furfurylamine, alpha-benzyl-N-ethyl-",73839-70-0,52652,N-ethyl-1-(furan-2-yl)-2-phenylethanamine,CCNC(CC1=CC=CC=C1)C2=CC=CO2,"InChI=1S/C14H17NO/c1-2-15-13(14-9-6-10-16-14)11-12-7-4-3-5-8-12/h3-10,13,15H,2,11H2,1H3",JJZNSQAREZKLGY-UHFFFAOYSA-N,C14H17NO,215.29,215.1310142,2.7,25.2,189,0,1,2,5,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Quinuclidinol, p-toluenesulfonate, hydrochloride",73855-50-2,3056889,1-azabicyclo[2.2.2]octan-3-yl 4-methylbenzenesulfonate;hydrochloride,CC1=CC=C(C=C1)S(=O)(=O)OC2CN3CCC2CC3.Cl,"InChI=1S/C14H19NO3S.ClH/c1-11-2-4-13(5-3-11)19(16,17)18-14-10-15-8-6-12(14)7-9-15;/h2-5,12,14H,6-10H2,1H3;1H",DUXKLZUKUZWKTF-UHFFFAOYSA-N,C14H20ClNO3S,317.8,317.0852424,,55,401,0,1,4,3,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Rhodanine, 5-(3-indolylmethylene)-",73855-59-1,135501994,"4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3H-1,3-thiazole-2-thione",C1=CC=C2C(=C1)/C(=C\C3=C(NC(=S)S3)O)/C=N2,"InChI=1S/C12H8N2OS2/c15-11-10(17-12(16)14-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-6,15H,(H,14,16)/b7-5-",TZMYVTIZPGJYJU-ALCCZGGFSA-N,C12H8N2OS2,260.3,260.0078052,2,102,453,0,2,4,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, 1-(p-chlorophenyl)-3-(3-morpholinopropyl)-",73953-71-6,1809198,1-(4-chlorophenyl)-3-(3-morpholin-4-ylpropyl)urea,C1COCCN1CCCNC(=O)NC2=CC=C(C=C2)Cl,"InChI=1S/C14H20ClN3O2/c15-12-2-4-13(5-3-12)17-14(19)16-6-1-7-18-8-10-20-11-9-18/h2-5H,1,6-11H2,(H2,16,17,19)",ZDXDBWOQLMRZPB-UHFFFAOYSA-N,C14H20ClN3O2,297.78,297.1244046,1.6,53.6,290,0,2,3,5,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-Pyrazolin-5-one, 3-methyl-4-phenylhydrazino-",74037-30-2,98890,"3-methyl-4-(2-phenylhydrazinyl)-1,4-dihydropyrazol-5-one",CC1=NNC(=O)C1NNC2=CC=CC=C2,"InChI=1S/C10H12N4O/c1-7-9(10(15)14-11-7)13-12-8-5-3-2-4-6-8/h2-6,9,12-13H,1H3,(H,14,15)",YXWPBSNRPGIOKR-UHFFFAOYSA-N,C10H12N4O,204.23,204.101111,1.1,65.5,271,0,3,4,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzimidazole, 1-(p-chlorobenzyl)-2-methyl-, hydrochloride",74298-63-8,11346885,1-[(4-chlorophenyl)methyl]-2-methylbenzimidazole;hydrochloride,CC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)Cl.Cl,"InChI=1S/C15H13ClN2.ClH/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6-8-13(16)9-7-12;/h2-9H,10H2,1H3;1H",MHMTXDMLQZHXRZ-UHFFFAOYSA-N,C15H14Cl2N2,293.2,292.0534038,,17.8,276,0,1,1,2,19,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"Pyridinium, 1-methyl-4-(5-phenyl-2-oxazolyl)-, p-toluenesulfonate",74718-18-6,3058220,"4-methylbenzenesulfonate;2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-1,3-oxazole",CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)C2=NC=C(O2)C3=CC=CC=C3,"InChI=1S/C15H13N2O.C7H8O3S/c1-17-9-7-13(8-10-17)15-16-11-14(18-15)12-5-3-2-4-6-12;1-6-2-4-7(5-3-6)11(8,9)10/h2-11H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1",PIXCCZOFOOEFLW-UHFFFAOYSA-M,C22H20N2O4S,408.5,408.1143783,,95.5,450,0,0,5,2,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyridineacetonitrile, alpha-(2-(bis(1-methylethyl)amino)ethyl)-alpha-phenyl-,4-methylbenzenesulfonate",75157-06-1,3058353,4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanenitrile;4-methylbenzenesulfonic acid,CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)N(CCC(C#N)(C1=CC=CC=C1)C2=CC=CC=N2)C(C)C,"InChI=1S/C21H27N3.C7H8O3S/c1-17(2)24(18(3)4)15-13-21(16-22,19-10-6-5-7-11-19)20-12-8-9-14-23-20;1-6-2-4-7(5-3-6)11(8,9)10/h5-12,14,17-18H,13,15H2,1-4H3;2-5H,1H3,(H,8,9,10)",UYYRYIKFIAKGGX-UHFFFAOYSA-N,C28H35N3O3S,493.7,493.2399132,,103,614,0,1,6,8,35,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-Pyrimidinamine, 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methyl-",75438-57-2,4810,"4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine",CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OC,"InChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)",WPNJAUFVNXKLIM-UHFFFAOYSA-N,C9H12ClN5O,241.68,241.0730377,0.6,71.4,275,0,2,4,3,16,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Piperazinecarboxamide, 4-(4,4-bis(4-fluorophenyl)butyl)-N-ethyl-",75558-90-6,73333,"4-[4,4-bis(4-fluorophenyl)butyl]-N-ethylpiperazine-1-carboxamide",CCNC(=O)N1CCN(CC1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F,"InChI=1S/C23H29F2N3O/c1-2-26-23(29)28-16-14-27(15-17-28)13-3-4-22(18-5-9-20(24)10-6-18)19-7-11-21(25)12-8-19/h5-12,22H,2-4,13-17H2,1H3,(H,26,29)",NNAIYOXJNVGUOM-UHFFFAOYSA-N,C23H29F2N3O,401.5,401.2278689,4.1,35.6,461,0,1,4,7,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Butenoic acid, 2-methyl-, (1aR,2R,5R,5aS,6S,8aS,9R,10aR)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-methanocyclopenta(a)cyclopropa(e)cyclodecen-6-yl",75567-37-2,6918670,"[(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoate",C/C=C(/C)\C(=O)O[C@H]1C(=C[C@@]23[C@@]1([C@@H](C(=C[C@H](C2=O)[C@H]4[C@H](C4(C)C)C[C@H]3C)CO)O)O)C,"InChI=1S/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16+,17-,18+,19-,21+,24+,25+/m1/s1",VDJHFHXMUKFKET-WDUFCVPESA-N,C25H34O6,430.5,430.2355388,2,104,926,0,3,6,4,31,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Isoxazolecarboxamide, 5-methyl-N-(4-(trifluoromethyl)phenyl)-",75706-12-6,3899,"5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide",CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F,"InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)",VHOGYURTWQBHIL-UHFFFAOYSA-N,C12H9F3N2O2,270.21,270.061612,2.5,55.1,327,0,1,6,2,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-,hydrochloride (2:1), (6R-(6-alpha,7-beta(Z)))-",75738-58-8,11954009,"bis((6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid);hydrochloride",CN1N=NN=C1SCC2=C(N3C(=O)[C@H]([C@H]3SC2)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)C(=O)O.CN1N=NN=C1SCC2=C(N3C(=O)[C@H]([C@H]3SC2)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)C(=O)O.Cl,"InChI=1S/2C16H17N9O5S3.ClH/c2*1-24-16(20-22-23-24)33-4-6-3-31-13-9(12(27)25(13)10(6)14(28)29)19-11(26)8(21-30-2)7-5-32-15(17)18-7;/h2*5,9,13H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29);1H/b2*21-8-;/t2*9-,13-;/m11./s1",MPTNDTIREFCQLK-UNVJPQNDSA-N,C32H35ClN18O10S6,1059.6,1058.079634,,539,890,0,7,28,16,67,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"9H-Carbazole, 9-(3-(3,5-dimethyl-L-piperazinyl)propyl)-, dihydrochloride, cis-",75859-03-9,53388,"9-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]carbazole;dihydrochloride",C[C@@H]1CN(C[C@@H](N1)C)CCCN2C3=CC=CC=C3C4=CC=CC=C42.Cl.Cl,"InChI=1S/C21H27N3.2ClH/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24;;/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3;2*1H/t16-,17+;;",ZWHRZGHGYMUSRM-VWDRLOGHSA-N,C21H29Cl2N3,394.4,393.1738533,,20.2,380,0,3,2,4,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Naphtho(2,1-b)furan, 7-methoxy-2-nitro-",75965-74-1,53424,7-methoxy-2-nitrobenzo[e][1]benzofuran,COC1=CC2=C(C=C1)C3=C(C=C2)OC(=C3)[N+](=O)[O-],"InChI=1S/C13H9NO4/c1-17-9-3-4-10-8(6-9)2-5-12-11(10)7-13(18-12)14(15)16/h2-7H,1H3",BRRIJZQYTOFDAF-UHFFFAOYSA-N,C13H9NO4,243.21,243.0531578,3.7,68.2,329,0,0,4,1,18,,,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Pyrimidine, 2-((1-benzyl-4-piperidyl)amino)-",76167-42-5,3059129,N-(1-benzylpiperidin-4-yl)pyrimidin-2-amine,C1CN(CCC1NC2=NC=CC=N2)CC3=CC=CC=C3,"InChI=1S/C16H20N4/c1-2-5-14(6-3-1)13-20-11-7-15(8-12-20)19-16-17-9-4-10-18-16/h1-6,9-10,15H,7-8,11-13H2,(H,17,18,19)",OATGOOHGVPUVME-UHFFFAOYSA-N,C16H20N4,268.36,268.1687967,2.6,41.1,264,0,1,4,4,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,6-Heptadienamide, 7-(2'-(1,6-dimethyl-2,4-heptadienyl)(2,4'-bithiazol)-4-yl)-3,5-dimethoxy-4-methyl-",76706-55-3,10972974,"(2E,4R,5S,6E)-3,5-dimethoxy-4-methyl-7-[2-[2-[(2S,3E,5E)-7-methylocta-3,5-dien-2-yl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]hepta-2,6-dienamide",C[C@@H](/C=C/C=C/C(C)C)C1=NC(=CS1)C2=NC(=CS2)/C=C/[C@@H]([C@@H](C)/C(=C\C(=O)N)/OC)OC,"InChI=1S/C25H33N3O3S2/c1-16(2)9-7-8-10-17(3)24-28-20(15-33-24)25-27-19(14-32-25)11-12-21(30-5)18(4)22(31-6)13-23(26)29/h7-18,21H,1-6H3,(H2,26,29)/b9-7+,10-8+,12-11+,22-13+/t17-,18+,21-/m0/s1",XKTFQMCPGMTBMD-FYHMSGCOSA-N,C25H33N3O3S2,487.7,487.1963343,4.8,144,738,0,1,7,12,33,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5H-Dibenzo(a,d)cyclohepten-5,10-imine, 10,11-dihydro-5-methyl-, (5S)-, (Z)-2-butenedioate (1:1)",77086-22-7,6420042,"(Z)-but-2-enedioic acid;(1S,9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene",C[C@@]12C3=CC=CC=C3C[C@@H](N1)C4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C16H15N.C4H4O4/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16;5-3(6)1-2-4(7)8/h2-9,15,17H,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-,16+;/m1./s1",QLTXKCWMEZIHBJ-PJGJYSAQSA-N,C20H19NO4,337.4,337.1314081,,86.6,432,0,3,5,2,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,1,1
"Morpholine, 2,6-dimethyl-4-(p-chlorocarbanilino)-",77280-30-9,98721,"N-(4-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide",CC1CN(CC(O1)C)C(=O)NC2=CC=C(C=C2)Cl,"InChI=1S/C13H17ClN2O2/c1-9-7-16(8-10(2)18-9)13(17)15-12-5-3-11(14)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,15,17)",GCBXVGDTMAULPU-UHFFFAOYSA-N,C13H17ClN2O2,268.74,268.0978555,2.2,41.6,283,0,1,2,1,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, N-(2,6-dimethylphenyl)-2-methoxy-N-(2-oxo-3-oxazolidinyl)-",77732-09-3,53735,"N-(2,6-dimethylphenyl)-2-methoxy-N-(2-oxo-1,3-oxazolidin-3-yl)acetamide",CC1=C(C(=CC=C1)C)N(C(=O)COC)N2CCOC2=O,"InChI=1S/C14H18N2O4/c1-10-5-4-6-11(2)13(10)16(12(17)9-19-3)15-7-8-20-14(15)18/h4-6H,7-9H2,1-3H3",UWVQIROCRJWDKL-UHFFFAOYSA-N,C14H18N2O4,278.3,278.1266571,1.8,59.1,364,0,0,4,3,20,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"beta-D-Glucopyranoside, (3-beta,12-beta)-12,20-dihydroxydammar-24-en-3-yl",78214-33-2,119307,"(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol",CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O)C)O)C,"InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,42)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(32(3,4)24(33)12-17-34(25,35)6)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36-/m0/s1",CKUVNOCSBYYHIS-IRFFNABBSA-N,C36H62O8,622.9,622.4444689,5.6,140,1070,0,6,8,7,44,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Norcarane-2-amine, hydrochloride, (Z)-",78293-44-4,3060811,bicyclo[4.1.0]heptan-2-amine;hydrochloride,C1CC2CC2C(C1)N.Cl,"InChI=1S/C7H13N.ClH/c8-7-3-1-2-5-4-6(5)7;/h5-7H,1-4,8H2;1H",WCVFUHDAUIXONO-UHFFFAOYSA-N,C7H14ClN,147.64,147.0814771,,26,101,0,2,1,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(3H)-Furanone, dihydro-3,4-bis((3-hydroxyphenyl)methyl)-, (3R,4R)-rel-",78473-71-9,114739,"(3S,4S)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one",C1[C@H]([C@@H](C(=O)O1)CC2=CC(=CC=C2)O)CC3=CC(=CC=C3)O,"InChI=1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2/t14-,17+/m1/s1",HVDGDHBAMCBBLR-PBHICJAKSA-N,C18H18O4,298.3,298.1205091,3.3,66.8,383,0,2,4,4,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Olean-12-en-28-oic acid, 3-(beta-D-glucopyranosyloxy)-2,16,23,24-tetrahydroxy-, O-beta-D-xylopyranosyl-(1-4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl ester, (2-beta,3-beta,16-alpha)-",78763-58-3,70698266,"[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate",C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2OC(=O)[C@]34CCC(C[C@H]3C5=CC[C@H]6[C@]([C@@]5(C[C@H]4O)C)(CC[C@@H]7[C@@]6(C[C@@H]([C@@H](C7(CO)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)(C)C)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O,"InChI=1S/C52H84O24/c1-21-39(73-42-36(65)31(60)25(57)17-69-42)35(64)38(67)43(71-21)74-40-32(61)26(58)18-70-45(40)76-46(68)52-12-11-47(2,3)13-23(52)22-7-8-28-48(4)14-24(56)41(75-44-37(66)34(63)33(62)27(16-53)72-44)51(19-54,20-55)29(48)9-10-49(28,5)50(22,6)15-30(52)59/h7,21,23-45,53-67H,8-20H2,1-6H3/t21-,23-,24-,25+,26-,27+,28+,29+,30+,31-,32-,33+,34-,35-,36+,37+,38+,39-,40+,41-,42-,43-,44-,45-,48+,49+,50+,52+/m0/s1",HCKUIVZXCXTBEH-PSRBGVDOSA-N,C52H84O24,1093.2,1092.535254,-2.5,394,2100,0,15,24,12,76,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"10H-Naphth(2,1-e)indol-10-one, 2-amino-3,3a,3b,4,5,5a,6,7,8,9,9a,9b,11,11a-tetradecahydro-7-hydroxy-9a,11a-dimethyl-, (3aS,3bS,5aR,7R,9aS,9bS,11aS)-",78774-26-2,119544,"(3aS,3bS,5aR,7R,9aS,9bS,11aS)-2-amino-7-hydroxy-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,7,8,9,9b,11-dodecahydronaphtho[2,1-e]indol-10-one",C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC(=N4)N)C)O,"InChI=1S/C18H28N2O2/c1-17-6-5-11(21)7-10(17)3-4-12-13-8-15(19)20-18(13,2)9-14(22)16(12)17/h10-13,16,21H,3-9H2,1-2H3,(H2,19,20)/t10-,11-,12+,13+,16-,17+,18+/m1/s1",LLAKESJIQFAQJA-NJYPJRCCSA-N,C18H28N2O2,304.4,304.2150781,1,75.7,545,0,2,3,0,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-Imidazole-2-thione, 1,3-dihydro-1,4-diphenyl-",79220-94-3,736689,"3,5-diphenyl-1H-imidazole-2-thione",C1=CC=C(C=C1)C2=CN(C(=S)N2)C3=CC=CC=C3,"InChI=1S/C15H12N2S/c18-15-16-14(12-7-3-1-4-8-12)11-17(15)13-9-5-2-6-10-13/h1-11H,(H,16,18)",QKOAQVKXZJFMET-UHFFFAOYSA-N,C15H12N2S,252.3,252.0721196,3.1,47.4,338,0,1,1,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-Thiophenecarboxylic acid, 3-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-, methyl ester",79277-27-3,73674,"methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate",CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC,"InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)",AHTPATJNIAFOLR-UHFFFAOYSA-N,C12H13N5O6S2,387.4,387.0307255,1.6,186,597,0,2,10,6,25,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"L-Cysteinamide, D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-(2-hydroxy-1-(hydroxymethyl)propyl)-, cyclic(2-7)-disulfide, (R-(R*,R*))-, acetate (salt)",79517-01-4,155804637,"acetic acid;(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide",C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)[C@@H](CC5=CC=CC=C5)N)C(=O)N[C@H](CO)[C@@H](C)O)O.CC(=O)O.CC(=O)O,"InChI=1S/C49H66N10O10S2.2C2H4O2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41;2*1-2(3)4/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64);2*1H3,(H,3,4)/t28-,29-,34-,36+,37+,38-,39-,40+,41+,42+;;/m1../s1",QWFYIFWTVZFPRY-LODIGNQBSA-N,C53H74N10O14S2,1139.3,1138.482739,,457,1780,0,15,18,17,79,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzamide, N,N'-((2,6-pyridylidene)dimethylene)bis(3,4,5-trimethoxy-",80197-28-0,54546,"3,4,5-trimethoxy-N-[[6-[[(3,4,5-trimethoxybenzoyl)amino]methyl]-2-pyridinyl]methyl]benzamide",COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=NC(=CC=C2)CNC(=O)C3=CC(=C(C(=C3)OC)OC)OC,"InChI=1S/C27H31N3O8/c1-33-20-10-16(11-21(34-2)24(20)37-5)26(31)28-14-18-8-7-9-19(30-18)15-29-27(32)17-12-22(35-3)25(38-6)23(13-17)36-4/h7-13H,14-15H2,1-6H3,(H,28,31)(H,29,32)",DMBWRYJLADYFQW-UHFFFAOYSA-N,C27H31N3O8,525.5,525.211115,2.3,126,657,0,2,9,12,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Erythromycin, 9-O-((2-methoxyethoxy)methyl)oxime",80214-83-1,6915744,"(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one",CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O,"InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1",RXZBMPWDPOLZGW-XMRMVWPWSA-N,C41H76N2O15,837,836.5245697,3.1,217,1310,0,5,17,13,58,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Chromone, 6-ethyl-7-hydroxy-3-(2-methylthiazol-4-yl)-, acetate (ester)",80761-86-0,854582,"[6-ethyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl] acetate",CCC1=CC2=C(C=C1OC(=O)C)OC=C(C2=O)C3=CSC(=N3)C,"InChI=1S/C17H15NO4S/c1-4-11-5-12-16(6-15(11)22-10(3)19)21-7-13(17(12)20)14-8-23-9(2)18-14/h5-8H,4H2,1-3H3",OZPWUAPSQDPYDZ-UHFFFAOYSA-N,C17H15NO4S,329.4,329.0721791,3.2,93.7,521,0,0,6,4,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, 4-amino-5-chloro-N-(1-(3-(4-fluorophenoxy)propyl)-3-methoxy-4-piperidinyl)-2-methoxy-, monohydrate, cis-",81098-60-4,6917698,"4-amino-5-chloro-N-[(3S,4R)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide",CO[C@H]1CN(CC[C@H]1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCOC3=CC=C(C=C3)F,"InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)/t20-,22+/m1/s1",DCSUBABJRXZOMT-IRLDBZIGSA-N,C23H29ClFN3O4,465.9,465.1830623,3.4,86.1,581,0,2,7,9,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, phenylmethyl ester, (+-)-",81110-73-8,107751,benzyl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate,CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)OCC2=CC=CC=C2,"InChI=1S/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)",ODUOJXZPIYUATO-UHFFFAOYSA-N,C21H23NO4S,385.5,385.1347794,3.3,97.8,485,0,1,5,11,27,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-1-Benzopyran-7-ol, 3-(4-hydroxyphenyl)-",81267-65-4,219100,3-(4-hydroxyphenyl)-2H-chromen-7-ol,C1C(=CC2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)O,"InChI=1S/C15H12O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-8,16-17H,9H2",ZZUBHVMHNVYXRR-UHFFFAOYSA-N,C15H12O3,240.25,240.0786442,2.7,49.7,318,0,2,3,1,18,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Quinolinecarboxylic acid, 2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-",81335-37-7,54739,2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid,CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C,"InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)",CABMTIJINOIHOD-UHFFFAOYSA-N,C17H17N3O3,311.33,311.1269914,2.5,91.7,545,0,2,5,3,23,,,1,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"7H-(1,3)Dioxino(5'',4'':2',3')oxireno(4',4'a)(1)benzopyrano(5',6':6,7)indeno(1,2-b)isobenzofuro(5,6-e)indol-13(8H)-one, 1,4a,4b,5b,6,7a,9,9a,10,12,12a,16,16b,16c,17,18,18a,19a-octadecahydro-5b-hydroxy-1,1,10,10,12,12,16b,16c-octamethyl-3-(2-methyl-1-propenyl)-, (3S,4aR,4bR,5aS,5bS,7aS,9aR,12aR,16bS,16cR,18aS,19aS)-",81771-19-9,11947793,"(1S,9R,13R,19S,22S,23S,25R,26R,28S,31S,33S,36R)-22-hydroxy-1,10,10,12,12,30,30,36-octamethyl-28-(2-methylprop-1-enyl)-11,24,27,29,32-pentaoxa-3-azadecacyclo[17.17.0.02,17.04,16.07,15.09,13.022,36.023,25.023,33.026,31]hexatriaconta-2(17),4(16),5,7(15)-tetraen-8-one",CC(=C[C@H]1O[C@H]2[C@@H]3[C@@]4(O3)[C@H](CC[C@]5([C@]4(CC[C@@H]6[C@@]5(C7=C(C6)C8=C(N7)C=CC9=C8C[C@@H]3[C@@H](C9=O)C(OC3(C)C)(C)C)C)O)C)O[C@@H]2C(O1)(C)C)C,"InChI=1S/C42H55NO7/c1-20(2)17-28-47-32-34(38(7,8)48-28)46-27-14-15-39(9)40(10)21(13-16-41(39,45)42(27)35(32)49-42)18-24-29-23-19-25-30(37(5,6)50-36(25,3)4)31(44)22(23)11-12-26(29)43-33(24)40/h11-12,17,21,25,27-28,30,32,34-35,43,45H,13-16,18-19H2,1-10H3/t21-,25+,27-,28-,30-,32+,34-,35+,39+,40+,41-,42-/m0/s1",HGBZMCXKHKZYBF-WZGHVFPCSA-N,C42H55NO7,685.9,685.3978531,5.8,103,1530,0,2,7,1,50,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, (((1R,2R,3aS,9aS)-2,3,3a,4,9,9a-hexahydro-2-hydroxy-1-((3S)-3-hydroxyoctyl)-1H-benz(f)inden-5-yl)oxy)-",81846-19-7,6918140,"2-[[(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid",CCCCC[C@@H](CC[C@H]1[C@@H](C[C@H]2[C@@H]1CC3=C(C2)C(=CC=C3)OCC(=O)O)O)O,"InChI=1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1",PAJMKGZZBBTTOY-ZFORQUDYSA-N,C23H34O5,390.5,390.2406242,4.5,87,495,0,3,5,10,28,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,1
"1H-Indole, 4-(3-piperidinyl)-, (+-)-",81887-47-0,3067718,4-piperidin-3-yl-1H-indole,C1CC(CNC1)C2=C3C=CNC3=CC=C2,"InChI=1S/C13H16N2/c1-4-11(10-3-2-7-14-9-10)12-6-8-15-13(12)5-1/h1,4-6,8,10,14-15H,2-3,7,9H2",JWMGZQMVMZBMFM-UHFFFAOYSA-N,C13H16N2,200.28,200.1313485,2.2,27.8,217,0,2,1,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Thiazolidineacetic acid, 5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-, (E,E)-",82159-09-9,1549120,"2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid",C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)O,"InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-",CHNUOJQWGUIOLD-NFZZJPOKSA-N,C15H13NO3S2,319.4,319.0336856,3.8,115,519,0,1,5,4,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Furo(3,4-c)pyridin-7-ol, 3-(4-chlorophenyl)-1,3-dihydro-6-methyl-, hydrochloride",82747-56-6,54909,"3-(4-chlorophenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol;hydrochloride",CC1=NC=C2C(OCC2=C1O)C3=CC=C(C=C3)Cl.Cl,"InChI=1S/C14H12ClNO2.ClH/c1-8-13(17)12-7-18-14(11(12)6-16-8)9-2-4-10(15)5-3-9;/h2-6,14,17H,7H2,1H3;1H",QLMBAIRFQQLJJX-UHFFFAOYSA-N,C14H13Cl2NO2,298.2,297.032334,,42.4,294,0,2,3,1,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-5-ethyl-4-(2-phenoxyethyl)-, monohydrochloride",82752-99-6,54911,"2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one;hydrochloride",CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl.Cl,"InChI=1S/C25H32ClN5O2.ClH/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22;/h3-6,8-11,20H,2,7,12-19H2,1H3;1H",DYCKFEBIOUQECE-UHFFFAOYSA-N,C25H33Cl2N5O2,506.5,505.2011307,,51.6,649,0,1,5,10,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propanedioic acid, compd. with (+-)-2-((1,1-dimethylethyl)amino)-1-(((2-methyl-1H-indol-4-yl)oxy)methyl)ethyl benzoate (1:1)",82857-38-3,636368,[1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl] benzoate;propanedioic acid,CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C3=CC=CC=C3.C(C(=O)O)C(=O)O,"InChI=1S/C23H28N2O3.C3H4O4/c1-16-13-19-20(25-16)11-8-12-21(19)27-15-18(14-24-23(2,3)4)28-22(26)17-9-6-5-7-10-17;4-2(5)1-3(6)7/h5-13,18,24-25H,14-15H2,1-4H3;1H2,(H,4,5)(H,6,7)",LDOONRJGLKHGJI-UHFFFAOYSA-N,C26H32N2O7,484.5,484.2209514,,138,582,0,4,8,11,35,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-Ethanediamine, N,N'-bis(diphenylmethyl)-, dihydrochloride",83027-13-8,11698390,"N,N'-dibenzhydrylethane-1,2-diamine;dihydrochloride",C1=CC=C(C=C1)C(C2=CC=CC=C2)NCCNC(C3=CC=CC=C3)C4=CC=CC=C4.Cl.Cl,"InChI=1S/C28H28N2.2ClH/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)29-21-22-30-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;;/h1-20,27-30H,21-22H2;2*1H",YRQCDCNQANSUPB-UHFFFAOYSA-N,C28H30Cl2N2,465.5,464.1786044,,24.1,362,0,4,2,9,32,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Imidazole, 1-(2-(2-(4-chlorophenoxy)ethoxy)-2-(2,4-dichlorophenyl)-1-methylethenyl)-, (Z)-,mononitrate",83621-06-1,3036590,"1-[(Z)-1-[2-(4-chlorophenoxy)ethoxy]-1-(2,4-dichlorophenyl)prop-1-en-2-yl]imidazole;nitric acid",C/C(=C(\C1=C(C=C(C=C1)Cl)Cl)/OCCOC2=CC=C(C=C2)Cl)/N3C=CN=C3.[N+](=O)(O)[O-],"InChI=1S/C20H17Cl3N2O2.HNO3/c1-14(25-9-8-24-13-25)20(18-7-4-16(22)12-19(18)23)27-11-10-26-17-5-2-15(21)3-6-17;2-1(3)4/h2-9,12-13H,10-11H2,1H3;(H,2,3,4)/b20-14-;",BNDOPUYTWJQTOE-VSOKSMTPSA-N,C20H18Cl3N3O5,486.7,485.031204,,102,522,0,1,6,7,31,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Pyrimidinamine, 1,6-dihydro-6-imino-4-(1-piperidinyl)-1-(sulfooxy)-",83701-22-8,138113345,(2-amino-6-imino-4-piperidin-1-ylpyrimidin-1-yl) hydrogen sulfate,C1CCN(CC1)C2=CC(=N)N(C(=N2)N)OS(=O)(=O)O,"InChI=1S/C9H15N5O4S/c10-7-6-8(13-4-2-1-3-5-13)12-9(11)14(7)18-19(15,16)17/h6,10H,1-5H2,(H2,11,12)(H,15,16,17)",KVOZMWUBYWDGEX-UHFFFAOYSA-N,C9H15N5O4S,289.31,289.0844752,-0.7,141,529,0,3,7,3,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-Naphtho(2,1-c)pyran-7-carboxylic acid, 9-(acetyloxy)-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-, methyl ester, (2S,4aR,6aR,7R,9S,10aS,10bR)-",83729-01-5,128563,"methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-acetyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate",CC(=O)O[C@H]1C[C@H]([C@@]2(CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]2C1=O)C)C4=COC=C4)C)C(=O)OC,"InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1",OBSYBRPAKCASQB-AGQYDFLVSA-N,C23H28O8,432.5,432.1784179,2.5,109,792,0,0,8,5,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Olean-12-en-29-oic acid, 3,22-dihydroxy-, gamma-lactone, (3-beta,20-alpha,22-alpha)-",84104-71-2,158477,"(1S,2R,5S,6R,9R,11S,14R,15R,19S,21S)-11-hydroxy-2,5,6,10,10,14,21-heptamethyl-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-22-one",C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4C[C@]6(C[C@@H]5OC6=O)C)C)C)C)(C)C)O,"InChI=1S/C30H46O3/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3)17-23(33-24(26)32)27(19,4)14-15-29(18,30)6/h8,19-23,31H,9-17H2,1-7H3/t19-,20-,21+,22-,23-,26-,27+,28-,29+,30+/m0/s1",HHQJBWYXBWOFJY-YLXTXNMFSA-N,C30H46O3,454.7,454.3446953,6.9,46.5,935,0,1,3,0,33,,,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1H-Indole, 7-(1-piperazinyl)-",84807-10-3,3069502,7-piperazin-1-yl-1H-indole,C1CN(CCN1)C2=CC=CC3=C2NC=C3,"InChI=1S/C12H15N3/c1-2-10-4-5-14-12(10)11(3-1)15-8-6-13-7-9-15/h1-5,13-14H,6-9H2",XKDAUEWDPSMDGG-UHFFFAOYSA-N,C12H15N3,201.27,201.1265975,1.5,31.1,213,0,2,2,1,15,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"Urea, N-(4-fluorophenyl)-N'-(5-methyl-3-isoxazolyl)-",84882-78-0,99331,"1-(4-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea",CC1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)F,"InChI=1S/C11H10FN3O2/c1-7-6-10(15-17-7)14-11(16)13-9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,14,15,16)",WAKQZUJXHQHOEF-UHFFFAOYSA-N,C11H10FN3O2,235.21,235.0757047,1.8,67.2,269,0,2,4,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Oxazolamine, 4,5-dihydro-N-(dicyclopropylmethyl)-, phosphate (1:1)",85409-38-7,198614,"N-(dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine;phosphoric acid",C1CC1C(C2CC2)NC3=NCCO3.OP(=O)(O)O,"InChI=1S/C10H16N2O.H3O4P/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10;1-5(2,3)4/h7-9H,1-6H2,(H,11,12);(H3,1,2,3,4)",ZJCOWRFWZOAVFY-UHFFFAOYSA-N,C10H19N2O5P,278.24,278.1031587,,111,269,0,4,6,4,18,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"1H-1,2,4-Triazole, 1-((bis(4-fluorophenyl)methylsilyl)methyl)-",85509-19-9,73675,"bis(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane",C[Si](CN1C=NC=N1)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F,"InChI=1S/C16H15F2N3Si/c1-22(12-21-11-19-10-20-21,15-6-2-13(17)3-7-15)16-8-4-14(18)5-9-16/h2-11H,12H2,1H3",FQKUGOMFVDPBIZ-UHFFFAOYSA-N,C16H15F2N3Si,315.39,315.1003304,,30.7,333,0,0,4,4,22,,,0,0,0,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Imidazo(5,1-d)(1,2,3,5)tetrazine-8-carboxamide, 3,4-dihydro-3-methyl-4-oxo-",85622-93-1,5394,"3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide",CN1C(=O)N2C=NC(=C2N=N1)C(=O)N,"InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)",BPEGJWRSRHCHSN-UHFFFAOYSA-N,C6H6N6O2,194.15,194.0552235,-1.1,106,315,0,1,5,1,14,,,0,0,0,1,0,1,0,1,0,0,1,0,0,1,0,0,1,0,1,1
"Pyrazino(2,1-a)pyrido(2,3-c)(2)benzazepine, 1,2,3,4,10,14b-hexahydro-2-methyl-",85650-52-8,4205,"5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene",CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4,"InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3",RONZAEMNMFQXRA-UHFFFAOYSA-N,C17H19N3,265.35,265.1578976,3.3,19.4,345,0,0,3,0,20,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,1
"Pyrrolo(3,4-c)carbazol-5-one, 6,7,12,13-tetrahydro-5H-indolo(2,3-a)-",85753-43-1,3815,"3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one",C1C2=C3C4=CC=CC=C4NC3=C5C(=C2C(=O)N1)C6=CC=CC=C6N5,"InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)",MEXUTNIFSHFQRG-UHFFFAOYSA-N,C20H13N3O,311.3,311.105862,3.7,60.7,551,0,3,1,0,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(((5-(carboxymethyl)-4-methyl-2-thiazolyl)thio)methyl)-8-oxo-, disodium salt, (6R-(6-alpha,7-beta(Z)))-",86329-79-5,9852176,"disodium;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[5-(carboxylatomethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",CC1=C(SC(=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-])CC(=O)[O-].[Na+].[Na+],"InChI=1S/C20H20N6O7S4.2Na/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9;;/h6,13,17H,3-5H2,1-2H3,(H2,21,23)(H,24,29)(H,27,28)(H,31,32);;/q;2*+1/p-2/b25-12-;;/t13-,17-;;/m1../s1",WBOBLQIRACJNPA-AEKYOGSZSA-L,C20H18N6Na2O7S4,628.6,627.9915202,,310,1020,0,2,15,8,39,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0
"3-Quinolinecarboxylic acid, 1,4-dihydro-7-chloro-1-cyclopropyl-6-fluoro-4-oxo-",86393-33-1,483180,7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid,C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)Cl)F)C(=O)O,"InChI=1S/C13H9ClFNO3/c14-9-4-11-7(3-10(9)15)12(17)8(13(18)19)5-16(11)6-1-2-6/h3-6H,1-2H2,(H,18,19)",ISPVACVJFUIDPD-UHFFFAOYSA-N,C13H9ClFNO3,281.66,281.025499,2.4,57.6,463,0,1,5,2,19,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenanthro(1,2-b)furan-10,11-dione, 1,2-dihydro-1,6-dimethyl-, (-)-",87205-99-0,11425923,"(1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-dione",C[C@H]1COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C,"InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1",HARGZZNYNSYSGJ-JTQLQIEISA-N,C18H14O3,278.3,278.0942943,3.2,43.4,533,0,0,3,0,21,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Glycine, N-((1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)acetyl)-, 2-methoxyphenyl ester",87344-06-7,65655,(2-methoxyphenyl) 2-[[2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetyl]amino]acetate,CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)NCC(=O)OC3=CC=CC=C3OC,"InChI=1S/C24H24N2O5/c1-16-8-10-17(11-9-16)24(29)19-13-12-18(26(19)2)14-22(27)25-15-23(28)31-21-7-5-4-6-20(21)30-3/h4-13H,14-15H2,1-3H3,(H,25,27)",CWJNMKKMGIAGDK-UHFFFAOYSA-N,C24H24N2O5,420.5,420.1685219,4,86.6,631,0,1,5,9,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Furancarboxylic acid, 2-((3-((3,3-dimethyloxiranyl)methyl)-4-hydroxyphenyl)methyl)-2,5-dihydro-4-hydroxy-3-(4-hydroxyphenyl)-5-oxo-, methyl ester, (2R)-",87414-45-7,10003354,"methyl (2R)-2-[[3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl]methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate",CC1(C(O1)CC2=C(C=CC(=C2)C[C@@]3(C(=C(C(=O)O3)O)C4=CC=C(C=C4)O)C(=O)OC)O)C,"InChI=1S/C24H24O8/c1-23(2)18(31-23)11-15-10-13(4-9-17(15)26)12-24(22(29)30-3)19(20(27)21(28)32-24)14-5-7-16(25)8-6-14/h4-10,18,25-27H,11-12H2,1-3H3/t18?,24-/m1/s1",FWHAYHIGJSFGKO-VCUSLETLSA-N,C24H24O8,440.4,440.1471177,3,126,781,0,3,8,7,32,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propanamide, 2-amino-N-((6,7,9,10,13,14,14a,15-octahydro-1,7-dihydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5H-isoquino(3,2-b)(3)benzazocin-9-yl)methyl)-",87578-99-2,160294,"(2S)-2-amino-N-[[(1S,2S,10R,12S,13R)-12,19-dihydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),16,18-pentaen-10-yl]methyl]propanamide",CC1=CC2=C([C@H]3[C@@H]4CC5=C([C@@H](N4[C@H]([C@@H](C2)N3C)O)CNC(=O)[C@H](C)N)C(=O)C(=C(C5=O)C)OC)C(=C1OC)O,"InChI=1S/C28H36N4O7/c1-11-7-14-8-17-28(37)32-16(21(31(17)4)19(14)23(34)25(11)38-5)9-15-20(18(32)10-30-27(36)13(3)29)24(35)26(39-6)12(2)22(15)33/h7,13,16-18,21,28,34,37H,8-10,29H2,1-6H3,(H,30,36)/t13-,16-,17+,18-,21+,28-/m0/s1",GKUZBRIJGIGFKC-XPXFATIHSA-N,C28H36N4O7,540.6,540.2583995,0.3,155,1120,0,4,10,5,39,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Tricyclo(3.3.1.1(sup 3.7))decan-2-amine, N-(4-bromophenyl)-",87913-26-6,4660557,N-(4-bromophenyl)adamantan-2-amine,C1C2CC3CC1CC(C2)C3NC4=CC=C(C=C4)Br,"InChI=1S/C16H20BrN/c17-14-1-3-15(4-2-14)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2",LWJALJDRFBXHKX-UHFFFAOYSA-N,C16H20BrN,306.24,305.07791,5,12,280,0,1,1,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrrolizine-7a(5H)-acetamide, tetrahydro-N-(2,6-dimethylphenyl)-, hydrochloride,hydrate (2:2:1)",88069-49-2,114817,"N-(2,6-dimethylphenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide;hydrochloride",CC1=C(C(=CC=C1)C)NC(=O)CC23CCCN2CCC3.Cl,"InChI=1S/C17H24N2O.ClH/c1-13-6-3-7-14(2)16(13)18-15(20)12-17-8-4-10-19(17)11-5-9-17;/h3,6-7H,4-5,8-12H2,1-2H3,(H,18,20);1H",NZOSVDHCTCLGEB-UHFFFAOYSA-N,C17H25ClN2O,308.8,308.1655411,,32.3,348,0,2,2,3,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanone, 1-(2-hydroxy-3-propyl-4-(4-(1H-tetrazol-5-yl)butoxy)phenyl)-",88107-10-2,3969,1-[2-hydroxy-3-propyl-4-[4-(2H-tetrazol-5-yl)butoxy]phenyl]ethanone,CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC2=NNN=N2,"InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)",MWYHLEQJTQJHSS-UHFFFAOYSA-N,C16H22N4O3,318.37,318.1691906,3.7,101,369,0,2,6,9,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanone, 1-(2,4-dichlorophenyl)-2-(3-pyridinyl)-, O-methyloxime",88283-41-4,55790,"1-(2,4-dichlorophenyl)-N-methoxy-2-pyridin-3-ylethanimine",CON=C(CC1=CN=CC=C1)C2=C(C=C(C=C2)Cl)Cl,"InChI=1S/C14H12Cl2N2O/c1-19-18-14(7-10-3-2-6-17-9-10)12-5-4-11(15)8-13(12)16/h2-6,8-9H,7H2,1H3",CKPCAYZTYMHQEX-UHFFFAOYSA-N,C14H12Cl2N2O,295.2,294.0326684,2.5,34.5,312,0,0,3,4,19,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Oxacyclohexadeca-3,5,11,13-tetraen-2-one, 8-hydroxy-16-((1S,2R,3S)-2-hydroxy-1-methyl-3-((2R,4R,5S,6R)-tetrahydro-2,4-dihydroxy-5-methyl-6-(1-methylethyl)-2H-pyran-2-yl)butyl)-3,15-dimethoxy-5,7,9,11-tetramethyl-, (3Z,5E,7R,8S,9S,11E,13E,15S,16R)-",88899-55-2,6436223,"(3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dihydroxy-5-methyl-6-propan-2-yloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one",C[C@H]1C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)C(C)C)C)O)O)O)OC)/C,"InChI=1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)15-22(5)30(37)23(6)16-21(4)17-29(42-11)34(39)43-33/h12-14,16-17,19,22-28,30-33,36-38,40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,29-17-/t22-,23+,24-,25-,26-,27+,28-,30-,31+,32+,33+,35+/m0/s1",XDHNQDDQEHDUTM-JQWOJBOSSA-N,C35H58O9,622.8,622.4080834,6,135,1060,0,4,9,7,44,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hygrolidin, 37-decarboxy-2-demethyl-37-(((2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino)carbonyl)-2-methoxy-24-methyl-",88899-56-3,13375090,"[2-hydroxy-2-[3-hydroxy-4-[(4E,6E,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl] (E)-4-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-4-oxobut-2-enoate",CC1C/C(=C/C=C/C(C(OC(=O)/C(=C/C(=C/C(C1O)C)/C)/OC)C(C)C(C(C)C2(CC(C(C(O2)C(C)C)C)OC(=O)/C=C/C(=O)NC3=C(CCC3=O)O)O)O)OC)/C,"InChI=1S/C44H65NO13/c1-23(2)41-28(7)35(56-37(49)18-17-36(48)45-38-31(46)15-16-32(38)47)22-44(53,58-41)30(9)40(51)29(8)42-33(54-10)14-12-13-24(3)19-26(5)39(50)27(6)20-25(4)21-34(55-11)43(52)57-42/h12-14,17-18,20-21,23,26-30,33,35,39-42,46,50-51,53H,15-16,19,22H2,1-11H3,(H,45,48)/b14-12+,18-17+,24-13+,25-20+,34-21-",KFUFLYSBMNNJTF-UNPKUBMASA-N,C44H65NO13,816,815.4455911,5.9,207,1670,0,5,13,12,58,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"beta-D-Glucopyranoside, (3-beta,9-beta,10-alpha,11-alpha,24R)-3-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-11,25-dihydroxy-9-methyl-19-norlanost-5-en-24-yl O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-6))-",88901-36-4,24721270,"(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol",C[C@H](CC[C@H](C(C)(C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[C@H]4CC[C@@]5([C@@]4(C[C@H]([C@@]6([C@H]5CC=C7[C@H]6CC[C@@H](C7(C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)C)O)C)C,"InChI=1S/C60H102O29/c1-23(9-13-35(57(4,5)79)88-55-50(89-54-49(78)43(72)38(67)29(20-63)84-54)45(74)40(69)31(86-55)22-81-52-47(76)42(71)37(66)28(19-62)83-52)24-15-16-58(6)32-12-10-25-26(60(32,8)33(64)17-59(24,58)7)11-14-34(56(25,2)3)87-53-48(77)44(73)39(68)30(85-53)21-80-51-46(75)41(70)36(65)27(18-61)82-51/h10,23-24,26-55,61-79H,9,11-22H2,1-8H3/t23-,24-,26-,27-,28-,29-,30-,31-,32+,33-,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46-,47-,48-,49-,50-,51-,52-,53+,54+,55+,58+,59-,60+/m1/s1",GHBNZZJYBXQAHG-KUVSNLSMSA-N,C60H102O29,1287.4,1286.650677,-3.7,477,2360,0,19,29,20,89,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Imidazole, 2-benzofuran-2-yl-4,5-dihydro-, hydrochloride",89196-95-2,45073465,"2-(1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride",C1CN=C(N1)C2=CC3=CC=CC=C3O2.Cl,"InChI=1S/C11H10N2O.ClH/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11;/h1-4,7H,5-6H2,(H,12,13);1H",RFNFFVDVGWOSNZ-UHFFFAOYSA-N,C11H11ClN2O,222.67,222.0559907,,37.5,252,0,2,2,1,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-3-hydroxy-4-(1-iminoethyl)-2-(1-methylethyl)-",89246-49-1,10284,2H-isoquinolin-1-one,C1=CC=C2C(=C1)C=CNC2=O,"InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)",VDBNYAPERZTOOF-UHFFFAOYSA-N,C9H7NO,145.16,145.0527638,1.3,29.1,198,0,1,1,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(dibutylamino)-3'-methyl-2'-(phenylamino)-",89331-94-2,3534526,"2'-anilino-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one",CCCCN(CCCC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=C(C(=C5)NC6=CC=CC=C6)C,"InChI=1S/C35H36N2O3/c1-4-6-19-37(20-7-5-2)26-17-18-29-33(22-26)39-32-21-24(3)31(36-25-13-9-8-10-14-25)23-30(32)35(29)28-16-12-11-15-27(28)34(38)40-35/h8-18,21-23,36H,4-7,19-20H2,1-3H3",XAAILNNJDMIMON-UHFFFAOYSA-N,C35H36N2O3,532.7,532.272593,8.7,50.8,836,0,1,5,9,40,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Benzenedimethanol, 4-hydroxy-alpha1-(((6-(4-phenylbutoxy)hexyl)amino)methyl)-, (+-)-",89365-50-4,5152,2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol,C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O,"InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2",GIIZNNXWQWCKIB-UHFFFAOYSA-N,C25H37NO4,415.6,415.2722587,3.9,82,403,0,4,5,16,30,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,0
"Olean-12-en-28-oic acid, 3-((O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-, (3-beta)-",89412-79-3,174742,"(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid",C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@H](CO[C@H]3O[C@H]4CC[C@]5([C@H](C4(C)C)CC[C@@]6([C@@H]5CC=C7[C@]6(CC[C@@]8([C@H]7CC(CC8)(C)C)C(=O)O)C)C)C)O)O)CO)O)O)O)O)O,"InChI=1S/C47H76O16/c1-22-30(50)33(53)35(55)38(59-22)62-37-34(54)32(52)26(20-48)60-40(37)63-36-31(51)25(49)21-58-39(36)61-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1",VQQGPFFHGWNIGX-PPCHTBMASA-N,C47H76O16,897.1,896.5133363,3.3,255,1720,0,9,16,8,63,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Benzimidazolinone, 1-(2-pyridyl)-",89659-86-9,24834853,3-pyridin-2-yl-1H-benzimidazol-2-one,C1=CC=C2C(=C1)NC(=O)N2C3=CC=CC=N3,"InChI=1S/C12H9N3O/c16-12-14-9-5-1-2-6-10(9)15(12)11-7-3-4-8-13-11/h1-8H,(H,14,16)",UNKBIBPHHBNVIJ-UHFFFAOYSA-N,C12H9N3O,211.22,211.0745619,1.6,45.2,281,0,1,2,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 1,2,3,6-tetrahydro-1-(2-(2-naphthalenyl)ethyl)-4-(3-(trifluoromethyl)phenyl)-,hydrochloride",90494-79-4,128918,"1-(2-naphthalen-2-ylethyl)-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride",C1CN(CC=C1C2=CC(=CC=C2)C(F)(F)F)CCC3=CC4=CC=CC=C4C=C3.Cl,"InChI=1S/C24H22F3N.ClH/c25-24(26,27)23-7-3-6-22(17-23)20-11-14-28(15-12-20)13-10-18-8-9-19-4-1-2-5-21(19)16-18;/h1-9,11,16-17H,10,12-15H2;1H",WVHBEIJGAINUBW-UHFFFAOYSA-N,C24H23ClF3N,417.9,417.1471119,,3.2,540,0,1,4,4,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Quinolinethiol, 2-methyl-",90945-94-1,940263,2-methyl-1H-quinoline-4-thione,CC1=CC(=S)C2=CC=CC=C2N1,"InChI=1S/C10H9NS/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h2-6H,1H3,(H,11,12)",FQKLIBNGRKRDCL-UHFFFAOYSA-N,C10H9NS,175.25,175.0455705,2.5,44.1,232,0,1,2,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,1
"5,8-Quinolinedione, 6-(phenylamino)-",91300-60-6,3976,"6-anilinoquinoline-5,8-dione",C1=CC=C(C=C1)NC2=CC(=O)C3=C(C2=O)C=CC=N3,"InChI=1S/C15H10N2O2/c18-13-9-12(17-10-5-2-1-3-6-10)15(19)11-7-4-8-16-14(11)13/h1-9,17H",GXIJYWUWLNHKNW-UHFFFAOYSA-N,C15H10N2O2,250.25,250.0742276,2.5,59.1,410,0,1,4,2,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Bicyclo(2.2.1)heptane-1-methanesulfonic acid, 3,3'-(1,4-phenylenedimethylidyne)bis(7,7-dimethyl-2-oxo-",92761-26-7,146382,"[3-[[4-[[7,7-dimethyl-3-oxo-4-(sulfomethyl)-2-bicyclo[2.2.1]heptanylidene]methyl]phenyl]methylidene]-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid",CC1(C2CCC1(C(=O)C2=CC3=CC=C(C=C3)C=C4C5CCC(C4=O)(C5(C)C)CS(=O)(=O)O)CS(=O)(=O)O)C,"InChI=1S/C28H34O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-22H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)",HEAHZSUCFKFERC-UHFFFAOYSA-N,C28H34O8S2,562.7,562.1695104,3.1,160,1230,0,2,8,6,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Morphinanium, 4,5-epoxy-3,14-dihydroxy-17-methyl-6-oxo-17-(2-propenyl)-, iodide, (5-alpha)-",93302-47-7,16219719,"(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one iodide",C[N+]1(CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)CC=C.[I-],"InChI=1S/C20H23NO4.HI/c1-3-9-21(2)10-8-19-16-12-4-5-13(22)17(16)25-18(19)14(23)6-7-20(19,24)15(21)11-12;/h3-5,15,18,24H,1,6-11H2,2H3;1H/t15-,18+,19+,20-,21?;/m1./s1",ICONPJDAXITIPI-UXYWFNEESA-N,C20H24INO4,469.3,469.07501,,66.8,637,0,2,5,2,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-Naphthalenedione, 2-(trans-4-(4-chlorophenyl)cyclohexyl)-3-hydroxy-",95233-18-4,74989,"3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthalene-1,2-dione",C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O,"InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,24H,5-8H2",BSJMWHQBCZFXBR-UHFFFAOYSA-N,C22H19ClO3,366.8,366.1022722,5.2,54.4,595,0,1,3,2,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyrrolidinone, 1-((1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-",95356-55-1,645891,"1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-one",C1CC(=O)N(C1)CC2=NC=NN2C3=CC=CC=C3,"InChI=1S/C13H14N4O/c18-13-7-4-8-16(13)9-12-14-10-15-17(12)11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9H2",VQUHWQZLHDKXLR-UHFFFAOYSA-N,C13H14N4O,242.28,242.1167611,1.1,51,303,0,0,3,3,18,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-methoxy-1-oxopropyl)-",95549-92-1,93514,"1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-methoxypropan-1-one",CC(C(=O)N1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC)OC,"InChI=1S/C18H25N5O4/c1-11(25-2)17(24)22-5-7-23(8-6-22)18-20-13-10-15(27-4)14(26-3)9-12(13)16(19)21-18/h9-11H,5-8H2,1-4H3,(H2,19,20,21)",YEOTYALSMRNXLJ-UHFFFAOYSA-N,C18H25N5O4,375.4,375.1906543,1.3,103,502,0,1,8,5,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pregna-4,17(20)-diene-3,16-dione",95975-55-6,6450278,"(8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione",C/C=C/1\C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,"InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1",WDXRGPWQVHZTQJ-OSJVMJFVSA-N,C21H28O2,312.4,312.2089301,3.9,34.1,640,0,0,2,0,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Anthracene-9,10-dione, 1,4-bis((4-hydroxyphenethyl)amino)-",96969-83-4,2817242,"1,4-bis[2-(4-hydroxyphenyl)ethylamino]anthracene-9,10-dione",C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCC4=CC=C(C=C4)O)NCCC5=CC=C(C=C5)O,"InChI=1S/C30H26N2O4/c33-21-9-5-19(6-10-21)15-17-31-25-13-14-26(32-18-16-20-7-11-22(34)12-8-20)28-27(25)29(35)23-3-1-2-4-24(23)30(28)36/h1-14,31-34H,15-18H2",UUJHFIBEJJLZBF-UHFFFAOYSA-N,C30H26N2O4,478.5,478.1892573,7.1,98.7,681,0,4,6,8,36,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Adenosine, 5'-((3-amino-3-carboxypropyl)methylsulfonio)-5'-deoxy-, (S)-,salt with 4-methylbenzenesulfonic acid, sulfate (salt) (1:1:2)",97540-22-2,45072193,"(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate;4-methylbenzenesulfonic acid;sulfuric acid",CC1=CC=C(C=C1)S(=O)(=O)O.C[S+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.OS(=O)(=O)O.OS(=O)(=O)O,"InChI=1S/C15H22N6O5S.C7H8O3S.2H2O4S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;1-6-2-4-7(5-3-6)11(8,9)10;2*1-5(2,3)4/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);2-5H,1H3,(H,8,9,10);2*(H2,1,2,3,4)/t7-,8+,10+,11+,14+,27?;;;/m0.../s1",XDCFCHNAIMYBAZ-XQVUROGGSA-N,C22H34N6O16S4,766.8,766.0914137,,415,815,0,9,21,7,48,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Aconitane-4,8,9-triol, 20-ethyl-1,14,16-trimethoxy-, 4-(2-(acetylamino)benzoate),monohydrobromide, (1-alpha,14-alpha,16-beta)-",97792-45-5,90479363,"[(1S,2S,3S,4S,5R,6S,8S,9S,10R,13S,16S,17S)-11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-acetamidobenzoate;hydrobromide",CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H]([C@H]31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@]5([C@H]6OC)O)OC)O)OC)OC(=O)C7=CC=CC=C7NC(=O)C.Br,"InChI=1S/C32H44N2O8.BrH/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5;/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35);1H/t19-,20+,22+,23-,24+,25+,26-,27+,29-,30+,31+,32+;/m1./s1",CFFYROOPXPKMEQ-IPZKEBFRSA-N,C32H45BrN2O8,665.6,664.23593,,127,1120,0,4,9,8,43,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"6H-Purin-6-one, 1,9-dihydro-2-amino-9-(4-hydroxy-3-(hydroxymethyl)butyl)-, monosodium salt",97845-62-0,76964038,sodium 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]purin-1-id-6-one,C1=NC2=C(N1CCC(CO)CO)N=C([N-]C2=O)N.[Na+],"InChI=1S/C10H15N5O3.Na/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17;/h5-6,16-17H,1-4H2,(H3,11,13,14,18);/q;+1/p-1",NMQFQBOIHUIALG-UHFFFAOYSA-M,C10H14N5NaO3,275.24,275.0994336,,115,350,0,3,6,5,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperazine, 1-(2,3-dihydro-1,4-benzodioxan-5-yl)-",98224-03-4,65853,"1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine",C1CN(CCN1)C2=C3C(=CC=C2)OCCO3,"InChI=1S/C12H16N2O2/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8-9-16-12/h1-3,13H,4-9H2",WVLHGCRWEHCIOT-UHFFFAOYSA-N,C12H16N2O2,220.27,220.1211778,1.1,33.7,231,0,1,4,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Morpholine, 2-((2-ethoxyphenoxy)phenylmethyl)-, (R*,R*)-, methanesulfonate",98769-82-5,127150,(2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid,CCOC1=CC=CC=C1O[C@@H]([C@H]2CNCCO2)C3=CC=CC=C3.CS(=O)(=O)O,"InChI=1S/C19H23NO3.CH4O3S/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18;1-5(2,3)4/h3-11,18-20H,2,12-14H2,1H3;1H3,(H,2,3,4)/t18-,19-;/m1./s1",CGTZMJIMMUNLQD-STYNFMPRSA-N,C20H27NO6S,409.5,409.1559088,,102,425,0,2,7,6,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"(1,2,4)Triazolo(1,5-a)pyrimidine-2-sulfonamide, N-(2,6-difluorophenyl)-5-methyl-",98967-40-9,91759,"N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide",CC1=NC2=NC(=NN2C=C1)S(=O)(=O)NC3=C(C=CC=C3F)F,"InChI=1S/C12H9F2N5O2S/c1-7-5-6-19-11(15-7)16-12(17-19)22(20,21)18-10-8(13)3-2-4-9(10)14/h2-6,18H,1H3",RXCPQSJAVKGONC-UHFFFAOYSA-N,C12H9F2N5O2S,325.3,325.044502,1.6,97.6,492,0,1,8,3,22,93 °C (199 °F),,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 5-amino-2,3'-oxydi-",99185-50-9,2800156,6-pyridin-3-yloxypyridin-3-amine,C1=CC(=CN=C1)OC2=NC=C(C=C2)N,"InChI=1S/C10H9N3O/c11-8-3-4-10(13-6-8)14-9-2-1-5-12-7-9/h1-7H,11H2",YGWSGSCQMYIFRQ-UHFFFAOYSA-N,C10H9N3O,187.2,187.0745619,1,61,177,0,1,4,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Naphthalenol, 5,6,7,8-tetrahydro-6-(propyl(2-(2-thienyl)ethyl)amino)-, (6S)-",99755-59-6,59227,"(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol",CCCN(CCC1=CC=CS1)[C@H]2CCC3=C(C2)C=CC=C3O,"InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1",KFQYTPMOWPVWEJ-INIZCTEOSA-N,C19H25NOS,315.5,315.1656856,4.9,51.7,337,0,1,3,6,22,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,1
"Benzenemethanol, 4-(2-(1H-imidazol-1-yl)ethoxy)-",100199-60-8,3063243,[4-(2-imidazol-1-ylethoxy)phenyl]methanol,C1=CC(=CC=C1CO)OCCN2C=CN=C2,"InChI=1S/C12H14N2O2/c15-9-11-1-3-12(4-2-11)16-8-7-14-6-5-13-10-14/h1-6,10,15H,7-9H2",GDNYXDJGFLTMJN-UHFFFAOYSA-N,C12H14N2O2,218.25,218.1055277,1,47.3,193,0,1,3,5,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-((3,3-diphenylpropyl)methylamino)-1,1-dimethylethyl methyl ester",100427-26-7,65866,"5-O-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC,"InChI=1S/C36H41N3O6/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-19,22,30,33,37H,20-21,23H2,1-6H3",ZDXUKAKRHYTAKV-UHFFFAOYSA-N,C36H41N3O6,611.7,611.299536,6.9,114,1090,0,1,8,13,45,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Benzoic acid, 2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-4(or 5)-methyl-",100728-84-5,3034382,4-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoic acid,CC1=CC(=C(C=C1)C(=O)O)C2=NC(C(=O)N2)(C)C(C)C,"InChI=1S/C15H18N2O3/c1-8(2)15(4)14(20)16-12(17-15)11-7-9(3)5-6-10(11)13(18)19/h5-8H,1-4H3,(H,18,19)(H,16,17,20)",KFEFNHNXZQYTEW-UHFFFAOYSA-N,C15H18N2O3,274.31,274.1317424,2.3,78.8,458,0,2,4,3,20,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Cyanoginosin LA, 3-L-tyrosine-5-L-arginine",101064-48-6,6437088,"(5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid",C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CC2=CC=C(C=C2)O)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC3=CC=CC=C3)OC)/C,"InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)60-40(26-35-17-19-36(63)20-18-35)49(70)61-43(51(73)74)31(4)45(66)58-38(48(69)57-37)15-12-24-55-52(53)54/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,69)(H,58,66)(H,59,65)(H,60,67)(H,61,70)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1",OWHASZQTEFAUJC-GJRPNUFSSA-N,C52H72N10O13,1045.2,1044.528032,2.2,363,2110,0,11,14,15,75,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"Piperazine, 1-(2-quinolinyl)-4-(3,4,5-trimethoxybenzoyl)-, monohydrochloride",101153-56-4,2965222,"(4-quinolin-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride",COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4C=C3.Cl,"InChI=1S/C23H25N3O4.ClH/c1-28-19-14-17(15-20(29-2)22(19)30-3)23(27)26-12-10-25(11-13-26)21-9-8-16-6-4-5-7-18(16)24-21;/h4-9,14-15H,10-13H2,1-3H3;1H",VCDXHHNZCPFXSO-UHFFFAOYSA-N,C23H26ClN3O4,443.9,443.161184,,64.1,555,0,1,6,5,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Cyclohexen-1-one, 2-(1-(ethoxyimino)butyl)-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-",101205-02-1,135499147,2-(N-ethoxy-C-propylcarbonimidoyl)-3-hydroxy-5-(thian-3-yl)cyclohex-2-en-1-one,CCCC(=NOCC)C1=C(CC(CC1=O)C2CCCSC2)O,"InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3",GGWHBJGBERXSLL-UHFFFAOYSA-N,C17H27NO3S,325.5,325.1711649,3.2,84.2,459,0,1,5,6,22,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Benzamide, N-(((4-(2-chloro-4-(trifluoromethyl)phenoxy)-2-fluorophenyl)amino)carbonyl)-2,6-difluoro-",101463-69-8,91766,"N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide",C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=C(C=C(C=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)F)F,"InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)",RYLHNOVXKPXDIP-UHFFFAOYSA-N,C21H11ClF6N2O3,488.8,488.0362389,6.3,67.4,689,0,2,9,4,33,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Olean-12-en-28-oic acid, 3-((2-O-(4-O-((3S)-4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-alpha-L-arabinopyranosyl)-beta-D-glucopyranosyl)oxy)-2,23-dihydroxy-, 28-(O-beta-D-xylopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl) ester, intramol. ester, (2-beta,3-beta,4-alpha)-",102040-03-9,156588438,"(1S,4S,7S,8S,9R,11S,13S,14S,18S,22S,25S,27R,28S,29S,30R,32R,34R,35S,37R,38R,41R,42S,46S,53S,54R,55R,56R,57S,58R)-7,8,18,28,29,35,55,56,58-nonahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,48,48,53,54-octamethyl-57-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.211,14.222,25.134,38.01,46.04,9.027,32.037,42.045,53]octapentacont-44-ene-2,16,20-trione",C[C@H]1[C@H]2[C@H]([C@H]([C@@H](O1)O[C@@H]3[C@H]([C@H](CO[C@H]3OC(=O)[C@@]45CC[C@@]6(C(=CC[C@@H]7[C@]6(CC[C@@H]8[C@@]7(C[C@@H]([C@@H]([C@@]8(C)CO)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1[C@@H]([C@H]([C@H](CO1)OC(=O)C[C@](CC(=O)O2)(C)O)O)O)O)C)C)[C@@H]4CC(CC5)(C)C)C)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O,"InChI=1S/C63H98O29/c1-26-46-47(88-51-43(76)38(71)30(67)22-81-51)45(78)53(84-26)90-48-39(72)31(68)23-82-54(48)92-56(79)63-15-13-57(2,3)17-28(63)27-9-10-35-59(5)18-29(66)50(60(6,25-65)34(59)11-12-62(35,8)61(27,7)14-16-63)91-55-49(42(75)40(73)32(21-64)86-55)89-52-44(77)41(74)33(24-83-52)85-36(69)19-58(4,80)20-37(70)87-46/h9,26,28-35,38-55,64-68,71-78,80H,10-25H2,1-8H3/t26-,28-,29-,30+,31-,32+,33-,34+,35-,38-,39-,40+,41-,42-,43+,44+,45+,46-,47-,48+,49+,50-,51-,52-,53-,54-,55-,58-,59-,60-,61+,62+,63-/m0/s1",MCPFEAJYKIXPQF-QXJNFEKOSA-N,C63H98O29,1319.4,1318.619377,-1.8,445,2700,0,14,29,4,92,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Purine-2,6-dione, 8-cyclopentyl-3,7-dihydro-1,3-dipropyl-",102146-07-6,1329,"8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione",CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CCCC3,"InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)",FFBDFADSZUINTG-UHFFFAOYSA-N,C16H24N4O2,304.39,304.189926,4,69.3,436,0,1,3,5,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenamine, 4-(8-methyl-9H-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)-",102771-26-6,3538,"4-(8-methyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)aniline",CC1=NN=C(C2=CC3=C(C=C2C1)OCO3)C4=CC=C(C=C4)N,"InChI=1S/C17H15N3O2/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11/h2-5,7-8H,6,9,18H2,1H3",LFBZZHVSGAHQPP-UHFFFAOYSA-N,C17H15N3O2,293.32,293.1164267,2.3,69.2,482,0,1,5,1,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiazolidine, 2-((2-methoxyphenoxy)methyl)-",103181-68-6,3025454,"2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidine",COC1=CC=CC=C1OCC2NCCS2,"InChI=1S/C11H15NO2S/c1-13-9-4-2-3-5-10(9)14-8-11-12-6-7-15-11/h2-5,11-12H,6-8H2,1H3",RVDKSQDMEIWCNB-UHFFFAOYSA-N,C11H15NO2S,225.31,225.0823499,2,55.8,191,0,1,4,4,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Indole-2-carboxamide, N-(2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-,(S)-",103420-77-5,443375,"N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide",CN1C2=CC=CC=C2C(=N[C@@H](C1=O)NC(=O)C3=CC4=CC=CC=C4N3)C5=CC=CC=C5,"InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1",NFHRQQKPEBFUJK-HSZRJFAPSA-N,C25H20N4O2,408.5,408.1586259,4.2,77.6,716,0,2,3,3,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Lycodin-1(18H)-one, 8,15-didehydro-",103548-82-9,5462442,"(1R,9R,10R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,16-trien-5-one",CC1=C[C@H]2CC3=C(C=CC(=O)N3)[C@@]4(C1)[C@@H]2CCCN4,"InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11-,12+,16+/m0/s1",YYWGABLTRMRUIT-HWWQOWPSSA-N,C16H20N2O,256.34,256.1575633,0.6,41.1,543,0,2,2,0,19,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 2,2'-methylenebis(6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-",103597-45-1,3571576,"2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol",CC(C)(C)CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CC4=C(C(=CC(=C4)C(C)(C)CC(C)(C)C)N5N=C6C=CC=CC6=N5)O,"InChI=1S/C41H50N6O2/c1-38(2,3)24-40(7,8)28-20-26(36(48)34(22-28)46-42-30-15-11-12-16-31(30)43-46)19-27-21-29(41(9,10)25-39(4,5)6)23-35(37(27)49)47-44-32-17-13-14-18-33(32)45-47/h11-18,20-23,48-49H,19,24-25H2,1-10H3",FQUNFJULCYSSOP-UHFFFAOYSA-N,C41H50N6O2,658.9,658.3995249,12.8,102,989,0,2,6,10,49,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Aluminum, tris(3-hydroxy-2-methyl-4H-pyran-4-onato-O(3),O(4))-, (OC-6-21)-",103616-17-7,92427,aluminum tris(2-methyl-4-oxopyran-3-olate),CC1=C(C(=O)C=CO1)[O-].CC1=C(C(=O)C=CO1)[O-].CC1=C(C(=O)C=CO1)[O-].[Al+3],"InChI=1S/3C6H6O3.Al/c3*1-4-6(8)5(7)2-3-9-4;/h3*2-3,8H,1H3;/q;;;+3/p-3",LIRCFGBNQPWVRY-UHFFFAOYSA-K,C18H15AlO9,402.3,402.0531455,,148,200,0,0,9,0,28,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Imidazole, 4-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-, monohydrochloride",104075-48-1,13649426,"5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole;hydrochloride",CCC1(CC2=CC=CC=C2C1)C3=CN=CN3.Cl,"InChI=1S/C14H16N2.ClH/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14;/h3-6,9-10H,2,7-8H2,1H3,(H,15,16);1H",PCCVCJAQMHDWJY-UHFFFAOYSA-N,C14H17ClN2,248.75,248.1080262,,28.7,237,0,2,1,2,17,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"13a-alpha-Berbinium, 2,11-dihydroxy-3,10-dimethoxy-7-methyl-, chloride",104112-82-5,59818,"(13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,11-diol chloride",C[N+]12CCC3=CC(=C(C=C3[C@@H]1CC4=CC(=C(C=C4C2)OC)O)O)OC.[Cl-],"InChI=1S/C20H23NO4.ClH/c1-21-5-4-12-8-19(24-2)18(23)10-15(12)16(21)6-13-7-17(22)20(25-3)9-14(13)11-21;/h7-10,16H,4-6,11H2,1-3H3,(H-,22,23);1H/t16-,21?;/m0./s1",DGLDSNPMIYUWGN-OOJQBDKLSA-N,C20H24ClNO4,377.9,377.1393859,,58.9,488,0,2,5,2,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Purine-2,6-dione, 3,7-dihydro-8-(hexahydro-1H-azepin-1-yl)-3-methyl-7-(2-phenoxyethyl)-",105522-56-3,1084970,"8-(azepan-1-yl)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione",CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CCOC4=CC=CC=C4,"InChI=1S/C20H25N5O3/c1-23-17-16(18(26)22-20(23)27)25(13-14-28-15-9-5-4-6-10-15)19(21-17)24-11-7-2-3-8-12-24/h4-6,9-10H,2-3,7-8,11-14H2,1H3,(H,22,26,27)",ZIQGZKIBJUPBHB-UHFFFAOYSA-N,C20H25N5O3,383.4,383.1957397,2.6,79.7,560,0,1,5,5,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Purine-2,6-dione, 3,7-dihydro-8-((2-furanylmethyl)amino)-3-methyl-7-(2-phenoxyethyl)-",105522-60-9,1084969,"8-(furan-2-ylmethylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione",CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)CCOC4=CC=CC=C4,"InChI=1S/C19H19N5O4/c1-23-16-15(17(25)22-19(23)26)24(9-11-28-13-6-3-2-4-7-13)18(21-16)20-12-14-8-5-10-27-14/h2-8,10H,9,11-12H2,1H3,(H,20,21)(H,22,25,26)",JURHQZDDCLXXTD-UHFFFAOYSA-N,C19H19N5O4,381.4,381.1437041,1.9,102,571,0,2,6,7,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,8:11,15-Dimethano-20H-bisbenzofuro(2,3-a:3',2'-i)dipyrido(4,3-b:3',4'-h)carbazole-1,8a,10a,18-tetrol, 7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-, (4bS,8R,8aS,10aS,11R,14aS,19aR,20bR))-",105618-26-6,5480230,"(1S,2S,7S,8S,12R,20R,24R,32R)-11,33-bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.030,36.018,37]heptatriaconta-4(23),5(21),14(37),15,17,26,28,30(36)-octaene-2,7,17,27-tetrol",C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)[C@H]9[C@@]12CCN([C@@H]([C@@]1(C8)O)CC1=C2C(=C(C=C1)O)O9)CC1CC1,"InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1",APSUXPSYBJVPPS-YAUKWVCOSA-N,C40H43N3O6,661.8,661.3151861,3.2,122,1340,0,5,8,4,49,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Imidazol-2-amine, 4,5-dihydro-1-((6-chloro-3-pyridinyl)methyl)-N-nitro-",105827-78-9,86418,"N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide",C1CN(C(=N1)N[N+](=O)[O-])CC2=CN=C(C=C2)Cl,"InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)",YWTYJOPNNQFBPC-UHFFFAOYSA-N,C9H10ClN5O2,255.66,255.0523023,0.8,86.3,319,0,1,4,3,17,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1
"3-Quinolinecarboxylic acid, 7-(3-amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-",105956-97-6,60063,7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid,C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCC(C4)N)F)C(=O)O,"InChI=1S/C17H17ClFN3O3/c18-13-14-10(5-12(19)15(13)21-4-3-8(20)6-21)16(23)11(17(24)25)7-22(14)9-1-2-9/h5,7-9H,1-4,6,20H2,(H,24,25)",QGPKADBNRMWEQR-UHFFFAOYSA-N,C17H17ClFN3O3,365.8,365.0942473,0.4,86.9,626,0,2,7,3,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Phenol, 2-(1-azabicyclo(2.2.2)oct-2-ylmethyl)-, hydrochloride",106200-12-8,3065002,2-(1-azabicyclo[2.2.2]octan-2-ylmethyl)phenol;hydrochloride,C1CN2CCC1CC2CC3=CC=CC=C3O.Cl,"InChI=1S/C14H19NO.ClH/c16-14-4-2-1-3-12(14)10-13-9-11-5-7-15(13)8-6-11;/h1-4,11,13,16H,5-10H2;1H",TXBNBJUALKHJCL-UHFFFAOYSA-N,C14H20ClNO,253.77,253.123342,,23.5,235,0,2,2,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
omega-Conotoxin G VIA,106375-28-4,22834549,"68-amino-36,71-bis(4-aminobutyl)-N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-22,51-bis(2-amino-2-oxoethyl)-33,60-bis(3-carbamimidamidopropyl)-8,47,78-trihydroxy-13,39-bis(1-hydroxyethyl)-4,16,57,74,86,89-hexakis(hydroxymethyl)-19,42-bis[(4-hydroxyphenyl)methyl]-2,5,11,14,17,20,23,32,35,38,41,44,50,53,56,59,62,69,72,75,81,84,87,90,97-pentacosaoxo-27,28,65,66,93,94-hexathia-3,6,12,15,18,21,24,31,34,37,40,43,49,52,55,58,61,70,73,76,82,85,88,91,96-pentacosazahexacyclo[52.37.4.225,63.06,10.045,49.076,80]heptanonacontane-30-carboxamide",CC(C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC2CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC(=O)C4CSSCC(C(=O)NC(C(=O)N5CC(CC5C(=O)N1)O)CO)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C6CC(CN6C(=O)C(NC(=O)C(NC(=O)C(CSSCC(C(=O)NC(C(=O)NC(C(=O)N4)CO)CCCNC(=N)N)NC2=O)N)CCCCN)CO)O)CO)CO)CC(=O)N)O)CC7=CC=C(C=C7)O)C(C)O)CCCCN)CCCNC(=N)N)C(=O)NC(CC8=CC=C(C=C8)O)C(=O)N)CC(=O)N)CC9=CC=C(C=C9)O)CO)O,"InChI=1S/C120H182N38O43S6/c1-53(165)91-114(197)138-66(10-4-6-26-122)95(178)136-68(12-8-28-132-120(129)130)98(181)149-81(107(190)139-69(93(126)176)29-55-13-19-58(167)20-14-55)49-204-207-52-84-110(193)153-80-48-203-202-47-64(123)94(177)135-65(9-3-5-25-121)97(180)147-78(45-163)117(200)156-38-61(170)32-85(156)111(194)133-37-90(175)134-74(41-159)102(185)145-76(43-161)105(188)152-83(109(192)148-79(46-164)118(201)158-40-63(172)34-87(158)113(196)155-92(54(2)166)115(198)146-77(44-162)103(186)140-70(30-56-15-21-59(168)22-16-56)99(182)141-72(35-88(124)173)100(183)150-84)51-206-205-50-82(151-104(187)75(42-160)144-96(179)67(137-106(80)189)11-7-27-131-119(127)128)108(191)143-73(36-89(125)174)116(199)157-39-62(171)33-86(157)112(195)142-71(101(184)154-91)31-57-17-23-60(169)24-18-57/h13-24,53-54,61-87,91-92,159-172H,3-12,25-52,121-123H2,1-2H3,(H2,124,173)(H2,125,174)(H2,126,176)(H,133,194)(H,134,175)(H,135,177)(H,136,178)(H,137,189)(H,138,197)(H,139,190)(H,140,186)(H,141,182)(H,142,195)(H,143,191)(H,144,179)(H,145,185)(H,146,198)(H,147,180)(H,148,192)(H,149,181)(H,150,183)(H,151,187)(H,152,188)(H,153,193)(H,154,184)(H,155,196)(H4,127,128,131)(H4,129,130,132)",FDQZTPPHJRQRQQ-UHFFFAOYSA-N,C120H182N38O43S6,3037.4,3036.158079,-15.8,1500,6820,0,49,54,39,207,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Imidazolidinone, 1-(2-(4-(5-chloro-1-(4-fluorophenyl)-1H-indole-3-yl)-1-piperidinyl)ethyl)-",106516-24-9,60149,1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one,C1CN(CCC1C2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F)CCN5CCNC5=O,"InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)",GZKLJWGUPQBVJQ-UHFFFAOYSA-N,C24H26ClFN4O,440.9,440.1779173,4.1,40.5,623,0,1,3,5,31,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1,4-Benzothiazine-2-acetamide, 3,4-dihydro-N-(2-chlorophenyl)-3-oxo-",106691-40-1,3065088,"2-[4-(3-chlorophenyl)-3-oxo-1,4-benzothiazin-2-yl]acetamide",C1=CC=C2C(=C1)N(C(=O)C(S2)CC(=O)N)C3=CC(=CC=C3)Cl,"InChI=1S/C16H13ClN2O2S/c17-10-4-3-5-11(8-10)19-12-6-1-2-7-13(12)22-14(16(19)21)9-15(18)20/h1-8,14H,9H2,(H2,18,20)",JCGSLOYVYMZDSF-UHFFFAOYSA-N,C16H13ClN2O2S,332.8,332.0386265,2.7,88.7,448,0,1,3,3,22,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-7-nonyl-8-(1-piperidinyl)-",106939-22-4,3065136,"3-methyl-7-nonyl-8-piperidin-1-ylpurine-2,6-dione",CCCCCCCCCN1C2=C(N=C1N3CCCCC3)N(C(=O)NC2=O)C,"InChI=1S/C20H33N5O2/c1-3-4-5-6-7-8-12-15-25-16-17(23(2)20(27)22-18(16)26)21-19(25)24-13-10-9-11-14-24/h3-15H2,1-2H3,(H,22,26,27)",KQQZBXVSHIUACI-UHFFFAOYSA-N,C20H33N5O2,375.5,375.2634253,4.6,70.5,509,0,1,4,9,27,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-8-(4-morpholinyl)-7-nonyl-",106939-23-5,3065137,"3-methyl-8-morpholin-4-yl-7-nonylpurine-2,6-dione",CCCCCCCCCN1C2=C(N=C1N3CCOCC3)N(C(=O)NC2=O)C,"InChI=1S/C19H31N5O3/c1-3-4-5-6-7-8-9-10-24-15-16(22(2)19(26)21-17(15)25)20-18(24)23-11-13-27-14-12-23/h3-14H2,1-2H3,(H,21,25,26)",YCZBVQMWQFKDCG-UHFFFAOYSA-N,C19H31N5O3,377.5,377.2426899,3.4,79.7,512,0,1,5,9,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
omega-Conotoxin M VIIA,107452-89-1,16135415,"2-[(1R,4S,7S,13S,16R,21R,24S,27S,30S,33S,36S,39S,42R,45S,48S,54S,60S,63R,68R,71S,77S)-63-amino-13,45,54,60-tetrakis(4-aminobutyl)-4,36-bis(3-carbamimidamidopropyl)-16-carbamoyl-71-[(1R)-1-hydroxyethyl]-7,39,77-tris(hydroxymethyl)-27-[(4-hydroxyphenyl)methyl]-48-methyl-33-(2-methylpropyl)-30-(2-methylsulfanylethyl)-2,5,8,11,14,23,26,29,32,35,38,41,44,47,50,53,56,59,62,69,72,75,78,85-tetracosaoxo-18,19,65,66,81,82-hexathia-3,6,9,12,15,22,25,28,31,34,37,40,43,46,49,52,55,58,61,70,73,76,79,84-tetracosazatricyclo[40.37.4.221,68]pentaoctacontan-24-yl]acetic acid",C[C@H]1C(=O)N[C@H](C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N1)CCCCN)CCCCN)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N3)CO)[C@@H](C)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)CCCNC(=N)N)CC(C)C)CCSC)CC4=CC=C(C=C4)O)CC(=O)O)C(=O)N)CCCCN)CO)CCCNC(=N)N)CCCCN,"InChI=1S/C102H172N36O32S7/c1-50(2)34-63-91(161)127-62(26-33-171-5)90(160)129-64(35-53-22-24-54(143)25-23-53)92(162)130-65(36-78(148)149)93(163)135-72-48-175-173-45-69(80(108)150)133-86(156)58(18-8-12-29-105)121-76(146)39-117-85(155)66(41-139)131-88(158)61(21-15-32-114-102(111)112)126-96(166)70-46-176-177-47-71(97(167)132-68(43-141)95(165)125-60(87(157)128-63)20-14-31-113-101(109)110)134-89(159)59(19-9-13-30-106)123-81(151)51(3)119-74(144)37-115-83(153)56(16-6-10-27-103)120-75(145)38-116-84(154)57(17-7-11-28-104)124-82(152)55(107)44-172-174-49-73(137-98(72)168)99(169)138-79(52(4)142)100(170)118-40-77(147)122-67(42-140)94(164)136-70/h22-25,50-52,55-73,79,139-143H,6-21,26-49,103-107H2,1-5H3,(H2,108,150)(H,115,153)(H,116,154)(H,117,155)(H,118,170)(H,119,144)(H,120,145)(H,121,146)(H,122,147)(H,123,151)(H,124,152)(H,125,165)(H,126,166)(H,127,161)(H,128,157)(H,129,160)(H,130,162)(H,131,158)(H,132,167)(H,133,156)(H,134,159)(H,135,163)(H,136,164)(H,137,168)(H,138,169)(H,148,149)(H4,109,110,113)(H4,111,112,114)/t51-,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,79-/m0/s1",BPKIMPVREBSLAJ-QTBYCLKRSA-N,C102H172N36O32S7,2639.2,2638.101691,-14,1310,5480,0,42,46,40,177,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Androsta-1,4-diene-3,17-dione, 6-methylene-",107868-30-4,60198,"(8R,9S,10R,13S,14S)-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione",C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C,"InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1",BFYIZQONLCFLEV-DAELLWKTSA-N,C20H24O2,296.4,296.17763,3.1,34.1,653,0,0,2,0,22,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
"3(4H)-Quinazolineacetamide, 4-oxo-N-phenyl-",108086-38-0,742756,2-(4-oxoquinazolin-3-yl)-N-phenylacetamide,C1=CC=C(C=C1)NC(=O)CN2C=NC3=CC=CC=C3C2=O,"InChI=1S/C16H13N3O2/c20-15(18-12-6-2-1-3-7-12)10-19-11-17-14-9-5-4-8-13(14)16(19)21/h1-9,11H,10H2,(H,18,20)",PRTMCDUZAVNQLB-UHFFFAOYSA-N,C16H13N3O2,279.29,279.1007767,1.6,61.8,429,0,1,3,3,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-1-Benzopyran-6-methanamine, 3,4-dihydro-alpha-phenyl-, hydrochloride",108132-34-9,60217,"3,4-dihydro-2H-chromen-6-yl-methyl-phenylazanium chloride",C[NH+](C1=CC=CC=C1)C2=CC3=C(C=C2)OCCC3.[Cl-],"InChI=1S/C16H17NO.ClH/c1-17(14-7-3-2-4-8-14)15-9-10-16-13(12-15)6-5-11-18-16;/h2-4,7-10,12H,5-6,11H2,1H3;1H",LDRFORWKFVHZIR-UHFFFAOYSA-N,C16H18ClNO,275.77,275.1076919,,13.7,262,0,1,2,2,19,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-4-methyl-",108132-88-3,3065481,"3-(1,3-benzodioxol-5-yl)-4-methyl-1H-1,2,4-triazol-5-one",CN1C(=NNC1=O)C2=CC3=C(C=C2)OCO3,"InChI=1S/C10H9N3O3/c1-13-9(11-12-10(13)14)6-2-3-7-8(4-6)16-5-15-7/h2-4H,5H2,1H3,(H,12,14)",QWYJYHUAIBWZQX-UHFFFAOYSA-N,C10H9N3O3,219.2,219.0643912,0.8,63.2,344,0,1,4,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Carbamic acid, ((1R,4Z,8S,13E)-8-((4,6-dideoxy-4-(((2,6-dideoxy-4-S-(4-((6-deoxy-3-O-methyl-alpha-L-mannopyranosyl)oxy)-3-iodo-5,6-dimethoxy-2-methylbenzoyl)-4-thio-beta-D-ribo-hexopyranosyl)oxy)amino)-2-O-(2,4-dideoxy-4-(ethylamino)-3-O-methyl-alpha-L-threo-pentopyranosyl)-beta-D-glucopyranosyl)oxy)-1-hydroxy-13-(2-(methyltrithio)ethylidene)-11-oxobicyclo(7.3.1)trideca-4,9-diene-2,6-diyn-10-yl)-, methyl ester",108212-75-5,10953353,"S-[(2R,3S,4S,6S)-6-[[(2R,3S,4S,5R,6R)-5-[(2S,4S,5S)-5-(ethylamino)-4-methoxyoxan-2-yl]oxy-4-hydroxy-6-[[(2S,5Z,9R,13E)-9-hydroxy-12-(methoxycarbonylamino)-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-2-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-2-methyloxan-3-yl]amino]oxy-4-hydroxy-2-methyloxan-3-yl] 4-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5-iodo-2,3-dimethoxy-6-methylbenzenecarbothioate",CCN[C@H]1CO[C@H](C[C@@H]1OC)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3C#C/C=C\C#C[C@@]\4(CC(=O)C(=C3/C4=C\CSSSC)NC(=O)OC)O)C)NO[C@H]5C[C@@H]([C@@H]([C@H](O5)C)SC(=O)C6=C(C(=C(C(=C6OC)OC)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)OC)O)I)C)O)O,"InChI=1S/C55H74IN3O21S4/c1-12-57-30-24-73-35(22-34(30)68-6)78-48-43(63)40(26(3)75-53(48)77-33-17-15-13-14-16-19-55(67)23-32(61)41(58-54(66)72-10)38(33)29(55)18-20-82-84-81-11)59-80-36-21-31(60)50(28(5)74-36)83-51(65)37-25(2)39(56)46(49(71-9)45(37)69-7)79-52-44(64)47(70-8)42(62)27(4)76-52/h13-14,18,26-28,30-31,33-36,40,42-44,47-48,50,52-53,57,59-60,62-64,67H,12,20-24H2,1-11H3,(H,58,66)/b14-13-,29-18+/t26-,27+,28-,30+,31+,33+,34+,35+,36+,40-,42+,43+,44-,47-,48-,50-,52+,53+,55+/m1/s1",HXCHCVDVKSCDHU-PJKCJEBCSA-N,C55H74IN3O21S4,1368.4,1367.27424,2,410,2500,0,8,27,24,84,,,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"4(1H)-Pyrimidinone, 2-((1-(1-((4-fluorophenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)methylamino)-",108612-45-9,65906,2-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one,CN(C1CCN(CC1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)C5=NC=CC(=O)N5,"InChI=1S/C24H25FN6O/c1-29(23-26-13-10-22(32)28-23)19-11-14-30(15-12-19)24-27-20-4-2-3-5-21(20)31(24)16-17-6-8-18(25)9-7-17/h2-10,13,19H,11-12,14-16H2,1H3,(H,26,28,32)",PVLJETXTTWAYEW-UHFFFAOYSA-N,C24H25FN6O,432.5,432.2073876,3.2,65.8,728,0,1,5,5,32,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-((2,3,6-trideoxy-3-((2S)-2-methoxy-4-morpholinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S,10S)-",108852-90-0,65907,"(7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2R,4S,5S,6S)-5-hydroxy-4-[(2S)-2-methoxymorpholin-4-yl]-6-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione",C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N6CCO[C@@H](C6)OC)O,"InChI=1S/C32H37NO13/c1-14-27(36)17(33-7-8-44-22(12-33)43-3)9-21(45-14)46-19-11-32(41,20(35)13-34)10-16-24(19)31(40)26-25(29(16)38)28(37)15-5-4-6-18(42-2)23(15)30(26)39/h4-6,14,17,19,21-22,27,34,36,38,40-41H,7-13H2,1-3H3/t14-,17-,19-,21-,22-,27+,32-/m0/s1",CTMCWCONSULRHO-UHQPFXKFSA-N,C32H37NO13,643.6,643.2264902,1.7,202,1160,0,5,14,7,46,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Tautomycin,109946-35-2,440646,"[(3R,4R,5R,8S,9S,12R)-12-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methyl-4-oxopentyl]-1,7-dioxaspiro[5.5]undecan-2-yl]-5,9-dihydroxy-4-methoxy-2,8-dimethyl-7-oxotridecan-3-yl] (3R)-3-hydroxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate",C[C@@H]1CC[C@@]2(CC[C@@H]([C@@H](O2)[C@H](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@H]([C@@H](C(C)C)OC(=O)C[C@H](C3=C(C(=O)OC3=O)C)O)OC)O)O)C)O[C@H]1CC[C@H](C)C(=O)C,"InChI=1S/C41H66O13/c1-21(2)36(51-34(47)20-31(45)35-27(8)39(48)52-40(35)49)38(50-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(54-37)17-15-23(4)33(53-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3/t22-,23+,24+,25-,26-,29-,31+,32+,33-,36+,37-,38+,41+/m0/s1",RFCWHQNNCOJYTR-IRCAEPKSSA-N,C41H66O13,767,766.4503422,4.9,192,1360,0,3,13,21,54,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-(2-(bis(4-(trifluoromethyl)phenyl)methoxy)ethyl)-, hydrochloride",110283-66-4,198692,"1-[2-[bis[4-(trifluoromethyl)phenyl]methoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride",C1CN(CC(=C1)C(=O)O)CCOC(C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F.Cl,"InChI=1S/C23H21F6NO3.ClH/c24-22(25,26)18-7-3-15(4-8-18)20(16-5-9-19(10-6-16)23(27,28)29)33-13-12-30-11-1-2-17(14-30)21(31)32;/h2-10,20H,1,11-14H2,(H,31,32);1H",NUQWSOWKRTZJTO-UHFFFAOYSA-N,C23H22ClF6NO3,509.9,509.1192402,,49.8,643,0,2,10,7,34,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phenol, 4,4'-(1-(4-(1-(4-hydroxyphenyl)-1-methylethyl)phenyl)ethylidene)bis-",110726-28-8,634278,"4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol",CC(C)(C1=CC=C(C=C1)C(C)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O,"InChI=1S/C29H28O3/c1-28(2,21-8-14-25(30)15-9-21)20-4-6-22(7-5-20)29(3,23-10-16-26(31)17-11-23)24-12-18-27(32)19-13-24/h4-19,30-32H,1-3H3",WXYSZTISEJBRHW-UHFFFAOYSA-N,C29H28O3,424.5,424.2038448,6.9,60.7,547,0,3,3,5,32,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Oxacyclohexadec-12-en-2-one, (12E)-",111879-80-2,9856149,(12E)-1-oxacyclohexadec-12-en-2-one,C1CCCC/C=C/CCCOC(=O)CCCC1,"InChI=1S/C15H26O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h6,8H,1-5,7,9-14H2/b8-6+",ZYXGECMFJMLZNA-SOFGYWHQSA-N,C15H26O2,238.37,238.1932801,5.2,26.3,221,0,0,2,0,17,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanol, 2-(2-(4-dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)-, (E)-2-butenedioate (2:1) salt",111974-72-2,5281025,"bis(2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol);(E)-but-2-enedioic acid",C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C(=C/C(=O)O)\C(=O)O,"InChI=1S/2C21H25N3O2S.C4H4O4/c2*25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21;5-3(6)1-2-4(7)8/h2*1-8,25H,9-16H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+",ZTHJULTYCAQOIJ-WXXKFALUSA-N,C46H54N6O8S2,883.1,882.3444551,,222,615,0,4,14,14,62,,,1,1,1,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
"5-Pyrimidinecarbonitrile, 4,6-diamino-2-(cyclopropylamino)-",112636-83-6,3081364,"4,6-diamino-2-(cyclopropylamino)pyrimidine-5-carbonitrile",C1CC1NC2=NC(=C(C(=N2)N)C#N)N,"InChI=1S/C8H10N6/c9-3-5-6(10)13-8(14-7(5)11)12-4-1-2-4/h4H,1-2H2,(H5,10,11,12,13,14)",PKTIFYGCWCQRSX-UHFFFAOYSA-N,C8H10N6,190.21,190.0966943,0.6,114,242,0,3,6,2,14,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrrole-2,5-dione, 1-(6-(((17-beta)-3-methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-",112648-68-7,104794,"1-[6-[[(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]hexyl]pyrrole-2,5-dione",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2NCCCCCCN4C(=O)C=CC4=O)CCC5=C3C=CC(=C5)OC,"InChI=1S/C29H40N2O3/c1-29-16-15-23-22-10-8-21(34-2)19-20(22)7-9-24(23)25(29)11-12-26(29)30-17-5-3-4-6-18-31-27(32)13-14-28(31)33/h8,10,13-14,19,23-26,30H,3-7,9,11-12,15-18H2,1-2H3/t23-,24-,25+,26+,29+/m1/s1",LUFAORPFSVMJIW-ZRJUGLEFSA-N,C29H40N2O3,464.6,464.3038931,4,58.6,763,0,1,4,9,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclohexanol, 2-(4-phenyl-1-piperidinyl)-, 1S-trans-",112709-60-1,16220089,"trans-(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol;hydrochloride",C1CC[C@@H]([C@H](C1)N2CCC(CC2)C3=CC=CC=C3)O.Cl,"InChI=1S/C17H25NO.ClH/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14;/h1-3,6-7,15-17,19H,4-5,8-13H2;1H/t16-,17-;/m0./s1",XJNUHVMJVWOYCW-QJHJCNPRSA-N,C17H26ClNO,295.8,295.1702921,,23.5,266,0,2,2,2,20,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzonitrile, 4,4'-(1H-1,2,4-triazol-1-ylmethylene)bis-",112809-51-5,3902,"4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile",C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3,"InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H",HPJKCIUCZWXJDR-UHFFFAOYSA-N,C17H11N5,285.3,285.1014454,2.7,78.3,420,0,0,4,3,22,,,0,0,0,0,0,1,0,1,0,0,0,0,0,1,0,0,1,0,1,0
"L-Glutamic acid, N-((5-(((1,4-dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl)methylamino)-2-thienyl)carbonyl)-",112887-68-0,135400182,(2S)-2-[[5-[methyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid,CC1=NC2=C(C=C(C=C2)CN(C)C3=CC=C(S3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)N1,"InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1",IVTVGDXNLFLDRM-HNNXBMFYSA-N,C21H22N4O6S,458.5,458.1260056,1.4,177,790,0,4,9,9,32,,,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0
"Milbemycin B, 5-O-demethyl-28-deoxy-25-((1E)-1,3-dimethyl-1-butenyl)-6,28-epoxy-23-(methoxyimino)-, (6R,23E,25S)-",113507-06-5,9832912,"(1R,4S,4'E,5'S,6R,6'S,8R,10E,13R,14E,16E,20R,21R,24S)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one",C[C@@H]\1C/C(=C/C[C@@H]2C[C@@H](C[C@@]3(O2)C/C(=N\OC)/[C@@H]([C@H](O3)/C(=C/C(C)C)/C)C)OC(=O)[C@@H]4C=C([C@H]([C@@H]5[C@]4(/C(=C/C=C1)/CO5)O)O)C)/C,"InChI=1S/C37H53NO8/c1-21(2)14-25(6)33-26(7)31(38-42-8)19-36(46-33)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27-20-43-34-32(39)24(5)16-30(35(40)44-29)37(27,34)41/h9-12,14,16,21-22,26,28-30,32-34,39,41H,13,15,17-20H2,1-8H3/b10-9+,23-12+,25-14+,27-11+,38-31+/t22-,26-,28+,29-,30-,32+,33+,34+,36-,37+/m0/s1",YZBLFMPOMVTDJY-LSGXYNIPSA-N,C37H53NO8,639.8,639.3771177,4.3,116,1340,0,2,9,3,46,,When found in oily form it is expected to boil at 160 ºC,1,0,1,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,1,0
"Methanesulfonamide, N-(4-((1-(2-(6-methyl-2-pyridinyl)ethyl)-4-piperidinyl)carbonyl)phenyl)-",113558-89-7,3185,N-[4-[1-[2-(6-methyl-2-pyridinyl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide,CC1=NC(=CC=C1)CCN2CCC(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C,"InChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3",SRUISGSHWFJION-UHFFFAOYSA-N,C21H27N3O3S,401.5,401.1773129,2.4,87.8,603,0,1,6,7,28,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Glycine, N-2-pyrrolidinylidene-",113561-30-1,666621,"2-(3,4-dihydro-2H-pyrrol-5-ylamino)acetic acid",C1CC(=NC1)NCC(=O)O,"InChI=1S/C6H10N2O2/c9-6(10)4-8-5-2-1-3-7-5/h1-4H2,(H,7,8)(H,9,10)",AGVKQUSRKNOGRP-UHFFFAOYSA-N,C6H10N2O2,142.16,142.0742276,-0.9,61.7,165,0,2,3,3,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 7-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-5,6-dihydroxy-2-phenyl-",114482-86-9,10077207,"5,6-dihydroxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one",C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O,"InChI=1S/C27H30O15/c28-8-15-19(31)22(34)24(36)26(41-15)38-9-16-20(32)23(35)25(37)27(42-16)40-14-7-13-17(21(33)18(14)30)11(29)6-12(39-13)10-4-2-1-3-5-10/h1-7,15-16,19-20,22-28,30-37H,8-9H2/t15-,16-,19-,20-,22+,23+,24-,25-,26-,27-/m1/s1",HAYLVXFWJCKKDW-IJTBWITGSA-N,C27H30O15,594.5,594.1584703,-1.3,245,958,0,9,15,7,42,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(1)Benzopyrano(3,4-b)(1)benzopyran-12(6H)-one, 6,9,11-trihydroxy-10-methyl-",114567-34-9,14018348,"6,9,11-trihydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one",CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=CC=CC=C4OC3O)O,"InChI=1S/C17H12O6/c1-7-9(18)6-11-13(14(7)19)15(20)12-8-4-2-3-5-10(8)23-17(21)16(12)22-11/h2-6,17-19,21H,1H3",YVVDYYFGAWQOGB-UHFFFAOYSA-N,C17H12O6,312.27,312.0633881,2.4,96.2,543,0,3,6,0,23,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Spiro(6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo(7,8)isoquino(3,2,-b)(3)benzazocine-20,1'(2'H)-isoquinolin)-19-one, 3',4',6,6a,7,13,14,16-octahydro-5-(acetyloxy)-6',8,14-trihydroxy-7',9-dimethoxy-4,10,23-trimethyl-, (6R-(6-alpha,6a-beta,7-beta,13-beta,14-beta,16-alpha,20R*))-",114899-77-3,108150,"[(1R,2R,3R,11S,12S,14R,26R)-5,6',12-trihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-3,4-dihydro-2H-isoquinoline]-22-yl] acetate",CC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O,"InChI=1S/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/t22-,23-,29+,30+,36+,37-,39+/m0/s1",PKVRCIRHQMSYJX-AIFWHQITSA-N,C39H43N3O11S,761.8,761.2618304,3.4,194,1450,0,4,15,4,54,,,0,1,1,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"1H-Isoindole-1,3(2H)-dione, 2-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-, monohydrobromide",115338-32-4,107966,"2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]isoindole-1,3-dione;hydrobromide",COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)C4=CC=CC=C4C3=O.Br,"InChI=1S/C23H27N3O3.BrH/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28;/h2-5,8-11H,6-7,12-17H2,1H3;1H",AXRUEPFPTQYHQD-UHFFFAOYSA-N,C23H28BrN3O3,474.4,473.1314,,53.1,552,0,1,5,7,30,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indole-3-carboxylic acid, octahydro-3-oxo-2,6-methano-2H-quinolizin-8-yl ester, (2-alpha,6-alpha,8-alpha,9a-beta)-, monomethanesulfonate, monohydrate",115956-13-3,3033817,"methanesulfonic acid;[(3S,7R)-10-oxo-8-azatricyclo[5.3.1.03,8]undecan-5-yl] 1H-indole-3-carboxylate",CS(=O)(=O)O.C1[C@@H]2CC(C[C@H]3N2CC(=O)C1C3)OC(=O)C4=CNC5=CC=CC=C54,"InChI=1S/C19H20N2O3.CH4O3S/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17;1-5(2,3)4/h1-4,9,11-14,20H,5-8,10H2;1H3,(H,2,3,4)/t11?,12-,13+,14?;",PSGRLCOSIXJUAL-ZPQKBBRKSA-N,C20H24N2O6S,420.5,420.1355077,,125,627,0,2,7,3,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-1,2,4-Triazole, 1-((4-bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methyl)-",116255-48-2,3444,"1-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole",C1C(COC1(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)Br,"InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2",HJJVPARKXDDIQD-UHFFFAOYSA-N,C13H12BrCl2N3O,377.1,374.95408,3.6,39.9,352,0,0,3,3,20,,No boiling point at normal pressure; decomposes at 194 °C,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-(2-thienyl)-",117258-29-4,3088280,"4-methyl-3-thiophen-2-yl-1H-1,2,4-triazol-5-one",CN1C(=NNC1=O)C2=CC=CS2,"InChI=1S/C7H7N3OS/c1-10-6(8-9-7(10)11)5-3-2-4-12-5/h2-4H,1H3,(H,9,11)",RGXRZHGPTUWEOH-UHFFFAOYSA-N,C7H7N3OS,181.22,181.030983,1,72.9,241,0,1,3,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Endothelin 1 (human, swine)",117399-94-7,16212950,"(3S)-3-[[(2S)-2-[[(2S)-2-[[(1R,4S,7S,10S,13S,16S,19S,22S,25R,28S,31R,36R,39S,42S,45S)-31-amino-7-(4-aminobutyl)-39-benzyl-4-(2-carboxyethyl)-10-(carboxymethyl)-19,22,28-tris(hydroxymethyl)-42-[(4-hydroxyphenyl)methyl]-16-(2-methylpropyl)-13-(2-methylsulfanylethyl)-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-45-propan-2-yl-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecazabicyclo[23.22.4]henpentacontane-36-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid",CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@@H]4CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H]5CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4)CC6=CC=CC=C6)CC7=CC=C(C=C7)O)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC5=O)CO)CO)CC(C)C)CCSC)CC(=O)O)CCCCN)CCC(=O)O)CO)N,"InChI=1S/C109H159N25O32S5/c1-12-56(9)87(107(163)125-76(109(165)166)39-60-43-113-65-24-18-17-23-63(60)65)134-108(164)88(57(10)13-2)133-99(155)75(42-85(143)144)123-94(150)70(36-54(5)6)118-97(153)73(40-61-44-112-52-114-61)121-103(159)80-49-169-168-48-64(111)89(145)126-77(45-135)102(158)131-81-50-170-171-51-82(105(161)132-86(55(7)8)106(162)124-72(38-59-26-28-62(138)29-27-59)95(151)120-71(96(152)130-80)37-58-21-15-14-16-22-58)129-91(147)67(30-31-83(139)140)116-90(146)66(25-19-20-33-110)115-98(154)74(41-84(141)142)122-92(148)68(32-34-167-11)117-93(149)69(35-53(3)4)119-100(156)78(46-136)127-101(157)79(47-137)128-104(81)160/h14-18,21-24,26-29,43-44,52-57,64,66-82,86-88,113,135-138H,12-13,19-20,25,30-42,45-51,110-111H2,1-11H3,(H,112,114)(H,115,154)(H,116,146)(H,117,149)(H,118,153)(H,119,156)(H,120,151)(H,121,159)(H,122,148)(H,123,150)(H,124,162)(H,125,163)(H,126,145)(H,127,157)(H,128,160)(H,129,147)(H,130,152)(H,131,158)(H,132,161)(H,133,155)(H,134,164)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t56-,57-,64-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,86-,87-,88-/m0/s1",ZUBDGKVDJUIMQQ-ZTNLKOGPSA-N,C109H159N25O32S5,2491.9,2491.022009,-3.7,1040,5300,0,32,40,47,171,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benz(a)anthracene-1,7,12(2H)-trione, 3,4-dihydro-3-hydroxy-8-methoxy-3-methyl-, (-)-",117620-87-8,10019885,"(3R)-3-hydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione",C[C@]1(CC2=C(C(=O)C1)C3=C(C=C2)C(=O)C4=C(C3=O)C=CC=C4OC)O,"InChI=1S/C20H16O5/c1-20(24)8-10-6-7-12-17(15(10)13(21)9-20)19(23)11-4-3-5-14(25-2)16(11)18(12)22/h3-7,24H,8-9H2,1-2H3/t20-/m1/s1",XZLGWJORNHETKI-HXUWFJFHSA-N,C20H16O5,336.3,336.0997736,2.1,80.7,613,0,1,5,1,25,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Avermectin A1a, 25-cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)-",117704-25-3,9832750,"(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-cyclohexyl-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one",C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)OC)\C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C8CCCCC8)C)O,"InChI=1S/C50H74O14/c1-27-13-12-16-34-26-57-47-42(51)30(4)21-37(50(34,47)54)48(53)60-36-22-35(63-49(25-36)20-19-29(3)45(64-49)33-14-10-9-11-15-33)18-17-28(2)44(27)61-41-24-39(56-8)46(32(6)59-41)62-40-23-38(55-7)43(52)31(5)58-40/h12-13,16-17,19-21,27,29,31-33,35-47,51-52,54H,9-11,14-15,18,22-26H2,1-8H3/b13-12+,28-17+,34-16+/t27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46-,47+,49+,50+/m0/s1",QLFZZSKTJWDQOS-YDBLARSUSA-N,C50H74O14,899.1,898.507857,4.5,170,1790,0,3,14,7,64,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,1
"Imidazo(1,2-a)pyrazin-8-amine, 3-bromo-N-methyl-",117718-82-8,3088360,"3-bromo-N-methylimidazo[1,2-a]pyrazin-8-amine",CNC1=NC=CN2C1=NC=C2Br,"InChI=1S/C7H7BrN4/c1-9-6-7-11-4-5(8)12(7)3-2-10-6/h2-4H,1H3,(H,9,10)",IYPYESRWCUEMDJ-UHFFFAOYSA-N,C7H7BrN4,227.06,225.98541,2,42.2,165,0,1,3,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Imidazo(4,5,1-jk)(1)benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-((1-methylethyl)amino)-, (6S,7S)-rel-",117827-79-9,3086576,"(9R,10R)-9-hydroxy-10-(propan-2-ylamino)-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one",CC(C)N[C@@H]1CCN2C3=C([C@H]1O)C=CC=C3NC2=O,"InChI=1S/C14H19N3O2/c1-8(2)15-11-6-7-17-12-9(13(11)18)4-3-5-10(12)16-14(17)19/h3-5,8,11,13,15,18H,6-7H2,1-2H3,(H,16,19)/t11-,13-/m1/s1",ZSTCZWJCLIRCOJ-DGCLKSJQSA-N,C14H19N3O2,261.32,261.1477269,0.5,64.6,361,0,3,3,2,19,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"Cyclo((Z)-2,3-didehydro-N-methyl-2-aminobutanoyl-erythro-3-methyl-D-beta-aspartyl-L-arginyl-(2S,3S,4E,6E,8S,9S)-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyl-3-aminodecanoyl-D-gamma-glutamyl)",118399-22-7,14217092,"(2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid",C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O,"InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1",IXBQSRWSVIBXNC-HSKGSTCASA-N,C41H60N8O10,825,824.4432401,1.7,285,1620,0,8,11,13,59,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"2H-1-Benzopyran-2-methanol, alpha,alpha'-(iminobis(methylene))bis(6-fluoro-3,4-dihydro-, (alpha-R,alpha'-R,2R,2'S)-rel-",118457-14-0,71301,"1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol",C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O,"InChI=1S/C22H25F2NO4/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2",KOHIRBRYDXPAMZ-UHFFFAOYSA-N,C22H25F2NO4,405.4,405.1751646,3,71,483,0,3,7,6,29,,,0,0,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"3-Quinolinecarboxylic acid, 1,4-dihydro-1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-,mono-3-pyridinecarboxylate",118803-81-9,83908,1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;pyridine-3-carboxylic acid,CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O.C1=CC(=CN=C1)C(=O)O,"InChI=1S/C16H18FN3O3.C6H5NO2/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20;8-6(9)5-2-1-3-7-4-5/h7-9,18H,2-6H2,1H3,(H,22,23);1-4H,(H,8,9)",WRIFLTAYLRDENF-UHFFFAOYSA-N,C22H23FN4O5,442.4,442.165248,,123,632,0,3,10,4,32,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Benzo(f)quinoxaline-7-sulfonamide, 1,2,3,4-tetrahydro-6-nitro-2,3-dioxo-",118876-58-7,3272524,"6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide",C1=CC2=C3C(=CC(=C2C(=C1)S(=O)(=O)N)[N+](=O)[O-])NC(=O)C(=O)N3,"InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)",UQNAFPHGVPVTAL-UHFFFAOYSA-N,C12H8N4O6S,336.28,336.0164552,0.1,173,653,0,3,7,1,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Furaldehyde, 4-(m-chlorophenyl)semicarbazone",119033-97-5,6863825,1-(3-chlorophenyl)-3-[(E)-furan-2-ylmethylideneamino]urea,C1=CC(=CC(=C1)Cl)NC(=O)N/N=C/C2=CC=CO2,"InChI=1S/C12H10ClN3O2/c13-9-3-1-4-10(7-9)15-12(17)16-14-8-11-5-2-6-18-11/h1-8H,(H2,15,16,17)/b14-8+",NGVXMSPIQNGWFB-RIYZIHGNSA-N,C12H10ClN3O2,263.68,263.0461543,2.6,66.6,312,0,2,3,3,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrazole-5-carboxamide, 4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-",119168-77-3,86354,N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide,CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)C(C)(C)C)C,"InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)",ZZYSLNWGKKDOML-UHFFFAOYSA-N,C18H24ClN3O,333.9,333.1607901,4.5,46.9,402,0,1,2,5,23,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
"Pyrrolidine, 2-(diphenylmethyl)-, (2S)-",119237-64-8,2734053,(2S)-2-benzhydrylpyrrolidine,C1C[C@H](NC1)C(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C17H19N/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15/h1-6,8-11,16-18H,7,12-13H2/t16-/m0/s1",OXOBKZZXZVFOBB-INIZCTEOSA-N,C17H19N,237.34,237.1517496,3.8,12,220,0,1,1,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyrrolidinium, 1-((2-beta,3-alpha,5-alpha,16-beta,17-beta)-17-(acetyloxy)-3-hydroxy-2-(4-morpholinyl)androstan-16-yl)-1-(2-propenyl)-, bromide",119302-91-9,441351,"[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate bromide",CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C.[Br-],"InChI=1S/C32H53N2O4.BrH/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35;/h5,23-30,36H,1,6-21H2,2-4H3;1H/q+1;/p-1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-;/m0./s1",OYTJKRAYGYRUJK-FMCCZJBLSA-M,C32H53BrN2O4,609.7,608.31887,,59,898,0,1,6,6,39,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-Imidazol-2-one, 1,3-dihydro-1,3-bis(oxiranylmethyl)-4,5-diphenyl-",120309-73-1,3078197,"1,3-bis(oxiran-2-ylmethyl)-4,5-diphenylimidazol-2-one",C1C(O1)CN2C(=C(N(C2=O)CC3CO3)C4=CC=CC=C4)C5=CC=CC=C5,"InChI=1S/C21H20N2O3/c24-21-22(11-17-13-25-17)19(15-7-3-1-4-8-15)20(16-9-5-2-6-10-16)23(21)12-18-14-26-18/h1-10,17-18H,11-14H2",VITLEIWKDUORIO-UHFFFAOYSA-N,C21H20N2O3,348.4,348.1473925,2.2,48.6,530,0,0,3,6,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Benzenediacetonitrile, alpha,alpha,alpha',alpha'-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-",120511-73-1,2187,"2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile",CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N,"InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3",YBBLVLTVTVSKRW-UHFFFAOYSA-N,C17H19N5,293.4,293.1640456,2.1,78.3,456,0,0,4,4,22,,,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1H-Imidazo(4,5-c)pyridin-4-amine, N,N-dimethyl-1-(phenylmethyl)-",120537-47-5,3078283,"1-benzyl-N,N-dimethylimidazo[4,5-c]pyridin-4-amine",CN(C)C1=NC=CC2=C1N=CN2CC3=CC=CC=C3,"InChI=1S/C15H16N4/c1-18(2)15-14-13(8-9-16-15)19(11-17-14)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3",KANKRXGDDBONMQ-UHFFFAOYSA-N,C15H16N4,252.31,252.1374965,2.4,34,288,0,0,3,3,19,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"Benzamide, N-((9S,10R,11R,13R)-2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-1-oxo-9,13-epoxy-1H,9H-diindolo(1,2,3-gh:3',2',1'-lm)pyrrolo(3,4-j)(1,7)benzodiazonin-11-yl)-N-methyl-",120685-11-2,9829523,"N-[(2S,3R,4R,6R)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide",C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC,"InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1",BMGQWWVMWDBQGC-IIFHNQTCSA-N,C35H30N4O4,570.6,570.2267055,4.8,77.7,1140,0,1,4,3,43,,,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,1,1
"1-Piperazineacetamide, 2-(aminocarbonyl)-N-(4-amino-2,6-dichlorophenyl)-4-(5,5-bis(4-fluorophenyl)pentyl)-",120770-34-5,60849,"1-[2-(4-amino-2,6-dichloroanilino)-2-oxoethyl]-4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide",C1CN(C(CN1CCCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)N)CC(=O)NC4=C(C=C(C=C4Cl)N)Cl,"InChI=1S/C30H33Cl2F2N5O2/c31-25-15-23(35)16-26(32)29(25)37-28(40)18-39-14-13-38(17-27(39)30(36)41)12-2-1-3-24(19-4-8-21(33)9-5-19)20-6-10-22(34)11-7-20/h4-11,15-16,24,27H,1-3,12-14,17-18,35H2,(H2,36,41)(H,37,40)",IWMYIWLIESDFRZ-UHFFFAOYSA-N,C30H33Cl2F2N5O2,604.5,603.197937,5.4,105,810,0,3,7,11,41,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Quinazoline, 4-((4-(1,1-dimethylethyl)phenyl)ethoxy)-",120928-09-8,86356,4-[2-(4-tert-butylphenyl)ethoxy]quinazoline,CC(C)(C)C1=CC=C(C=C1)CCOC2=NC=NC3=CC=CC=C32,"InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3",DMYHGDXADUDKCQ-UHFFFAOYSA-N,C20H22N2O,306.4,306.1732133,5.7,35,357,0,0,3,5,23,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, (((7S)-7-(((2R)-2-(3-chlorophenyl)-2-hydroxyethyl)amino)-5,6,7,8-tetrahydro-2-naphthalenyl)oxy)-, ethyl ester, hydrochloride",121524-09-2,121888,"ethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate;hydrochloride",CCOC(=O)COC1=CC2=C(CC[C@@H](C2)NC[C@@H](C3=CC(=CC=C3)Cl)O)C=C1.Cl,"InChI=1S/C22H26ClNO4.ClH/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16;/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3;1H/t19-,21-;/m0./s1",NQIZCDQCNYCVAS-RQBPZYBGSA-N,C22H27Cl2NO4,440.4,439.1317137,,67.8,491,0,3,5,9,29,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Pyrimidinamine, 4-cyclopropyl-6-methyl-N-phenyl-",121552-61-2,86367,4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine,CC1=CC(=NC(=N1)NC2=CC=CC=C2)C3CC3,"InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)",HAORKNGNJCEJBX-UHFFFAOYSA-N,C14H15N3,225.29,225.1265975,3.1,37.8,246,0,1,3,3,17,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
Sarafotoxin S 6c,121695-87-2,16132429,"3-[[5-amino-2-[[2-[[31-amino-22,42-bis(2-amino-2-oxoethyl)-39-benzyl-4,7-bis(2-carboxyethyl)-10,19-bis(carboxymethyl)-13,28-bis(1-hydroxyethyl)-45-(2-methylpropyl)-16-(2-methylsulfanylethyl)-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecazabicyclo[23.22.4]henpentacontane-36-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-4-[[1-[[1-[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid",CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC3=CN=CN3)NC(=O)C4CSSCC(C(=O)NC(C(=O)NC5CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N4)CC6=CC=CC=C6)CC(=O)N)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC5=O)CC(=O)N)CC(=O)O)CCSC)C(C)O)CC(=O)O)CCC(=O)O)CCC(=O)O)C(C)O)N,"InChI=1S/C103H147N27O37S5/c1-10-46(6)80(100(163)123-67(103(166)167)30-50-37-109-54-19-15-14-18-52(50)54)128-99(162)79(45(4)5)127-95(158)66(36-78(144)145)120-85(148)55(20-23-71(105)133)112-90(153)61(31-51-38-108-43-110-51)117-97(160)69-40-170-169-39-53(104)83(146)129-81(47(7)131)102(165)126-70-42-172-171-41-68(96(159)115-59(28-44(2)3)88(151)118-62(32-72(106)134)91(154)116-60(89(152)125-69)29-49-16-12-11-13-17-49)124-86(149)57(22-25-75(138)139)111-84(147)56(21-24-74(136)137)113-94(157)65(35-77(142)143)122-101(164)82(48(8)132)130-87(150)58(26-27-168-9)114-93(156)64(34-76(140)141)121-92(155)63(33-73(107)135)119-98(70)161/h11-19,37-38,43-48,53,55-70,79-82,109,131-132H,10,20-36,39-42,104H2,1-9H3,(H2,105,133)(H2,106,134)(H2,107,135)(H,108,110)(H,111,147)(H,112,153)(H,113,157)(H,114,156)(H,115,159)(H,116,154)(H,117,160)(H,118,151)(H,119,161)(H,120,148)(H,121,155)(H,122,164)(H,123,163)(H,124,149)(H,125,152)(H,126,165)(H,127,158)(H,128,162)(H,129,146)(H,130,150)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H,144,145)(H,166,167)",LXPHPKVWHQLBBA-UHFFFAOYSA-N,C103H147N27O37S5,2515.8,2514.908829,-9.3,1170,5630,0,34,44,48,172,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9(10H)-Anthracenone, 10,10-bis(4-pyridinylmethyl)-",122955-42-4,656732,"10,10-bis(pyridin-4-ylmethyl)anthracen-9-one",C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2(CC4=CC=NC=C4)CC5=CC=NC=C5,"InChI=1S/C26H20N2O/c29-25-21-5-1-3-7-23(21)26(17-19-9-13-27-14-10-19,18-20-11-15-28-16-12-20)24-8-4-2-6-22(24)25/h1-16H,17-18H2",KHJFBUUFMUBONL-UHFFFAOYSA-N,C26H20N2O,376.4,376.1575633,4.9,42.9,515,0,0,3,4,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-methyl-4-((3-pyridinylmethylene)amino)-, (E)-",123312-89-0,9576037,"6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one",CC1=NNC(=O)N(C1)/N=C/C2=CN=CC=C2,"InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+",QHMTXANCGGJZRX-WUXMJOGZSA-N,C10H11N5O,217.23,217.09636,0,70,325,0,1,4,2,16,,,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Benzoic acid, 2-chloro-6-((4,6-dimethoxy-2-pyrimidinyl)thio)-, sodium salt",123343-16-8,23682187,"sodium 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzoate",COC1=CC(=NC(=N1)SC2=C(C(=CC=C2)Cl)C(=O)[O-])OC.[Na+],"InChI=1S/C13H11ClN2O4S.Na/c1-19-9-6-10(20-2)16-13(15-9)21-8-5-3-4-7(14)11(8)12(17)18;/h3-6H,1-2H3,(H,17,18);/q;+1/p-1",CNILNQMBAHKMFS-UHFFFAOYSA-M,C13H10ClN2NaO4S,348.74,347.99475,,110,357,0,0,7,5,22,,,1,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0
"1H-Pyrazole-4-carboxamide, 5-chloro-N-(1,3-dihydro-1,1,3-trimethyl-4-isobenzofuranyl)-1,3-dimethyl-",123572-88-3,3083543,"5-chloro-1,3-dimethyl-N-(1,1,3-trimethyl-3H-2-benzofuran-4-yl)pyrazole-4-carboxamide",CC1C2=C(C=CC=C2NC(=O)C3=C(N(N=C3C)C)Cl)C(O1)(C)C,"InChI=1S/C17H20ClN3O2/c1-9-13(15(18)21(5)20-9)16(22)19-12-8-6-7-11-14(12)10(2)23-17(11,3)4/h6-8,10H,1-5H3,(H,19,22)",NRTLIYOWLVMQBO-UHFFFAOYSA-N,C17H20ClN3O2,333.8,333.1244046,2.6,56.2,473,0,1,3,2,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Quinoline, 5,7-dichloro-4-(4-fluorophenoxy)-",124495-18-7,3391107,"5,7-dichloro-4-(4-fluorophenoxy)quinoline",C1=CC(=CC=C1OC2=C3C(=CC(=CC3=NC=C2)Cl)Cl)F,InChI=1S/C15H8Cl2FNO/c16-9-7-12(17)15-13(8-9)19-6-5-14(15)20-11-3-1-10(18)2-4-11/h1-8H,WRPIRSINYZBGPK-UHFFFAOYSA-N,C15H8Cl2FNO,308.1,306.9966974,5.1,22.1,325,0,0,3,2,20,> 199 °F (>93 °C) (Closed cup) /Quintec Fungicide/,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1H-Imidazole-5-methanol, 2-butyl-4-chloro-1-((2'-(1H-tetrazol-5-yl)(1,1'-bi phenyl)-4-yl)methyl)-, monopotassium salt",124750-99-8,11751549,"potassium [2-butyl-5-chloro-3-[[4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol",CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=N[N-]4)CO)Cl.[K+],"InChI=1S/C22H22ClN6O.K/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22;/h4-7,9-12,30H,2-3,8,13-14H2,1H3;/q-1;+1",OXCMYAYHXIHQOA-UHFFFAOYSA-N,C22H22ClKN6O,461,460.1180685,,77.7,526,0,1,6,8,31,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,1,1,0
"D-Alaninamide, N-acetyl-3-(1-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N(sup 6)-(bis(ethylamino)methylene)-D-lysyl-L-leucyl-N(sup 6)-(bis(ethylamino)methylene)-L-lysyl-L-prolyl-",124904-93-4,16130957,(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-[bis(ethylamino)methylideneamino]hexanoyl]amino]-4-methylpentanoyl]amino]-6-[bis(ethylamino)methylideneamino]hexanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide,CCNC(=NCCCC[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN=C(NCC)NCC)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(=O)C)NCC,"InChI=1S/C80H113ClN18O13/c1-9-84-79(85-10-2)88-38-17-15-24-60(70(104)94-62(41-49(5)6)71(105)93-61(25-16-18-39-89-80(86-11-3)87-12-4)78(112)99-40-20-26-68(99)77(111)90-50(7)69(82)103)92-73(107)64(44-53-30-35-59(102)36-31-53)97-76(110)67(48-100)98-75(109)66(46-55-21-19-37-83-47-55)96-74(108)65(43-52-28-33-58(81)34-29-52)95-72(106)63(91-51(8)101)45-54-27-32-56-22-13-14-23-57(56)42-54/h13-14,19,21-23,27-37,42,47,49-50,60-68,100,102H,9-12,15-18,20,24-26,38-41,43-46,48H2,1-8H3,(H2,82,103)(H,90,111)(H,91,101)(H,92,107)(H,93,105)(H,94,104)(H,95,106)(H,96,108)(H,97,110)(H,98,109)(H2,84,85,88)(H2,86,87,89)/t50-,60-,61+,62+,63-,64+,65-,66-,67+,68+/m1/s1",GJNXBNATEDXMAK-PFLSVRRQSA-N,C80H113ClN18O13,1570.3,1568.842303,5.4,451,3030,0,16,16,48,112,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Benzoic acid, 2,6-bis((4,6-dimethoxy-2-pyrimidinyl)oxy)-, sodium salt",125401-92-5,23682789,"sodium 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate",COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.[Na+],"InChI=1S/C19H18N4O8.Na/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4;/h5-9H,1-4H3,(H,24,25);/q;+1/p-1",FUHMZYWBSHTEDZ-UHFFFAOYSA-M,C19H17N4NaO8,452.3,452.0944078,,147,515,0,0,12,9,32,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,1,0
"Benzenesulfonamide, 4-amino-N-(1-methyl-2-pyrrolidinylidene)-",126826-47-9,3079973,4-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide,CN1CCCC1=NS(=O)(=O)C2=CC=C(C=C2)N,"InChI=1S/C11H15N3O2S/c1-14-8-2-3-11(14)13-17(15,16)10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3",ASQPQNKOPBDHPS-UHFFFAOYSA-N,C11H15N3O2S,253.32,253.0884979,0.5,84.1,391,0,1,4,2,17,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Pyrrolidineethanethioamide, N-(2-phenylethyl)-2-thioxo-",127040-60-2,749377,N-(2-phenylethyl)-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide,C1CC(=S)N(C1)CC(=S)NCCC2=CC=CC=C2,"InChI=1S/C14H18N2S2/c17-13(11-16-10-4-7-14(16)18)15-9-8-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,15,17)",SVYMFFQOQWQIIQ-UHFFFAOYSA-N,C14H18N2S2,278.4,278.0911409,2.3,79.5,298,0,1,2,5,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Isoquinolinesulfonamide, N-(2-((3-(4-bromophenyl)-2-propenyl)amino)ethyl)-",127243-85-0,449241,N-[2-[[(E)-3-(4-bromophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide,C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCNC/C=C/C3=CC=C(C=C3)Br,"InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+",ZKZXNDJNWUTGDK-NSCUHMNNSA-N,C20H20BrN3O2S,446.4,445.04596,3.5,79.5,570,0,2,5,8,27,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-Pyrimido(2',1':3,4)pyrazino(1,2-a)indole, 3,4,6,7-tetrahydro-11-methoxy-, monohydrochloride",127556-86-9,3080187,"14-methoxy-3,7,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,11(16),12,14-pentaene;hydrochloride",COC1=CC2=C(C=C1)N3CCN4CCCN=C4C3=C2.Cl,"InChI=1S/C15H17N3O.ClH/c1-19-12-3-4-13-11(9-12)10-14-15-16-5-2-6-17(15)7-8-18(13)14;/h3-4,9-10H,2,5-8H2,1H3;1H",FAXLXEBWCQWGMF-UHFFFAOYSA-N,C15H18ClN3O,291.77,291.1138399,,29.8,384,0,1,2,1,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5H-Pyrrolo(3,2-b)pyridin-5-one, 1,4-dihydro-3-(1,2,3,6-tetrahydro-4-pyridinyl)-",127792-75-0,124007,"3-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one",C1CNCC=C1C2=CNC3=C2NC(=O)C=C3,"InChI=1S/C12H13N3O/c16-11-2-1-10-12(15-11)9(7-14-10)8-3-5-13-6-4-8/h1-3,7,13-14H,4-6H2,(H,15,16)",PJYVGMRFPFNZCT-UHFFFAOYSA-N,C12H13N3O,215.25,215.105862,-0.1,56.9,361,0,3,2,1,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"L-Valine, N-(3-hydroxy-7-mercapto-1-oxo-4-heptenyl)-D-valyl-D-cysteinyl-(Z)-2,3-didehydro-2-aminobutanoyl-, ti-lactone, cyclic (1-2)-disulfide, (S-(E))-",128517-07-7,5352062,"(1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone",C/C=C\1/C(=O)N[C@H](C(=O)O[C@H]\2CC(=O)N[C@@H](C(=O)N[C@H](CSSCC/C=C2)C(=O)N1)C(C)C)C(C)C,"InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1",OHRURASPPZQGQM-GCCNXGTGSA-N,C24H36N4O6S2,540.7,540.2076272,2.2,193,905,0,4,8,2,36,,,1,0,0,1,0,0,1,0,0,0,1,0,0,0,0,0,0,1,0,0
"1(2H)-Isoquinolinone, 3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-",129075-73-6,9948349,"5-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one",C1CCN(CC1)CCCCOC2=CC=CC3=C2CCNC3=O,"InChI=1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21)",RVOUDNBEIXGHJY-UHFFFAOYSA-N,C18H26N2O2,302.4,302.1994281,2.8,41.6,355,0,1,3,6,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrazole-5-carboxamide, 4-chloro-3-ethyl-1-methyl-N-((4-(4-methylphenoxy)phenyl)methyl)-",129558-76-5,10110536,4-chloro-3-ethyl-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide,CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)OC3=CC=C(C=C3)C)C,"InChI=1S/C21H22ClN3O2/c1-4-18-19(22)20(25(3)24-18)21(26)23-13-15-7-11-17(12-8-15)27-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,23,26)",WPALTCMYPARVNV-UHFFFAOYSA-N,C21H22ClN3O2,383.9,383.1400546,4.7,56.2,476,0,1,3,6,27,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"5H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 5,11-dihydro-11-cyclopropyl-4-methyl-",129618-40-2,4463,"2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one",CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4,"InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)",NQDJXKOVJZTUJA-UHFFFAOYSA-N,C15H14N4O,266.3,266.1167611,2,58.1,397,0,1,4,1,20,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2(1H)-Quinolinone, 7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydro-",129722-12-9,60795,"7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one",C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl,"InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)",CEUORZQYGODEFX-UHFFFAOYSA-N,C23H27Cl2N3O2,448.4,447.1480325,4.6,44.8,559,0,1,4,7,30,,139.0-139.5 °C,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"5-Heptenoic acid, 7-(3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl)-,1-methylethyl ester, (1R-(1-alpha(Z),2-beta(R*),3-alpha,5-alpha))-",130209-82-4,5311221,"propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate",CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1CC[C@H](CCC2=CC=CC=C2)O)O)O,"InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t21-,22+,23+,24-,25+/m0/s1",GGXICVAJURFBLW-CEYXHVGTSA-N,C26H40O5,432.6,432.2875744,4.3,87,526,0,3,5,14,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Butanediamide, N(sup 4)-hydroxy-N(sup 1)-(2-(methylamino)-2-oxo-1-(phenylmethyl)ethyl)-2-(2-methylpropyl)-3-((2-thienylthio)methyl)-, (2R-(1(S*)),3S)-",130370-60-4,5362422,"(2S,3R)-N-hydroxy-N'-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)-2-(thiophen-2-ylsulfanylmethyl)butanediamide",CC(C)C[C@H]([C@H](CSC1=CC=CS1)C(=O)NO)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC,"InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1",XFILPEOLDIKJHX-QYZOEREBSA-N,C23H31N3O4S2,477.6,477.1755988,3.5,161,614,0,4,6,12,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Imidazole, 1-(2-(4-methoxyphenyl)-2-(3-(4-methoxyphenyl)propoxy)ethyl)-, monohydrochloride",130495-35-1,104955,1-[2-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl]imidazole;hydrochloride,COC1=CC=C(C=C1)CCCOC(CN2C=CN=C2)C3=CC=C(C=C3)OC.Cl,"InChI=1S/C22H26N2O3.ClH/c1-25-20-9-5-18(6-10-20)4-3-15-27-22(16-24-14-13-23-17-24)19-7-11-21(26-2)12-8-19;/h5-14,17,22H,3-4,15-16H2,1-2H3;1H",FWLPKVQUECFKSW-UHFFFAOYSA-N,C22H27ClN2O3,402.9,402.1710204,,45.5,393,0,1,4,10,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propen-1-one, 1-(2-fluorophenyl)-3-(4-hydroxyphenyl)-, O-(2-(dimethylamino)ethyl)oxime, (1Z,2E)-",130579-75-8,135456190,"4-[(E,3Z)-3-[2-(dimethylamino)ethoxyimino]-3-(2-fluorophenyl)prop-1-enyl]phenol",CN(C)CCO/N=C(/C=C/C1=CC=C(C=C1)O)\C2=CC=CC=C2F,"InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3/b12-9+,21-19-",VAIOZOCLKVMIMN-PRJWTAEASA-N,C19H21FN2O2,328.4,328.1587061,4.1,45.1,418,0,1,5,7,24,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Propen-1-one, 1-(2-fluorophenyl)-3-(4-hydroxyphenyl)-, O-(2-(dimethylamino)ethyl)oxime, (1Z,2E)-, (2E)-2-butenedioate (2:1) (salt)",130580-02-8,135456189,"(E)-but-2-enedioic acid;bis(4-[(E,3Z)-3-[2-(dimethylamino)ethoxyimino]-3-(2-fluorophenyl)prop-1-enyl]phenol)",CN(CCO/N=C(\C1=CC=CC=C1F)/C=C/C2=CC=C(C=C2)O)C.CN(CCO/N=C(\C1=CC=CC=C1F)/C=C/C2=CC=C(C=C2)O)C.C(=C/C(=O)O)\C(=O)O,"InChI=1S/2C19H21FN2O2.C4H4O4/c2*1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15;5-3(6)1-2-4(7)8/h2*3-12,23H,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b2*12-9+,21-19-;2-1+",RNLKLYQQDLHHBH-ABDBJYMXSA-N,C42H46F2N4O8,772.8,772.3283708,,165,537,0,4,14,16,56,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 3-((O-6-deoxy-alpha-L-mannopyranosyl-(1-6)-O-(alpha-D-glucopyranosyl-(1-4))-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-",130603-71-3,5489459,"2-(3,4-dihydroxyphenyl)-3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxychromen-4-one",C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O,"InChI=1S/C33H40O21/c1-9-19(39)22(42)25(45)31(49-9)48-8-17-29(53-32-26(46)23(43)20(40)16(7-34)51-32)24(44)27(47)33(52-17)54-30-21(41)18-14(38)5-11(35)6-15(18)50-28(30)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-20,22-27,29,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,22+,23-,24+,25+,26+,27+,29+,31+,32+,33-/m0/s1",PFPQMWRASYNLMZ-LGIMBNBCSA-N,C33H40O21,772.7,772.2062083,-2.9,345,1320,0,13,21,9,54,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Trichothec-9-en-8-one, 12,13-epoxy-3-(beta-D-glucopyranosyloxy)-7,15-dihydroxy-, (3-alpha,7-alpha)-",131180-21-7,71312510,"(1R,2R,3S,7R,9R,10R,12S)-3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one",CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)CO,"InChI=1S/C21H30O11/c1-8-3-11-20(6-23,16(28)12(8)24)19(2)4-9(17(32-11)21(19)7-29-21)30-18-15(27)14(26)13(25)10(5-22)31-18/h3,9-11,13-18,22-23,25-28H,4-7H2,1-2H3/t9-,10-,11-,13-,14+,15-,16-,17-,18-,19-,20-,21+/m1/s1",PUMXWMGECQIOGB-SMSDQXDJSA-N,C21H30O11,458.5,458.1788118,-2.3,179,833,0,6,11,4,32,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, N-(3-(4-((4-(3,4-dihydro-2-oxo-1(2H)-quinolinyl)-1-piperidinyl)carbonyl)phenoxy)propyl)-",131631-89-5,114904,"N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]acetamide",CC(=O)NCCCOC1=CC=C(C=C1)C(=O)N2CCC(CC2)N3C(=O)CCC4=CC=CC=C43,"InChI=1S/C26H31N3O4/c1-19(30)27-15-4-18-33-23-10-7-21(8-11-23)26(32)28-16-13-22(14-17-28)29-24-6-3-2-5-20(24)9-12-25(29)31/h2-3,5-8,10-11,22H,4,9,12-18H2,1H3,(H,27,30)",KSNUCNRMDYJBKT-UHFFFAOYSA-N,C26H31N3O4,449.5,449.2314565,2.6,79,683,0,1,4,7,33,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4-Oxazolidinedione, 5-methyl-5-(4-phenoxyphenyl)-3-(phenylamino)-",131807-57-3,213032,"3-anilino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione",CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4,"InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3",PCCSBWNGDMYFCW-UHFFFAOYSA-N,C22H18N2O4,374.4,374.1266571,5,67.9,563,0,1,5,5,28,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"4H-Cyclopenta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,2,3,5,6,7-hexahydro-3-methyl-2-thioxo-",132605-19-7,899318,"11-methyl-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one",CN1C(=O)C2=C(NC1=S)SC3=C2CCC3,"InChI=1S/C10H10N2OS2/c1-12-9(13)7-5-3-2-4-6(5)15-8(7)11-10(12)14/h2-4H2,1H3,(H,11,14)",VUNKMNQMFCSUJN-UHFFFAOYSA-N,C10H10N2OS2,238.3,238.0234553,1.9,92.7,333,0,1,3,0,15,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris(phenylmethyl)-, tribromide",132684-40-3,3076890,"benzyl-[2-[3,5-bis[2-[benzyl(diethyl)azaniumyl]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-diethylazanium tribromide",CC[N+](CC)(CCN1C(=O)N(C(=O)N(C1=O)CC[N+](CC)(CC)CC2=CC=CC=C2)CC[N+](CC)(CC)CC3=CC=CC=C3)CC4=CC=CC=C4.[Br-].[Br-].[Br-],"InChI=1S/C42H63N6O3.3BrH/c1-7-46(8-2,34-37-22-16-13-17-23-37)31-28-43-40(49)44(29-32-47(9-3,10-4)35-38-24-18-14-19-25-38)42(51)45(41(43)50)30-33-48(11-5,12-6)36-39-26-20-15-21-27-39;;;/h13-27H,7-12,28-36H2,1-6H3;3*1H/q+3;;;/p-3",OSJICJZTZZQMEI-UHFFFAOYSA-K,C42H63Br3N6O3,939.7,938.24913,,60.9,911,0,0,6,21,54,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-Tryptophan, 1,1'-ethylidenebis-",132685-02-0,107700,(2S)-2-amino-3-[1-[1-[3-[(2S)-2-amino-2-carboxyethyl]indol-1-yl]ethyl]indol-3-yl]propanoic acid,CC(N1C=C(C2=CC=CC=C21)C[C@@H](C(=O)O)N)N3C=C(C4=CC=CC=C43)C[C@@H](C(=O)O)N,"InChI=1S/C24H26N4O4/c1-14(27-12-15(10-19(25)23(29)30)17-6-2-4-8-21(17)27)28-13-16(11-20(26)24(31)32)18-7-3-5-9-22(18)28/h2-9,12-14,19-20H,10-11,25-26H2,1H3,(H,29,30)(H,31,32)/t19-,20-/m0/s1",DETVQFQGSVEQBH-PMACEKPBSA-N,C24H26N4O4,434.5,434.1954053,-2.4,137,635,0,4,6,8,32,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5H-Indeno(5,6-d)-1,3-dioxol-6-amine, 6,7-dihydro-",132741-81-2,125558,"6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-amine",C1C(CC2=CC3=C(C=C21)OCO3)N,"InChI=1S/C10H11NO2/c11-8-1-6-3-9-10(13-5-12-9)4-7(6)2-8/h3-4,8H,1-2,5,11H2",FQDRMHHCWZAXJM-UHFFFAOYSA-N,C10H11NO2,177.2,177.0789786,1.2,44.5,189,0,1,3,0,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Azabicyclo(2.2.2)octan-3-amine, 2-(diphenylmethyl)-N-((2-methoxyphenyl)methyl)-, (2S,3S)-",132746-60-2,104943,"(2S,3S)-2-benzhydryl-N-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine",COC1=CC=CC=C1CN[C@@H]2[C@@H](N3CCC2CC3)C(C4=CC=CC=C4)C5=CC=CC=C5,"InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m0/s1",FLNYLINBEZROPL-NSOVKSMOSA-N,C28H32N2O,412.6,412.2514636,5.4,24.5,515,0,1,3,7,31,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cycloocta(b)pyridine, 5,6,7,8,9,10-hexahydro-2-(4-ethyl-1-piperazinyl)-4-(4-fluorophenyl)-",132810-10-7,125564,"2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine",CCN1CCN(CC1)C2=NC3=C(CCCCCC3)C(=C2)C4=CC=C(C=C4)F,"InChI=1S/C23H30FN3/c1-2-26-13-15-27(16-14-26)23-17-21(18-9-11-19(24)12-10-18)20-7-5-3-4-6-8-22(20)25-23/h9-12,17H,2-8,13-16H2,1H3",XVGOZDAJGBALKS-UHFFFAOYSA-N,C23H30FN3,367.5,367.2423761,5.5,19.4,443,0,0,4,3,27,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"5H-1-Pyrindine, 6,7-dihydro-2-(4-ethyl-1-piperazinyl)-4-(4-fluorophenyl)-,(Z)-2-butenedioate (1:2)",132810-17-4,575987,5H-cyclopenta[b]pyridine,C1C=CC2=C1C=CC=N2,"InChI=1S/C8H7N/c1-3-7-4-2-6-9-8(7)5-1/h1-2,4-6H,3H2",FDINJKJRQCFGFC-UHFFFAOYSA-N,C8H7N,117.15,117.0578492,1.7,12.9,129,0,0,1,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrrole-2,5-dione, 3-(1-(3-(dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-",133052-90-1,2396,"3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione",CN(C)CCCN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54,"InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)",QMGUOJYZJKLOLH-UHFFFAOYSA-N,C25H24N4O2,412.5,412.189926,3.1,70.1,748,0,2,3,6,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Cyclo(D-2-hydroxypropanoyl-N-methyl-L-leucyl-3-phenyl-D-2-hydroxypropanoyl-N-methyl-L-leucyl-D-2-hydroxypropanoyl-N-methyl-L-leucyl-3-phenyl-D-2-hydroxypropanoyl-N-methyl-L-leucyl),133413-70-4,159590,"(3S,6R,9S,12R,15S,18R,21S,24R)-6,18-dibenzyl-4,10,12,16,22,24-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone",C[C@@H]1C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O1)CC(C)C)C)CC2=CC=CC=C2)CC(C)C)C)C)CC(C)C)C)CC3=CC=CC=C3)CC(C)C)C,"InChI=1S/C52H76N4O12/c1-31(2)25-39-49(61)65-35(9)45(57)53(11)42(28-34(7)8)52(64)68-44(30-38-23-19-16-20-24-38)48(60)56(14)40(26-32(3)4)50(62)66-36(10)46(58)54(12)41(27-33(5)6)51(63)67-43(47(59)55(39)13)29-37-21-17-15-18-22-37/h15-24,31-36,39-44H,25-30H2,1-14H3/t35-,36-,39+,40+,41+,42+,43-,44-/m1/s1",YJNUXGPXJFAUQJ-LYWANRAQSA-N,C52H76N4O12,949.2,948.5459739,9.5,186,1580,0,0,12,12,68,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, ((1-phenyl-1H-tetrazol-5-yl)thio)-, 2-(((4-chlorophenyl)amino)carbonyl)hydrazide",133506-47-5,3077098,1-(4-chlorophenyl)-3-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]urea,C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NNC(=O)NC3=CC=C(C=C3)Cl,"InChI=1S/C16H14ClN7O2S/c17-11-6-8-12(9-7-11)18-15(26)20-19-14(25)10-27-16-21-22-23-24(16)13-4-2-1-3-5-13/h1-9H,10H2,(H,19,25)(H2,18,20,26)",CFRBPEAWSAFZIN-UHFFFAOYSA-N,C16H14ClN7O2S,403.8,403.0618216,2.9,139,501,0,3,6,5,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propanol, 1-((4-fluorophenyl)amino)-3-((1-phenyl-1H-tetrazol-5-yl)thio)-",133506-54-4,3077105,1-(4-fluoroanilino)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol,C1=CC=C(C=C1)N2C(=NN=N2)SCC(CNC3=CC=C(C=C3)F)O,"InChI=1S/C16H16FN5OS/c17-12-6-8-13(9-7-12)18-10-15(23)11-24-16-19-20-21-22(16)14-4-2-1-3-5-14/h1-9,15,18,23H,10-11H2",RUMDPIABWWMYSM-UHFFFAOYSA-N,C16H16FN5OS,345.4,345.1059595,3.2,101,366,0,2,7,7,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1,2,4-Triazole, 1-(((2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-, rel-",133855-98-8,107901,"1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole",C1=CC=C(C(=C1)[C@@H]2[C@@](O2)(CN3C=NC=N3)C4=CC=C(C=C4)F)Cl,"InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2/t16-,17-/m1/s1",ZMYFCFLJBGAQRS-IAGOWNOFSA-N,C17H13ClFN3O,329.8,329.0731179,3.2,43.2,421,0,0,4,4,23,,,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"1-Piperidineethanol, 4-hydroxy-alpha-(4-hydroxyphenyl)-beta-methyl-4-phenyl-, (alpha-S,beta-S)-",134234-12-1,219101,"1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-4-phenylpiperidin-4-ol",C[C@@H]([C@H](C1=CC=C(C=C1)O)O)N2CCC(CC2)(C3=CC=CC=C3)O,"InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3/t15-,19+/m0/s1",QEMSVZNTSXPFJA-HNAYVOBHSA-N,C20H25NO3,327.4,327.1834437,2.3,63.9,380,0,3,4,4,24,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"6H-Benzofuro(3a,3,2-ef)(2)benzazepin-6-ol, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, 11-oxide, (4aS,6R,8aS)-",134332-50-6,71587486,"(1S,4R,12S,14R)-9-methoxy-4-methyl-4-oxido-11-oxa-4-azoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol",C[N@+]1(CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O)[O-],"InChI=1S/C17H21NO4/c1-18(20)8-7-17-6-5-12(19)9-14(17)22-16-13(21-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-,18+/m0/s1",LROQBKNDGTWXET-CSBKYJRVSA-N,C17H21NO4,303.35,303.1470582,1.3,56.8,483,0,1,4,1,22,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0
"1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-(1,2-dimethyl-1H-indol-3-yl)-",134828-30-1,667052,"2-(1,2-dimethylindol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one",CC1=C(C2=CC=CC=C2N1C)C3N4CC5(CN3CC(C4)(C5=O)C)C,"InChI=1S/C20H25N3O/c1-13-16(14-7-5-6-8-15(14)21(13)4)17-22-9-19(2)10-23(17)12-20(3,11-22)18(19)24/h5-8,17H,9-12H2,1-4H3",OJUDIJXBZSAGOX-UHFFFAOYSA-N,C20H25N3O,323.4,323.1997624,2.2,28.5,535,0,0,3,1,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, 2-ethoxy-4-(2-((3-methyl-1-(2-(1-piperidinyl)phenyl)butyl)amino)-2-oxoethyl)-, (S)-",135062-02-1,65981,2-ethoxy-4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoic acid,CCOC1=C(C=CC(=C1)CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O,"InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1",FAEKWTJYAYMJKF-QHCPKHFHSA-N,C27H36N2O4,452.6,452.2675076,5.2,78.9,619,0,2,5,10,33,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"1,2,3-Benzothiadiazole-7-carbothioic acid, S-methyl ester",135158-54-2,86412,"S-methyl 1,2,3-benzothiadiazole-7-carbothioate",CSC(=O)C1=C2C(=CC=C1)N=NS2,"InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3",UELITFHSCLAHKR-UHFFFAOYSA-N,C8H6N2OS2,210.3,209.9921552,2.3,96.4,212,0,0,5,2,13,,Approx 267 °C,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"5,2,6-(Iminomethenimino)-1H-imidazo(4,5-b)pyrazine, octahydro-1,3,4,7,8,10-hexanitro-",135285-90-4,9889323,"2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodecane",C12C3N(C4C(N3[N+](=O)[O-])N(C(N1[N+](=O)[O-])C(N2[N+](=O)[O-])N4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],InChI=1S/C6H6N12O12/c19-13(20)7-1-2-8(14(21)22)5(7)6-9(15(23)24)3(11(1)17(27)28)4(10(6)16(25)26)12(2)18(29)30/h1-6H,NDYLCHGXSQOGMS-UHFFFAOYSA-N,C6H6N12O12,438.19,438.0228137,2.8,294,749,0,0,18,0,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Purine-2,6-dione, 8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,7-dihydro-1,3-dipropyl-",136199-02-5,11948288,"1,3-dipropyl-8-[(1R,5S)-3-tricyclo[3.3.1.03,7]nonanyl]-7H-purine-2,6-dione",CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34C[C@@H]5C[C@H](C3)CC4C5,"InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)/t12-,13+,14?,20?",PJBFVWGQFLYWCB-QUYAXPHCSA-N,C20H28N4O2,356.5,356.2212262,4.9,69.3,609,0,1,3,5,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1
"1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalen-3-amine, octahydro-, hydrochloride",136375-78-5,3077912,"pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine;hydrochloride",C1C2C3CC4C2C5C1C3C(C45)N.Cl,"InChI=1S/C11H15N.ClH/c12-11-8-4-2-5-7-3(4)1-6(8)9(7)10(5)11;/h3-11H,1-2,12H2;1H",SHFNPJGWZAJMEC-UHFFFAOYSA-N,C11H16ClN,197.7,197.0971272,,26,287,0,2,1,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1,1'-Bicyclohexyl)-3,6,2'-triene-2,5-dione, 6-hydroxy-3'-methyl-4-pentyl-6'-(1-propen-2-yl)-, (1'R,6'R)-",137252-25-6,11393311,"3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylcyclohexa-2,5-diene-1,4-dione",CCCCCC1=CC(=O)C(=C(C1=O)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C,"InChI=1S/C21H28O3/c1-5-6-7-8-15-12-18(22)19(21(24)20(15)23)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,24H,2,5-10H2,1,3-4H3/t16-,17+/m0/s1",WDXXEUARVHTWQF-DLBZAZTESA-N,C21H28O3,328.4,328.2038448,5.2,54.4,646,0,1,3,6,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0
"L-Valine, N-(1-oxopentyl)-N-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-",137862-53-4,60846,(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid,CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O,"InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1",ACWBQPMHZXGDFX-QFIPXVFZSA-N,C24H29N5O3,435.5,435.2270398,4.4,112,608,0,2,6,10,32,,83-88,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"1,3-Diazaspiro(4.4)non-1-en-4-one, 2-butyl-3-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-",138402-11-6,3749,"2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one",CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5,"InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)",YOSHYTLCDANDAN-UHFFFAOYSA-N,C25H28N6O,428.5,428.2324595,4.1,87.1,682,0,1,5,7,32,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,1
"2H-Thieno(3,2-e)-1,2-thiazine-6-sulfonamide, 4-(ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-, 1,1-dioxide, (R)-",138890-62-7,68844,"(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide",CCN[C@H]1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC,"InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1",HCRKCZRJWPKOAR-JTQLQIEISA-N,C12H21N3O5S3,383.5,383.0643343,-0.3,164,598,0,2,9,7,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Piperazineacetic acid, 4-(3-chlorophenyl)-alpha-(2-(4-chlorophenyl)-2-oxoethyl)-",139084-71-2,3071819,4-(4-chlorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid,C1CN(CCN1C2=CC(=CC=C2)Cl)C(CC(=O)C3=CC=C(C=C3)Cl)C(=O)O,"InChI=1S/C20H20Cl2N2O3/c21-15-6-4-14(5-7-15)19(25)13-18(20(26)27)24-10-8-23(9-11-24)17-3-1-2-16(22)12-17/h1-7,12,18H,8-11,13H2,(H,26,27)",RIQZZIITKFLZNA-UHFFFAOYSA-N,C20H20Cl2N2O3,407.3,406.0850979,1.8,60.9,517,0,1,5,6,27,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-",139481-59-7,2541,2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O,"InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)",HTQMVQVXFRQIKW-UHFFFAOYSA-N,C24H20N6O3,440.5,440.1596885,4.1,119,660,0,2,7,7,33,,,0,1,1,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
"Hydrazinecarboxamide, 2-(2-(4-cyanophenyl)-1-(3-(trifluoromethyl)phenyl)ethylidene)-N-(4-(trifluoromethoxy)phenyl)-",139968-49-3,11614934,1-[(E)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea,C1=CC(=CC(=C1)C(F)(F)F)/C(=N/NC(=O)NC2=CC=C(C=C2)OC(F)(F)F)/CC3=CC=C(C=C3)C#N,"InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21+",MIFOMMKAVSCNKQ-QNKGDIEWSA-N,C24H16F6N4O2,506.4,506.1177447,6.2,86.5,806,0,2,10,6,36,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Manganate(6-), ((N,N'-1,2-ethanediylbis(N-((3-hydroxy-2-methyl-5-((phosphonooxy)-methyl)-4-pyridinyl)methyl)glycinato)) (8-))-, trisodium trihydrogen, (OC-6-13)-",140678-14-4,160036,trisodium;2-[2-[carboxylatomethyl-[[2-methyl-3-oxido-5-(phosphonatooxymethyl)-4-pyridinyl]methyl]amino]ethyl-[[2-methyl-3-oxido-5-(phosphonatooxymethyl)-4-pyridinyl]methyl]amino]acetate;hydron;manganese(2+),[H+].[H+].[H+].CC1=NC=C(C(=C1[O-])CN(CCN(CC2=C(C(=NC=C2COP(=O)([O-])[O-])C)[O-])CC(=O)[O-])CC(=O)[O-])COP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Mn+2],"InChI=1S/C22H32N4O14P2.Mn.3Na/c1-13-21(31)17(15(5-23-13)11-39-41(33,34)35)7-25(9-19(27)28)3-4-26(10-20(29)30)8-18-16(12-40-42(36,37)38)6-24-14(2)22(18)32;;;;/h5-6,31-32H,3-4,7-12H2,1-2H3,(H,27,28)(H,29,30)(H2,33,34,35)(H2,36,37,38);;;;/q;+2;3*+1/p-5",BENFPBJLMUIGGD-UHFFFAOYSA-I,C22H27MnN4Na3O14P2,757.3,757.007251,,303,873,0,3,18,13,46,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
"Benzenesulfonamide, N-(2-((4-hydroxyphenyl)amino)-3-pyridinyl)-4-methoxy-",141430-65-1,3035714,N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide,COC1=CC=C(C=C1)S(=O)(=O)NC2=C(N=CC=C2)NC3=CC=C(C=C3)O,"InChI=1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13/h2-12,21-22H,1H3,(H,19,20)",URCVCIZFVQDVPM-UHFFFAOYSA-N,C18H17N3O4S,371.4,371.0939772,2.8,109,523,0,3,7,6,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,1,0
"Azeto(2,1-a)isoindole-4-carboxylic acid, 1,2,5,6,7,8,8a,8b-octahydro-1-((1R)-1-hydroxyethyl)-5-methoxy-2-oxo-, 1-(((cyclohexyloxy)carbonyl)oxy)ethyl ester, (1S,5S,8aS,8bR)-",141646-08-4,6918217,"1-cyclohexyloxycarbonyloxyethyl (1S,5S,8aS,8bR)-1-[(1R)-1-hydroxyethyl]-5-methoxy-2-oxo-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylate",C[C@H]([C@@H]1[C@H]2[C@H]3CCC[C@@H](C3=C(N2C1=O)C(=O)OC(C)OC(=O)OC4CCCCC4)OC)O,"InChI=1S/C23H33NO8/c1-12(25)17-19-15-10-7-11-16(29-3)18(15)20(24(19)21(17)26)22(27)30-13(2)31-23(28)32-14-8-5-4-6-9-14/h12-17,19,25H,4-11H2,1-3H3/t12-,13?,15+,16+,17-,19-/m1/s1",QFEICXCLIGZEJB-IRVPUMQPSA-N,C23H33NO8,451.5,451.220617,2.9,112,789,0,1,8,9,32,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
Exendin 4,141732-76-5,45588096,"(4S)-5-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[2-[[2-[(2S)-2-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-[[2-[[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-5-oxopentanoic acid",CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC8=CC=CC=C8)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC9=CNC=N9)N,"InChI=1S/C184H282N50O60S/c1-16-94(10)147(178(289)213-114(52-58-144(257)258)163(274)218-121(73-101-77-195-105-39-24-23-38-103(101)105)168(279)215-116(68-90(2)3)165(276)205-107(41-26-28-61-186)158(269)219-122(75-134(189)243)154(265)198-79-135(244)196-83-139(248)231-63-30-43-129(231)175(286)225-127(87-238)174(285)223-125(85-236)155(266)200-80-136(245)202-96(12)181(292)233-65-32-45-131(233)183(294)234-66-33-46-132(234)182(293)232-64-31-44-130(232)176(287)222-124(84-235)150(190)261)229-170(281)119(71-99-34-19-17-20-35-99)217-166(277)117(69-91(4)5)214-159(270)108(42-29-62-194-184(191)192)212-177(288)146(93(8)9)228-151(262)95(11)203-156(267)111(49-55-141(251)252)208-161(272)112(50-56-142(253)254)209-162(273)113(51-57-143(255)256)210-164(275)115(59-67-295-15)211-160(271)110(47-53-133(188)242)207-157(268)106(40-25-27-60-185)206-172(283)126(86-237)224-167(278)118(70-92(6)7)216-169(280)123(76-145(259)260)220-173(284)128(88-239)226-180(291)149(98(14)241)230-171(282)120(72-100-36-21-18-22-37-100)221-179(290)148(97(13)240)227-138(247)82-199-153(264)109(48-54-140(249)250)204-137(246)81-197-152(263)104(187)74-102-78-193-89-201-102/h17-24,34-39,77-78,89-98,104,106-132,146-149,195,235-241H,16,25-33,40-76,79-88,185-187H2,1-15H3,(H2,188,242)(H2,189,243)(H2,190,261)(H,193,201)(H,196,244)(H,197,263)(H,198,265)(H,199,264)(H,200,266)(H,202,245)(H,203,267)(H,204,246)(H,205,276)(H,206,283)(H,207,268)(H,208,272)(H,209,273)(H,210,275)(H,211,271)(H,212,288)(H,213,289)(H,214,270)(H,215,279)(H,216,280)(H,217,277)(H,218,274)(H,219,269)(H,220,284)(H,221,290)(H,222,287)(H,223,285)(H,224,278)(H,225,286)(H,226,291)(H,227,247)(H,228,262)(H,229,281)(H,230,282)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H4,191,192,194)/t94-,95-,96-,97+,98+,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,146-,147-,148-,149-/m0/s1",HTQBXNHDCUEHJF-XWLPCZSASA-N,C184H282N50O60S,4187,4185.030662,-21,1780,10300,0,58,66,135,295,,,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Benzamide, N-((2S)-4-(4-(acetylamino)-4-phenyl-1-piperidinyl)-2-(3,4-dichlorophenyl)butyl)-N-methyl-",142001-63-6,104974,"N-[(2S)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide",CC(=O)NC1(CCN(CC1)CC[C@H](CN(C)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4,"InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1",PGKXDIMONUAMFR-AREMUKBSSA-N,C31H35Cl2N3O2,552.5,551.2106328,5.9,52.7,760,0,1,3,9,38,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"2(1H)-Quinolinone, 7-chloro-4-hydroxy-3-(3-phenoxyphenyl)-",142326-59-8,54682505,7-chloro-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one,C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=C(C4=C(C=C(C=C4)Cl)NC3=O)O,"InChI=1S/C21H14ClNO3/c22-14-9-10-17-18(12-14)23-21(25)19(20(17)24)13-5-4-8-16(11-13)26-15-6-2-1-3-7-15/h1-12H,(H2,23,24,25)",FLVRDMUHUXVRET-UHFFFAOYSA-N,C21H14ClNO3,363.8,363.066221,4.5,58.6,557,0,2,3,3,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, N-(4-fluorophenyl)-N-(1-methylethyl)-2-((5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)oxy)-",142459-58-3,86429,"N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide",CC(C)N(C1=CC=C(C=C1)F)C(=O)COC2=NN=C(S2)C(F)(F)F,"InChI=1S/C14H13F4N3O2S/c1-8(2)21(10-5-3-9(15)4-6-10)11(22)7-23-13-20-19-12(24-13)14(16,17)18/h3-6,8H,7H2,1-2H3",IANUJLZYFUDJIH-UHFFFAOYSA-N,C14H13F4N3O2S,363.33,363.0664605,3.6,83.6,431,0,0,9,5,24,,Decomposes,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
"L-Tryptophan, N-(3-carboxy-1-oxopropyl)-L-alpha-aspartyl-L-alpha-glutamyl-L-alpha-glutamyl-L-alanyl-L-valyl-L-tyrosyl-L-phenylalanyl-L-alanyl-L-histidyl-L-leucyl-L-alpha-aspartyl-L-isoleucyl-L-isoleucyl-",142569-99-1,16130933,"(4S)-4-[[(2S)-4-carboxy-2-[[(2S)-3-carboxy-2-(3-carboxypropanoylamino)propanoyl]amino]butanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S,3S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid",CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O,"InChI=1S/C86H117N17O27/c1-11-44(7)71(84(127)100-63(86(129)130)35-50-39-88-54-21-17-16-20-53(50)54)103-85(128)72(45(8)12-2)102-82(125)62(38-69(114)115)98-78(121)57(32-42(3)4)96-80(123)60(36-51-40-87-41-89-51)95-73(116)46(9)91-77(120)58(33-48-18-14-13-15-19-48)97-79(122)59(34-49-22-24-52(104)25-23-49)99-83(126)70(43(5)6)101-74(117)47(10)90-75(118)55(26-29-65(106)107)93-76(119)56(27-30-66(108)109)94-81(124)61(37-68(112)113)92-64(105)28-31-67(110)111/h13-25,39-47,55-63,70-72,88,104H,11-12,26-38H2,1-10H3,(H,87,89)(H,90,118)(H,91,120)(H,92,105)(H,93,119)(H,94,124)(H,95,116)(H,96,123)(H,97,122)(H,98,121)(H,99,126)(H,100,127)(H,101,117)(H,102,125)(H,103,128)(H,106,107)(H,108,109)(H,110,111)(H,112,113)(H,114,115)(H,129,130)/t44-,45-,46-,47-,55-,56-,57-,58-,59-,60-,61-,62-,63-,70-,71-,72-/m0/s1",DXPHNGAMYPPTBJ-TZMIJSMNSA-N,C86H117N17O27,1820.9,1819.830482,2.1,696,3920,0,23,28,56,130,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 2-((2S,3S)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-",142796-22-3,10885340,"(2R,3R)-3,5,7-trihydroxy-2-[(2S,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one",COC1=C(C=CC(=C1)[C@H]2[C@@H](OC3=C(O2)C=CC(=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O,"InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/m0/s1",FDQAOULAVFHKBX-WAABAYLZSA-N,C25H22O10,482.4,482.1212969,2.4,155,750,0,5,10,4,35,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4(1H,3H)-Pyrimidinedione, 6-(hydroxy(2,2a,3,4,5,5a,6,7-octahydro-3-methyl-4-(sulfooxy)-1H-1,8,8b-triazaacenaphthylen-7-yl)methyl)-, (2a-alpha,3-alpha,4-alpha,5a-alpha,7-beta(R*))-(-)-",143545-90-8,42628600,"[(4S,5R,6S,8S,10R)-10-[(R)-(2,4-dioxo-1H-pyrimidin-6-yl)-hydroxymethyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.04,12]dodec-1-en-6-yl] hydrogen sulfate",C[C@H]1[C@H](C[C@@H]2C[C@@H](NC3=NC[C@H]1N23)[C@H](C4=CC(=O)NC(=O)N4)O)OS(=O)(=O)O,"InChI=1S/C15H21N5O7S/c1-6-10-5-16-14-17-8(13(22)9-4-12(21)19-15(23)18-9)2-7(20(10)14)3-11(6)27-28(24,25)26/h4,6-8,10-11,13,22H,2-3,5H2,1H3,(H,16,17)(H,24,25,26)(H2,18,19,21,23)/t6-,7+,8-,10-,11+,13-/m1/s1",LHJPHMKIGRLKDR-VDPNAHCISA-N,C15H21N5O7S,415.4,415.1161692,-2.6,178,866,0,5,8,4,28,,,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1
"L-Aspartic acid, compd. with 18-decarboxy-40-demethyl-3,7-dideoxo-N(sup 3')-((dimethylamino)acetyl)-18-(((2-(dimethylamino)ethyl)amino)carbonyl)-3,7-dihydroxy-N(sup 47)-methyl-5-oxocandicidin D, cyclic 15,19-hemiacetal (2:1)",143563-20-6,145925534,"bis((2S)-2-aminobutanedioic acid);(1R,3S,5S,7R,9R,13R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[[2-(dimethylamino)acetyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-[2-(dimethylamino)ethyl]-1,3,5,7,9,13,37-heptahydroxy-17-[(2S)-5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxamide",C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H](C[C@H](C[C@H](CC(=O)C[C@H](CC(=O)O[C@@H]1[C@@H](C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)NCCN(C)C)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)C)O)NC(=O)CN(C)C)O.C([C@@H](C(=O)O)N)C(=O)O.C([C@@H](C(=O)O)N)C(=O)O,"InChI=1S/C67H103N5O19.2C4H7NO4/c1-42-21-19-17-15-13-11-9-10-12-14-16-18-20-22-54(89-66-63(85)61(62(84)44(3)88-66)70-58(82)41-72(7)8)38-57-60(65(86)69-29-30-71(5)6)56(81)40-67(87,91-57)39-53(79)35-51(77)33-49(75)31-48(74)32-50(76)34-52(78)37-59(83)90-64(42)43(2)23-28-47(73)36-55(80)45-24-26-46(68-4)27-25-45;2*5-2(4(8)9)1-3(6)7/h9-22,24-27,42-44,47-49,51-54,56-57,60-64,66,68,73-75,77-79,81,84-85,87H,23,28-41H2,1-8H3,(H,69,86)(H,70,82);2*2H,1,5H2,(H,6,7)(H,8,9)/b10-9+,13-11+,14-12+,17-15+,18-16+,21-19+,22-20+;;/t42-,43-,44+,47?,48+,49-,51-,52+,53-,54-,56-,57-,60+,61-,62+,63-,64-,66-,67+;2*2-/m000/s1",HJBVLNMWGIWYNV-POVBORLISA-N,C75H117N7O27,1548.8,1547.799741,,568,2560,0,19,32,23,109,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Acridinecarboxamide, N-(4-(2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl)phenyl)-9,10-dihydro-5-methoxy-9-oxo-",143664-11-3,119373,"N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-methoxy-9-oxo-10H-acridine-4-carboxamide",COC1=CC=CC2=C1NC3=C(C2=O)C=CC=C3C(=O)NC4=CC=C(C=C4)CCN5CCC6=CC(=C(C=C6C5)OC)OC,"InChI=1S/C34H33N3O5/c1-40-28-9-5-7-26-32(28)36-31-25(33(26)38)6-4-8-27(31)34(39)35-24-12-10-21(11-13-24)14-16-37-17-15-22-18-29(41-2)30(42-3)19-23(22)20-37/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)(H,36,38)",OSFCMRGOZNQUSW-UHFFFAOYSA-N,C34H33N3O5,563.6,563.2420212,5.6,89.1,925,0,2,7,8,42,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-Oxireno(c)(1)benzopyran-2-one, 1a,7b-dihydro-",143873-69-2,126771,"1a,7b-dihydrooxireno[2,3-c]chromen-2-one",C1=CC=C2C(=C1)C3C(O3)C(=O)O2,"InChI=1S/C9H6O3/c10-9-8-7(12-8)5-3-1-2-4-6(5)11-9/h1-4,7-8H",YGDJSRSAEUNWRE-UHFFFAOYSA-N,C9H6O3,162.14,162.031694,1,38.8,226,0,0,3,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indole-3-ethanamine, N,N-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-",144034-80-0,5078,"N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine",CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3,"InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3",ULFRLSNUDGIQQP-UHFFFAOYSA-N,C15H19N5,269.34,269.1640456,1.7,49.7,309,0,1,3,5,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,0,0,1,1
"Benzamide, 3-(cyclopentyloxy)-N-(3,5-dichloro-4-pyridinyl)-4-methoxy-",144035-83-6,154575,"3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide",COC1=C(C=C(C=C1)C(=O)NC2=C(C=NC=C2Cl)Cl)OC3CCCC3,"InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)",RRRUXBQSQLKHEL-UHFFFAOYSA-N,C18H18Cl2N2O3,381.2,380.0694478,4.2,60.5,438,0,1,4,5,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridinium, 1-(((4-(aminocarbonyl)pyridinio)methoxy)methyl)-2-((hydroxyimino)methyl)-, dimethanesulfonate (salt)",144252-71-1,135490237,1-[[2-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-carboxamide;methanesulfonate,CS(=O)(=O)[O-].CS(=O)(=O)[O-].C1=CC=[N+](C(=C1)/C=N/O)COC[N+]2=CC=C(C=C2)C(=O)N,"InChI=1S/C14H14N4O3.2CH4O3S/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20;2*1-5(2,3)4/h1-9H,10-11H2,(H-,15,19);2*1H3,(H,2,3,4)",KSZUKDJWBYNHBO-UHFFFAOYSA-N,C16H22N4O9S2,478.5,478.0828206,,224,435,0,2,10,6,31,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"Benzoic acid, 4-iodo-2-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-, methyl ester, monosodium salt",144550-36-7,16760189,"sodium (5-iodo-2-methoxycarbonylphenyl)sulfonyl-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]azanide",CC1=NC(=NC(=N1)OC)NC(=O)[N-]S(=O)(=O)C2=C(C=CC(=C2)I)C(=O)OC.[Na+],"InChI=1S/C14H14IN5O6S.Na/c1-7-16-12(19-14(17-7)26-3)18-13(22)20-27(23,24)10-6-8(15)4-5-9(10)11(21)25-2;/h4-6H,1-3H3,(H2,16,17,18,19,20,22);/q;+1/p-1",JUJFQMPKBJPSFZ-UHFFFAOYSA-M,C14H13IN5NaO6S,529.24,528.9529,,147,651,0,1,10,6,28,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Piperidineethanol, 4-(2-benzothiazolylmethylamino)-alpha-((3,4-difluorophenoxy)methyl)-, (alpha-S)-",144665-07-6,65998,"(2S)-1-[4-[1,3-benzothiazol-2-yl(methyl)amino]piperidin-1-yl]-3-(3,4-difluorophenoxy)propan-2-ol",CN(C1CCN(CC1)C[C@@H](COC2=CC(=C(C=C2)F)F)O)C3=NC4=CC=CC=C4S3,"InChI=1S/C22H25F2N3O2S/c1-26(22-25-20-4-2-3-5-21(20)30-22)15-8-10-27(11-9-15)13-16(28)14-29-17-6-7-18(23)19(24)12-17/h2-7,12,15-16,28H,8-11,13-14H2,1H3/t16-/m0/s1",OZFSWVOEXHGDES-INIZCTEOSA-N,C22H25F2N3O2S,433.5,433.1635546,4.7,77.1,541,0,1,8,7,30,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester",144689-63-4,130881,"(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate",CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O,"InChI=1S/C29H30N6O6/c1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26/h6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34)",UQGKUQLKSCSZGY-UHFFFAOYSA-N,C29H30N6O6,558.6,558.2226827,3.8,154,969,0,2,10,11,41,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
"(1,1'-Biphenyl)-2-carboxylic acid, 4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidazol)-1'-yl)methyl)-",144701-48-4,65999,2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid,CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5C,"InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)",RMMXLENWKUUMAY-UHFFFAOYSA-N,C33H30N4O2,514.6,514.2368762,6.9,72.9,831,0,1,4,7,39,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0
omega-Agatoxin IVA,145017-83-0,56841669,"(4S)-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(1R,1aS,4S,7R,10S,13S,16S,22S,25S,28R,31S,34R,39R,42S,48S,57S,60S,63R,66S,72S,75S,78S,81S,84S,87R,92R,95S)-87-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-60,78-bis(4-aminobutyl)-25-(2-amino-2-oxoethyl)-4,13,84-tris[(2S)-butan-2-yl]-1a,66,95-tris(3-carbamimidamidopropyl)-31-(2-carboxyethyl)-75-(carboxymethyl)-22,48-bis[(1R)-1-hydroxyethyl]-10-(hydroxymethyl)-72-[(4-hydroxyphenyl)methyl]-57-(1H-indol-3-ylmethyl)-81-methyl-16-(2-methylsulfanylethyl)-2,2a,5,5a,8,11,12a,14,17,20,23,26,29,32,41,47,50,53,56,59,62,65,68,71,74,77,80,83,86,93,96,99-dotriacontaoxo-8a,9a,14a,15a,36,37,89,90-octathia-a,3,3a,6,6a,9,11a,12,15,18,21,24,27,30,33,40,46,49,52,55,58,61,64,67,70,73,76,79,82,85,94,97-dotriacontazapentacyclo[61.43.4.47,28.239,92.042,46]hexadecahectane-34-carbonyl]amino]-6-aminohexanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-[[2-[[(2S)-1-[[2-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid",CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H]3C(=O)N[C@H]4CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N1)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC4=O)CCCNC(=N)N)CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)N3)[C@@H](C)O)CC6=CNC7=CC=CC=C76)CCCCN)CCCNC(=N)N)CC8=CC=C(C=C8)O)CC(=O)O)CCCCN)C)[C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N)C(=O)N[C@@H](CCCCN)C(=O)N9CCC[C@H]9C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)[C@@H](C)CC)CCSC)[C@@H](C)O)CC(=O)N,"InChI=1S/C217H360N68O60S10/c1-21-111(11)168-206(337)247-115(15)174(305)254-128(48-28-34-70-219)185(316)268-144(89-167(303)304)193(324)266-141(86-119-59-61-121(289)62-60-119)181(312)246-94-159(293)250-127(55-41-77-236-216(230)231)183(314)271-147-101-349-348-100-146-202(333)283-171(114(14)24-4)209(340)277-152-106-354-350-102-148(274-192(323)143(88-156(225)290)269-210(341)172(117(17)287)278-164(298)98-244-179(310)135(67-81-346-19)262-207(338)170(113(13)23-3)281-195(326)145(99-286)270-200(152)331)198(329)260-134(64-66-166(301)302)189(320)272-150(199(330)264-137(52-32-38-74-223)211(342)284-79-43-57-154(284)204(335)261-132(56-42-78-237-217(232)233)187(318)265-140(85-110(9)10)194(325)280-169(112(12)22-2)208(339)263-136(68-82-347-20)190(321)259-133(63-65-165(299)300)178(309)243-95-160(294)251-138(83-108(5)6)180(311)245-96-161(295)252-139(84-109(7)8)191(322)248-116(16)213(344)345)104-352-353-105-151(276-205(336)155-58-44-80-285(155)212(343)173(118(18)288)279-163(297)92-239-157(291)91-240-182(313)142(87-120-90-238-124-47-26-25-45-122(120)124)267-186(317)130(258-197(147)328)50-30-36-72-221)201(332)275-149(196(327)256-126(54-40-76-235-215(228)229)177(308)242-93-158(292)249-125(53-39-75-234-214(226)227)176(307)241-97-162(296)253-146)103-351-355-107-153(203(334)282-168)273-188(319)131(51-31-37-73-222)257-184(315)129(49-29-35-71-220)255-175(306)123(224)46-27-33-69-218/h25-26,45,47,59-62,90,108-118,123,125-155,168-173,238,286-289H,21-24,27-44,46,48-58,63-89,91-107,218-224H2,1-20H3,(H2,225,290)(H,239,291)(H,240,313)(H,241,307)(H,242,308)(H,243,309)(H,244,310)(H,245,311)(H,246,312)(H,247,337)(H,248,322)(H,249,292)(H,250,293)(H,251,294)(H,252,295)(H,253,296)(H,254,305)(H,255,306)(H,256,327)(H,257,315)(H,258,328)(H,259,321)(H,260,329)(H,261,335)(H,262,338)(H,263,339)(H,264,330)(H,265,318)(H,266,324)(H,267,317)(H,268,316)(H,269,341)(H,270,331)(H,271,314)(H,272,320)(H,273,319)(H,274,323)(H,275,332)(H,276,336)(H,277,340)(H,278,298)(H,279,297)(H,280,325)(H,281,326)(H,282,334)(H,283,333)(H,299,300)(H,301,302)(H,303,304)(H,344,345)(H4,226,227,234)(H4,228,229,235)(H4,230,231,236)(H4,232,233,237)/t111-,112-,113-,114-,115-,116-,117+,118+,123-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,168-,169-,170-,171-,172-,173-/m0/s1",NVVFOMZVLALQKT-JYRRICCISA-N,C217H360N68O60S10,5202,5200.448342,-20.7,2320,12500,0,74,81,111,355,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Kaliotoxin,145199-73-1,90488859,"6-amino-2-[[1-[2-[[47-[[6-amino-2-[[2-[[4-amino-2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-15,39,75,92-tetrakis(4-aminobutyl)-81-(2-amino-2-oxoethyl)-65-(3-amino-3-oxopropyl)-33-benzyl-30,78-bis(3-carbamimidamidopropyl)-18-(carboxymethyl)-50,56-bis(hydroxymethyl)-4-(1H-imidazol-4-ylmethyl)-21-methyl-89-(2-methylpropyl)-27,84-bis(2-methylsulfanylethyl)-2,5,13,16,19,22,25,28,31,34,37,40,48,51,54,57,63,66,74,77,80,83,86,87,90,93,99-heptacosaoxo-9,10,44,45,70,71-hexathia-a,3,6,14,17,20,23,26,29,32,35,38,41,49,52,55,58,64,67,73,76,79,82,85,88,91,94-heptacosazapentacyclo[40.30.14.1412,68.058,62.094,98]hectane-7-carbonyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid",CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC1CSSCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC3CSSCC(C(=O)NC(C(=O)NC(C(=O)N4CCCC4C(=O)NC(CSSCC(NC(=O)C(NC3=O)CC5=CNC=N5)C(=O)NC(C(C)O)C(=O)N6CCCC6C(=O)NC(CCCCN)C(=O)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N2)CCCCN)CC7=CC=CC=C7)CCCNC(=N)N)CCSC)C)CC(=O)O)CCCCN)CCCCN)CC(C)C)NC(=O)C(NC(=O)C8CCCN8C(=O)C(NC(=O)CNC(=O)C(NC1=O)CO)CO)CCC(=O)N)CCCCN)CCCNC(=N)N)CC(=O)N)CCSC)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)C)NC(=O)CN,"InChI=1S/C171H283N55O49S8/c1-13-89(8)134(222-148(253)101(48-50-130(237)238)204-163(268)132(87(4)5)220-126(233)72-178)165(270)212-110(70-125(181)232)153(258)221-133(88(6)7)164(269)203-97(39-20-26-56-175)144(249)216-117-82-281-278-79-114-154(259)201-103(52-65-277-12)147(252)210-109(69-124(180)231)152(257)199-98(42-29-59-187-170(182)183)140(245)197-96(38-19-25-55-174)143(248)215-116-81-280-279-80-115(217-145(250)100(47-49-123(179)230)202-160(265)120-44-32-62-225(120)167(272)113(78-228)196-129(236)76-191-138(243)112(77-227)213-158(117)263)156(261)207-106(66-86(2)3)150(255)205-104(40-21-27-57-176)166(271)224-61-31-45-121(224)162(267)219-118(83-282-283-84-119(218-151(256)108(209-157(116)262)68-93-73-186-85-192-93)159(264)223-135(91(10)229)168(273)226-63-33-46-122(226)161(266)206-105(169(274)275)41-22-28-58-177)155(260)200-95(37-18-24-54-173)141(246)211-111(71-131(239)240)149(254)193-90(9)136(241)189-74-127(234)195-102(51-64-276-11)146(251)198-99(43-30-60-188-171(184)185)142(247)208-107(67-92-34-15-14-16-35-92)137(242)190-75-128(235)194-94(139(244)214-114)36-17-23-53-172/h14-16,34-35,73,85-91,94-122,132-135,227-229H,13,17-33,36-72,74-84,172-178H2,1-12H3,(H2,179,230)(H2,180,231)(H2,181,232)(H,186,192)(H,189,241)(H,190,242)(H,191,243)(H,193,254)(H,194,235)(H,195,234)(H,196,236)(H,197,245)(H,198,251)(H,199,257)(H,200,260)(H,201,259)(H,202,265)(H,203,269)(H,204,268)(H,205,255)(H,206,266)(H,207,261)(H,208,247)(H,209,262)(H,210,252)(H,211,246)(H,212,270)(H,213,263)(H,214,244)(H,215,248)(H,216,249)(H,217,250)(H,218,256)(H,219,267)(H,220,233)(H,221,258)(H,222,253)(H,223,264)(H,237,238)(H,239,240)(H,274,275)(H4,182,183,187)(H4,184,185,188)",VRARWAGTAUYUOO-UHFFFAOYSA-N,C171H283N55O49S8,4150,4147.914295,-21.5,1890,9630,0,57,67,85,283,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Piperidinecarboxylic acid, 1-(4,4-bis(3-methyl-2-thienyl)-3-butenyl)-, hydrochloride, (R)-",145821-59-6,91274,"(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid;hydrochloride",CC1=C(SC=C1)C(=CCCN2CCC[C@H](C2)C(=O)O)C3=C(C=CS3)C.Cl,"InChI=1S/C20H25NO2S2.ClH/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23;/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23);1H/t16-;/m1./s1",YUKARLAABCGMCN-PKLMIRHRSA-N,C20H26ClNO2S2,412,411.1093491,,97,474,0,2,5,6,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Dibenz(b,f)(1,4)oxazepine-10(11H)-carboxylic acid, 8-chloro-, 2-(3-((2-furanylmethyl)thio)-1-oxopropyl)hydrazide",146032-79-3,9933831,"3-chloro-N'-[3-(furan-2-ylmethylsulfanyl)propanoyl]-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide",C1C2=CC=CC=C2OC3=C(N1C(=O)NNC(=O)CCSCC4=CC=CO4)C=C(C=C3)Cl,"InChI=1S/C22H20ClN3O4S/c23-16-7-8-20-18(12-16)26(13-15-4-1-2-6-19(15)30-20)22(28)25-24-21(27)9-11-31-14-17-5-3-10-29-17/h1-8,10,12H,9,11,13-14H2,(H,24,27)(H,25,28)",CQBVTZDISUKDSX-UHFFFAOYSA-N,C22H20ClN3O4S,457.9,457.086305,3.5,109,628,0,2,5,5,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"L-Glutamic acid, N-(4-(1-((2,4-diamino-6-pteridinyl)methyl)-3-butynyl)benzoyl)-",146464-95-1,148121,"(2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl]amino]pentanedioic acid",C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,"InChI=1S/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14?,16-/m0/s1",OGSBUKJUDHAQEA-WMCAAGNKSA-N,C23H23N7O5,477.5,477.1760669,-0.9,207,809,0,5,11,10,35,,,0,1,1,1,0,1,0,1,0,0,1,0,0,1,0,0,1,0,1,1
Gelatinase A,146480-35-5,4222,3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoic acid,C1=CC=C(C=C1)CC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3,"InChI=1S/C21H19NO4S/c23-21(24)20(15-16-7-3-1-4-8-16)22-27(25,26)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20,22H,15H2,(H,23,24)",JBYHBQIDTNHWJF-UHFFFAOYSA-N,C21H19NO4S,381.4,381.1034793,4.1,91.9,565,0,2,5,7,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"3H-Imidazo(4,5-h)isoquinolin-2-amine, 3-methyl-",147293-14-9,154632,"3-methylimidazo[4,5-h]isoquinolin-2-amine",CN1C2=C(C3=C(C=C2)C=CN=C3)N=C1N,"InChI=1S/C11H10N4/c1-15-9-3-2-7-4-5-13-6-8(7)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)",XZSISKRWSRRUHV-UHFFFAOYSA-N,C11H10N4,198.22,198.0905463,1.3,56.7,245,0,1,3,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-Imidazo(4,5-f)isoquinolin-2-amine, 3-methyl-",147293-15-0,154633,"3-methylimidazo[4,5-f]isoquinolin-2-amine",CN1C2=C(C3=C(C=C2)C=NC=C3)N=C1N,"InChI=1S/C11H10N4/c1-15-9-3-2-7-6-13-5-4-8(7)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)",ADHARTAVWVLWEN-UHFFFAOYSA-N,C11H10N4,198.22,198.0905463,1.3,56.7,245,0,1,3,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butanoic acid, 2,2-dimethyl-, 3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro(4.5)dec-3-en-4-yl ester",148477-71-8,177863,"[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate",CCC(C)(C)C(=O)OC1=C(C(=O)OC12CCCCC2)C3=C(C=C(C=C3)Cl)Cl,"InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(14-9-8-13(22)12-15(14)23)18(24)27-21(17)10-6-5-7-11-21/h8-9,12H,4-7,10-11H2,1-3H3",DTDSAWVUFPGDMX-UHFFFAOYSA-N,C21H24Cl2O4,411.3,410.1051646,5.9,52.6,634,0,0,4,5,27,,,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,1,1,0
"Benzamide, N-(4-((7-chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl)carbonyl)-3-methylphenyl)-2-methyl-",150683-30-0,216237,"N-[4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide",CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)O)C,"InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)",GYHCTFXIZSNGJT-UHFFFAOYSA-N,C26H25ClN2O3,448.9,448.1553704,4.8,69.6,673,0,2,3,3,32,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1H-Indol-5-amine, 3-(((2R)-1-methyl-2-pyrrolidinyl)methyl)-N-(3-nitro-2-pyridinyl)-",151272-90-1,5487088,3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine,CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)NC4=C(C=CC=N4)[N+](=O)[O-],"InChI=1S/C19H21N5O2/c1-23-9-3-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19-18(24(25)26)5-2-8-20-19/h2,5-8,11-12,15,21H,3-4,9-10H2,1H3,(H,20,22)/t15-/m1/s1",YPFIYPNOWVPAPR-OAHLLOKOSA-N,C19H21N5O2,351.4,351.1695249,4.1,89.8,499,0,2,5,4,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Pyrrolidineacetic acid, 2-((aminocarbonyl)imino)-, ethyl ester, monohydrochloride",151602-31-2,9588893,ethyl 2-[(2E)-2-carbamoyliminopyrrolidin-1-yl]acetate;hydrochloride,CCOC(=O)CN\1CCC/C1=N\C(=O)N.Cl,"InChI=1S/C9H15N3O3.ClH/c1-2-15-8(13)6-12-5-3-4-7(12)11-9(10)14;/h2-6H2,1H3,(H2,10,14);1H/b11-7+;",MSFBGOHAOJYYPI-RVDQCCQOSA-N,C9H16ClN3O3,249.69,249.0880191,,85,288,0,2,3,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(3H)-Furanone, 4-(beta-D-glucopyranosyloxy)dihydro-, (4R)-",151870-74-5,10422896,"(4R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one",C1[C@H](COC1=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,"InChI=1S/C10H16O8/c11-2-5-7(13)8(14)9(15)10(18-5)17-4-1-6(12)16-3-4/h4-5,7-11,13-15H,1-3H2/t4-,5-,7-,8+,9-,10-/m1/s1",MQEPWBMWFIVRPS-ZGSHZZHUSA-N,C10H16O8,264.23,264.0845175,-2.4,126,308,0,4,8,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phenol, 4-(4-(4-fluorophenyl)-5-(4-pyridinyl)-1H-imidazol-2-yl)-",152121-30-7,5169,4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol,C1=CC(=CC=C1C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)O,"InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)",QHKYPYXTTXKZST-UHFFFAOYSA-N,C20H14FN3O,331.3,331.1120902,3.7,61.8,415,0,2,4,3,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, N-(1-methyl-1H-indol-5-yl)-N'-(3-methyl-5-isothiazolyl)-",152239-46-8,3277600,"1-(1-methylindol-5-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea",CC1=NSC(=C1)NC(=O)NC2=CC3=C(C=C2)N(C=C3)C,"InChI=1S/C14H14N4OS/c1-9-7-13(20-17-9)16-14(19)15-11-3-4-12-10(8-11)5-6-18(12)2/h3-8H,1-2H3,(H2,15,16,19)",USFUFHFQWXDVMH-UHFFFAOYSA-N,C14H14N4OS,286.35,286.0888323,2.4,87.2,367,0,2,3,2,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Propenamide, N-((5-alpha,6-beta)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl)-3-(3-furanyl)-N-methyl-, monohydrochloride, (2E)-",152658-17-8,6918287,"(E)-N-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-N-methylprop-2-enamide;hydrochloride",CN([C@@H]1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)O)C(=O)/C=C/C7=COC=C7.Cl,"InChI=1S/C28H32N2O5.ClH/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17;/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3;1H/b7-4+;/t20-,22-,26+,27+,28-;/m1./s1",DJSFYNINGIMKAG-FQJQBBMWSA-N,C28H33ClN2O5,513,512.2077999,,86.4,893,0,3,6,5,36,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"Spiro(1-azabicyclo(2.2.2)octane-3,5'-(1,3)oxathiolane), 2'-methyl-, hydrochloride,hydrate (2:1), cis-",153504-70-2,73416227,"bis((2S,5S)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]);hydrate;dihydrochloride",C[C@H]1O[C@@]2(CN3CCC2CC3)CS1.C[C@H]1O[C@@]2(CN3CCC2CC3)CS1.O.Cl.Cl,"InChI=1S/2C10H17NOS.2ClH.H2O/c2*1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11;;;/h2*8-9H,2-7H2,1H3;2*1H;1H2/t2*8-,10-;;;/m00.../s1",ZSTLCHCDLIUXJE-ZGBAEQJLSA-N,C20H38Cl2N2O3S2,489.6,488.1700908,,76.5,215,0,3,7,0,29,,,0,0,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Benzoic acid, 4-(1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl)-",153559-49-0,82146,"4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid",CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C,"InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)",NAVMQTYZDKMPEU-UHFFFAOYSA-N,C24H28O2,348.5,348.2089301,7.6,37.3,551,0,1,2,3,26,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
"2H-3,1-Benzoxazin-2-one, 6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-, (4S)-",154598-52-4,64139,"(4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one",C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F,"InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1",XPOQHMRABVBWPR-ZDUSSCGKSA-N,C14H9ClF3NO2,315.67,315.0273907,4,38.3,519,0,1,5,1,21,,,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,1,0
"5-Heptenamide, 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((1E,3S)-3-hydroxy-5-phenyl-1-pentenyl)cyclopentyl)-N-ethyl-, (5Z)-",155206-00-1,5311027,"(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide",CCNC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](CCC2=CC=CC=C2)O)O)O,"InChI=1S/C25H37NO4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,16-17,20-24,27-29H,2,4,9,12-15,18H2,1H3,(H,26,30)/b8-3-,17-16+/t20-,21+,22+,23-,24+/m0/s1",AQOKCDNYWBIDND-FTOWTWDKSA-N,C25H37NO4,415.6,415.2722587,2.8,89.8,541,0,4,4,12,30,,,0,1,0,1,0,0,0,1,0,0,1,0,0,1,0,0,0,0,0,0
"2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester,(5S-(5R*,8R*,10R*,11R*))-",155213-67-5,392622,"1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate",CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O,"InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1",NCDNCNXCDXHOMX-XGKFQTDJSA-N,C37H48N6O5S2,720.9,720.312761,6,202,1040,0,4,9,18,50,,,0,1,1,1,0,1,0,1,0,0,0,0,0,1,0,0,0,0,0,0
"Avermectin b', 4''-deoxy-4''-(methylamino)-, (4''R)-, benzoate (salt)",155569-91-8,11650986,"benzoic acid;(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-4-methoxy-5-[(2S,4S,5S,6S)-4-methoxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one",CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)NC)OC)OC)\C)C.C1=CC=C(C=C1)C(=O)O,"InChI=1S/C49H75NO13.C7H6O2/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39;8-7(9)6-4-2-1-3-5-6/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3;1-5H,(H,8,9)/b14-13+,28-16+,33-15+;/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45-,46+,48+,49+;/m0./s1",GCKZANITAMOIAR-XWVCPFKXSA-N,C56H81NO15,1008.2,1007.560621,,199,1850,0,4,16,10,72,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,1
"Benzoic acid, 4-(7,8,9,10-tetrahydro-5,7,7,10,10-pentamethyl-5H-benzo(e)naphtho(2,3-b)(1,4)diazepin-13-yl)-",155877-83-1,10410894,"4-(5,7,7,10,10-pentamethyl-8,9-dihydronaphtho[2,3-b][1,4]benzodiazepin-13-yl)benzoic acid",CC1(CCC(C2=CC3=C(C=C21)N=C(C4=CC=CC=C4N3C)C5=CC=C(C=C5)C(=O)O)(C)C)C,"InChI=1S/C29H30N2O2/c1-28(2)14-15-29(3,4)22-17-25-23(16-21(22)28)30-26(18-10-12-19(13-11-18)27(32)33)20-8-6-7-9-24(20)31(25)5/h6-13,16-17H,14-15H2,1-5H3,(H,32,33)",YZZAIQOVMHVWBS-UHFFFAOYSA-N,C29H30N2O2,438.6,438.2307282,7.4,52.9,778,0,1,4,2,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-Pyrrolizine-5-acetic acid, 2,3-dihydro-6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-",156897-06-2,133021,"2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid",CC1(CC2=C(C(=C(N2C1)CC(=O)O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C,"InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)",UAWXGRJVZSAUSZ-UHFFFAOYSA-N,C23H22ClNO2,379.9,379.1339066,5.2,42.2,536,0,1,2,4,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopentanecarboxylic acid, 1-((3S,4R)-3-((1,1'-biphenyl)-4-ylmethyl)-3,4-dihydro-4-hydroxy-2H-1-benzopyran-7-yl)-",158081-99-3,9867257,"1-[(3S,4R)-4-hydroxy-3-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-chromen-7-yl]cyclopentane-1-carboxylic acid",C1CCC(C1)(C2=CC3=C(C=C2)[C@@H]([C@H](CO3)CC4=CC=C(C=C4)C5=CC=CC=C5)O)C(=O)O,"InChI=1S/C28H28O4/c29-26-22(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)18-32-25-17-23(12-13-24(25)26)28(27(30)31)14-4-5-15-28/h1-3,6-13,17,22,26,29H,4-5,14-16,18H2,(H,30,31)/t22-,26+/m0/s1",KMNLXCBYBKHKSK-BKMJKUGQSA-N,C28H28O4,428.5,428.1987594,5.5,66.8,627,0,2,4,5,32,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"L-Phenylalaninamide, N-acetyl-L-tyrosyl-L-threonyl-L-seryl-L-leucyl-L-isoleucyl-L-histidyl-L-seryl-L-leucyl-L-isoleucyl-L-alpha-glutamyl-L-alpha-glutamyl-L-seryl-L-glutaminyl-L-asparaginyl-L-glutaminyl-L-glutaminyl-L-alpha-glutamyl-L-lysyl-L-asparaginyl-L-alpha-glutamyl-L-glutaminyl-L-alpha-glutamyl-L-leucyl-L-leucyl-L-alpha-glutamyl-L-leucyl-L-alpha-aspartyl-L-lysyl-L-tryptophyl-L-alanyl-L-seryl-L-leucyl-L-tryptophyl-L-asparaginyl-L-tryptophyl-",159519-65-0,16130199,"(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid",CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC8=CN=CN8)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)C,"InChI=1S/C204H301N51O64/c1-20-102(15)166(253-195(310)137(75-100(11)12)239-200(315)150(93-258)251-190(305)143(82-112-90-215-95-219-112)248-203(318)167(103(16)21-2)254-196(311)138(76-101(13)14)240-201(316)151(94-259)252-204(319)168(105(18)260)255-197(312)139(221-106(19)261)78-108-45-47-113(262)48-46-108)202(317)233-131(58-68-164(280)281)178(293)228-130(57-67-163(278)279)182(297)250-149(92-257)198(313)232-125(52-62-155(210)266)179(294)245-145(84-157(212)268)191(306)229-124(51-61-154(209)265)175(290)224-122(49-59-152(207)263)173(288)226-126(53-63-159(270)271)176(291)222-120(43-31-33-69-205)172(287)244-144(83-156(211)267)192(307)231-127(54-64-160(272)273)177(292)225-123(50-60-153(208)264)174(289)227-128(55-65-161(274)275)180(295)235-134(72-97(5)6)185(300)237-133(71-96(3)4)184(299)230-129(56-66-162(276)277)181(296)236-135(73-98(7)8)187(302)247-147(86-165(282)283)194(309)223-121(44-32-34-70-206)171(286)241-140(79-109-87-216-117-40-28-25-37-114(109)117)183(298)220-104(17)170(285)249-148(91-256)199(314)238-136(74-99(9)10)186(301)242-142(81-111-89-218-119-42-30-27-39-116(111)119)189(304)246-146(85-158(213)269)193(308)243-141(80-110-88-217-118-41-29-26-38-115(110)118)188(303)234-132(169(214)284)77-107-35-23-22-24-36-107/h22-30,35-42,45-48,87-90,95-105,120-151,166-168,216-218,256-260,262H,20-21,31-34,43-44,49-86,91-94,205-206H2,1-19H3,(H2,207,263)(H2,208,264)(H2,209,265)(H2,210,266)(H2,211,267)(H2,212,268)(H2,213,269)(H2,214,284)(H,215,219)(H,220,298)(H,221,261)(H,222,291)(H,223,309)(H,224,290)(H,225,292)(H,226,288)(H,227,289)(H,228,293)(H,229,306)(H,230,299)(H,231,307)(H,232,313)(H,233,317)(H,234,303)(H,235,295)(H,236,296)(H,237,300)(H,238,314)(H,239,315)(H,240,316)(H,241,286)(H,242,301)(H,243,308)(H,244,287)(H,245,294)(H,246,304)(H,247,302)(H,248,318)(H,249,285)(H,250,297)(H,251,305)(H,252,319)(H,253,310)(H,254,311)(H,255,312)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)/t102-,103-,104-,105+,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,166-,167-,168-/m0/s1",PEASPLKKXBYDKL-FXEVSJAOSA-N,C204H301N51O64,4492,4491.193354,-14.7,1900,11200,0,63,67,151,319,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Glycine, N-((1R)-2-((2S)-2-((((4-(aminoiminomethyl)phenyl)methyl)amino)carbonyl)-1-azetidinyl)-1-cyclohexyl-2-oxoethyl)-",159776-70-2,183797,2-[[(1R)-2-[(2S)-2-[(4-carbamimidoylphenyl)methylcarbamoyl]azetidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]acetic acid,C1CCC(CC1)[C@H](C(=O)N2CC[C@H]2C(=O)NCC3=CC=C(C=C3)C(=N)N)NCC(=O)O,"InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1",DKWNMCUOEDMMIN-PKOBYXMFSA-N,C22H31N5O4,429.5,429.2376045,-1,149,671,0,5,6,9,31,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"7H-Pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidin-5-amine, 2-(2-furanyl)-7-(2-phenylethyl)-",160098-96-4,176408,"4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine",C1=CC=C(C=C1)CCN2C3=C(C=N2)C4=NC(=NN4C(=N3)N)C5=CC=CO5,"InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)",UTLPKQYUXOEJIL-UHFFFAOYSA-N,C18H15N7O,345.4,345.1338081,2.4,100,488,0,1,6,4,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Insulin (human), 21(A)-glycine-30(B)a-L-argininge-30(B)b-L-arginine-",160337-95-1,118984454,"(4S)-4-[[2-[[(1R,6R,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42R,47R,50S,53S,56S,59S,62S,65S,68S,71S,74R,77S,80S,83S,88R)-88-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-6-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-methylpentanoyl]amino]-53-(2-amino-2-oxoethyl)-62-(3-amino-3-oxopropyl)-77-[(2S)-butan-2-yl]-24,56-bis(2-carboxyethyl)-47-(carboxymethylcarbamoyl)-83-[(1R)-1-hydroxyethyl]-12,71,80-tris(hydroxymethyl)-33,50,65-tris[(4-hydroxyphenyl)methyl]-15-(1H-imidazol-4-ylmethyl)-27-methyl-18,30,36,59,68-pentakis(2-methylpropyl)-7,10,13,16,19,22,25,28,31,34,37,40,49,52,55,58,61,64,67,70,73,76,79,82,85,87-hexacosaoxo-21,39-di(propan-2-yl)-3,4,44,45,90,91-hexathia-8,11,14,17,20,23,26,29,32,35,38,41,48,51,54,57,60,63,66,69,72,75,78,81,84,86-hexacosazabicyclo[72.11.7]dononacontane-42-carbonyl]amino]acetyl]amino]-5-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[(2S)-2-[[(2S)-6-amino-1-[[(2S,3R)-1-[[(2S)-5-carbamimidamido-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-oxopentanoic acid",CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)CC(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)CC4=CC=C(C=C4)O)C(=O)NCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)CC(C)C)CC9=CC=C(C=C9)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC2=CNC=N2)CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=CC=C2)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)[C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN,"InChI=1S/C267H404N72O78S6/c1-29-137(23)212(330-199(355)109-269)260(412)334-211(136(21)22)256(408)305-166(79-86-206(365)366)226(378)298-163(75-82-196(273)352)230(382)326-190-122-421-422-123-191-251(403)322-185(117-341)249(401)312-170(94-129(7)8)234(386)313-176(101-146-57-65-152(346)66-58-146)237(389)299-161(73-80-194(271)350)227(379)308-169(93-128(5)6)232(384)301-165(78-85-205(363)364)229(381)320-182(107-197(274)353)244(396)316-178(103-148-61-69-154(348)70-62-148)240(392)325-188(222(374)290-115-207(367)368)120-418-420-121-189(221(373)288-112-200(356)294-160(76-83-203(359)360)225(377)297-157(53-42-88-284-265(276)277)219(371)287-113-201(357)295-174(99-144-48-36-32-37-49-144)236(388)315-175(100-145-50-38-33-39-51-145)239(391)317-179(104-149-63-71-155(349)72-64-149)247(399)338-216(142(28)345)263(415)339-91-45-56-193(339)254(406)302-158(52-40-41-87-268)231(383)336-214(140(26)343)261(413)303-159(54-43-89-285-266(278)279)224(376)306-167(264(416)417)55-44-90-286-267(280)281)328-258(410)210(135(19)20)333-245(397)172(96-131(11)12)310-238(390)177(102-147-59-67-153(347)68-60-147)314-233(385)168(92-127(3)4)307-217(369)139(25)293-223(375)164(77-84-204(361)362)304-255(407)209(134(17)18)332-246(398)173(97-132(13)14)311-242(394)181(106-151-111-283-126-292-151)319-248(400)184(116-340)296-202(358)114-289-220(372)187(119-419-423-124-192(327-252(190)404)253(405)337-215(141(27)344)262(414)323-186(118-342)250(402)335-213(138(24)30-2)259(411)329-191)324-235(387)171(95-130(9)10)309-241(393)180(105-150-110-282-125-291-150)318-228(380)162(74-81-195(272)351)300-243(395)183(108-198(275)354)321-257(409)208(133(15)16)331-218(370)156(270)98-143-46-34-31-35-47-143/h31-39,46-51,57-72,110-111,125-142,156-193,208-216,340-349H,29-30,40-45,52-56,73-109,112-124,268-270H2,1-28H3,(H2,271,350)(H2,272,351)(H2,273,352)(H2,274,353)(H2,275,354)(H,282,291)(H,283,292)(H,287,371)(H,288,373)(H,289,372)(H,290,374)(H,293,375)(H,294,356)(H,295,357)(H,296,358)(H,297,377)(H,298,378)(H,299,389)(H,300,395)(H,301,384)(H,302,406)(H,303,413)(H,304,407)(H,305,408)(H,306,376)(H,307,369)(H,308,379)(H,309,393)(H,310,390)(H,311,394)(H,312,401)(H,313,386)(H,314,385)(H,315,388)(H,316,396)(H,317,391)(H,318,380)(H,319,400)(H,320,381)(H,321,409)(H,322,403)(H,323,414)(H,324,387)(H,325,392)(H,326,382)(H,327,404)(H,328,410)(H,329,411)(H,330,355)(H,331,370)(H,332,398)(H,333,397)(H,334,412)(H,335,402)(H,336,383)(H,337,405)(H,338,399)(H,359,360)(H,361,362)(H,363,364)(H,365,366)(H,367,368)(H,416,417)(H4,276,277,284)(H4,278,279,285)(H4,280,281,286)/t137-,138-,139-,140+,141+,142+,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,208-,209-,210-,211-,212-,213-,214-,215-,216-/m0/s1",COCFEDIXXNGUNL-RFKWWTKHSA-N,C267H404N72O78S6,6063,6060.825118,-14.1,2590,15300,0,85,92,191,423,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"Acetamide, N-(1-(3-((3R)-1-benzoyl-3-(3,4-dichlorophenyl)-3-piperidinyl)propyl)-4-phenyl-4-piperidinyl)-N-methyl-, (+)-",160492-56-8,219077,"N-[1-[3-[(3R)-1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]-N-methylacetamide",CC(=O)N(C)C1(CCN(CC1)CCC[C@@]2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5,"InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1",DZOJBGLFWINFBF-UMSFTDKQSA-N,C35H41Cl2N3O2,606.6,605.2575829,7,43.9,897,0,0,3,8,42,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Indole-7-carboxamide, 1-(3-hydroxypropyl)-2,3-dihydro-5-((2R)-2-((2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethyl)amino)propyl)-, (-)-",160970-54-7,5312125,"1-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carboxamide",C[C@H](CC1=CC2=C(C(=C1)C(=O)N)N(CC2)CCCO)NCCOC3=CC=CC=C3OCC(F)(F)F,"InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1",PNCPYILNMDWPEY-QGZVFWFLSA-N,C25H32F3N3O4,495.5,495.234491,3.6,97.1,654,0,3,9,13,35,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,1
"4H-Imidazol-4-one, 3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-, (5S)-",161326-34-7,10403199,(5S)-3-anilino-5-methyl-2-methylsulfanyl-5-phenylimidazol-4-one,C[C@@]1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1",LMVPQMGRYSRMIW-KRWDZBQOSA-N,C17H17N3OS,311.4,311.1092334,4.1,70,441,0,1,4,4,22,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,4-Thiazolidinedione, 5-((6-((2-fluorophenyl)methoxy)-2-naphthalenyl)methyl)-",161600-01-7,204109,"5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione",C1=CC=C(C(=C1)COC2=CC3=C(C=C2)C=C(C=C3)CC4C(=O)NC(=O)S4)F,"InChI=1S/C21H16FNO3S/c22-18-4-2-1-3-16(18)12-26-17-8-7-14-9-13(5-6-15(14)11-17)10-19-20(24)23-21(25)27-19/h1-9,11,19H,10,12H2,(H,23,24,25)",PKWDZWYVIHVNKS-UHFFFAOYSA-N,C21H16FNO3S,381.4,381.0834927,4.9,80.7,560,0,1,5,5,27,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamic acid, ((1S,2R)-3-(((4-aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-, (3S)-tetrahydro-3-furanyl ester",161814-49-9,65016,"[(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate",CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)N,"InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1",YMARZQAQMVYCKC-OEMFJLHTSA-N,C25H35N3O6S,505.6,505.224657,2.9,140,745,0,3,8,12,35,,,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Benzamide, 3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-",162401-32-3,449193,"3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide",C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)OC(F)F,"InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)",MNDBXUUTURYVHR-UHFFFAOYSA-N,C17H14Cl2F2N2O3,403.2,402.034954,4.6,60.5,475,0,1,6,7,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-Thiazolecarboxamide, N-(cyano-2-thienylmethyl)-4-ethyl-2-(ethylamino)-",162650-77-3,11174640,"N-[cyano(thiophen-2-yl)methyl]-4-ethyl-2-(ethylamino)-1,3-thiazole-5-carboxamide",CCC1=C(SC(=N1)NCC)C(=O)NC(C#N)C2=CC=CS2,"InChI=1S/C14H16N4OS2/c1-3-9-12(21-14(18-9)16-4-2)13(19)17-10(8-15)11-6-5-7-20-11/h5-7,10H,3-4H2,1-2H3,(H,16,18)(H,17,19)",NQRFDNJEBWAUBL-UHFFFAOYSA-N,C14H16N4OS2,320.4,320.0765535,3.3,134,411,0,2,6,6,21,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2-Azetidinone, 1-(4-fluorophenyl)-3-((3S)-3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)-, (3R,4S)-",163222-33-1,150311,"(3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one",C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@@H](C4=CC=C(C=C4)F)O)O,"InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1",OLNTVTPDXPETLC-XPWALMASSA-N,C24H21F2NO3,409.4,409.1489499,4,60.8,567,0,2,5,6,30,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Isoxazolecarboxylic acid, 4,5-dihydro-5,5-diphenyl-, ethyl ester",163520-33-0,6451155,"ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate",CCOC(=O)C1=NOC(C1)(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C18H17NO3/c1-2-21-17(20)16-13-18(22-19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3",MWKVXOJATACCCH-UHFFFAOYSA-N,C18H17NO3,295.3,295.1208434,3.5,47.9,402,0,0,4,5,22,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Benzofuran-2-carboxamide, 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)piperazin-1-yl)-, hydrochloride",163521-08-2,6918313,5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride,C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N.Cl,"InChI=1S/C26H27N5O2.ClH/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32;/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32);1H",RPZBRGFNBNQSOP-UHFFFAOYSA-N,C26H28ClN5O2,478,477.1931528,,102,729,0,3,5,7,34,,,1,1,1,1,0,1,1,1,0,0,0,0,0,1,0,0,1,0,1,0
"Piperidine, 4-(1H-imidazol-4-ylmethyl)-, dihydrobromide",164391-47-3,22315065,4-(1H-imidazol-5-ylmethyl)piperidine;dihydrobromide,C1CNCCC1CC2=CN=CN2.Br.Br,"InChI=1S/C9H15N3.2BrH/c1-3-10-4-2-8(1)5-9-6-11-7-12-9;;/h6-8,10H,1-5H2,(H,11,12);2*1H",YGNJPNRDGXJQJX-UHFFFAOYSA-N,C9H17Br2N3,327.06,326.97687,,40.7,132,0,4,2,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Indeno(5,4-f)quinoline-7-carboxamide, N-(2,5-bis(trifluoromethyl)phenyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-",164656-23-9,6918296,"(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F)CC[C@@H]5[C@@]3(C=CC(=O)N5)C,"InChI=1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15-,16-,17-,19+,21+,24-,25+/m0/s1",JWJOTENAMICLJG-QWBYCMEYSA-N,C27H30F6N2O2,528.5,528.2211472,5.4,58.2,964,0,2,8,2,37,,,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"1,4-Benzenedisulfonamide, N-(3-chloro-1H-indol-7-yl)",165668-41-7,216468,"4-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide",C1=CC2=C(C(=C1)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N)NC=C2Cl,"InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)",SETFNECMODOHTO-UHFFFAOYSA-N,C14H12ClN3O4S2,385.8,384.9957759,1.8,139,650,0,3,6,4,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Echinocandin B, 1-((4R,5R)-4,5-dihydroxy-N2-((4''-(pentyloxy)(1,1':4',1''-terphenyl)-4-yl)carbonyl)-L-ornithine)-",166663-25-8,166548,"N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-[4-(4-pentoxyphenyl)phenyl]benzamide",CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC=C(C=C7)O)O)O)[C@@H](C)O)C)O)O)O,"InChI=1S/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33-10-8-32(9-11-33)34-12-14-37(15-13-34)51(74)59-41-26-43(70)54(77)63-56(79)47-48(71)29(2)27-65(47)58(81)45(31(4)67)61-55(78)46(50(73)49(72)36-16-20-38(68)21-17-36)62-53(76)42-25-39(69)28-64(42)57(80)44(30(3)66)60-52(41)75/h8-23,29-31,39,41-50,54,66-73,77H,5-7,24-28H2,1-4H3,(H,59,74)(H,60,75)(H,61,78)(H,62,76)(H,63,79)/t29-,30+,31+,39+,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,54+/m0/s1",JHVAMHSQVVQIOT-MFAJLEFUSA-N,C58H73N7O17,1140.2,1139.506294,2.3,377,2150,0,14,17,14,82,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,0,0,0,0
"Benzamide, N-(3-chloro-4-(5H-pyrrolo(2,1-c)(1,4)benzodiazepin-10(11H)-ylcarbonyl)phenyl)-5-fluoro-2-methyl-",168079-32-1,172997,"N-[3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide",CC1=C(C=C(C=C1)F)C(=O)NC2=CC(=C(C=C2)C(=O)N3CC4=CC=CN4CC5=CC=CC=C53)Cl,"InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)",PPHTXRNHTVLQED-UHFFFAOYSA-N,C27H21ClFN3O2,473.9,473.1306328,4.8,54.3,753,0,1,3,3,34,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Spinosad,168316-95-8,17754356,"(1S,2S,5R,7S,9S,10S,14R,15S,19S)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-4,14-dimethyl-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione;(1S,2R,5S,7R,9R,10S,14R,15S,19S)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-14-methyl-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione",CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C.CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C(=C[C@H]3[C@@H]2CC(=O)O1)C)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C,"InChI=1S/C42H67NO10.C41H65NO10/c1-11-26-13-12-14-35(53-37-16-15-34(43(6)7)24(4)49-37)23(3)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(2)28-18-27(19-30(28)31)52-42-41(48-10)40(47-9)39(46-8)25(5)50-42;1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h17,20,23-32,34-35,37,39-42H,11-16,18-19,21H2,1-10H3;14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+;22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m11/s1",JFLRKDZMHNBDQS-SGSTVUCESA-N,C83H132N2O20,1477.9,1476.937345,,222,2620,0,0,22,18,105,,801.515°C,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-(1-(2-pyridinylmethyl)-4-piperidinyl)-1H-indol-3-yl)-",170364-57-5,176167,"3-(1-methylindol-3-yl)-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrole-2,5-dione",CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7,"InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39)",AXRCEOKUDYDWLF-UHFFFAOYSA-N,C32H29N5O2,515.6,515.2321252,3.7,72.2,974,0,1,4,5,39,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,4-Triazol-3-one, 4-(4-(4-(4-((3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)tetrahydro-3-furanylmethoxy)phenyl)-1-piperazinyl)phenyl)-2-((1S,2S)-1-ethyl-2-hydroxypropyl)-2,4-dihydro-",171228-49-2,468595,"4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one",CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F,"InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1",RAGOYPUPXAKGKH-XAKZXMRKSA-N,C37H42F2N8O4,700.8,700.3297082,4.6,112,1170,0,1,11,12,51,,,1,0,0,0,0,1,1,1,0,0,0,0,0,1,0,0,0,0,1,0
"10H,13H-Benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-10,13-dione, 1-amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-, (1S,9S)-, monomethanesulfonate (salt)",171335-80-1,151115,"(10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione",CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O,"InChI=1S/C24H22FN3O4/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19/h6-7,16,31H,3-5,8-9,26H2,1-2H3/t16-,24-/m0/s1",ZVYVPGLRVWUPMP-FYSMJZIKSA-N,C24H22FN3O4,435.4,435.1594344,0.4,106,950,0,2,7,1,32,,,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0
"beta-Alanine, N-(2-((4-ethoxybenzoyl)amino)-1-oxo-3-phenyl-2-propenyl)-",172798-54-8,6449059,3-[[(Z)-2-[(4-ethoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]propanoic acid,CCOC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CC=C2)/C(=O)NCCC(=O)O,"InChI=1S/C21H22N2O5/c1-2-28-17-10-8-16(9-11-17)20(26)23-18(14-15-6-4-3-5-7-15)21(27)22-13-12-19(24)25/h3-11,14H,2,12-13H2,1H3,(H,22,27)(H,23,26)(H,24,25)/b18-14-",BQSQOFVZGRKIHC-JXAWBTAJSA-N,C21H22N2O5,382.4,382.1528718,2.5,105,561,0,3,5,9,28,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrazolo(3,4-d)pyrimidin-4-amine, 3-(4-chlorophenyl)-1-(1,1-dimethylethyl)-",172889-27-9,4878,"1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine",CC(C)(C)N1C2=NC=NC(=C2C(=N1)C3=CC=C(C=C3)Cl)N,"InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)",PBBRWFOVCUAONR-UHFFFAOYSA-N,C15H16ClN5,301.77,301.1094232,3,69.6,364,0,1,4,2,21,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"Indolo(3,2-b)carbazole-6-carboxaldehyde, 5,11-dihydro-",172922-91-7,1863,"5,11-dihydroindolo[3,2-b]carbazole-12-carbaldehyde",C1=CC=C2C(=C1)C3=CC4=C(C5=CC=CC=C5N4)C(=C3N2)C=O,"InChI=1S/C19H12N2O/c22-10-14-18-12-6-2-4-8-16(12)20-17(18)9-13-11-5-1-3-7-15(11)21-19(13)14/h1-10,20-21H",ZUDXFBWDXVNRKF-UHFFFAOYSA-N,C19H12N2O,284.3,284.094963,4.3,48.7,453,0,2,1,1,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Benzoimidazole, 5-ethoxy-2-((2-(4-morpholinyl)ethyl)thio)-",173352-21-1,9862937,4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine,CCOC1=CC2=C(C=C1)N=C(N2)SCCN3CCOCC3,"InChI=1S/C15H21N3O2S/c1-2-20-12-3-4-13-14(11-12)17-15(16-13)21-10-7-18-5-8-19-9-6-18/h3-4,11H,2,5-10H2,1H3,(H,16,17)",WWNUCVSRRUDYPP-UHFFFAOYSA-N,C15H21N3O2S,307.4,307.1354481,2.3,75.7,315,0,1,5,6,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, (3-(4-chlorophenyl)-2-((2,4-dichlorobenzoyl)imino)-4-oxo-5-thiazolidinylidene)-, methyl ester",173904-50-2,25015749,"methyl (2E)-2-[3-(4-chlorophenyl)-2-(2,4-dichlorobenzoyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]acetate",COC(=O)/C=C/1\C(=O)N(C(=NC(=O)C2=C(C=C(C=C2)Cl)Cl)S1)C3=CC=C(C=C3)Cl,"InChI=1S/C19H11Cl3N2O4S/c1-28-16(25)9-15-18(27)24(12-5-2-10(20)3-6-12)19(29-15)23-17(26)13-7-4-11(21)8-14(13)22/h2-9H,1H3/b15-9+,23-19?",SDGLYCKTPKZBGI-DALCUZTNSA-N,C19H11Cl3N2O4S,469.7,467.950511,5.5,101,737,0,0,5,4,29,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Quinolinecarboxamide, 3-hydroxy-2-phenyl-N-(1-phenylpropyl)-, (S)-(-)-",174636-32-9,5311424,3-hydroxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide,CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)O,"InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1",BIAVGWDGIJKWRM-FQEVSTJZSA-N,C25H22N2O2,382.5,382.1681279,5.7,62.2,527,0,2,3,5,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Benzimidazol-2-amine, 5,6-dichloro-N-(1-methylethyl)-1-beta-L-ribofuranosyl-",176161-24-3,471161,"(2S,3S,4R,5S)-2-[5,6-dichloro-2-(propan-2-ylamino)benzimidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol",CC(C)NC1=NC2=CC(=C(C=C2N1[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)O)Cl)Cl,"InChI=1S/C15H19Cl2N3O4/c1-6(2)18-15-19-9-3-7(16)8(17)4-10(9)20(15)14-13(23)12(22)11(5-21)24-14/h3-4,6,11-14,21-23H,5H2,1-2H3,(H,18,19)/t11-,12-,13-,14-/m0/s1",KJFBVJALEQWJBS-XUXIUFHCSA-N,C15H19Cl2N3O4,376.2,375.0752615,2.2,99.8,447,0,4,6,4,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"Benzonitrile, 4-((6-methoxy-2-(4-methoxyphenyl)-3-benzofuranyl)carbonyl)-",176977-56-3,5311257,4-[6-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]benzonitrile,COC1=CC=C(C=C1)C2=C(C3=C(O2)C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)C#N,"InChI=1S/C24H17NO4/c1-27-18-9-7-17(8-10-18)24-22(20-12-11-19(28-2)13-21(20)29-24)23(26)16-5-3-15(14-25)4-6-16/h3-13H,1-2H3",RYNSGDFWBJWWSZ-UHFFFAOYSA-N,C24H17NO4,383.4,383.115758,5,72.5,612,0,0,5,5,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propanoic acid, 2-((4,6-dimethyl-2-pyrimidinyl)oxy)-3-methoxy-3,3-diphenyl-",177036-94-1,6918493,"(2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoic acid",CC1=CC(=NC(=N1)O[C@H](C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C,"InChI=1S/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1",OUJTZYPIHDYQMC-LJQANCHMSA-N,C22H22N2O4,378.4,378.1579572,3.8,81.5,475,0,1,6,7,28,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Pyridine, 2-(3-(2,6-dichloro-4-((3,3-dichloro-2-propenyl)oxy)phenoxy)propoxy)-5-(trifluoromethyl)-",179101-81-6,11488729,"2-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-5-(trifluoromethyl)pyridine",C1=CC(=NC=C1C(F)(F)F)OCCCOC2=C(C=C(C=C2Cl)OCC=C(Cl)Cl)Cl,"InChI=1S/C18H14Cl4F3NO3/c19-13-8-12(27-7-4-15(21)22)9-14(20)17(13)29-6-1-5-28-16-3-2-11(10-26-16)18(23,24)25/h2-4,8-10H,1,5-7H2",AEHJMNVBLRLZKK-UHFFFAOYSA-N,C18H14Cl4F3NO3,491.1,490.965038,7.1,40.6,511,0,0,7,9,29,,227 °C (decomposes),1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"7-Benzofurancarboxamide, 4-amino-5-chloro-2,3-dihydro-N-(1-(3-methoxypropyl)-4-piperidinyl)-",179474-81-8,3052762,"4-amino-5-chloro-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide",COCCCN1CCC(CC1)NC(=O)C2=CC(=C(C3=C2OCC3)N)Cl,"InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)",ZPMNHBXQOOVQJL-UHFFFAOYSA-N,C18H26ClN3O3,367.9,367.1662694,2,76.8,445,0,2,5,6,25,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzeneacetamide, N-(((cyclopropylmethoxy)imino)(2,3-difluoro-6-(trifluoromethyl)phenyl)methyl)-, (Z)-",180409-60-3,135515530,"N-[(Z)-N-(cyclopropylmethoxy)-C-[2,3-difluoro-6-(trifluoromethyl)phenyl]carbonimidoyl]-2-phenylacetamide",C1CC1CO/N=C(/C2=C(C=CC(=C2F)F)C(F)(F)F)\NC(=O)CC3=CC=CC=C3,"InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)",ACMXQHFNODYQAT-UHFFFAOYSA-N,C20H17F5N2O2,412.4,412.1210186,5,50.7,588,0,1,8,7,29,,,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4,6-Pyrimidinediamine, 5-chloro-N-(cyclopropylmethyl)-2-methyl-N-propyl-N'-(2,4,6-trichlorophenyl)-",184241-44-9,176157,"5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine",CCCN(CC1CC1)C2=NC(=NC(=C2Cl)NC3=C(C=C(C=C3Cl)Cl)Cl)C,"InChI=1S/C18H20Cl4N4/c1-3-6-26(9-11-4-5-11)18-15(22)17(23-10(2)24-18)25-16-13(20)7-12(19)8-14(16)21/h7-8,11H,3-6,9H2,1-2H3,(H,23,24,25)",KNADXBVKFAUMCR-UHFFFAOYSA-N,C18H20Cl4N4,434.2,434.041257,7.1,41.1,441,0,1,4,7,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Quinazolinamine, N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-",184475-35-2,123631,N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine,COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4,"InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)",XGALLCVXEZPNRQ-UHFFFAOYSA-N,C22H24ClFN4O3,446.9,446.1520965,4.1,68.7,545,0,1,8,8,31,,,1,0,0,1,0,1,1,1,0,0,0,0,0,1,0,0,1,0,1,0
"2-Propenamide, 3-(3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)-N-((4-methoxyphenyl)methyl)-",185259-85-2,6160690,(E)-3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide,CN(C)CCC1=CNC2=C1C=C(C=C2)/C=C/C(=O)NCC3=CC=C(C=C3)OC,"InChI=1S/C23H27N3O2/c1-26(2)13-12-19-16-24-22-10-6-17(14-21(19)22)7-11-23(27)25-15-18-4-8-20(28-3)9-5-18/h4-11,14,16,24H,12-13,15H2,1-3H3,(H,25,27)/b11-7+",LBVZWEWTNUDWNS-YRNVUSSQSA-N,C23H27N3O2,377.5,377.2103271,3.2,57.4,514,0,2,3,8,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-((((3-(4-(3-methoxyphenyl)-1-piperidinyl)propyl)amino)carbonyl)amino)phenyl)-2,6-dimethyl-, dimethyl ester",186185-03-5,9960164,"dimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)NC(=O)NCCCN3CCC(CC3)C4=CC(=CC=C4)OC)C(=O)OC,"InChI=1S/C33H42N4O6/c1-21-28(31(38)42-4)30(29(22(2)35-21)32(39)43-5)25-10-6-11-26(19-25)36-33(40)34-15-8-16-37-17-13-23(14-18-37)24-9-7-12-27(20-24)41-3/h6-7,9-12,19-20,23,30,35H,8,13-18H2,1-5H3,(H2,34,36,40)",WMYSXJSJXZFODY-UHFFFAOYSA-N,C33H42N4O6,590.7,590.3104351,4.2,118,1010,0,3,8,12,43,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Pyridinesulfonamide, N-(3-methoxy-5-methylpyrazinyl)-2-(4-(1,3,4-oxadiazol-2-yl)phenyl)-",186497-07-4,9910224,"N-(3-methoxy-5-methylpyrazin-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-sulfonamide",CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4,"InChI=1S/C19H16N6O4S/c1-12-10-21-17(19(23-12)28-2)25-30(26,27)15-4-3-9-20-16(15)13-5-7-14(8-6-13)18-24-22-11-29-18/h3-11H,1-2H3,(H,21,25)",FJHHZXWJVIEFGJ-UHFFFAOYSA-N,C19H16N6O4S,424.4,424.0953742,1.4,141,654,0,1,10,6,30,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"2H-Indol-2-one, 3-(5-chloro-2-methoxyphenyl)-3-fluoro-1,3-dihydro-6-trifluoromethyl-, (3S)-",187523-35-9,214350,(3S)-3-(5-chloro-2-methoxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one,COC1=C(C=C(C=C1)Cl)[C@]2(C3=C(C=C(C=C3)C(F)(F)F)NC2=O)F,"InChI=1S/C16H10ClF4NO2/c1-24-13-5-3-9(17)7-11(13)15(18)10-4-2-8(16(19,20)21)6-12(10)22-14(15)23/h2-7H,1H3,(H,22,23)/t15-/m0/s1",ULYONBAOIMCNEH-HNNXBMFYSA-N,C16H10ClF4NO2,359.7,359.0336189,4.2,38.3,503,0,1,6,2,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrrole-1-butanoic acid, beta-(4-chlorophenyl)-",187870-25-3,10825475,3-(4-chlorophenyl)-4-pyrrol-1-ylbutanoic acid,C1=CN(C=C1)CC(CC(=O)O)C2=CC=C(C=C2)Cl,"InChI=1S/C14H14ClNO2/c15-13-5-3-11(4-6-13)12(9-14(17)18)10-16-7-1-2-8-16/h1-8,12H,9-10H2,(H,17,18)",WYOSTIMAWGMEOL-UHFFFAOYSA-N,C14H14ClNO2,263.72,263.0713064,2.5,42.2,271,0,1,2,5,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Cyclopentene-1-methanol, 4-(2-amino-6-(cyclopropylamino)-9H-purin-9-yl)-, (1S,4R)-, sulfate (2:1) (salt)",188062-50-2,441384,"bis([(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol);sulfuric acid",C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO.C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO.OS(=O)(=O)O,"InChI=1S/2C14H18N6O.H2O4S/c2*15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21;1-5(2,3)4/h2*1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19);(H2,1,2,3,4)/t2*8-,10+;/m11./s1",WMHSRBZIJNQHKT-FFKFEZPRSA-N,C28H38N12O6S,670.7,670.2757982,,287,496,0,8,16,8,47,,,0,0,0,0,0,1,0,1,0,0,1,0,0,1,0,0,0,1,0,0
"2(1H)-Quinolinone, 6-((R)-amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl)-4-(3-chlorophenyl)-1-methyl-",192185-72-1,159324,6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one,CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N,"InChI=1S/C27H22Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-16H,30H2,1-2H3/t27-/m1/s1",PLHJCIYEEKOWNM-HHHXNRCGSA-N,C27H22Cl2N4O,489.4,488.1170667,4.1,64.2,785,0,1,3,4,34,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"3-Thiomorpholinecarboxamide, N-hydroxy-2,2-dimethyl-4-((4-(4-pyridinyloxy)phenyl)sulfonyl)-, (3S)-",192329-42-3,466151,"(3S)-N-hydroxy-2,2-dimethyl-4-(4-pyridin-4-yloxyphenyl)sulfonylthiomorpholine-3-carboxamide",CC1([C@@H](N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=NC=C3)C(=O)NO)C,"InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1",YKPYIPVDTNNYCN-INIZCTEOSA-N,C18H21N3O5S2,423.5,423.0922631,1.5,143,638,0,2,8,5,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"1H-Purin-2-amine, 6-(4-bromothenyloxy)-",192441-08-0,3025944,6-[(4-bromothiophen-2-yl)methoxy]-7H-purin-2-amine,C1=C(SC=C1Br)COC2=NC(=NC3=C2NC=N3)N,"InChI=1S/C10H8BrN5OS/c11-5-1-6(18-3-5)2-17-9-7-8(14-4-13-7)15-10(12)16-9/h1,3-4H,2H2,(H3,12,13,14,15,16)",JUJPKFNFCWJBCX-UHFFFAOYSA-N,C10H8BrN5OS,326.17,324.96329,2,118,299,0,2,6,3,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrimidine-2,7-diamine, N7-((tert-butylamino)methyl)-6-(3,5-dimethoxyphenyl)pyrido(2,3-d)-",192705-79-6,5328127,"1-[2-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea",CC(C)(C)NC(=O)NC1=C(C=C2C=NC(=NC2=N1)N)C3=CC(=CC(=C3)OC)OC,"InChI=1S/C20H24N6O3/c1-20(2,3)26-19(27)25-17-15(8-12-10-22-18(21)24-16(12)23-17)11-6-13(28-4)9-14(7-11)29-5/h6-10H,1-5H3,(H4,21,22,23,24,25,26,27)",NHJSWORVNIOXIT-UHFFFAOYSA-N,C20H24N6O3,396.4,396.1909887,2.3,124,545,0,3,7,5,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Piperidinecarboxamide, 4-(2-(4-((11R)-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-yl)-1-piperidinyl)-2-oxoethyl)-",193275-84-2,148195,"4-[2-[4-[(2R)-6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide",C1CN(CCC1CC(=O)N2CCC(CC2)[C@@H]3C4=C(CCC5=C3N=CC(=C5)Br)C=C(C=C4Br)Cl)C(=O)N,"InChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1",DHMTURDWPRKSOA-RUZDIDTESA-N,C27H31Br2ClN4O2,638.8,638.04818,4.8,79.5,790,0,1,3,3,36,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Thieno(2,3-c)pyridine-3,6(5H)-dicarboxylic acid, 2-amino-4,7-dihydro-, 6-(1,1-dimethylethyl) 3-ethyl ester",193537-14-3,2794740,"6-O-tert-butyl 3-O-ethyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate",CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OC(C)(C)C)N,"InChI=1S/C15H22N2O4S/c1-5-20-13(18)11-9-6-7-17(8-10(9)22-12(11)16)14(19)21-15(2,3)4/h5-8,16H2,1-4H3",XSXVOVXVHBSSSN-UHFFFAOYSA-N,C15H22N2O4S,326.4,326.1300284,2.8,110,438,0,1,6,5,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-15-((2R,4R,6S,8S)-4-(1,1-difluoroethyl)-1,3,4,5,6.7,8,9-octahydro-8-(methoxycarbonyl)-2,6-methano-2H-azecino(4,3-b)indol-8-yl)-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2-beta,3-beta,4-beta,5-alpha,12-beta,19-alpha)-, (2R,3R)-2,3-dihydroxybutanedioate (1:2)",194468-36-5,16220212,"bis((2R,3R)-2,3-dihydroxybutanedioic acid);methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-4-[(12S,14S,16R)-16-(1,1-difluoroethyl)-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate",CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)[C@]6(C[C@@H]7C[C@H](CN(C7)CC8=C6NC9=CC=CC=C89)C(C)(F)F)C(=O)OC)OC)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C45H54F2N4O8.2C4H6O6/c1-8-42-14-11-16-51-17-15-43(36(42)51)30-19-31(34(56-5)20-33(30)49(4)37(43)45(55,40(54)58-7)38(42)59-25(2)52)44(39(53)57-6)21-26-18-27(41(3,46)47)23-50(22-26)24-29-28-12-9-10-13-32(28)48-35(29)44;2*5-1(3(7)8)2(6)4(9)10/h9-14,19-20,26-27,36-38,48,55H,8,15-18,21-24H2,1-7H3;2*1-2,5-6H,(H,7,8)(H,9,10)/t26-,27+,36-,37+,38+,42+,43+,44-,45-;2*1-,2-/m011/s1",YIHUEPHBPPAAHH-IIQAEXPMSA-N,C53H66F2N4O20,1117.1,1116.423847,,364,1850,0,10,25,16,79,,,0,0,0,1,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0
"Benzenesulfonamide, N,3-dimethyl-N-((1R)-1-methyl-3-(4-methyl-1-piperidinyl)propyl)-",195199-95-2,5312148,"N,3-dimethyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide",CC1CCN(CC1)CC[C@@H](C)N(C)S(=O)(=O)C2=CC=CC(=C2)C,"InChI=1S/C18H30N2O2S/c1-15-8-11-20(12-9-15)13-10-17(3)19(4)23(21,22)18-7-5-6-16(2)14-18/h5-7,14-15,17H,8-13H2,1-4H3/t17-/m1/s1",AGVNHDNTFYHZNL-QGZVFWFLSA-N,C18H30N2O2S,338.5,338.2027994,3.5,49,452,0,0,4,6,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Propanamide, N-(2-((8S)-1,6,7,8-tetrahydro-2H-indeno(5,4-b)furan-8-yl)ethyl)-",196597-26-9,208902,"N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide",CCC(=O)NCC[C@@H]1CCC2=C1C3=C(C=C2)OCC3,"InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1",YLXDSYKOBKBWJQ-LBPRGKRZSA-N,C16H21NO2,259.34,259.1572289,2.7,38.3,331,0,1,2,4,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 5-(2-azetidnylmethoxy)-2-chloro-, (R)-",198283-73-7,3075702,5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine,C1CN[C@H]1COC2=CN=C(C=C2)Cl,"InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1",MKTAGSRKQIGEBH-SSDOTTSWSA-N,C9H11ClN2O,198.65,198.0559907,1.6,34.2,168,0,1,3,3,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Pyridinesulfonamide, N-(((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)-3-(2,2,2-trifluoroethoxy)-, sodium salt",199119-58-9,23676736,"sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]sulfonyl]azanide",COC1=CC(=NC(=N1)NC(=O)[N-]S(=O)(=O)C2=C(C=CC=N2)OCC(F)(F)F)OC.[Na+],"InChI=1S/C14H14F3N5O6S.Na/c1-26-9-6-10(27-2)20-12(19-9)21-13(23)22-29(24,25)11-8(4-3-5-18-11)28-7-14(15,16)17;/h3-6H,7H2,1-2H3,(H2,19,20,21,22,23);/q;+1/p-1",UFEIWEXHHOXPGP-UHFFFAOYSA-M,C14H13F3N5NaO6S,459.34,459.0436331,,139,641,0,1,13,7,30,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenesulfonamide, 3,4-dimethoxy-N-(4-(3-nitrophenyl)-2-thiazolyl)-",199666-03-0,5282337,"3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide",COC1=C(C=C(C=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])OC,"InChI=1S/C17H15N3O6S2/c1-25-15-7-6-13(9-16(15)26-2)28(23,24)19-17-18-14(10-27-17)11-4-3-5-12(8-11)20(21)22/h3-10H,1-2H3,(H,18,19)",NDPBMCKQJOZAQX-UHFFFAOYSA-N,C17H15N3O6S2,421.5,421.0402276,3.2,160,638,0,1,9,6,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 4-(3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl)-",201530-41-8,214348,"4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid",C1=CC=C(C(=C1)C2=NN(C(=N2)C3=CC=CC=C3O)C4=CC=C(C=C4)C(=O)O)O,"InChI=1S/C21H15N3O4/c25-17-7-3-1-5-15(17)19-22-20(16-6-2-4-8-18(16)26)24(23-19)14-11-9-13(10-12-14)21(27)28/h1-12,25-26H,(H,27,28)",BOFQWVMAQOTZIW-UHFFFAOYSA-N,C21H15N3O4,373.4,373.106256,3.8,108,540,0,3,6,4,28,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3'-Bipyridine, 5-chloro-6'-methyl-3-(4-(methylsulfonyl)phenyl)-",202409-33-4,123619,5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine,CC1=NC=C(C=C1)C2=C(C=C(C=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)C,"InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3",MNJVRJDLRVPLFE-UHFFFAOYSA-N,C18H15ClN2O2S,358.8,358.0542766,3.3,68.3,514,0,0,4,3,24,,,0,1,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"3-Quinolinecarboxamide, N-(2-(((4-(2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl)phenyl)amino)carbonyl)-4,5-dimethoxyphenyl)-",206873-63-4,148201,"N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinoline-3-carboxamide",COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4NC(=O)C5=CC6=CC=CC=C6N=C5)OC)OC)OC,"InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)",LGGHDPFKSSRQNS-UHFFFAOYSA-N,C38H38N4O6,646.7,646.2791349,6.1,111,1040,0,2,8,11,48,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamic acid, ethylmethyl-, (3R)-2,3-dihydro-3-(2-propynylamino)-1H-inden-5-yl ester, (2R,3R)-2,3-dihydroxybutenedioate (2:1)",209394-46-7,11607225,"(2R,3R)-2,3-dihydroxybutanedioic acid;bis([(3R)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate)",CCN(C)C(=O)OC1=CC2=C(CC[C@H]2NCC#C)C=C1.CCN(C)C(=O)OC1=CC2=C(CC[C@H]2NCC#C)C=C1.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/2C16H20N2O2.C4H6O6/c2*1-4-10-17-15-9-7-12-6-8-13(11-14(12)15)20-16(19)18(3)5-2;5-1(3(7)8)2(6)4(9)10/h2*1,6,8,11,15,17H,5,7,9-10H2,2-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t2*15-;1-,2-/m111/s1",PRLVBVAJMQZMJN-OGOSNNLPSA-N,C36H46N4O10,694.8,694.3213937,,198,521,0,6,12,13,50,,,0,1,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"4-Pentenoic acid, 5-((2R,2'R,2''R,3aS,6S,6''S,7aS)-2-((S)-((2R,3R,5S,6S)-6-(1-(((2R,3'R,3aS,5S,5'S,7R,9R,9aS)-hexahydro-3',5',7-trimethylspiro(5,9-epoxy-2H-furo(3,2-b)oxocin-2,2'-piperidin)-5(3H)-yl)methyl)ethenyl)tetrahydro-2-hydroxy-3,5-dimethyl-2H-pyran-2-yl)hydroxymethyl)-2,3,3',3a,4',5'',6,6'',7,7a-decahydro-6-methyldispiro(5H-furo(3,2-b)pyran-5,2'(5'H)-furan-5',2''-(2H)pyran)-6''-yl)-, (4E)-, rel-(-)-",214899-21-5,21593892,,C[C@@H]1C[C@H]2[C@H]3[C@H](C[C@@]4(O3)[C@@H](C[C@@H](CN4)C)C)O[C@@](C1)(O2)CC(=C)[C@@H]5[C@H](C[C@H]([C@@](O5)([C@H]([C@H]6C[C@H]7[C@@H](O6)C[C@@H]([C@@]8(O7)CC[C@@]9(O8)C=CC[C@H](O9)/C=C/CCC(=O)O)C)O)O)C)C,"InChI=1S/C47H71NO12/c1-26-18-36-41-38(24-45(58-41)30(5)17-27(2)25-48-45)56-44(22-26,55-36)23-29(4)40-28(3)19-32(7)47(52,59-40)42(51)37-21-35-34(53-37)20-31(6)46(57-35)16-15-43(60-46)14-10-12-33(54-43)11-8-9-13-39(49)50/h8,10-11,14,26-28,30-38,40-42,48,51-52H,4,9,12-13,15-25H2,1-3,5-7H3,(H,49,50)/b11-8+/t26-,27+,28+,30-,31+,32-,33-,34+,35+,36+,37-,38+,40+,41+,42+,43+,44-,45-,46-,47-/m1/s1",AHFHSIVCLPAESC-SJVADWSCSA-N,C47H71NO12,842.1,841.4976267,3.7,164,1690,0,4,13,9,60,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Olean-1,9(11)-dien-28-oic acid, 2-cyano-3,12-dioxo-, methyl ester",218600-53-4,400769,"methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate",C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)(C)C)C(=O)OC,"InChI=1S/C32H43NO4/c1-27(2)11-13-32(26(36)37-8)14-12-31(7)24(20(32)17-27)21(34)15-23-29(5)16-19(18-33)25(35)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3/t20-,22-,24-,29-,30+,31+,32-/m0/s1",WPTTVJLTNAWYAO-KPOXMGGZSA-N,C32H43NO4,505.7,505.3192089,6.7,84.2,1210,0,0,5,2,37,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"17-Oxa-4-azabicyclo(14.1.0)heptadecane-5,9-dione, 7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-((1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl)-, (1S,3S,7S,10R,11S,12S,16R)-",219989-84-1,6445540,"(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione",C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](NC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C,"InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1",FABUFPQFXZVHFB-PVYNADRNSA-N,C27H42N2O5S,506.7,506.2814436,3.6,140,817,0,3,7,2,35,,,1,0,0,1,0,0,1,0,0,0,1,0,0,1,0,0,0,1,1,0
"3-Quinolinecarboxylic acid, 1-cyclopropyl-8-(difluoromethoxy)-7-((1R)-2,3-dihydro-1-methyl-1H-isoindol-5-yl)-1,4-dihydro-4-oxo-, monomethanesulfonate",223652-82-2,157690,"1-cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid;hydrate",C[C@@H]1C2=C(CN1)C=C(C=C2)C3=C(C4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O)OC(F)F.CS(=O)(=O)O.O,"InChI=1S/C23H20F2N2O4.CH4O3S.H2O/c1-11-15-5-2-12(8-13(15)9-26-11)16-6-7-17-19(21(16)31-23(24)25)27(14-3-4-14)10-18(20(17)28)22(29)30;1-5(2,3)4;/h2,5-8,10-11,14,23,26H,3-4,9H2,1H3,(H,29,30);1H3,(H,2,3,4);1H2/t11-;;/m1../s1",IGTHEWGRXUAFKF-NVJADKKVSA-N,C24H26F2N2O8S,540.5,540.1377933,,143,863,0,4,12,5,37,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"1H-Inden-1-one, 3-(aminomethyl)-6-chloro-2,3-dihydro-, hydrochloride",229014-58-8,11815384,inden-1-one,C1=CC=C2C(=C1)C=CC2=O,InChI=1S/C9H6O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-6H,SNWQUNCRDLUDEX-UHFFFAOYSA-N,C9H6O,130.14,130.0418648,1.9,17.1,181,0,0,1,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Quinazolinamine, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-",231277-92-2,208908,N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine,CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl,"InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)",BCFGMOOMADDAQU-UHFFFAOYSA-N,C29H26ClFN4O4S,581.1,580.1347324,5.1,115,898,0,2,9,11,40,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-1-phenyl-, (3R)-1-azabicyclo(2.2.2)oct-3-yl ester, (1S)-, butanedioate (1:1)",242478-38-2,216457,"[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;butanedioic acid",C1CN2CCC1[C@H](C2)OC(=O)N3CCC4=CC=CC=C4[C@@H]3C5=CC=CC=C5.C(CC(=O)O)C(=O)O,"InChI=1S/C23H26N2O2.C4H6O4/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19;5-3(6)1-2-4(7)8/h1-9,18,21-22H,10-16H2;1-2H2,(H,5,6)(H,7,8)/t21-,22-;/m0./s1",RXZMMZZRUPYENV-VROPFNGYSA-N,C27H32N2O6,480.6,480.2260367,,107,617,0,2,7,6,35,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propanoic acid, 2,2-dimethyl-, 8-(2,6-diethyl-4-methylphenyl)-1,2,4,5-tetrahydro-7-oxo-7H-pyrazolo(1,2-d)(1,4,5)oxadiazepin-9-yl ester",243973-20-8,210326,"[8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate",CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C,"InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3",MGOHCFMYLBAPRN-UHFFFAOYSA-N,C23H32N2O4,400.5,400.2362075,4.6,59.1,652,0,0,5,6,29,,,1,0,1,1,0,0,1,1,0,0,0,0,0,1,0,0,0,1,0,1
"Propanamide, 2-(4-((6-chloro-2-benzoxazolyl)oxy)phenoxy)-N-(2-fluorophenyl)-N-methyl-",256412-89-2,11636326,"(2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide",C[C@H](C(=O)N(C)C1=CC=CC=C1F)OC2=CC=C(C=C2)OC3=NC4=C(O3)C=C(C=C4)Cl,"InChI=1S/C23H18ClFN2O4/c1-14(22(28)27(2)20-6-4-3-5-18(20)25)29-16-8-10-17(11-9-16)30-23-26-19-12-7-15(24)13-21(19)31-23/h3-14H,1-2H3/t14-/m1/s1",ADDQHLREJDZPMT-CQSZACIVSA-N,C23H18ClFN2O4,440.8,440.0939129,5,64.8,606,0,0,6,6,31,,,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,3-Propanediamine, N-(2-(2-(4-methoxyphenyl)ethenyl)-4-quinazolinyl)-N',N'-dimethyl-, dihydrochloride",259199-65-0,9950868,"N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine",CN(C)CCCNC1=NC(=NC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)OC,"InChI=1S/C22H26N4O/c1-26(2)16-6-15-23-22-19-7-4-5-8-20(19)24-21(25-22)14-11-17-9-12-18(27-3)13-10-17/h4-5,7-14H,6,15-16H2,1-3H3,(H,23,24,25)/b14-11+",NIHSNFSFDGHHRG-SDNWHVSQSA-N,C22H26N4O,362.5,362.2106615,4.5,50.3,448,0,1,5,8,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrrol-2,5-dione, 3-((3-chloro-4-hydroxyphenyl)amino)-4-(2-nitrophenyl)-",264218-23-7,4210951,"3-(3-chloro-4-hydroxyanilino)-4-(2-nitrophenyl)pyrrole-2,5-dione",C1=CC=C(C(=C1)C2=C(C(=O)NC2=O)NC3=CC(=C(C=C3)O)Cl)[N+](=O)[O-],"InChI=1S/C16H10ClN3O5/c17-10-7-8(5-6-12(10)21)18-14-13(15(22)19-16(14)23)9-3-1-2-4-11(9)20(24)25/h1-7,21H,(H2,18,19,22,23)",PQCXVIPXISBFPN-UHFFFAOYSA-N,C16H10ClN3O5,359.72,359.0308981,2.8,124,617,0,3,6,3,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2-Cyclopentanediol, 3-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)amino)-5-(propylthio)-3H-1,2,3-triazolo(4,5-d)pyrimidin-3-yl)-5-(2-hydroxyethoxy)-, (1S,2S,3R,5S)-",274693-27-5,9871419,"(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol",CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F,"InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1",OEKWJQXRCDYSHL-FNOIDJSQSA-N,C23H28F2N6O4S,522.6,522.1860809,2,164,736,0,4,12,10,36,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2-Pyrrolidinecarbonitrile, 1-(((3-hydroxytricyclo(3.3.1.1(sup 3,7))dec-1-yl)amino)acetyl)-, (2S)-",274901-16-5,6918537,(2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile,C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N,"InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1",SYOKIDBDQMKNDQ-XWTIBIIYSA-N,C17H25N3O2,303.4,303.1946771,0.9,76.4,523,0,2,4,3,22,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 3-(2-(2-chloro-4-((3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl)methoxy)phenyl)ethenyl)-",278779-30-9,9893571,"3-[(E)-2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]ethenyl]benzoic acid",CC(C)C1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)COC3=CC(=C(C=C3)/C=C/C4=CC(=CC=C4)C(=O)O)Cl,"InChI=1S/C28H22Cl3NO4/c1-16(2)27-21(26(32-36-27)25-22(29)7-4-8-23(25)30)15-35-20-12-11-18(24(31)14-20)10-9-17-5-3-6-19(13-17)28(33)34/h3-14,16H,15H2,1-2H3,(H,33,34)/b10-9+",BYTNEISLBIENSA-MDZDMXLPSA-N,C28H22Cl3NO4,542.8,541.061441,8.3,72.6,742,0,1,5,8,36,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrrole-2,5-dione, 3-(2,4-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-",280744-09-4,176158,"3-(2,4-dichlorophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione",CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl,"InChI=1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25)",JCSGFHVFHSKIJH-UHFFFAOYSA-N,C19H12Cl2N2O2,371.2,370.027583,3.9,51.1,621,0,1,2,2,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Quinolinecarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-1,2-dihydro-7-methoxy-2-oxo-8-(pentyloxy)-",282089-49-0,9867770,"N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide",CCCCCOC1=C(C=CC2=C1NC(=O)C(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)OC,"InChI=1S/C24H26N2O6/c1-3-4-5-10-30-22-19(29-2)9-7-16-12-17(24(28)26-21(16)22)23(27)25-13-15-6-8-18-20(11-15)32-14-31-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28)",GRAJFFFXJYFVOC-UHFFFAOYSA-N,C24H26N2O6,438.5,438.1790866,4.4,95.1,698,0,2,6,9,32,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, N-(3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl)-N'-(4-(2-(4-morpholinyl)ethoxy)-1-naphthalenyl)-",285983-48-4,156422,1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea,CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5,"InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)",MVCOAUNKQVWQHZ-UHFFFAOYSA-N,C31H37N5O3,527.7,527.2896401,5.7,80.7,777,0,2,5,8,39,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Quinazoline, 4-((4-fluoro-2-methyl-1H-indol-5-yl)oxy)-6-methoxy-7-(3-(1-pyrrolidinyl)propoxy)-",288383-20-0,9933475,4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline,CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5,"InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3",XXJWYDDUDKYVKI-UHFFFAOYSA-N,C25H27FN4O3,450.5,450.2067189,4.9,72.5,624,0,1,7,8,33,,,0,1,0,1,0,0,1,0,0,0,0,0,0,1,0,0,1,0,1,0
"5-Thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)-1-piperazinyl)-2-methyl-4-pyrimidinyl)amino)-",302962-49-8,3062316,"N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide",CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO,"InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)",ZBNZXTGUTAYRHI-UHFFFAOYSA-N,C22H26ClN7O2S,488,487.155722,3.6,135,642,0,3,9,7,33,,,0,0,0,1,0,1,1,1,0,0,0,0,0,1,0,0,1,0,1,1
"1H-Pyrrole-2-carbonitrile, 5-(1,4-dihydro-4,4-dimethyl-2-thioxo-2H-3,1-benzoxazin-6-yl)-1-methyl-",304853-42-7,4369524,"5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-1-methylpyrrole-2-carbonitrile",CC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)NC(=S)O1)C,"InChI=1S/C16H15N3OS/c1-16(2)12-8-10(4-6-13(12)18-15(21)20-16)14-7-5-11(9-17)19(14)3/h4-8H,1-3H3,(H,18,21)",PYVFWTPEBMRKSR-UHFFFAOYSA-N,C16H15N3OS,297.4,297.0935833,2.7,82.1,483,0,1,3,1,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,1
"N-(Quinolin-5-yl)acrylamide, (E)-2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-",304896-28-4,2130404,"(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide",C1=CC2=C(C=CC=N2)C(=C1)NC(=O)/C(=C/C3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl)/C#N,"InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+",SVENPFFEMUOOGK-SDNWHVSQSA-N,C23H13Cl2N3O2,434.3,433.0384821,5.9,78.9,706,0,1,4,4,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4,17-Dioxabicyclo(14.1.0)heptadecane-5,9-dione, 7,11-dihydroxy-8,8,12,16-tetramethyl-3-(2-methyl-5-benzothiazolyl)-10-(2-propenyl)-, (1S,3S,7S,10R,11S,12S,16R)-",305841-29-6,11284169,"(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione",C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)CC=C)(C)C)O)C3=CC4=C(C=C3)SC(=N4)C)C,"InChI=1S/C30H41NO6S/c1-7-9-20-27(34)17(2)10-8-13-30(6)25(37-30)15-22(19-11-12-23-21(14-19)31-18(3)38-23)36-26(33)16-24(32)29(4,5)28(20)35/h7,11-12,14,17,20,22,24-25,27,32,34H,1,8-10,13,15-16H2,2-6H3/t17-,20+,22-,24-,25-,27-,30+/m0/s1",BFZKMNSQCNVFGM-UCEYFQQTSA-N,C30H41NO6S,543.7,543.2654592,4.9,137,881,0,2,8,3,38,,,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0
"1H-Pyrazole-3-carboxylic acid, 5-(2-naphthalenyl)-, 2-((2-hydroxy-1-naphthalenyl)methylene)hydrazide",306301-68-8,135515522,N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide,C1=CC=C2C=C(C=CC2=C1)C3=NNC(=C3)C(=O)N/N=C/C4=C(C=CC5=CC=CC=C54)O,"InChI=1S/C25H18N4O2/c30-24-12-11-17-6-3-4-8-20(17)21(24)15-26-29-25(31)23-14-22(27-28-23)19-10-9-16-5-1-2-7-18(16)13-19/h1-15,30H,(H,27,28)(H,29,31)/b26-15+",XOXCTLAKMCIWCF-CVKSISIWSA-N,C25H18N4O2,406.4,406.1429758,5.3,90.4,655,0,3,4,4,31,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Thiophenesulfonamide, N-((E)-(2-hydroxy-1-naphthalenyl)methylene)-",307543-71-1,729483,N-[(2-hydroxynaphthalen-1-yl)methylidene]thiophene-2-sulfonamide,C1=CC=C2C(=C1)C=CC(=C2C=NS(=O)(=O)C3=CC=CS3)O,"InChI=1S/C15H11NO3S2/c17-14-8-7-11-4-1-2-5-12(11)13(14)10-16-21(18,19)15-6-3-9-20-15/h1-10,17H",TVIVJHZHPKNDAQ-UHFFFAOYSA-N,C15H11NO3S2,317.4,317.0180356,3.7,103,486,0,1,5,3,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2(1H)-Quinolinone, 5-((1R)-2-((5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino)-1-hydroxyethyl)-8-hydroxy-",312753-06-3,6918554,"5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one",CCC1=C(C=C2CC(CC2=C1)NC[C@@H](C3=C4C=CC(=O)NC4=C(C=C3)O)O)CC,"InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1",QZZUEBNBZAPZLX-QFIPXVFZSA-N,C24H28N2O3,392.5,392.2099928,3.3,81.6,589,0,4,4,6,29,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-Thiophenecarboxylic acid, 4-((((4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl)amino)sulfonyl)-5-methyl-, methyl ester",317815-83-1,11205153,"methyl 4-[(3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)sulfamoyl]-5-methylthiophene-3-carboxylate",CC1=C(C(=CS1)C(=O)OC)S(=O)(=O)NC(=O)N2C(=O)N(C(=N2)OC)C,"InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18)",XSKZXGDFSCCXQX-UHFFFAOYSA-N,C12H14N4O7S2,390.4,390.0303912,1.2,171,717,0,1,9,5,25,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-(1-methylethyl)-, 1-(O-(2-methylbenzoyl)oxime), (1E)-",321688-88-4,9613592,"[(Z)-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)amino] 2-methylbenzoate",CC1=CC=CC=C1C(=O)O/N=C\2/C=C(C(=O)C=C2C)C(C)C,"InChI=1S/C18H19NO3/c1-11(2)15-10-16(13(4)9-17(15)20)19-22-18(21)14-8-6-5-7-12(14)3/h5-11H,1-4H3/b19-16-",CMOJHDQJJPIVEC-MNDPQUGUSA-N,C18H19NO3,297.3,297.1364935,3.9,55.7,555,0,0,4,4,22,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Imidazo(2,1-b)thiazole-5-carboxaldehyde, 6-(4-chlorophenyl)-, O-((3,4-dichlorophenyl)methyl)oxime",338404-52-7,9600409,"(E)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(3,4-dichlorophenyl)methoxy]methanimine",C1=CC(=CC=C1C2=C(N3C=CSC3=N2)/C=N/OCC4=CC(=C(C=C4)Cl)Cl)Cl,"InChI=1S/C19H12Cl3N3OS/c20-14-4-2-13(3-5-14)18-17(25-7-8-27-19(25)24-18)10-23-26-11-12-1-6-15(21)16(22)9-12/h1-10H,11H2/b23-10+",ZQWBOKJVVYNKTL-AUEPDCJTSA-N,C19H12Cl3N3OS,436.7,434.976666,7.3,67.1,520,0,0,4,5,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Cyclooctakis(1-4)(6-S-(2-carboxyethyl)-6-thio-alpha-D-glucopyranosyl),343306-79-6,6918584,"octasodium;3-[[(1S,3S,5S,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31S,33S,35S,36S,38S,40S,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-10,15,20,25,30,35,40-heptakis(2-carboxylatoethylsulfanylmethyl)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecahydroxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-5-yl]methylsulfanyl]propanoate",C(CSC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O2)[C@@H]([C@H]9O)O)CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])O)O)C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],"InChI=1S/C72H112O48S8.8Na/c73-33(74)1-9-121-17-25-57-41(89)49(97)65(105-25)114-58-26(18-122-10-2-34(75)76)107-67(51(99)43(58)91)116-60-28(20-124-12-4-36(79)80)109-69(53(101)45(60)93)118-62-30(22-126-14-6-38(83)84)111-71(55(103)47(62)95)120-64-32(24-128-16-8-40(87)88)112-72(56(104)48(64)96)119-63-31(23-127-15-7-39(85)86)110-70(54(102)46(63)94)117-61-29(21-125-13-5-37(81)82)108-68(52(100)44(61)92)115-59-27(19-123-11-3-35(77)78)106-66(113-57)50(98)42(59)90;;;;;;;;/h25-32,41-72,89-104H,1-24H2,(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88);;;;;;;;/q;8*+1/p-8/t25-,26-,27-,28-,29-,30-,31-,32-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-;;;;;;;;/m1......../s1",KMGKABOMYQLLDJ-VKHHSAQNSA-F,C72H104Na8O48S8,2178,2176.264429,,995,2790,0,16,56,32,136,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Piperidinecarboxamide, N-(5-(((5-(1,1-dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-",345627-80-7,3025986,"N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide",CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)NC(=O)C3CCNCC3,"InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)",OUSFTKFNBAZUKL-UHFFFAOYSA-N,C17H24N4O2S2,380.5,380.1340684,3,134,454,0,2,7,6,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Bicyclo(3.2.1)octane-2,4-dione, 3-(hydroxy(2-((2-methoxyethoxy)methyl)-6-(trifluoromethyl)-3-pyridinyl)methylidene)-, (1R,5S)-rel-",352010-68-5,11188745,"(1S,5R)-3-[hydroxy-[2-(2-methoxyethoxymethyl)-6-(trifluoromethyl)-3-pyridinyl]methylidene]bicyclo[3.2.1]octane-2,4-dione",COCCOCC1=C(C=CC(=N1)C(F)(F)F)C(=C2C(=O)[C@@H]3CC[C@@H](C3)C2=O)O,"InChI=1S/C19H20F3NO5/c1-27-6-7-28-9-13-12(4-5-14(23-13)19(20,21)22)18(26)15-16(24)10-2-3-11(8-10)17(15)25/h4-5,10-11,26H,2-3,6-9H2,1H3/t10-,11+",AIAYSXFWIUNXRC-PHIMTYICSA-N,C19H20F3NO5,399.4,399.1293572,2,85.7,624,0,1,9,6,28,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"(2,3'-Bithiophene)-5-carboxamide, 4-amino-",354812-17-2,2807869,3-amino-5-thiophen-3-ylthiophene-2-carboxamide,C1=CSC=C1C2=CC(=C(S2)C(=O)N)N,"InChI=1S/C9H8N2OS2/c10-6-3-7(5-1-2-13-4-5)14-8(6)9(11)12/h1-4H,10H2,(H2,11,12)",BMUACLADCKCNKZ-UHFFFAOYSA-N,C9H8N2OS2,224.3,224.0078052,2,126,237,0,2,4,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Methanone, (2-((6-(2-chlorophenoxy)-5-fluoro-4-pyrimidinyl)oxy)phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)-, O-methyloxime, (1E)-",361377-29-9,11048796,"(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine",CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4,"InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+",UFEODZBUAFNAEU-NLRVBDNBSA-N,C21H16ClFN4O5,458.8,458.0793255,5.1,96.7,672,0,0,10,7,32,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Methanone, (5-hydroxy-1,3-dimethyl-1H-pyrazol-4-yl)(2-(methylsulfonyl)-4-(trifluoromethyl)phenyl)-",365400-11-9,11693711,"2,5-dimethyl-4-[2-methylsulfonyl-4-(trifluoromethyl)benzoyl]-1H-pyrazol-3-one",CC1=C(C(=O)N(N1)C)C(=O)C2=C(C=C(C=C2)C(F)(F)F)S(=O)(=O)C,"InChI=1S/C14H13F3N2O4S/c1-7-11(13(21)19(2)18-7)12(20)9-5-4-8(14(15,16)17)6-10(9)24(3,22)23/h4-6,18H,1-3H3",CZRVDACSCJKRFL-UHFFFAOYSA-N,C14H13F3N2O4S,362.33,362.0548126,2,91.9,694,0,1,8,3,24,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2-Thiophenecarboxamide, 5-chloro-N-(((5S)-2-oxo-3-(4-(3-oxo-4-morpholinyl)phenyl)-5-oxazolidinyl)methyl)-",366789-02-8,9875401,"5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide",C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl,"InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1",KGFYHTZWPPHNLQ-AWEZNQCLSA-N,C19H18ClN3O5S,435.9,435.0655696,2.5,116,645,0,1,6,5,29,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"7H-Pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidin-5-amine, 2-(2-furanyl)-7-(2-(4-(4-(2-methoxyethoxy)phenyl)-1-piperazinyl)ethyl)-",377727-87-2,10117987,"4-(furan-2-yl)-10-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine",COCCOC1=CC=C(C=C1)N2CCN(CC2)CCN3C4=C(C=N3)C5=NC(=NN5C(=N4)N)C6=CC=CO6,"InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)",DTYWJKSSUANMHD-UHFFFAOYSA-N,C25H29N9O3,503.6,503.2393358,1.9,125,722,0,1,10,9,37,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,0,0,1,0
"3-Quinolinecarbonitrile, 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-",380843-75-4,5328940,"4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile",CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC,"InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)",UBPYILGKFZZVDX-UHFFFAOYSA-N,C26H29Cl2N5O3,530.4,529.1647452,5.4,82.9,734,0,1,8,9,36,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"1H-Indole-3-acetic acid, 1-(phenylmethyl)-5-(4-(trifluoromethoxy)phenyl)-alpha-oxo-",393105-53-8,6450819,2-[1-benzyl-5-[4-(trifluoromethoxy)phenyl]indol-3-yl]-2-oxoacetic acid,C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)C4=CC=C(C=C4)OC(F)(F)F)C(=O)C(=O)O,"InChI=1S/C24H16F3NO4/c25-24(26,27)32-18-9-6-16(7-10-18)17-8-11-21-19(12-17)20(22(29)23(30)31)14-28(21)13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,30,31)",ODXQFEWQSHNQNI-UHFFFAOYSA-N,C24H16F3NO4,439.4,439.1031425,5.8,68.5,671,0,1,7,6,32,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridinium, 4-(2-(((6R,7R)-2-carboxy-7-(((2Z)-2-(ethoxyimino)-1-oxo-2-(5-(phosphonoamino)-1,2,4-thiadiazol-3-yl)ethyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)thio)-4-thiazolyl)-1-methyl-, acetate",400827-46-5,56841980,"(6R,7R)-7-[[(2Z)-2-ethoxyimino-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid acetate",CCO/N=C(/C1=NSC(=N1)NP(=O)(O)O)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)SC4=NC(=CS4)C5=CC=[N+](C=C5)C)C(=O)O.CC(=O)[O-],"InChI=1S/C22H21N8O8PS4.C2H4O2/c1-3-38-26-13(16-25-21(43-28-16)27-39(35,36)37)17(31)24-14-18(32)30-15(20(33)34)12(9-40-19(14)30)42-22-23-11(8-41-22)10-4-6-29(2)7-5-10;1-2(3)4/h4-8,14,19H,3,9H2,1-2H3,(H4-,24,25,27,28,31,33,34,35,36,37);1H3,(H,3,4)/b26-13-;/t14-,19-;/m1./s1",UGHHNQFYEVOFIV-VRDMTWHKSA-N,C24H25N8O10PS4,744.7,744.0314107,,368,1240,0,5,19,11,47,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1,0,0
"2-Propenamide, N-hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino)methyl)phenyl)-, (2E)-",404950-80-7,6918837,(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide,CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO,"InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+",FPOHNWQLNRZRFC-ZHACJKMWSA-N,C21H23N3O2,349.4,349.179027,3,77.2,474,0,4,3,7,26,,,0,0,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,0
"Thieno(2,3-c)isoquinolin-5(4H)-one",420849-22-5,9899130,"4H-thieno[2,3-c]isoquinolin-5-one",C1=CC=C2C(=C1)C3=C(NC2=O)SC=C3,"InChI=1S/C11H7NOS/c13-10-8-4-2-1-3-7(8)9-5-6-14-11(9)12-10/h1-6H,(H,12,13)",LQJVOLSLAFIXSV-UHFFFAOYSA-N,C11H7NOS,201.25,201.024835,2.5,57.3,256,0,1,2,0,14,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"6-Oxa-2-azabicyclo(3.2.0)heptane-3,7-dione, 4-(2-chloroethyl)-1-((S)-(1S)-2-cyclohexen-1-ylhydroxymethyl)-5-methyl-, (1R,4R,5S)-",437742-34-2,11347535,"(1R,4R,5S)-4-(2-chloroethyl)-1-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione",C[C@]12[C@H](C(=O)N[C@]1(C(=O)O2)[C@H]([C@H]3CCCC=C3)O)CCCl,"InChI=1S/C15H20ClNO4/c1-14-10(7-8-16)12(19)17-15(14,13(20)21-14)11(18)9-5-3-2-4-6-9/h3,5,9-11,18H,2,4,6-8H2,1H3,(H,17,19)/t9-,10+,11+,14+,15+/m1/s1",NGWSFRIPKNWYAO-SHTIJGAHSA-N,C15H20ClNO4,313.77,313.1080858,1.8,75.6,508,0,2,4,4,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,1,0
"Sulfamide, N-(5-(4-bromophenyl)-6-(2-((5-bromo-2-pyrimidinyl)oxy)ethoxy)-4-pyrimidinyl)-N'-propyl-",441798-33-0,16004692,5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine,CCCNS(=O)(=O)NC1=C(C(=NC=N1)OCCOC2=NC=C(C=N2)Br)C3=CC=C(C=C3)Br,"InChI=1S/C19H20Br2N6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27)",JGCMEBMXRHSZKX-UHFFFAOYSA-N,C19H20Br2N6O4S,588.3,587.9613,3.7,137,642,0,2,10,11,32,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"4-Quinazolinamine, N-(4-bromo-2-fluorophenyl)-6-methoxy-7-((1-methyl-4-piperidinyl)methoxy)-",443913-73-3,3081361,N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine,CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC,"InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)",UHTHHESEBZOYNR-UHFFFAOYSA-N,C22H24BrFN4O2,475.4,474.10667,4.9,59.5,539,0,1,7,6,30,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Benzenesulfonamide, 5-((4-((2,3-dimethyl-2H-indazol-6-yl)methylamino)-2-pyrimidinyl)amino)-2-methyl-",444731-52-6,10113978,"5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide",CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N,"InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)",CUIHSIWYWATEQL-UHFFFAOYSA-N,C21H23N7O2S,437.5,437.1633942,3.1,127,717,0,2,8,5,31,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,1
"4-Thiazolecarboxylic acid, 2-(1H-indol-3-ylcarbonyl)-, methyl ester",448906-42-1,4668801,"methyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate",COC(=O)C1=CSC(=N1)C(=O)C2=CNC3=CC=CC=C32,"InChI=1S/C14H10N2O3S/c1-19-14(18)11-7-20-13(16-11)12(17)9-6-15-10-5-3-2-4-8(9)10/h2-7,15H,1H3",KDDXOGDIPZSCTM-UHFFFAOYSA-N,C14H10N2O3S,286.31,286.0412134,2.9,100,404,0,1,5,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrazole-1-carbothioic acid, 5-amino-2,3-dihydro-2-(1-methylethyl)-4-(2-methylphenyl)-3-oxo-, S-2-propenyl ester",473798-59-3,11493665,S-prop-2-enyl 5-amino-4-(2-methylphenyl)-3-oxo-2-propan-2-ylpyrazole-1-carbothioate,CC1=CC=CC=C1C2=C(N(N(C2=O)C(C)C)C(=O)SCC=C)N,"InChI=1S/C17H21N3O2S/c1-5-10-23-17(22)20-15(18)14(16(21)19(20)11(2)3)13-9-7-6-8-12(13)4/h5-9,11H,1,10,18H2,2-4H3",UTOHZQYBSYOOGC-UHFFFAOYSA-N,C17H21N3O2S,331.4,331.1354481,3.8,91.9,530,0,1,4,5,23,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, 2-(4-((5,6-diphenyl-2-pyrazinyl)(1-methylethyl)amino)butoxy)-N-(methylsulfonyl)-",475086-01-2,9913767,"2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butoxy]-N-methylsulfonylacetamide",CC(C)N(CCCCOCC(=O)NS(=O)(=O)C)C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C26H32N4O4S/c1-20(2)30(16-10-11-17-34-19-24(31)29-35(3,32)33)23-18-27-25(21-12-6-4-7-13-21)26(28-23)22-14-8-5-9-15-22/h4-9,12-15,18,20H,10-11,16-17,19H2,1-3H3,(H,29,31)",QXWZQTURMXZVHJ-UHFFFAOYSA-N,C26H32N4O4S,496.6,496.2144267,3.8,110,730,0,1,7,12,35,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"2-Pyridinecarboxamide, 4-(4-((((4-chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl-, mono(4-methylbenzenesulfonate)",475207-59-1,406563,4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-methylbenzenesulfonic acid,CC1=CC=C(C=C1)S(=O)(=O)O.CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F,"InChI=1S/C21H16ClF3N4O3.C7H8O3S/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25;1-6-2-4-7(5-3-6)11(8,9)10/h2-11H,1H3,(H,26,30)(H2,28,29,31);2-5H,1H3,(H,8,9,10)",IVDHYUQIDRJSTI-UHFFFAOYSA-N,C28H24ClF3N4O6S,637,636.1057179,,155,853,0,4,10,6,43,,,0,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"1-Piperidinepropanenitrile, 4-methyl-3-(methyl-7H-pyrrolo(2,3-d)pyrimidin-4-ylamino)-beta-oxo-, (3R,4R)-",477600-75-2,9926791,"3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile",C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N,"InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1",UJLAWZDWDVHWOW-YPMHNXCESA-N,C16H20N6O,312.37,312.1698593,1.5,88.9,488,0,1,5,3,23,,,0,1,1,1,0,1,0,1,0,0,0,0,0,1,0,0,1,0,1,1
"Ethanediamide, N-(5-chloro-2-pyridinyl)-N'-((1S,2R,4S)-4-((dimethylamino)carbonyl)-2-(((4,5,6,7-tetrahydro-5-methylthiazolo(5,4-c)pyridin-2-yl)carbonyl)amino)cyclohexyl)-",480449-70-5,10280735,"N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide",CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C,"InChI=1S/C24H30ClN7O4S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34)/t13-,15-,17+/m0/s1",HGVDHZBSSITLCT-JLJPHGGASA-N,C24H30ClN7O4S,548.1,547.1768513,1.4,165,880,0,3,8,5,37,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"2-Propenoic acid, 3-(4'-hydroxy-3'-tricyclo(3.3.1.1(3,7))dec-1-yl(1,1'-biphenyl)-4-yl)-, (2E)-",496868-77-0,9864378,(E)-3-[4-[3-(1-adamantyl)-4-hydroxyphenyl]phenyl]prop-2-enoic acid,C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC=C(C=C5)/C=C/C(=O)O)O,"InChI=1S/C25H26O3/c26-23-7-6-21(20-4-1-16(2-5-20)3-8-24(27)28)12-22(23)25-13-17-9-18(14-25)11-19(10-17)15-25/h1-8,12,17-19,26H,9-11,13-15H2,(H,27,28)/b8-3+",QAWBIEIZDDIEMW-FPYGCLRLSA-N,C25H26O3,374.5,374.1881947,6.5,57.5,574,0,2,3,4,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Spiro(6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo(7,8)isoquino(3,2-b)(3)benzazocine-20,1'-(1H)pyrido(3,4-b)indol)-19-one, 5-(acetyloxy)-2',3',4',6,6a,7,9',13,14,16-decahydro-8,14-dihydroxy-6',9-dimethoxy-4,10,23-trimethyl-, (1'R,6R,6aR,7R,13S,14S,16R)-",497871-47-3,57327016,"[(1R,2R,3R,11S,12S,14R,26R)-5,12-dihydroxy-6,6'-dimethoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-22-yl] acetate",CC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]8(CS5)C9=C(CCN8)C2=C(N9)C=CC(=C2)OC)OCO7)C)OC(=O)C)C(=C1OC)O,"InChI=1S/C41H44N4O10S/c1-17-11-20-12-25-39(48)45-26-14-52-40(49)41(38-22(9-10-42-41)23-13-21(50-5)7-8-24(23)43-38)15-56-37(31(45)30(44(25)4)27(20)32(47)33(17)51-6)29-28(26)36-35(53-16-54-36)18(2)34(29)55-19(3)46/h7-8,11,13,25-26,30-31,37,39,42-43,47-48H,9-10,12,14-16H2,1-6H3/t25-,26-,30+,31+,37+,39-,41+/m0/s1",YDDMIZRDDREKEP-HWTBNCOESA-N,C41H44N4O10S,784.9,784.2778148,3.9,190,1530,0,4,14,4,56,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzonitrile, 4-((4-((4-((E)-2-cyanoethenyl)-2,6-dimethylphenyl)amino)-2-pyrimidinyl)amino)-",500287-72-9,6451164,"4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino]pyrimidin-2-yl]amino]benzonitrile",CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)/C=C/C#N,"InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+",YIBOMRUWOWDFLG-ONEGZZNKSA-N,C22H18N6,366.4,366.1592946,4.5,97.4,607,0,2,6,5,28,,,1,1,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamic acid, cyclohexyl-, 3'-(aminocarbonyl)-1,1'-biphenyl-3-yl ester",546141-08-6,1383884,[3-(3-carbamoylphenyl)phenyl] N-cyclohexylcarbamate,C1CCC(CC1)NC(=O)OC2=CC=CC(=C2)C3=CC(=CC=C3)C(=O)N,"InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)",ROFVXGGUISEHAM-UHFFFAOYSA-N,C20H22N2O3,338.4,338.1630426,3.8,81.4,462,0,2,3,5,25,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,7-Diazaspiro(4.5)decan-2-one, 8-(((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-8-phenyl-, (5S,8S)-",552292-08-7,10311306,"(5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one",C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC[C@]2(CC[C@]3(CCC(=O)N3)CN2)C4=CC=CC=C4,"InChI=1S/C25H26F6N2O2/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22/h2-6,11-13,16,32H,7-10,14-15H2,1H3,(H,33,34)/t16-,22-,23-/m1/s1",FIVSJYGQAIEMOC-ZGNKEGEESA-N,C25H26F6N2O2,500.5,500.1898471,4.4,50.4,731,0,2,9,5,35,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Propanoic acid, 2,2-dimethyl-, (E)-2-cyano-2-(4-(1,1-dimethylethyl)phenyl)-1-(1,3,4-trimethyl-1H-pyrazol-5-yl)ethenyl ester",560121-52-0,18772482,"[(E)-2-(4-tert-butylphenyl)-2-cyano-1-(2,4,5-trimethylpyrazol-3-yl)ethenyl] 2,2-dimethylpropanoate",CC1=C(N(N=C1C)C)/C(=C(\C#N)/C2=CC=C(C=C2)C(C)(C)C)/OC(=O)C(C)(C)C,"InChI=1S/C24H31N3O2/c1-15-16(2)26-27(9)20(15)21(29-22(28)24(6,7)8)19(14-25)17-10-12-18(13-11-17)23(3,4)5/h10-13H,1-9H3/b21-19-",APJLTUBHYCOZJI-VZCXRCSSSA-N,C24H31N3O2,393.5,393.2416272,5.4,67.9,681,0,0,4,6,29,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-Naphthalenecarboxamide, 6-((7S)-6,7-dihydro-7-hydroxy-5H-pyrrolo(1,2-c)imidazol-7-yl)-N-methyl-",566939-85-3,9796590,"6-[(7S)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide",CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)[C@]3(CCN4C3=CN=C4)O,"InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1",OZPFIJIOIVJZMN-SFHVURJKSA-N,C18H17N3O2,307.3,307.1320768,1.3,67.2,471,0,2,3,2,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"1H-Pyrrole-2,5-dione, 3-(9-fluoro-1,2,3,4-tetrahydro-2-(1-piperidinylcarbonyl)(1,4)diazepino(6,7,1-hi)indol-7-yl)-4-imidazo(1,2-a)pyridin-3-yl-",603288-22-8,10029385,"3-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione",C1CCN(CC1)C(=O)N2CCN3C=C(C4=CC(=CC(=C43)C2)F)C5=C(C(=O)NC5=O)C6=CN=C7N6C=CC=C7,"InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)",HRJWTAWVFDCTGO-UHFFFAOYSA-N,C28H25FN6O3,512.5,512.1972168,2.5,92,1030,0,1,5,2,38,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Benzimidazole-6-carboxamide, 5-((4-bromo-2-chlorophenyl)amino)-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-",606143-52-6,10127622,6-(4-bromo-2-chloroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide,CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO,"InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)",CYOHGALHFOKKQC-UHFFFAOYSA-N,C17H15BrClFN4O3,457.7,456.00001,3.6,88.4,523,0,3,6,6,27,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,1,1,0
"2,4-Thiazolidinedione, 5-((2,2-difluoro-1,3-benzodioxol-5-yl)methylene)-, (5Z)-",648449-76-7,5287855,"(5Z)-5-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidine-2,4-dione",C1=CC2=C(C=C1/C=C\3/C(=O)NC(=O)S3)OC(O2)(F)F,"InChI=1S/C11H5F2NO4S/c12-11(13)17-6-2-1-5(3-7(6)18-11)4-8-9(15)14-10(16)19-8/h1-4H,(H,14,15,16)/b8-4-",SRLVNYDXMUGOFI-YWEYNIOJSA-N,C11H5F2NO4S,285.23,284.9907351,2.8,89.9,468,0,1,7,1,19,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-Propenamide, N-(4-(1-benzoyl-4-piperidinyl)butyl)-3-(3-pyridinyl)-, (2E)-",658084-64-1,6914657,(E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridin-3-ylprop-2-enamide,C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3,"InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+",KPBNHDGDUADAGP-VAWYXSNFSA-N,C24H29N3O2,391.5,391.2259772,3.7,62.3,534,0,1,3,8,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Indole-2,3-dione, 5-chloro-1-((2,5-dichlorophenyl)methyl)-, 3-(O-acetyloxime), (3E)-",668467-91-2,16760696,"[(Z)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate",CC(=O)O/N=C\1/C2=C(C=CC(=C2)Cl)N(C1=O)CC3=C(C=CC(=C3)Cl)Cl,"InChI=1S/C17H11Cl3N2O3/c1-9(23)25-21-16-13-7-12(19)3-5-15(13)22(17(16)24)8-10-6-11(18)2-4-14(10)20/h2-7H,8H2,1H3/b21-16-",OPQRFPHLZZPCCH-PGMHBOJBSA-N,C17H11Cl3N2O3,397.6,395.983525,4.6,59,571,0,0,4,4,25,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Magnesium, bis(5-methoxy-2-((R)-((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl-kappa-O)-1H-benzimidazolato-kappa-N(sup 1))-, (T-4)-, hydrate",668985-31-7,91886157,"magnesium;bis(5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-ide);hydrate",CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.O.[Mg+2],"InChI=1S/2C17H18N3O3S.Mg.H2O/c2*1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;;/h2*5-8H,9H2,1-4H3;;1H2/q2*-1;+2;",LGRFYKXKCZKDLS-UHFFFAOYSA-N,C34H38MgN6O7S2,731.1,730.2093816,,164,993,0,1,15,10,50,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrazolium, 5-amino-4-((((2-aminoethyl)amino)carbonyl)amino)-2-(((6R,7R)-7-(((2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-((1-carboxy-1-methylethoxy)imino)-1-oxoethyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-1-methyl-, inner salt",689293-68-3,53234134,"(6R,7R)-3-[[5-amino-4-(2-aminoethylcarbamoylamino)-1-methylpyrazol-2-ium-2-yl]methyl]-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",CC(C)(C(=O)O)O/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC(=C(N4C)N)NC(=O)NCCN)C(=O)[O-],"InChI=1S/C23H30N12O8S2/c1-23(2,20(40)41)43-31-11(15-30-21(26)45-32-15)16(36)29-12-17(37)35-13(19(38)39)9(8-44-18(12)35)6-34-7-10(14(25)33(34)3)28-22(42)27-5-4-24/h7,12,18,25H,4-6,8,24H2,1-3H3,(H7,26,27,28,29,30,32,36,38,39,40,41,42)/b31-11-/t12-,18-/m1/s1",JHFNIHVVXRKLEF-DCZLAGFPSA-N,C23H30N12O8S2,666.7,666.1750983,-3.2,356,1280,0,7,16,11,45,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,1,0
"Propanamide, N-((1S,2S)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl)-2-methyl-2-((5-(trifluoromethyl)-2-pyridinyl)oxy)-",701977-09-5,11226090,"N-[(2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide",C[C@@H]([C@@H](CC1=CC=C(C=C1)Cl)C2=CC=CC(=C2)C#N)NC(=O)C(C)(C)OC3=NC=C(C=C3)C(F)(F)F,"InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1",QLYKJCMUNUWAGO-GAJHUEQPSA-N,C27H25ClF3N3O2,516,515.1587392,6.5,75,776,0,1,7,8,36,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"Urea, N-((4-fluorophenyl)methyl)-N-(1-methyl-4-piperidinyl)-N'-((4-(2-methylpropoxy)phenyl)methyl)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1)",706782-28-7,11672491,"(2R,3R)-2,3-dihydroxybutanedioic acid;bis(1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea)",CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CCN(CC3)C.CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CCN(CC3)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/2C25H34FN3O2.C4H6O6/c2*1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21;5-1(3(7)8)2(6)4(9)10/h2*4-11,19,23H,12-18H2,1-3H3,(H,27,30);1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1",RGSULKHNAKTFIZ-CEAXSRTFSA-N,C54H74F2N6O10,1005.2,1004.543449,,205,657,0,6,14,19,72,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Benzamide, 4-(((7R)-8-cyclopentyl-7-ethyl-5,6,7,8-tetrahydro-5-methyl-6-oxo-2-pteridinyl)amino)-3-methoxy-N-(1-methyl-4-piperidinyl)-",755038-02-9,11364421,4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide,CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C,"InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1",XQVVPGYIWAGRNI-JOCHJYFZSA-N,C28H39N7O3,521.7,521.3114381,3.7,103,816,0,2,8,7,38,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Urea, 1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(2-fluoro-5-methylphenyl)-",796967-16-3,11485656,1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea,CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N,"InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)",MPVGZUGXCQEXTM-UHFFFAOYSA-N,C21H18FN5O,375.4,375.1495384,3.9,95.8,541,0,4,4,3,28,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"2-Pyridinecarboxamide, N-((1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-",827591-02-6,11416123,"N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-2-carboxamide",C1C[C@H](C2=C(C1)C3=C(N2)C=CC(=C3)Cl)NC(=O)C4=CC=CC=N4,"InChI=1S/C18H16ClN3O/c19-11-7-8-14-13(10-11)12-4-3-6-15(17(12)21-14)22-18(23)16-5-1-2-9-20-16/h1-2,5,7-10,15,21H,3-4,6H2,(H,22,23)/t15-/m1/s1",WJQBOBGVBBZLJU-OAHLLOKOSA-N,C18H16ClN3O,325.8,325.0981898,3.5,57.8,446,0,2,2,2,23,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"7H-Pyrazolo(4,3-d)pyrimidin-7-one, 5-(2-ethoxy-5-(2-(4-ethyl-1-piperazinyl)acetyl)phenyl)-1,6-dihydro-1-methyl-3-propyl-",831217-01-7,135566112,"5-[2-ethoxy-5-[2-(4-ethylpiperazin-1-yl)acetyl]phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one",CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)C(=O)CN4CCN(CC4)CC)OCC)C,"InChI=1S/C25H34N6O3/c1-5-8-19-22-23(29(4)28-19)25(33)27-24(26-22)18-15-17(9-10-21(18)34-7-3)20(32)16-31-13-11-30(6-2)12-14-31/h9-10,15H,5-8,11-14,16H2,1-4H3,(H,26,27,33)",RRBRQNALHKQCAI-UHFFFAOYSA-N,C25H34N6O3,466.6,466.269239,2.5,92.1,753,0,1,7,9,34,,,0,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
"D-Glucitol, 1,5-anhydro-1-C-(3-((5-(4-fluorophenyl)-2-thienyl)methyl)-4-methylphenyl)-, (1S)-",842133-18-0,24812758,"(2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol",CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F,"InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1",XTNGUQKDFGDXSJ-ZXGKGEBGSA-N,C24H25FO5S,444.5,444.1406732,3.2,118,574,0,4,7,5,31,,‎642.9±55.0,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
"3-Quinolineethanol, 6-bromo-alpha-(2-(dimethylamino)ethyl)-2-methoxy-alpha-1-naphthalenyl-beta-phenyl-, (alpha-S,beta-R)-",843663-66-1,5388906,"(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol",CN(C)CC[C@@](C1=CC=CC2=CC=CC=C21)([C@H](C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O,"InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1",QUIJNHUBAXPXFS-XLJNKUFUSA-N,C32H31BrN2O2,555.5,554.15689,7.2,45.6,715,0,1,4,8,37,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"1,1-Cyclopropanedicarboxamide, N-(3-fluoro-4-((6-methoxy-7-(3-(4-morpholinyl)propoxy)-4-quinolinyl)oxy)phenyl)-N'-(4-fluorophenyl)-",849217-64-7,42642645,"1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide",COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F,"InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)",CXQHYVUVSFXTMY-UHFFFAOYSA-N,C34H34F2N4O6,632.7,632.2446411,5.5,111,1010,0,2,10,12,46,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"2,4-Pyrimidinediamine, 5-((3-methoxy-4-((4-methoxyphenyl)methoxy)phenyl)methyl)-",870483-87-7,11617559,"5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine",COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC,"InChI=1S/C20H22N4O3/c1-25-16-6-3-13(4-7-16)12-27-17-8-5-14(10-18(17)26-2)9-15-11-23-20(22)24-19(15)21/h3-8,10-11H,9,12H2,1-2H3,(H4,21,22,23,24)",MYQAUKPBNJWPIE-UHFFFAOYSA-N,C20H22N4O3,366.4,366.1691906,2.6,106,433,0,2,7,7,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, N-(3-(3-cyclopropyl-5-((2-fluoro-4-iodophenyl)amino)-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido(4,3-d)pyrimidin-1(2H)-yl)phenyl)-",871700-17-3,11707110,"N-[3-[3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide",CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5,"InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)",LIRYPHYGHXZJBZ-UHFFFAOYSA-N,C26H23FIN5O4,615.4,615.07788,3.4,102,1090,0,2,6,5,37,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,1,0
"1H-Tetrazole-1-carboxamide, 5-((1,1'-biphenyl)-4-ylmethyl)-N,N-dimethyl-",874902-19-9,11507802,"N,N-dimethyl-5-[(4-phenylphenyl)methyl]tetrazole-1-carboxamide",CN(C)C(=O)N1C(=NN=N1)CC2=CC=C(C=C2)C3=CC=CC=C3,"InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3",GZNIYOXWFCDBBJ-UHFFFAOYSA-N,C17H17N5O,307.35,307.1433102,3,63.9,388,0,0,4,3,23,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrazole-4-carboxamide, N-(2-(1,1'-bicyclopropyl)-2-ylphenyl)-3-(difluoromethyl)-1-methyl-",874967-67-6,11688533,N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide,CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2C3CC3C4CC4,"InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)",XQJQCBDIXRIYRP-UHFFFAOYSA-N,C18H19F2N3O,331.4,331.1496186,3.5,46.9,485,0,1,4,5,24,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Pyridinamine, 3-((1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(4-piperidinyl)-1H-pyrazol-4-yl)-",877399-52-5,11626560,"3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine",C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N,"InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1",KTEIFNKAUNYNJU-GFCCVEGCSA-N,C21H22Cl2FN5O,450.3,449.1185439,3.7,78,557,0,2,6,5,30,,,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0
"Ethanone, 1-((3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta(c)quinolin-8-yl)-",881639-98-1,5322399,"1-[(3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone",CC(=O)C1=CC2=C(C=C1)N[C@H]([C@@H]3[C@H]2C=CC3)C4=CC5=C(C=C4Br)OCO5,"InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1",VHSVKVWHYFBIFJ-HKZYLEAXSA-N,C21H18BrNO3,412.3,411.04701,4.6,47.6,596,0,1,4,2,26,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanone, 1-(5-((2,3-dichlorophenyl)thio)-4-nitro-2-thienyl)-",882257-11-6,2819993,"1-[5-(2,3-dichlorophenyl)sulfanyl-4-nitrothiophen-2-yl]ethanone",CC(=O)C1=CC(=C(S1)SC2=C(C(=CC=C2)Cl)Cl)[N+](=O)[O-],"InChI=1S/C12H7Cl2NO3S2/c1-6(16)10-5-8(15(17)18)12(20-10)19-9-4-2-3-7(13)11(9)14/h2-5H,1H3",LKZLGMAAKNEGCH-UHFFFAOYSA-N,C12H7Cl2NO3S2,348.2,346.9244408,5.1,116,393,0,0,5,3,20,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Methanone, (1-(2-(4-morpholinyl)ethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)-",895155-26-7,11584525,"[1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone",CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CCN4CCOCC4)C,"InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-15-24(18-8-6-5-7-16(17)18)10-9-23-11-13-26-14-12-23/h5-8,15,20H,9-14H2,1-4H3",ZCFHOMLAFTWDFM-UHFFFAOYSA-N,C22H30N2O2,354.5,354.2307282,3.4,34.5,524,0,0,3,5,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-Pyrido(3,2-b)-1,4-oxazin-3(4H)-one, 6-((5-fluoro-2-((3,4,5-trimethoxyphenyl)amino)-4-pyrimidinyl)amino)-2,2-dimethyl-4-((phosphonooxy)methyl)-",901119-35-5,11671467,"[6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate",CC1(C(=O)N(C2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)COP(=O)(O)O)C,"InChI=1S/C23H26FN6O9P/c1-23(2)21(31)30(11-38-40(32,33)34)20-14(39-23)6-7-17(28-20)27-19-13(24)10-25-22(29-19)26-12-8-15(35-3)18(37-5)16(9-12)36-4/h6-10H,11H2,1-5H3,(H2,32,33,34)(H2,25,26,27,28,29)",GKDRMWXFWHEQQT-UHFFFAOYSA-N,C23H26FN6O9P,580.5,580.1482916,1.6,187,904,0,4,15,10,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Benzimidazole-4-carboxamide, 2-((2R)-2-methyl-2-pyrrolidinyl)-",912444-00-9,11960529,2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide,C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N,"InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1",JNAHVYVRKWKWKQ-CYBMUJFWSA-N,C13H16N4O,244.29,244.1324112,0.5,83.8,348,0,3,3,2,18,,,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"6H-Dibenzo(b,d)pyran-6-one, 8-(1-hydroxyethyl)-2-methoxy-3-((4-methoxyphenyl)methoxy)-",914913-88-5,11998575,8-(1-hydroxyethyl)-2-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one,CC(C1=CC2=C(C=C1)C3=CC(=C(C=C3OC2=O)OCC4=CC=C(C=C4)OC)OC)O,"InChI=1S/C24H22O6/c1-14(25)16-6-9-18-19-11-22(28-3)23(12-21(19)30-24(26)20(18)10-16)29-13-15-4-7-17(27-2)8-5-15/h4-12,14,25H,13H2,1-3H3",YEAHTLOYHVWAKW-UHFFFAOYSA-N,C24H22O6,406.4,406.1416384,4,74.2,574,0,1,6,6,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, 4-(3-(4-cyano-3-(trifluoromethyl)phenyl)-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl)-2-fluoro-N-methyl-",915087-33-1,15951529,"4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-methylbenzamide",CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C,"InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)",WXCXUHSOUPDCQV-UHFFFAOYSA-N,C21H16F4N4O2S,464.4,464.0930096,3.6,109,839,0,1,8,3,32,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"3-Pyridinemethanamine, N-(triphenylmethyl)-",918311-87-2,24868317,"1,1,1-triphenyl-N-(pyridin-3-ylmethyl)methanamine",C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NCC4=CN=CC=C4,"InChI=1S/C25H22N2/c1-4-12-22(13-5-1)25(23-14-6-2-7-15-23,24-16-8-3-9-17-24)27-20-21-11-10-18-26-19-21/h1-19,27H,20H2",PQFNWDHABGBCHB-UHFFFAOYSA-N,C25H22N2,350.5,350.1782987,5.1,24.9,370,0,1,2,6,27,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Propanesulfonamide, N-(3-((5-(4-chlorophenyl)-1H-pyrrolo(2,3-b)pyridin-3-yl)carbonyl)-2,4-difluorophenyl)-",918504-65-1,42611257,"N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide",CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F,"InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)",GPXBXXGIAQBQNI-UHFFFAOYSA-N,C23H18ClF2N3O3S,489.9,489.0725466,5,100,790,0,2,7,7,33,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopropanesulfonamide, N-(3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)-6-methoxyphenyl)-1-((2S)-2,3-dihydroxypropyl)-",923032-37-5,44182295,"N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide",COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F,"InChI=1S/C19H20F3IN2O5S/c1-30-15-7-13(21)16(22)18(24-14-3-2-10(23)6-12(14)20)17(15)25-31(28,29)19(4-5-19)8-11(27)9-26/h2-3,6-7,11,24-27H,4-5,8-9H2,1H3/t11-/m0/s1",RDSACQWTXKSHJT-NSHDSACASA-N,C19H20F3IN2O5S,572.3,572.00897,2.8,116,711,0,4,10,9,31,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"3-Butyn-2-ol, 4-(2-(4-amino-3-furazanyl)-1-ethyl-7-((3S)-3-piperidinylmethoxy)-1H-imidazo(4,5-c)pyridin-4-yl)-2-methyl-",937174-76-0,16725726,"4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[[(3S)-piperidin-3-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol",CCN1C2=C(C(=NC=C2OC[C@H]3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N,"InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1",KGPGFQWBCSZGEL-ZDUSSCGKSA-N,C21H27N7O3,425.5,425.2175378,0.3,137,680,0,3,9,7,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrazole-1-propanenitrile, beta-cyclopentyl-4-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-, (beta-R)-",941678-49-5,25126798,"(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile",C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3,"InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1",HFNKQEVNSGCOJV-OAHLLOKOSA-N,C17H18N6,306.4,306.1592946,2.1,83.2,453,0,1,4,4,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"Benzamide, 3-(2-imidazo(1,2-b)pyridazin-3-ylethynyl)-4-methyl-N-(4-((4-methyl-1-piperazinyl)methyl)-3-(trifluoromethyl)phenyl)-",943319-70-8,24826799,"3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide",CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5,"InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)",PHXJVRSECIGDHY-UHFFFAOYSA-N,C29H27F3N6O,532.6,532.219844,4.1,65.8,910,0,1,8,6,39,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
Flupyradifurone,951659-40-8,16752772,"3-[(6-chloro-3-pyridinyl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one",C1C(=CC(=O)O1)N(CC2=CN=C(C=C2)Cl)CC(F)F,"InChI=1S/C12H11ClF2N2O2/c13-10-2-1-8(4-16-10)5-17(6-11(14)15)9-3-12(18)19-7-9/h1-4,11H,5-7H2",QOIYTRGFOFZNKF-UHFFFAOYSA-N,C12H11ClF2N2O2,288.68,288.0477116,2.3,42.4,366,0,0,6,5,19,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Cyclopentanecarboxylic acid, 2-((4'-(((phenylamino)carbonyl)amino)(1,1'-biphenyl)-4-yl)carbonyl)-, (1R,2R)-",959122-11-3,24768261,"trans-(1R,2R)-2-[4-[4-(phenylcarbamoylamino)phenyl]benzoyl]cyclopentane-1-carboxylic acid",C1C[C@H]([C@@H](C1)C(=O)O)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4,"InChI=1S/C26H24N2O4/c29-24(22-7-4-8-23(22)25(30)31)19-11-9-17(10-12-19)18-13-15-21(16-14-18)28-26(32)27-20-5-2-1-3-6-20/h1-3,5-6,9-16,22-23H,4,7-8H2,(H,30,31)(H2,27,28,32)/t22-,23-/m1/s1",BOZRFEQDOFSZBV-DHIUTWEWSA-N,C26H24N2O4,428.5,428.1736073,4.3,95.5,659,0,3,4,6,32,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"6-Methylchroman-4-one, (E)-3-(3-hydroxy-4-methoxybenzylidene)-",1031206-36-6,24987039,(3E)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methylchromen-4-one,CC1=CC2=C(C=C1)OC/C(=C\C3=CC(=C(C=C3)OC)O)/C2=O,"InChI=1S/C18H16O4/c1-11-3-5-16-14(7-11)18(20)13(10-22-16)8-12-4-6-17(21-2)15(19)9-12/h3-9,19H,10H2,1-2H3/b13-8+",BZCADTHMZLYKAR-MDWZMJQESA-N,C18H16O4,296.3,296.104859,3.3,55.8,444,0,1,4,2,22,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,4-Triazolo(3,4-f)(1,6)naphthyridin-3(2H)-one, 8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-",1032349-93-1,24964624,"8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-2H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-one",C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N,"InChI=1S/C25H21N5O/c26-25(12-4-13-25)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-21(27-22)11-14-30-23(20)28-29-24(30)31/h1-3,5-11,14-15H,4,12-13,26H2,(H,29,31)",ULDXWLCXEDXJGE-UHFFFAOYSA-N,C25H21N5O,407.5,407.1746103,3,83.6,760,0,2,4,3,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0
"2,4-Pyrimidinediamine, 5-chloro-N(sup 4)-(2-((1-methylethyl)sulfonyl)phenyl)-N(sup 2)-(5-methyl-2-(1-methylethoxy)-4-(4-piperidinyl)phenyl)-",1032900-25-6,57379345,"5-chloro-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine",CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl,"InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)",VERWOWGGCGHDQE-UHFFFAOYSA-N,C28H36ClN5O3S,558.1,557.2227389,6.4,114,835,0,3,8,9,38,,,1,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Benzenesulfonamide, 2,4-difluoro-N-(2-methoxy-5-(4-(4-pyridazinyl)-6-quinolinyl)-3-pyridinyl)-",1086062-66-9,25167777,"2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide",COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F,"InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3",CGBJSGAELGCMKE-UHFFFAOYSA-N,C25H17F2N5O3S,505.5,505.1020169,3.3,115,833,0,1,10,6,36,,,0,0,0,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"9H-Purine-2,6-diamine, N(sup 2)-((1R,2S)-2-aminocyclohexyl)-N(sup 6)-(3-chlorophenyl)-9-ethyl-, hydrochloride (1:1)",1173021-98-1,71311862,"N'-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carbohydrazide;hydrobromide",C1=CC(=CC=C1C2=CSC(=N2)NNC(=O)C3=CC4=C(C=C3)N=CN4)[N+](=O)[O-].Br,"InChI=1S/C17H12N6O3S.BrH/c24-16(11-3-6-13-14(7-11)19-9-18-13)21-22-17-20-15(8-27-17)10-1-4-12(5-2-10)23(25)26;/h1-9H,(H,18,19)(H,20,22)(H,21,24);1H",HVNYYJJWBWMGCO-UHFFFAOYSA-N,C17H13BrN6O3S,461.3,459.99532,,157,553,0,4,7,4,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-Azetidineacetonitrile, 1-(ethylsulfonyl)-3-(4-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-1H-pyrazol-1-yl)-",1187594-09-7,44205240,"2-[1-ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile",CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3,"InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)",XUZMWHLSFXCVMG-UHFFFAOYSA-N,C16H17N7O2S,371.4,371.116444,-0.5,129,678,0,1,7,5,26,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,1
"1-Piperidinecarboxamide, N-3-pyridinyl-4-((3-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenyl)methyl)-",1196109-52-0,25154867,N-pyridin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]piperidine-1-carboxamide,C1CN(CCC1CC2=CC(=CC=C2)OC3=NC=C(C=C3)C(F)(F)F)C(=O)NC4=CN=CC=C4,"InChI=1S/C24H23F3N4O2/c25-24(26,27)19-6-7-22(29-15-19)33-21-5-1-3-18(14-21)13-17-8-11-31(12-9-17)23(32)30-20-4-2-10-28-16-20/h1-7,10,14-17H,8-9,11-13H2,(H,30,32)",NBOJHRYUGLRASX-UHFFFAOYSA-N,C24H23F3N4O2,456.5,456.1773105,4.4,67.4,627,0,1,7,5,33,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Quinoline, 4-(6-(4-(1-methylethoxy)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)-",1206711-16-1,50997747,"4-[6-(4-propan-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline",CC(C)OC1=CC=C(C=C1)C2=CN3C(=C(C=N3)C4=CC=NC5=CC=CC=C45)N=C2,"InChI=1S/C24H20N4O/c1-16(2)29-19-9-7-17(8-10-19)18-13-26-24-22(14-27-28(24)15-18)20-11-12-25-23-6-4-3-5-21(20)23/h3-16H,1-2H3",JMIFGARJSWXZSH-UHFFFAOYSA-N,C24H20N4O,380.4,380.1637113,4.6,52.3,535,0,0,4,4,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, 3-(benzoylmethylamino)-N-(2-bromo-4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)-6-(trifluoromethyl)phenyl)-2-fluoro-",1207727-04-5,53341374,"3-[benzoyl(methyl)amino]-N-[2-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)phenyl]-2-fluorobenzamide",CN(C1=CC=CC(=C1F)C(=O)NC2=C(C=C(C=C2Br)C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F)C(=O)C3=CC=CC=C3,"InChI=1S/C25H14BrF11N2O2/c1-39(21(41)12-6-3-2-4-7-12)17-9-5-8-14(18(17)27)20(40)38-19-15(23(29,30)31)10-13(11-16(19)26)22(28,24(32,33)34)25(35,36)37/h2-11H,1H3,(H,38,40)",QSLZKWPYTWEWHC-UHFFFAOYSA-N,C25H14BrF11N2O2,663.3,662.0063,7.7,49.4,922,0,1,13,5,41,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Pyrazinecarboxamide, 6-ethyl-3-((3-methoxy-4-(4-(4-methyl-1-piperazinyl)-1-piperidinyl)phenyl)amino)-5-((tetrahydro-2H-pyran-4-yl)amino)-",1254053-43-4,49803313,6-ethyl-3-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide,CCC1=C(N=C(C(=N1)C(=O)N)NC2=CC(=C(C=C2)N3CCC(CC3)N4CCN(CC4)C)OC)NC5CCOCC5,"InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)",GYQYAJJFPNQOOW-UHFFFAOYSA-N,C29H44N8O3,552.7,552.3536373,3.5,121,785,0,3,10,9,40,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"5H-Benzo(b)carbazole-3-carbonitrile, 9-ethyl-6,11-dihydro-6,6-dimethyl-8-(4-(4-morpholinyl)-1-piperidinyl)-11-oxo-",1256580-46-7,49806720,"9-ethyl-6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile",CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C,"InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3",KDGFLJKFZUIJMX-UHFFFAOYSA-N,C30H34N4O2,482.6,482.2681763,5.2,72.4,867,0,1,5,3,36,,,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"4-Quinazolinamine, 6-fluoro-N-((4-fluorophenyl)methyl)-",1262888-28-7,51037431,6-fluoro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine,C1=CC(=CC=C1CNC2=NC=NC3=C2C=C(C=C3)F)F,"InChI=1S/C15H11F2N3/c16-11-3-1-10(2-4-11)8-18-15-13-7-12(17)5-6-14(13)19-9-20-15/h1-7,9H,8H2,(H,18,19,20)",AWIVHRPYFSSVOG-UHFFFAOYSA-N,C15H11F2N3,271.26,271.0921037,3.6,37.8,307,0,1,5,3,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2H-Imidazo(4,5-c)quinolin-2-one, 7-(3,5-dimethyl-4-isoxazolyl)-1,3-dihydro-8-methoxy-1-((1R)-1-(2-pyridinyl)ethyl)-",1300031-49-5,52912189,"7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one",CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)N=CC4=C3N(C(=O)N4)[C@H](C)C5=CC=CC=N5)OC,"InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1",VUVUVNZRUGEAHB-CYBMUJFWSA-N,C23H21N5O3,415.4,415.1644396,2.7,93.4,665,0,1,6,4,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Imidazole-1-acetamide, N-(2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl)-N-(3-fluorophenyl)-2-methyl-",1355326-35-0,56645356,N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide,CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C,"InChI=1S/C27H31FN4O2/c1-19-9-6-7-14-24(19)26(27(34)30-22-11-4-3-5-12-22)32(23-13-8-10-21(28)17-23)25(33)18-31-16-15-29-20(31)2/h6-10,13-17,22,26H,3-5,11-12,18H2,1-2H3,(H,30,34)",FNYGWXSATBUBER-UHFFFAOYSA-N,C27H31FN4O2,462.6,462.2431044,4.9,67.2,686,0,1,4,7,34,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
AMG 548,,11167112,2-[[(2S)-2-amino-3-phenylpropyl]amino]-3-methyl-5-naphthalen-2-yl-6-pyridin-4-ylpyrimidin-4-one,CN1C(=O)C(=C(N=C1NC[C@H](CC2=CC=CC=C2)N)C3=CC=NC=C3)C4=CC5=CC=CC=C5C=C4,"InChI=1S/C29H27N5O/c1-34-28(35)26(24-12-11-21-9-5-6-10-23(21)18-24)27(22-13-15-31-16-14-22)33-29(34)32-19-25(30)17-20-7-3-2-4-8-20/h2-16,18,25H,17,19,30H2,1H3,(H,32,33)/t25-/m0/s1",RQVKVJIRFKVPBF-VWLOTQADSA-N,C29H27N5O,461.6,461.2215605,3.8,83.6,795,0,2,4,7,35,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Aminoisoindolin-1-one, 2-(1-(adamantan-1-yl)ethyl)-",,9855513,"4-amino-2,3-dihydroisoindol-1-one",C1C2=C(C=CC=C2N)C(=O)N1,"InChI=1S/C8H8N2O/c9-7-3-1-2-5-6(7)4-10-8(5)11/h1-3H,4,9H2,(H,10,11)",GZRGLZWHIFBBLS-UHFFFAOYSA-N,C8H8N2O,148.16,148.0636629,0.1,55.1,181,0,2,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"6a-beta-Aporphine-10,11-diol, hydrochloride, hemihydrate",,107882,"bis((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol);hydrate;dihydrochloride",CN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C(=C(C=C4)O)O.CN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C(=C(C=C4)O)O.O.Cl.Cl,"InChI=1S/2C17H17NO2.2ClH.H2O/c2*1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;;;/h2*2-6,13,19-20H,7-9H2,1H3;2*1H;1H2/t2*13-;;;/m11.../s1",CXWQXGNFZLHLHQ-DPFCLETOSA-N,C34H38Cl2N2O5,625.6,624.2157777,,88.4,374,0,7,7,0,43,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Azabicyclo(2.2.1)heptane, 3-((3-(hexylthio)-2-pyrazinyl)oxy)-, hydrochloride, (3R,4R)-",,13631121,1-azabicyclo[2.2.1]heptane,C1CN2CCC1C2,"InChI=1S/C6H11N/c1-3-7-4-2-6(1)5-7/h6H,1-5H2",JVCBVWTTXCNJBJ-UHFFFAOYSA-N,C6H11N,97.16,97.08914936,0.8,3.2,72,0,0,1,0,7,,,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,1,0
"2-Azetidinone, 3-(bromomethyl)-1-(3,4-dimethoxy-5-(methylseleno)phenyl)-4-(3-hydroxy-4-methoxyphenyl)-, (3S,4R)-",,136721,azetidin-2-one,C1CNC1=O,"InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)",MNFORVFSTILPAW-UHFFFAOYSA-N,C3H5NO,71.08,71.03711378,-0.8,29.1,59,0,1,1,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-Azocinethione, octahydro-, (Z)-",,11971671,azocane-2-thione,C1CCCNC(=S)CC1,"InChI=1S/C7H13NS/c9-7-5-3-1-2-4-6-8-7/h1-6H2,(H,8,9)",ZLUNIUCVHBOLSC-UHFFFAOYSA-N,C7H13NS,143.25,143.0768706,1,44.1,101,0,1,1,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Azoninethione, octahydro-, (Z)-",,11971672,azonane-2-thione,C1CCCC(=S)NCCC1,"InChI=1S/C8H15NS/c10-8-6-4-2-1-3-5-7-9-8/h1-7H2,(H,9,10)",RSZRTFBUXPOVAO-UHFFFAOYSA-N,C8H15NS,157.28,157.0925207,1.4,44.1,112,0,1,1,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, (3-endo)-8-azabicyclo(3.2.1)oct-3-yl ester",,29949502,"[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2,2-diphenylacetate",C1C[C@H]2CC(C[C@@H]1N2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O,"InChI=1S/C21H23NO3/c23-20(25-19-13-17-11-12-18(14-19)22-17)21(24,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19,22,24H,11-14H2/t17-,18+,19?",HIIVXBCWDPCZJA-DFNIBXOVSA-N,C21H23NO3,337.4,337.1677936,3.4,58.6,438,0,2,4,5,25,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 4-((((2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-2-pyrrolidinyl)carbonyl)amino)-3-methoxy-",,53358942,"4-[[(2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carbonyl]amino]-3-methoxybenzoic acid",CC(C)(C)C[C@H]1[C@]([C@H]([C@@H](N1)C(=O)NC2=C(C=C(C=C2)C(=O)O)OC)C3=C(C(=CC=C3)Cl)F)(C#N)C4=C(C=C(C=C4)Cl)F,"InChI=1S/C31H29Cl2F2N3O4/c1-30(2,3)14-24-31(15-36,19-10-9-17(32)13-21(19)34)25(18-6-5-7-20(33)26(18)35)27(38-24)28(39)37-22-11-8-16(29(40)41)12-23(22)42-4/h5-13,24-25,27,38H,14H2,1-4H3,(H,37,39)(H,40,41)/t24-,25-,27+,31-/m0/s1",TVTXCJFHQKSQQM-LJQIRTBHSA-N,C31H29Cl2F2N3O4,616.5,615.1503181,4.3,111,1040,0,3,8,8,42,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Bicyclo(4.1.0)heptan-3-one, 4,7,7-trimethyl-, O-(2-hydroxy-3-((1-methylethyl)amino)propyl)oxime, hydrochloride, (1R,4R,6S)-",,12695916,bicyclo[4.1.0]heptan-3-one,C1CC(=O)CC2C1C2,"InChI=1S/C7H10O/c8-7-2-1-5-3-6(5)4-7/h5-6H,1-4H2",FNSLUWUWXKOLFF-UHFFFAOYSA-N,C7H10O,110.15,110.0731649,0.9,17.1,128,0,0,1,0,8,,,0,0,0,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"o-Butyrotoluidide, 6'-chloro-3-pyrrolidinyl-, hydrochloride",,24213195,N-(2-chloro-6-methylphenyl)-3-pyrrolidin-1-ylbutanamide;hydrochloride,CC1=C(C(=CC=C1)Cl)NC(=O)CC(C)N2CCCC2.Cl,"InChI=1S/C15H21ClN2O.ClH/c1-11-6-5-7-13(16)15(11)17-14(19)10-12(2)18-8-3-4-9-18;/h5-7,12H,3-4,8-10H2,1-2H3,(H,17,19);1H",UEPAZWZNALYRHO-UHFFFAOYSA-N,C15H22Cl2N2O,317.3,316.1109187,,32.3,305,0,2,2,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Chimassorb 119,,163763,"6-N-[3-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine",CCCCN(C1CC(N(C(C1)(C)C)C)(C)C)C2=NC(=NC(=N2)NCCCN(CCN(CCCNC3=NC(=NC(=N3)N(CCCC)C4CC(N(C(C4)(C)C)C)(C)C)N(CCCC)C5CC(N(C(C5)(C)C)C)(C)C)C6=NC(=NC(=N6)N(CCCC)C7CC(N(C(C7)(C)C)C)(C)C)N(CCCC)C8CC(N(C(C8)(C)C)C)(C)C)C9=NC(=NC(=N9)N(CCCC)C1CC(N(C(C1)(C)C)C)(C)C)N(CCCC)C1CC(N(C(C1)(C)C)C)(C)C)N(CCCC)C1CC(N(C(C1)(C)C)C)(C)C,"InChI=1S/C132H250N32/c1-49-57-71-157(97-81-117(9,10)147(41)118(11,12)82-97)109-135-105(136-110(143-109)158(72-58-50-2)98-83-119(13,14)148(42)120(15,16)84-98)133-67-65-69-155(107-139-113(161(75-61-53-5)101-89-125(25,26)151(45)126(27,28)90-101)145-114(140-107)162(76-62-54-6)102-91-127(29,30)152(46)128(31,32)92-102)79-80-156(108-141-115(163(77-63-55-7)103-93-129(33,34)153(47)130(35,36)94-103)146-116(142-108)164(78-64-56-8)104-95-131(37,38)154(48)132(39,40)96-104)70-66-68-134-106-137-111(159(73-59-51-3)99-85-121(17,18)149(43)122(19,20)86-99)144-112(138-106)160(74-60-52-4)100-87-123(21,22)150(44)124(23,24)88-100/h97-104H,49-96H2,1-48H3,(H,133,135,136,143)(H,134,137,138,144)",OWXXKGVQBCBSFJ-UHFFFAOYSA-N,C132H250N32,2285.6,2285.057981,29.8,237,3790,0,2,32,55,164,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0
mu-Conotoxin GIIIa,,56843427,"(3S)-3-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-4-oxo-4-[[(1R,4S,7S,10S,12R,16S,19R,22S,25S,28S,31S,34R,37S,40S,43S,45R,49S,51R,55S,58R,65R,72R)-16,31,37,40-tetrakis(4-aminobutyl)-65-[[(2S)-1-amino-1-oxopropan-2-yl]carbamoyl]-7,22-bis(3-amino-3-oxopropyl)-4,25-bis(3-carbamimidamidopropyl)-28-(carboxymethyl)-12,45,51-trihydroxy-55-[(1R)-1-hydroxyethyl]-3,6,9,15,18,21,24,27,30,33,36,39,42,48,54,57,63,71-octadecaoxo-60,61,67,68,74,75-hexathia-2,5,8,14,17,20,23,26,29,32,35,38,41,47,53,56,64,70-octadecazahexacyclo[32.28.7.719,58.010,14.043,47.049,53]hexaheptacontan-72-yl]amino]butanoic acid",C[C@H]([C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N3C[C@@H](C[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]4CSSC[C@H](NC(=O)[C@@H]5CSSC[C@@H](C(=O)N1)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N6C[C@@H](C[C@H]6C(=O)N[C@H](C(=O)N[C@H](C(=O)N5)CCCNC(=N)N)CCC(=O)N)O)CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC4=O)CCCCN)CC(=O)O)CCCNC(=N)N)CCC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)N)C(=O)N[C@@H](C)C(=O)N)CCCCN)CCCCN)O)O)O,"InChI=1S/C100H170N38O32S6/c1-46(76(108)149)118-87(160)62-40-171-172-41-63-88(161)122-52(15-3-7-25-101)80(153)128-61(36-74(147)148)85(158)121-55(19-12-30-116-99(111)112)79(152)123-57(21-23-71(106)143)84(157)131-64-42-173-175-44-66(132-86(159)60(35-73(145)146)127-77(150)51(105)14-11-29-115-98(109)110)91(164)134-67(92(165)135-75(47(2)139)97(170)138-39-50(142)34-70(138)96(169)137-38-49(141)33-69(137)94(167)124-54(17-5-9-27-103)78(151)119-53(81(154)129-63)16-4-8-26-102)45-176-174-43-65(90(163)133-62)130-82(155)56(20-13-31-117-100(113)114)120-83(156)58(22-24-72(107)144)125-93(166)68-32-48(140)37-136(68)95(168)59(126-89(64)162)18-6-10-28-104/h46-70,75,139-142H,3-45,101-105H2,1-2H3,(H2,106,143)(H2,107,144)(H2,108,149)(H,118,160)(H,119,151)(H,120,156)(H,121,158)(H,122,161)(H,123,152)(H,124,167)(H,125,166)(H,126,162)(H,127,150)(H,128,153)(H,129,154)(H,130,155)(H,131,157)(H,132,159)(H,133,163)(H,134,164)(H,135,165)(H,145,146)(H,147,148)(H4,109,110,115)(H4,111,112,116)(H4,113,114,117)/t46-,47+,48+,49+,50+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,75-/m0/s1",JXBJHMUQZOSJPJ-HTVVLJMASA-N,C100H170N38O32S6,2609.1,2608.120117,-21.6,1340,5700,0,41,46,49,176,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Coumarin, 7-hydroxy-4-(4-pyridyl)-",,5702839,7-hydroxy-4-pyridin-4-ylchromen-2-one,C1=CC2=C(C=C1O)OC(=O)C=C2C3=CC=NC=C3,"InChI=1S/C14H9NO3/c16-10-1-2-11-12(9-3-5-15-6-4-9)8-14(17)18-13(11)7-10/h1-8,16H",PTBKPYBPJZBSMP-UHFFFAOYSA-N,C14H9NO3,239.23,239.0582431,2.1,59.4,360,0,1,4,1,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Cyclohepten-1-one, 3-methyl-6-(1-methylethenyl)-2-(3-oxobutyl)-, (6S)-",,70723,cyclohept-2-en-1-one,C1CCC(=O)C=CC1,"InChI=1S/C7H10O/c8-7-5-3-1-2-4-6-7/h3,5H,1-2,4,6H2",WZCRDVTWUYLPTR-UHFFFAOYSA-N,C7H10O,110.15,110.0731649,1.4,17.1,114,0,0,1,0,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Cyclopenten-1-one, 2,5-dimethyl-3,4-diphenyl-4-hydroxy-",,223673,"4-hydroxy-2,5-dimethyl-3,4-diphenylcyclopent-2-en-1-one",CC1C(=O)C(=C(C1(C2=CC=CC=C2)O)C3=CC=CC=C3)C,"InChI=1S/C19H18O2/c1-13-17(15-9-5-3-6-10-15)19(21,14(2)18(13)20)16-11-7-4-8-12-16/h3-12,14,21H,1-2H3",VAAQGIJITBVELH-UHFFFAOYSA-N,C19H18O2,278.3,278.1306798,3,37.3,438,0,1,2,2,21,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Dibenzo(3,4:6,7)cyclohepta(1,2-c)pyridine, 2,3,4,9-tetrahydro-2-methyl-, (Z)-2-butenedioate",,5282470,"(Z)-but-2-enedioic acid;4-methyl-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaene",CN1CCC2=C(C1)C3=CC=CC=C3CC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C19H19N.C4H4O4/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20;5-3(6)1-2-4(7)8/h2-9H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-",AVPIBVPBCWBXIU-BTJKTKAUSA-N,C23H23NO4,377.4,377.1627082,,77.8,516,0,2,5,2,28,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Diselane, bis(phenylmethyl)-",,95955,(benzyldiselanyl)methylbenzene,C1=CC=C(C=C1)C[Se][Se]CC2=CC=CC=C2,"InChI=1S/C14H14Se2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2",HYAVEDMFTNAZQE-UHFFFAOYSA-N,C14H14Se2,340.2,341.94259,,0,150,0,0,0,5,16,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
EC 145,,25014653,"(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-[2-[[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15R,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]carbamoyloxy]ethyldisulfanyl]ethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid",CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)NNC(=O)OCCSSC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)NCC1=CN=C2C(=N1)C(=O)NC(=N2)N)O)O)CC)OC)C(=O)OC)O,"InChI=1S/C86H109N21O26S2/c1-6-82(129)35-42-36-85(78(127)132-5,64-47(21-26-106(39-42)41-82)46-12-8-9-13-50(46)95-64)49-30-48-57(34-58(49)131-4)105(3)75-84(48)23-27-107-25-11-22-83(7-2,74(84)107)76(125)86(75,130)77(126)103-104-81(128)133-28-29-134-135-40-56(73(123)124)100-70(119)55(33-62(113)114)99-69(118)54(32-61(111)112)98-67(116)51(14-10-24-90-79(87)88)96-68(117)53(31-60(109)110)94-59(108)20-19-52(72(121)122)97-66(115)43-15-17-44(18-16-43)91-37-45-38-92-65-63(93-45)71(120)102-80(89)101-65/h8-9,11-13,15-18,22,30,34,38,42,51-56,74-76,91,95,125,129-130H,6-7,10,14,19-21,23-29,31-33,35-37,39-41H2,1-5H3,(H,94,108)(H,96,117)(H,97,115)(H,98,116)(H,99,118)(H,100,119)(H,103,126)(H,104,128)(H,109,110)(H,111,112)(H,113,114)(H,121,122)(H,123,124)(H4,87,88,90)(H3,89,92,101,102,120)/t42-,51-,52-,53-,54-,55-,56-,74-,75+,76+,82-,83+,84+,85-,86-/m0/s1",KUZYSQSABONDME-QRLOMCMNSA-N,C86H109N21O26S2,1917,1915.729405,-6.7,768,4470,0,23,36,44,135,,,0,0,0,0,0,0,0,1,0,0,1,0,0,1,0,0,1,0,1,1
Ferrlecit,,76968835,"sodium;pentakis((2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol);bis(iron(3+));tris(oxygen(2-));(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate",C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O.C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O.C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O.C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O.C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[O-2].[O-2].[O-2].[Na+].[Fe+3].[Fe+3],"InChI=1S/5C12H22O11.C6H12O7.2Fe.Na.3O/c5*13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12;7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;;/h5*4-11,13-20H,1-3H2;2-5,7-11H,1H2,(H,12,13);;;;;;/q;;;;;;2*+3;+1;3*-2/p-1/t5*4-,5-,6-,7-,8+,9-,10+,11-,12+;2-,3-,4+,5-;;;;;;/m111111....../s1",MQBDAEHWGRMADS-XNHLMZCASA-M,C66H121Fe2NaO65,2089.3,2088.475919,,1090,571,0,45,65,30,134,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydantoin, 5-benzyl-5-phenyl-",,232319,"5-benzyl-5-phenylimidazolidine-2,4-dione",C1=CC=C(C=C1)CC2(C(=O)NC(=O)N2)C3=CC=CC=C3,"InChI=1S/C16H14N2O2/c19-14-16(18-15(20)17-14,13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,18,19,20)",ITLQPKUEVLGNAG-UHFFFAOYSA-N,C16H14N2O2,266.29,266.1055277,2.8,58.2,384,0,2,2,3,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indole-4,7-dione, 5-methoxy-1,2-dimethyl-3-((4-nitrophenoxy)methyl)-",,4470790,"5-methoxy-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]indole-4,7-dione",CC1=C(C2=C(N1C)C(=O)C=C(C2=O)OC)COC3=CC=C(C=C3)[N+](=O)[O-],"InChI=1S/C18H16N2O6/c1-10-13(9-26-12-6-4-11(5-7-12)20(23)24)16-17(19(10)2)14(21)8-15(25-3)18(16)22/h4-8H,9H2,1-3H3",IBLWSLZYYZHSRG-UHFFFAOYSA-N,C18H16N2O6,356.3,356.1008362,2.4,103,620,0,0,6,4,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-Isoxazolamine, 3-(2-furanyl)-",,2517654,"3-(furan-2-yl)-1,2-oxazol-5-amine",C1=COC(=C1)C2=NOC(=C2)N,"InChI=1S/C7H6N2O2/c8-7-4-5(9-11-7)6-2-1-3-10-6/h1-4H,8H2",MKXZGFIJQYOAAA-UHFFFAOYSA-N,C7H6N2O2,150.13,150.0429274,0.8,65.2,142,0,1,4,1,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-Isoxazolamine, 3-(2-thienyl)-",,216901,"3-thiophen-2-yl-1,2-oxazol-5-amine",C1=CSC(=C1)C2=NOC(=C2)N,"InChI=1S/C7H6N2OS/c8-7-4-5(9-10-7)6-2-1-3-11-6/h1-4H,8H2",ZXTCNNQAVDHZHL-UHFFFAOYSA-N,C7H6N2OS,166.2,166.020084,1.4,80.3,144,0,1,4,1,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-Isoxazoleacetic acid, 4,5-dihydro-3-phenyl-",,10798271,"2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid",C1C(ON=C1C2=CC=CC=C2)CC(=O)O,"InChI=1S/C11H11NO3/c13-11(14)7-9-6-10(12-15-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)",MUFJHYRCIHHATF-UHFFFAOYSA-N,C11H11NO3,205.21,205.0738932,1.3,58.9,269,0,1,4,3,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
"Naphthyridine, benzo(h)imidazo(2,1-f)(1,6)-",,136069,"1,8-naphthyridine",C1=CC2=C(N=C1)N=CC=C2,InChI=1S/C8H6N2/c1-3-7-4-2-6-10-8(7)9-5-1/h1-6H,FLBAYUMRQUHISI-UHFFFAOYSA-N,C8H6N2,130.15,130.0530982,1.5,25.8,102,0,0,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phthalimide, N,N'-(ethylenedioxy)di-",,2249224,"2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione",C1=CC=C2C(=C1)C(=O)N(C2=O)OCCON3C(=O)C4=CC=CC=C4C3=O,"InChI=1S/C18H12N2O6/c21-15-11-5-1-2-6-12(11)16(22)19(15)25-9-10-26-20-17(23)13-7-3-4-8-14(13)18(20)24/h1-8H,9-10H2",CDKMESCTNMNHID-UHFFFAOYSA-N,C18H12N2O6,352.3,352.0695361,1.7,93.2,533,0,0,6,5,26,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Propanamide, N-((2S)-2-(((1Z)-1-methyl-3-oxo-3-(4-(trifluoromethyl)phenyl)-1-propenyl)amino)-3-(4-(2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy)phenyl)propyl)-",,446738,"N-[(2S)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-[[(Z)-4-oxo-4-[4-(trifluoromethyl)phenyl]but-2-en-2-yl]amino]propyl]propanamide",CCC(=O)NC[C@H](CC1=CC=C(C=C1)OCCC2=C(OC(=N2)C3=CC=CC=C3)C)N/C(=C\C(=O)C4=CC=C(C=C4)C(F)(F)F)/C,"InChI=1S/C35H36F3N3O4/c1-4-33(43)39-22-29(40-23(2)20-32(42)26-12-14-28(15-13-26)35(36,37)38)21-25-10-16-30(17-11-25)44-19-18-31-24(3)45-34(41-31)27-8-6-5-7-9-27/h5-17,20,29,40H,4,18-19,21-22H2,1-3H3,(H,39,43)/b23-20-/t29-/m0/s1",TYEFSRMOUXWTDN-DYQICHDWSA-N,C35H36F3N3O4,619.7,619.2657911,7.9,93.5,954,0,2,9,14,45,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9H-Purin-2-amine, 6-(cyclohexylmethoxy)-",,4564,6-(cyclohexylmethoxy)-7H-purin-2-amine,C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)N,"InChI=1S/C12H17N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16,17)",MWGXGTJJAOZBNW-UHFFFAOYSA-N,C12H17N5O,247.3,247.1433102,2.1,89.7,271,0,2,5,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrazole-3-carboxamide, N-((1S)-2-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)-1-methylethyl)-5-(1-hydroxyethyl)-",,67171867,N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-5-(1-hydroxyethyl)-1H-pyrazole-3-carboxamide,C[C@@H](CN1C=CC(=N1)C2=CC(=C(C=C2)C#N)Cl)NC(=O)C3=NNC(=C3)C(C)O,"InChI=1S/C19H19ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11-12,27H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-,12?/m0/s1",BLIJXOOIHRSQRB-PXYINDEMSA-N,C19H19ClN6O2,398.8,398.1258016,1.8,120,598,0,3,5,6,28,,719.5±60.0,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrazolo(1,5-a)pyridine, 2-((4-(4-chlorophenyl)-1-piperazinyl)methyl)-",,10336538,"2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine",C1CN(CCN1CC2=NN3C=CC=CC3=C2)C4=CC=C(C=C4)Cl,"InChI=1S/C18H19ClN4/c19-15-4-6-17(7-5-15)22-11-9-21(10-12-22)14-16-13-18-3-1-2-8-23(18)20-16/h1-8,13H,9-12,14H2",DTRXURJDKOYCCD-UHFFFAOYSA-N,C18H19ClN4,326.8,326.1298243,3.2,23.8,377,0,0,3,3,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-((4-((2-fluoroethoxy)methyl)phenyl)methoxy)-",,24864646,2-tert-butyl-4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]pyridazin-3-one,CC(C)(C)N1C(=O)C(=C(C=N1)OCC2=CC=C(C=C2)COCCF)Cl,"InChI=1S/C18H22ClFN2O3/c1-18(2,3)22-17(23)16(19)15(10-21-22)25-12-14-6-4-13(5-7-14)11-24-9-8-20/h4-7,10H,8-9,11-12H2,1-3H3",RMXZKEPDYBTFOS-UHFFFAOYSA-N,C18H22ClFN2O3,368.8,368.1302984,3,51.1,523,0,0,5,8,25,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"6-Pyrimidinol, 2-mercapto-4-phenyl-",,697057,6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one,C1=CC=C(C=C1)C2=CC(=O)NC(=S)N2,"InChI=1S/C10H8N2OS/c13-9-6-8(11-10(14)12-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)",XEKNACRTWJHOCE-UHFFFAOYSA-N,C10H8N2OS,204.25,204.0357341,1.3,73.2,292,0,2,2,1,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyrrolidinecarboxamide, 1-((3R)-5-chloro-1-((2,4-dimethoxyphenyl)sulfonyl)-2,3-dihydro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl)-4-hydroxy-N,N-dimethyl-, (2S,4R)-",,9895468,"(2S,4R)-1-[(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide",CN(C)C(=O)[C@@H]1C[C@H](CN1[C@]2(C3=C(C=CC(=C3)Cl)N(C2=O)S(=O)(=O)C4=C(C=C(C=C4)OC)OC)C5=CC=CC=C5OC)O,"InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1",NJXZWIIMWNEOGJ-WEWKHQNJSA-N,C30H32ClN3O8S,630.1,629.1598639,3.4,134,1140,0,1,9,8,43,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"3-Quinolinecarbonitrile, 1,4,5,6,7,8-hexahydro-4-(m-methoxyphenyl)-5-oxo-2,7,7-trimethyl-",,2818321,"4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile",CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)OC)C#N,"InChI=1S/C20H22N2O2/c1-12-15(11-21)18(13-6-5-7-14(8-13)24-4)19-16(22-12)9-20(2,3)10-17(19)23/h5-8,18,22H,9-10H2,1-4H3",JUEIAJWYHNTPIA-UHFFFAOYSA-N,C20H22N2O2,322.4,322.1681279,3.1,62.1,662,0,1,4,2,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thienopyrimidine, 5-methyl-",,12603004,"thieno[3,2-d]pyrimidine",C1=CSC2=CN=CN=C21,InChI=1S/C6H4N2S/c1-2-9-6-3-7-4-8-5(1)6/h1-4H,RBNBDIMXFJYDLQ-UHFFFAOYSA-N,C6H4N2S,136.18,136.0095193,1.3,54,107,0,0,3,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(5H)-Thiophenone, 3,5-dimethyl-4-hydroxy-5-(2-methyl-1,3-butadienyl)-, (R-(E))-, sodium salt",,137898,2H-thiophen-5-one,C1C=CC(=O)S1,"InChI=1S/C4H4OS/c5-4-2-1-3-6-4/h1-2H,3H2",NMSLUAZZTFUUFZ-UHFFFAOYSA-N,C4H4OS,100.14,99.99828592,0.8,42.4,95,0,0,2,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thioxanthene, 2-(dimethylamino)-9-(3-(dimethylamino)propylidene)-, dihydrochloride,sesquihydrate",,67495,9H-thioxanthene,C1C2=CC=CC=C2SC3=CC=CC=C31,"InChI=1S/C13H10S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2",PQJUJGAVDBINPI-UHFFFAOYSA-N,C13H10S,198.29,198.0503215,3.9,25.3,181,0,0,1,0,14,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-1,2,4-Triazole-1-ethanol, alpha-(1-chlorocyclopropyl)-alpha-((2-chlorophenyl)methyl)-",,119361,"2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol",C1CC1(C(CC2=CC=CC=C2Cl)(CN3C=NC=N3)O)Cl,"InChI=1S/C14H15Cl2N3O/c15-12-4-2-1-3-11(12)7-14(20,13(16)5-6-13)8-19-10-17-9-18-19/h1-4,9-10,20H,5-8H2",HHUQPWODPBDTLI-UHFFFAOYSA-N,C14H15Cl2N3O,312.2,311.0592175,2.7,50.9,353,0,1,3,5,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3H-1,2,4-Triazol-3-one, 5-(2,4-dihydroxy-5-(1-methylethyl)phenyl)-2,4-dihydro-4-(1-methyl-1H-indol-5-yl)-",,135564985,"3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(1-methylindol-5-yl)-1H-1,2,4-triazol-5-one",CC(C)C1=C(C=C(C(=C1)C2=NNC(=O)N2C3=CC4=C(C=C3)N(C=C4)C)O)O,"InChI=1S/C20H20N4O3/c1-11(2)14-9-15(18(26)10-17(14)25)19-21-22-20(27)24(19)13-4-5-16-12(8-13)6-7-23(16)3/h4-11,25-26H,1-3H3,(H,22,27)",RVAQIUULWULRNW-UHFFFAOYSA-N,C20H20N4O3,364.4,364.1535405,3.1,90.1,610,0,3,4,3,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, N-(4-chlorophenyl)-N'-(3-(6-(1-pyrrolidinyl)-2-pyridinyl)phenyl)-",,11560249,1-(4-chlorophenyl)-3-[3-(6-pyrrolidin-1-yl-2-pyridinyl)phenyl]urea,C1CCN(C1)C2=CC=CC(=N2)C3=CC(=CC=C3)NC(=O)NC4=CC=C(C=C4)Cl,"InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)",HDAYFSFWIPRJSO-UHFFFAOYSA-N,C22H21ClN4O,392.9,392.140389,4.6,57.3,505,0,2,3,4,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"L-Valine, N-((1-(cyclohexylmethyl)-1H-indol-3-yl)carbonyl)-3-methyl-, methyl ester",,125181404,"methyl (2S)-2-[[1-(cyclohexylmethyl)indole-3-carbonyl]amino]-3,3-dimethylbutanoate",CC(C)(C)[C@@H](C(=O)OC)NC(=O)C1=CN(C2=CC=CC=C21)CC3CCCCC3,"InChI=1S/C23H32N2O3/c1-23(2,3)20(22(27)28-4)24-21(26)18-15-25(14-16-10-6-5-7-11-16)19-13-9-8-12-17(18)19/h8-9,12-13,15-16,20H,5-7,10-11,14H2,1-4H3,(H,24,26)/t20-/m1/s1",SRJKCVHWIDFUBO-HXUWFJFHSA-N,C23H32N2O3,384.5,384.2412929,5.3,60.3,551,0,1,3,7,28,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BISAZOBIPHENYL DYE,003626-28-6,135506439,"disodium;4-amino-5-hydroxy-3-[[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]diazenyl]-6-phenyldiazenylnaphthalene-2,7-disulfonate",C1=CC=C(C=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=CC=C(C=C6)O)N)O.[Na+].[Na+],"InChI=1S/C34H25N7O8S2.2Na/c35-31-30-22(19-29(51(47,48)49)33(34(30)43)41-38-23-4-2-1-3-5-23)18-28(50(44,45)46)32(31)40-39-25-12-8-21(9-13-25)20-6-10-24(11-7-20)36-37-26-14-16-27(42)17-15-26;;/h1-19,42-43H,35H2,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2",DDLNJHAAABRHFY-UHFFFAOYSA-L,C34H23N7Na2O8S2,767.7,767.0844916,,272,1410,0,3,15,7,53,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
BRADYKININ ACETATE SALT,006846-03-3,91886389,acetic acid;(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid,CC(=O)O.C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)N)C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O,"InChI=1S/C50H73N15O11.C2H4O2/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55;1-2(3)4/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57);1H3,(H,3,4)/t32-,33-,34-,35-,36-,37-,38-,39-;/m0./s1",VIGBULRGBBKXHS-MIEKKPBHSA-N,C52H77N15O13,1120.3,1119.582528,,456,2110,0,13,16,27,80,,,0,1,1,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0
INDIGO,000482-89-3,10215,2-(3-hydroxy-1H-indol-2-yl)indol-3-one,C1=CC=C2C(=C1)C(=C(N2)C3=NC4=CC=CC=C4C3=O)O,"InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17,19H",QQILFGKZUJYXGS-UHFFFAOYSA-N,C16H10N2O2,262.26,262.0742276,2.7,65.5,448,0,2,3,1,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
LARICIRESINOL,027003-73-2,332427,"4-[[(3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenol",COC1=C(C=CC(=C1)C[C@H]2CO[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)OC)O,"InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1",MHXCIKYXNYCMHY-AUSJPIAWSA-N,C20H24O6,360.4,360.1572885,2.4,88.4,433,0,3,6,6,26,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-DIOXEPANE",000505-65-7,68162,"1,3-dioxepane",C1CCOCOC1,InChI=1S/C5H10O2/c1-2-4-7-5-6-3-1/h1-5H2,CZLMRJZAHXYRIX-UHFFFAOYSA-N,C5H10O2,102.13,102.0680796,0.4,18.5,39,0,0,2,0,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0
"NAPHTHALENE, 1,4-DIHYDRO-",000612-17-9,69155,"1,4-dihydronaphthalene",C1C=CCC2=CC=CC=C21,"InChI=1S/C10H10/c1-2-6-10-8-4-3-7-9(10)5-1/h1-6H,7-8H2",FUPIVZHYVSCYLX-UHFFFAOYSA-N,C10H10,130.19,130.0782503,3,0,119,0,0,0,0,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
ETHYLIDENE NORBORNENE,016219-75-3,27756,5-ethylidenebicyclo[2.2.1]hept-2-ene,CC=C1CC2CC1C=C2,"InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3",OJOWICOBYCXEKR-UHFFFAOYSA-N,C9H12,120.19,120.0939004,2.2,0,174,0,0,0,0,9,"79 °F (NTP, 1992)","297.7 °F at 760 mmHg (USCG, 1999)",0,0,1,0,1,0,1,1,1,0,0,0,0,0,0,0,1,1,1,1
"6-THIABICYCLO[3.2.1]OCT-3-ENE, 4,7,7-TRIMETHYL-",006784-08-3,110922,"4,7,7-trimethyl-6-thiabicyclo[3.2.1]oct-3-ene",CC1=CCC2CC1SC2(C)C,"InChI=1S/C10H16S/c1-7-4-5-8-6-9(7)11-10(8,2)3/h4,8-9H,5-6H2,1-3H3",ODZMYNHWVMNAFY-UHFFFAOYSA-N,C10H16S,168.3,168.0972717,2.5,25.3,203,0,0,1,0,11,,,1,0,0,0,1,0,1,1,1,0,0,0,0,0,0,0,1,1,0,0
"1-OXA-4-AZA-2-SILACYCLOHEXANE, 2,2,4-TRIMETHYL-",010196-49-3,82445,"2,2,4-trimethyl-1,4,2-oxazasilinane",CN1CCO[Si](C1)(C)C,"InChI=1S/C6H15NOSi/c1-7-4-5-8-9(2,3)6-7/h4-6H2,1-3H3",GGPLWEZGITVTJX-UHFFFAOYSA-N,C6H15NOSi,145.27,145.0922906,,12.5,105,0,0,2,0,9,,,0,1,1,1,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2,2,6,6-TETRAMETHYLPIPERIDINE, ZINC SALT",207788-38-3,155887239,"lithium;zinc;bis(2,2,6,6-tetramethylpiperidin-1-ide);chloride",[Li+].CC1(CCCC([N-]1)(C)C)C.CC1(CCCC([N-]1)(C)C)C.[Cl-].[Zn+2],"InChI=1S/2C9H18N.ClH.Li.Zn/c2*1-8(2)6-5-7-9(3,4)10-8;;;/h2*5-7H2,1-4H3;1H;;/q2*-1;;+1;+2/p-1",HADJOMKWMXNFKI-UHFFFAOYSA-M,C18H36ClLiN2Zn,388.3,386.201847,,2,111,0,0,3,0,23,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
SEPHAROSE CL-4B,061970-08-9,46213588,"4-[6-[(1-hydroxy-3-methylbutan-2-yl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile",CC(C)C(CO)NC1=NN2C(=NC=C2C3=CC=C(C=C3)C#N)C=C1,"InChI=1S/C18H19N5O/c1-12(2)15(11-24)21-17-7-8-18-20-10-16(23(18)22-17)14-5-3-13(9-19)4-6-14/h3-8,10,12,15,24H,11H2,1-2H3,(H,21,22)",CQZVJEKKNHOFNB-UHFFFAOYSA-N,C18H19N5O,321.4,321.1589603,2.7,86.2,454,0,2,5,5,24,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
VINYL AZLACTONE,029513-26-6,9812794,"2-ethenyl-4,4-dimethyl-1,3-oxazol-5-one",CC1(C(=O)OC(=N1)C=C)C,"InChI=1S/C7H9NO2/c1-4-5-8-7(2,3)6(9)10-5/h4H,1H2,2-3H3",QKPKBBFSFQAMIY-UHFFFAOYSA-N,C7H9NO2,139.15,139.0633285,1,38.7,216,0,0,3,1,10,,,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0
4-(DICYANOMETHYLENE)-2-METHYL-6-(4-(DIMETHYLAMINO)STYRYL)-4H-PYRAN,051325-91-8,688222,2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]propanedinitrile,CC1=CC(=C(C#N)C#N)C=C(O1)/C=C/C2=CC=C(C=C2)N(C)C,"InChI=1S/C19H17N3O/c1-14-10-16(17(12-20)13-21)11-19(23-14)9-6-15-4-7-18(8-5-15)22(2)3/h4-11H,1-3H3/b9-6+",YLYPIBBGWLKELC-RMKNXTFCSA-N,C19H17N3O,303.4,303.1371622,3.4,60.1,650,0,0,4,3,23,,,0,0,1,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,1
"1-(BIS(DIMETHYLAMINO)METHYLENE)-1H-1,2,3-TRIAZOLO(4,5-B)PYRIDINIUM HEXAFLUOROPHOSPHATE(1-), 3-OXIDE",148893-10-1,6409673,"[dimethylamino-(3-oxidotriazolo[4,5-b]pyridin-3-ium-1-yl)methylidene]-dimethylazanium hexafluorophosphate",CN(C)C(=[N+](C)C)N1C2=C(N=CC=C2)[N+](=N1)[O-].F[P-](F)(F)(F)(F)F,"InChI=1S/C10H15N6O.F6P/c1-13(2)10(14(3)4)15-8-6-5-7-11-9(8)16(17)12-15;1-7(2,3,4,5)6/h5-7H,1-4H3;/q+1;-1",FKBFHOSFPRWJNV-UHFFFAOYSA-N,C10H15F6N6OP,380.23,380.0949151,,62.4,364,0,0,10,2,24,,,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,1,0,1
"BIS((1,2,4,5-ETA)-1,5-DIPHENYL-1,4-PENTADIEN-3-ONE)PALLADIUM",032005-36-0,6505921,"bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium",C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.[Pd],"InChI=1S/2C17H14O.Pd/c2*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h2*1-14H;/b2*13-11+,14-12+;",UKSZBOKPHAQOMP-SVLSSHOZSA-N,C34H28O2Pd,575,574.11241,,34.1,272,0,0,2,8,37,,,0,1,1,1,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,0
PHOSPHORUS PENTASULFIDE,001314-80-3,14817,"1,3,5,7-tetrakis(sulfanylidene)-2,4,6,8,9,10-hexathia-1lambda5,3lambda5,5lambda5,7lambda5-tetraphosphatricyclo[3.3.1.13,7]decane",P12(=S)SP3(=S)SP(=S)(S1)SP(=S)(S2)S3,"InChI=1S/P4S10/c5-1-9-2(6)12-3(7,10-1)14-4(8,11-1)13-2",CYQAYERJWZKYML-UHFFFAOYSA-N,P4S10,444.6,443.6157597,6.9,280,327,0,0,10,0,14,,"957 °F at 760 mmHg (USCG, 1999)",1,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0
BIS-N-METHYLACRIDINIUM NITRATE,002315-97-1,65099,10-methyl-9-(10-methylacridin-10-ium-9-yl)acridin-10-ium dinitrate,C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C4=C5C=CC=CC5=[N+](C6=CC=CC=C64)C.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-],"InChI=1S/C28H22N2.2NO3/c1-29-23-15-7-3-11-19(23)27(20-12-4-8-16-24(20)29)28-21-13-5-9-17-25(21)30(2)26-18-10-6-14-22(26)28;2*2-1(3)4/h3-18H,1-2H3;;/q+2;2*-1",KNJDBYZZKAZQNG-UHFFFAOYSA-N,C28H22N4O6,510.5,510.1539344,,134,522,0,0,6,1,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
VALINOMYCIN,002001-95-8,3000706,"(3S,6S,9R,12R,15S,18S,21R,24R,27S,30S,33R,36R)-6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone",C[C@H]1C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O1)C(C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C(C)C,"InChI=1S/C54H90N6O18/c1-22(2)34-49(67)73-31(19)43(61)55-38(26(9)10)53(71)77-41(29(15)16)47(65)59-36(24(5)6)51(69)75-33(21)45(63)57-39(27(11)12)54(72)78-42(30(17)18)48(66)60-35(23(3)4)50(68)74-32(20)44(62)56-37(25(7)8)52(70)76-40(28(13)14)46(64)58-34/h22-42H,1-21H3,(H,55,61)(H,56,62)(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m0/s1",FCFNRCROJUBPLU-DNDCDFAISA-N,C54H90N6O18,1111.3,1110.63116,9.1,332,1910,0,6,18,9,78,,,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
CYTOCHALASIN E,036011-19-5,5458385,"(1S,5E,7R,9S,11E,13S,14S,16R,17S,18S,19S)-19-benzyl-7-hydroxy-7,9,16,17-tetramethyl-2,4,15-trioxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-5,11-diene-3,8,21-trione",C[C@H]1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@]2(C(=O)N[C@H]4CC5=CC=CC=C5)OC(=O)O/C=C/[C@@](C1=O)(C)O)C)C,"InChI=1S/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8+,14-13+/t16-,17-,19-,20-,21-,23-,26+,27+,28+/m0/s1",LAJXCUNOQSHRJO-ZYGJITOWSA-N,C28H33NO7,495.6,495.2257024,3.5,114,986,0,2,7,2,36,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
DITHIAZINE IODIDE,000514-73-8,5702697,"(2Z)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole iodide",CCN\1C2=CC=CC=C2S/C1=C\C=C\C=C\C3=[N+](C4=CC=CC=C4S3)CC.[I-],"InChI=1S/C23H23N2S2.HI/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1",MNQDKWZEUULFPX-UHFFFAOYSA-M,C23H23IN2S2,518.5,518.03474,,60.7,537,0,0,4,5,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ENDRIN KETONE,053494-70-5,62060,"1,2,2,3,10,11-hexachloropentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-one",C1C2C3C4C1C(=O)C2C5(C3(C(C4(C5Cl)Cl)(Cl)Cl)Cl)Cl,"InChI=1S/C12H8Cl6O/c13-8-9(14)6-2-1-3(7(6)19)4-5(2)11(9,16)12(17,18)10(4,8)15/h2-6,8H,1H2",IZHZFAQWVKBTSL-UHFFFAOYSA-N,C12H8Cl6O,380.9,379.867681,3.2,17.1,564,0,0,1,0,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
WORTMANNIN,019545-26-7,312145,"[(1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-trien-3-yl] acetate",CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@]4([C@H](OC(=O)C5=COC(=C54)C3=O)COC)C)C,"InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1",QDLHCMPXEPAAMD-QAIWCSMKSA-N,C23H24O8,428.4,428.1471177,1.2,109,921,0,0,8,4,31,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-HYDROXY-4H-FURO(3,2-C)PYRAN-2(6H)-ONE",000149-29-1,4696,"4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one",C1C=C2C(=CC(=O)O2)C(O1)O,"InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2",ZRWPUFFVAOMMNM-UHFFFAOYSA-N,C7H6O4,154.12,154.0266087,-1,55.8,264,0,1,4,0,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"Picolinic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolyl)",003930-19-6,5298,"5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylic acid",CC1=C(C(=C(N=C1C(=O)O)C2=NC3=C(C=C2)C(=O)C(=C(C3=O)N)OC)N)C4=C(C(=C(C=C4)OC)OC)O,"InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)",PVYJZLYGTZKPJE-UHFFFAOYSA-N,C25H22N4O8,506.5,506.1437637,1.8,197,944,0,4,12,6,37,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
COUMATETRALYL,005836-29-3,54678504,"4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one",C1CC(C2=CC=CC=C2C1)C3=C(C4=CC=CC=C4OC3=O)O,"InChI=1S/C19H16O3/c20-18-15-9-3-4-11-16(15)22-19(21)17(18)14-10-5-7-12-6-1-2-8-13(12)14/h1-4,6,8-9,11,14,20H,5,7,10H2",ULSLJYXHZDTLQK-UHFFFAOYSA-N,C19H16O3,292.3,292.1099444,4.1,46.5,481,0,1,3,1,22,,,0,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"2H-1-Benzopyran-2-one, 4-hydroxy-3-(1,2,3,4-tetrahydro-3-(4-((4-(trifluorometh",090035-08-8,54698175,"4-hydroxy-3-[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one",C1C(CC2=CC=CC=C2C1C3=C(C4=CC=CC=C4OC3=O)O)C5=CC=C(C=C5)OCC6=CC=C(C=C6)C(F)(F)F,"InChI=1S/C33H25F3O4/c34-33(35,36)24-13-9-20(10-14-24)19-39-25-15-11-21(12-16-25)23-17-22-5-1-2-6-26(22)28(18-23)30-31(37)27-7-3-4-8-29(27)40-32(30)38/h1-16,23,28,37H,17-19H2",KKBGNYHHEIAGOH-UHFFFAOYSA-N,C33H25F3O4,542.5,542.1704938,7.7,55.8,915,0,1,7,5,40,,,1,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
APICIDIN,183506-66-3,6918328,"(3S,6S,9S,12R)-3-[(2S)-butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone",CC[C@H](C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC3=CN(C4=CC=CC=C43)OC)CCCCCC(=O)CC,"InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1",JWOGUUIOCYMBPV-GMFLJSBRSA-N,C34H49N5O6,623.8,623.3682843,4.4,139,1050,0,3,6,12,45,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"PHENYTOIN, SODIUM SALT",000630-93-3,657302,"sodium 5,5-diphenylimidazolidin-3-ide-2,4-dione",C1=CC=C(C=C1)C2(C(=O)[N-]C(=O)N2)C3=CC=CC=C3.[Na+],"InChI=1S/C15H12N2O2.Na/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H2,16,17,18,19);/q;+1/p-1",FJPYVLNWWICYDW-UHFFFAOYSA-M,C15H11N2NaO2,274.25,274.0718219,,47.2,356,0,1,3,2,20,,,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,1,1,0
TETRAPHENYLTIN,000595-90-4,61146,tetraphenylstannane,C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4,InChI=1S/4C6H5.Sn/c4*1-2-4-6-5-3-1;/h4*1-5H;,CRHIAMBJMSSNNM-UHFFFAOYSA-N,C24H20Sn,427.1,428.058703,,0,301,0,0,0,4,25,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
ARSENIC(III) SULFIDE,001303-33-9,71586773,"2,4,5-trithia-1,3-diarsabicyclo[1.1.1]pentane",S1[As]2S[As]1S2,InChI=1S/As2S3/c3-1-4-2(3)5-1,UKUVVAMSXXBMRX-UHFFFAOYSA-N,As2S3,246,245.7594,,75.9,33,0,0,3,0,5,,707 °C,0,1,0,1,0,1,0,1,0,0,0,0,0,1,0,0,0,0,1,1
PTH-EPSILON-PHENYLTHIOCARBAMYL-LYSINE,005657-26-1,3034586,1-[4-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)butyl]-3-phenylthiourea,C1=CC=C(C=C1)NC(=S)NCCCCC2C(=O)N(C(=S)N2)C3=CC=CC=C3,"InChI=1S/C20H22N4OS2/c25-18-17(23-20(27)24(18)16-11-5-2-6-12-16)13-7-8-14-21-19(26)22-15-9-3-1-4-10-15/h1-6,9-12,17H,7-8,13-14H2,(H,23,27)(H2,21,22,26)",BUPYRERCBPFRFM-UHFFFAOYSA-N,C20H22N4OS2,398.5,398.1235037,3.7,121,530,0,3,3,7,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TETRABUTYLAMMONIUM DIFLUOROTRIPHENYLSTANNATE,139353-88-1,2733194,difluoro(triphenyl)stannanuide;tetrabutylazanium,CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C=C1)[Sn-](C2=CC=CC=C2)(C3=CC=CC=C3)(F)F,"InChI=1S/C16H36N.3C6H5.2FH.Sn/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;3*1-2-4-6-5-3-1;;;/h5-16H2,1-4H3;3*1-5H;2*1H;/q+1;;;;;;+1/p-2",ODMXVCNGZGLSRS-UHFFFAOYSA-L,C34H51F2NSn,630.5,631.30116,,0,401,0,0,3,15,38,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
DIPHENYL SELENIDE,001132-39-4,14333,phenylselanylbenzene,C1=CC=C(C=C1)[Se]C2=CC=CC=C2,InChI=1S/C12H10Se/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H,ORQWTLCYLDRDHK-UHFFFAOYSA-N,C12H10Se,233.18,233.99477,,0,116,0,0,0,2,13,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"DIACENAPHTHO(1,2-B:1',2'-D)THIOPHENE",000203-42-9,221040,"14-thiaheptacyclo[14.7.1.14,8.02,15.03,13.020,24.012,25]pentacosa-1(23),2(15),3(13),4,6,8(25),9,11,16,18,20(24),21-dodecaene",C1=CC2=C3C(=C1)C4=C(C3=CC=C2)SC5=C4C6=CC=CC7=C6C5=CC=C7,InChI=1S/C24H12S/c1-5-13-7-3-11-17-19(13)15(9-1)21-22-16-10-2-6-14-8-4-12-18(20(14)16)24(22)25-23(17)21/h1-12H,RSYZJSLQEJIVSN-UHFFFAOYSA-N,C24H12S,332.4,332.0659716,6.8,28.2,508,0,0,1,0,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
OCTAMETHYLCYCLOTETRASILAZANE,001020-84-4,66100,"2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetrazatetrasilocane",C[Si]1(N[Si](N[Si](N[Si](N1)(C)C)(C)C)(C)C)C,"InChI=1S/C8H28N4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h9-12H,1-8H3",FIADVASZMLCQIF-UHFFFAOYSA-N,C8H28N4Si4,292.68,292.1391031,,48.1,197,0,4,4,0,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
THIOFLAVINE T,002390-54-7,16953,"4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline chloride",CC1=CC2=C(C=C1)[N+](=C(S2)C3=CC=C(C=C3)N(C)C)C.[Cl-],"InChI=1S/C17H19N2S.ClH/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3;/h5-11H,1-4H3;1H/q+1;/p-1",JADVWWSKYZXRGX-UHFFFAOYSA-M,C17H19ClN2S,318.9,318.0957475,,35.4,325,0,0,3,2,21,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
DANSYL-L-PHENYLALANINE FREE ACID,001104-36-5,13734199,(2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-phenylpropanoic acid,CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O,"InChI=1S/C21H22N2O4S/c1-23(2)19-12-6-11-17-16(19)10-7-13-20(17)28(26,27)22-18(21(24)25)14-15-8-4-3-5-9-15/h3-13,18,22H,14H2,1-2H3,(H,24,25)/t18-/m0/s1",GPIOGTIFRDHWSB-SFHVURJKSA-N,C21H22N2O4S,398.5,398.1300284,3.8,95.1,625,0,2,6,7,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LEIUROTOXIN I,116235-63-3,71311759,"(4S)-4-[[(2R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoyl]amino]-5-[[(2R)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid",CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C)N,"InChI=1S/C142H243N45O39S7/c1-17-75(14)112(139(225)159-59-108(194)163-95(55-110(197)198)130(216)164-80(32-22-25-42-144)121(207)180-98(62-227)135(221)168-85(37-39-109(195)196)123(209)183-102(66-231)137(223)186-111(74(12)13)140(226)170-81(33-23-26-43-145)119(205)171-87(113(149)199)53-78-56-154-68-160-78)187-138(224)103(67-232)182-117(203)79(31-21-24-41-143)161-106(192)57-157-115(201)88(47-69(2)3)173-125(211)90(49-71(6)7)162-107(193)58-158-116(202)89(48-70(4)5)174-131(217)96(60-188)178-120(206)83(35-28-45-156-142(152)153)166-133(219)100(64-229)185-132(218)97(61-189)179-127(213)92(51-73(10)11)175-122(208)84(36-38-104(147)190)167-134(220)99(63-228)181-124(210)86(40-46-233-16)169-118(204)82(34-27-44-155-141(150)151)165-126(212)91(50-72(8)9)176-129(215)94(54-105(148)191)177-136(222)101(65-230)184-128(214)93(172-114(200)76(15)146)52-77-29-19-18-20-30-77/h18-20,29-30,56,68-76,79-103,111-112,188-189,227-232H,17,21-28,31-55,57-67,143-146H2,1-16H3,(H2,147,190)(H2,148,191)(H2,149,199)(H,154,160)(H,157,201)(H,158,202)(H,159,225)(H,161,192)(H,162,193)(H,163,194)(H,164,216)(H,165,212)(H,166,219)(H,167,220)(H,168,221)(H,169,204)(H,170,226)(H,171,205)(H,172,200)(H,173,211)(H,174,217)(H,175,208)(H,176,215)(H,177,222)(H,178,206)(H,179,213)(H,180,207)(H,181,210)(H,182,203)(H,183,209)(H,184,214)(H,185,218)(H,186,223)(H,187,224)(H,195,196)(H,197,198)(H4,150,151,155)(H4,152,153,156)/t75-,76-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,111-,112-/m0/s1",MXWDLLUGULWYIQ-BFRWRHKQSA-N,C142H243N45O39S7,3429.2,3427.649336,-12.8,1410,7500,0,54,53,121,233,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-[5-(1,3-BENZODIOXOL-5-YL)-1-OXO-2,4-PENTADIENYL]-, (E,E)-PIPERIDINE",000094-62-2,638024,"(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one",C1CCN(CC1)C(=O)/C=C/C=C/C2=CC3=C(C=C2)OCO3,"InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+",MXXWOMGUGJBKIW-YPCIICBESA-N,C17H19NO3,285.34,285.1364935,3.5,38.8,412,0,0,3,3,21,,498.00 to 499.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3(2H,9BH)-DIBENZOFURANDIONE, 2,6-DIACETYL-7,9-DIHYDROXY-8,9B-DIMETHYL-",000125-46-2,5646,"2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione",CC1=C(C(=C2C(=C1O)C3(C(=CC(=O)C(C3=O)C(=O)C)O2)C)C(=O)C)O,"InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,11,22-23H,1-4H3",CUCUKLJLRRAKFN-UHFFFAOYSA-N,C18H16O7,344.3,344.0896029,1.4,118,708,0,2,7,2,25,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
SECOBARBITAL SODIUM,000309-43-3,14148199,"sodium 5-pentan-2-yl-5-prop-2-enylpyrimidin-3-ide-2,4,6-trione",CCCC(C)C1(C(=O)NC(=O)[N-]C1=O)CC=C.[Na+],"InChI=1S/C12H18N2O3.Na/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16;/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17);/q;+1/p-1",AXXJTNXVUHVOJW-UHFFFAOYSA-M,C12H17N2NaO3,260.26,260.1136867,,64.2,370,0,1,4,5,18,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE, 1,5-DIHYDRO-",000315-30-0,135401907,"1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one",C1=NNC2=C1C(=O)NC=N2,"InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)",OFCNXPDARWKPPY-UHFFFAOYSA-N,C5H4N4O,136.11,136.0385108,-0.7,70.1,190,0,2,3,0,10,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
RACEMORAMIDE,000545-59-5,9648,"3-methyl-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one",CC(CN1CCOCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N4CCCC4,"InChI=1S/C25H32N2O2/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3",INUNXTSAACVKJS-UHFFFAOYSA-N,C25H32N2O2,392.5,392.2463783,3.8,32.8,495,0,0,3,6,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1
"1,2-OXATHIETANE, 3,3,4,4-TETRAFLUORO-, 2,2-DIOXIDE",000697-18-7,69678,"3,3,4,4-tetrafluorooxathietane 2,2-dioxide",C1(C(S(=O)(=O)O1)(F)F)(F)F,"InChI=1S/C2F4O3S/c3-1(4)2(5,6)10(7,8)9-1",ZMSRCMWBEGLBAI-UHFFFAOYSA-N,C2F4O3S,180.08,179.9504277,1,51.8,248,0,0,7,0,10,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZOTHIAZOLIUM, 3-ETHYL-2-[(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)METHYL]-, IODID",002197-01-5,6504364,"(2Z)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole iodide",CCN\1C2=CC=CC=C2S/C1=C\C3=[N+](C4=CC=CC=C4S3)CC.[I-],"InChI=1S/C19H19N2S2.HI/c1-3-20-14-9-5-7-11-16(14)22-18(20)13-19-21(4-2)15-10-6-8-12-17(15)23-19;/h5-13H,3-4H2,1-2H3;1H/q+1;/p-1",XWUVSDMFUQTKQC-UHFFFAOYSA-M,C19H19IN2S2,466.4,466.00344,,60.7,412,0,0,4,3,24,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-IMIDAZOLIUM, 1-DODECYL-2-METHYL-3-(PHENYLMETHYL)-, CHLORIDE",021054-72-8,88762,1-benzyl-3-dodecyl-2-methylimidazol-1-ium chloride,CCCCCCCCCCCCN1C=C[N+](=C1C)CC2=CC=CC=C2.[Cl-],"InChI=1S/C23H37N2.ClH/c1-3-4-5-6-7-8-9-10-11-15-18-24-19-20-25(22(24)2)21-23-16-13-12-14-17-23;/h12-14,16-17,19-20H,3-11,15,18,21H2,1-2H3;1H/q+1;/p-1",PBODPHKDNYVCEJ-UHFFFAOYSA-M,C23H37ClN2,377,376.2645269,,8.8,311,0,0,1,13,26,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Piperidinol, 4-(4-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-1-(4,4-bis(p-f",026864-56-2,33630,"1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol",C1CN(CCC1(C2=CC(=C(C=C2)Cl)C(F)(F)F)O)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F,"InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2",MDLAAYDRRZXJIF-UHFFFAOYSA-N,C28H27ClF5NO,524,523.170133,7.3,23.5,647,0,1,7,7,36,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
YO-PRO 1,152068-09-2,156593851,"trimethyl-[3-[4-[(Z)-(3-methyl-1,3-benzoxazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azanium iodide",CN\1C2=CC=CC=C2O/C1=C\C3=CC=[N+](C4=CC=CC=C34)CCC[N+](C)(C)C.[I-],"InChI=1S/C24H29N3O.HI/c1-25-22-12-7-8-13-23(22)28-24(25)18-19-14-16-26(15-9-17-27(2,3)4)21-11-6-5-10-20(19)21;/h5-8,10-14,16,18H,9,15,17H2,1-4H3;1H/q+2;/p-1",AENOEFLKXRHCEE-UHFFFAOYSA-M,C24H29IN3O+,502.4,502.13554,,16.4,555,1,0,3,5,29,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
NAPHYRONE HYDROCHLORIDE,850352-11-3,53326964,1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one;hydrochloride,CCCC(C(=O)C1=CC2=CC=CC=C2C=C1)N3CCCC3.Cl,"InChI=1S/C19H23NO.ClH/c1-2-7-18(20-12-5-6-13-20)19(21)17-11-10-15-8-3-4-9-16(15)14-17;/h3-4,8-11,14,18H,2,5-7,12-13H2,1H3;1H",SIOVYKZRZLWQSY-UHFFFAOYSA-N,C19H24ClNO,317.9,317.1546421,,20.3,347,0,1,2,5,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-DICYCLOHEXYLCARBODIIMIDE",000538-75-0,10868,"N,N'-dicyclohexylmethanediimine",C1CCC(CC1)N=C=NC2CCCCC2,"InChI=1S/C13H22N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h12-13H,1-10H2",QOSSAOTZNIDXMA-UHFFFAOYSA-N,C13H22N2,206.33,206.1782987,4.7,24.7,201,0,0,2,2,15,"greater than 235 °F (NTP, 1992)","252 to 255 °F at 6 mmHg (NTP, 1992)",0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"2,5-DIMERCAPTO-1,3,4-THIADIAZOLE",001072-71-5,2723630,"1,3,4-thiadiazolidine-2,5-dithione",C1(=S)NNC(=S)S1,"InChI=1S/C2H2N2S3/c5-1-3-4-2(6)7-1/h(H,3,5)(H,4,6)",BIGYLAKFCGVRAN-UHFFFAOYSA-N,C2H2N2S3,150.3,149.9380116,1.3,114,106,0,2,3,0,7,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
PENICILLIN-G BENZATHINE,001538-09-6,15232,"N,N'-dibenzylethane-1,2-diamine;bis((2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid)",CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2,"InChI=1S/2C16H18N2O4S.C16H20N2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2/t2*11-,12+,14-;/m11./s1",BVGLIYRKPOITBQ-ANPZCEIESA-N,C48H56N6O8S2,909.1,908.3601051,,248,701,0,6,12,15,64,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
5ALPHA-ANDROST-16-EN-ONE,018339-16-7,6852393,"(5S,8R,9S,10S,13R,14S)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-one",C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CC[C@@H]4[C@@]3(CCC(=O)C4)C,"InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15-,16-,17-,18-,19-/m0/s1",HFVMLYAGWXSTQI-QYXZOKGRSA-N,C19H28O,272.4,272.2140155,4.9,17.1,464,0,0,1,0,20,,371.00 to 372.00 °C. @ 760.00 mm Hg,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1,4-ANDROSTADIENE-3,17-DIONE",000897-06-3,13472,"(8R,9S,10R,13S,14S)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione",C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C,"InChI=1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1",LUJVUUWNAPIQQI-QAGGRKNESA-N,C19H24O2,284.4,284.17763,3,34.1,584,0,0,2,0,21,,,0,0,0,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
VINYLENE CARBONATE,000872-36-6,13385,"1,3-dioxol-2-one",C1=COC(=O)O1,InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1-2H,VAYTZRYEBVHVLE-UHFFFAOYSA-N,C3H2O3,86.05,86.00039392,0.3,35.5,84,0,0,3,0,6,,,0,1,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,1,1,0
CAPREOMYCIN SULFATE,001405-37-4,71457947,"3,6-diamino-N-[[(2S,5S,8Z,11S,15S)-15-amino-11-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-8-[(carbamoylamino)methylidene]-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide;3,6-diamino-N-[[(2S,5S,8Z,11S,15S)-15-amino-11-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-8-[(carbamoylamino)methylidene]-2-methyl-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide;sulfuric acid",C[C@H]1C(=O)N[C@H](C(=O)N/C(=C\NC(=O)N)/C(=O)N[C@H](C(=O)NC[C@@H](C(=O)N1)N)C2CCN=C(N2)N)CNC(=O)CC(CCCN)N.C1CN=C(NC1[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C\NC(=O)N)/C(=O)N2)CNC(=O)CC(CCCN)N)CO)N)N.OS(=O)(=O)O.OS(=O)(=O)O,"InChI=1S/C25H44N14O8.C25H44N14O7.2H2O4S/c26-4-1-2-11(27)6-17(41)32-8-14-20(43)35-15(9-34-25(30)47)21(44)39-18(13-3-5-31-24(29)38-13)23(46)33-7-12(28)19(42)37-16(10-40)22(45)36-14;1-11-19(41)36-15(9-32-17(40)7-12(27)3-2-5-26)21(43)37-16(10-34-25(30)46)22(44)39-18(14-4-6-31-24(29)38-14)23(45)33-8-13(28)20(42)35-11;2*1-5(2,3)4/h9,11-14,16,18,40H,1-8,10,26-28H2,(H,32,41)(H,33,46)(H,35,43)(H,36,45)(H,37,42)(H,39,44)(H3,29,31,38)(H3,30,34,47);10-15,18H,2-9,26-28H2,1H3,(H,32,40)(H,33,45)(H,35,42)(H,36,41)(H,37,43)(H,39,44)(H3,29,31,38)(H3,30,34,46);2*(H2,1,2,3,4)/b15-9-;16-10-;;/t11?,12-,13?,14-,16-,18-;11-,12?,13-,14?,15-,18-;;/m00../s1",TUATYNXRYJTQTQ-BVRBKCERSA-N,C50H92N28O23S2,1517.6,1516.633154,,903,2550,0,31,31,19,103,,,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
2-MERCAPTOPURINE,028128-19-0,3015569,"3,7-dihydropurine-2-thione",C1=NC(=S)NC2=C1NC=N2,"InChI=1S/C5H4N4S/c10-5-6-1-3-4(9-5)8-2-7-3/h1-2H,(H2,6,7,8,9,10)",HDBQZGJWHMCXIL-UHFFFAOYSA-N,C5H4N4S,152.18,152.0156673,0.1,85.2,190,0,2,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
TESTOSTERONE CYPIONATE,000058-20-8,441404,"[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4CCCC4)CCC5=CC(=O)CC[C@]35C,"InChI=1S/C27H40O3/c1-26-15-13-20(28)17-19(26)8-9-21-22-10-11-24(27(22,2)16-14-23(21)26)30-25(29)12-7-18-5-3-4-6-18/h17-18,21-24H,3-16H2,1-2H3/t21-,22-,23-,24-,26-,27-/m0/s1",HPFVBGJFAYZEBE-ZLQWOROUSA-N,C27H40O3,412.6,412.2977451,6.4,43.4,732,0,0,3,5,30,,,0,1,1,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
TESTOLACTONE (TESLAC),000968-93-4,13769,"(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]chromene-2,8-dione",C[C@]12CC[C@H]3[C@H]([C@@H]1CCC(=O)O2)CCC4=CC(=O)C=C[C@]34C,"InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1",BPEWUONYVDABNZ-DZBHQSCQSA-N,C19H24O3,300.4,300.1725446,3,43.4,602,0,0,3,0,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1H-PYRAZOLE, 3,5-DIPHENYL-",001145-01-3,70840,"3,5-diphenyl-1H-pyrazole",C1=CC=C(C=C1)C2=CC(=NN2)C3=CC=CC=C3,"InChI=1S/C15H12N2/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-11H,(H,16,17)",JXHKUYQCEJILEI-UHFFFAOYSA-N,C15H12N2,220.27,220.1000484,3.5,28.7,229,0,1,1,2,17,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRAZINO[2,3-B]PYRAZINE, DECAHYDRO-",005409-42-7,79418,"1,2,3,4,4a,5,6,7,8,8a-decahydropyrazino[2,3-b]pyrazine",C1CNC2C(N1)NCCN2,"InChI=1S/C6H14N4/c1-2-8-6-5(7-1)9-3-4-10-6/h5-10H,1-4H2",HQJLFRMMLKYIJX-UHFFFAOYSA-N,C6H14N4,142.2,142.1218465,-1.6,48.1,90,0,4,4,0,10,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,0
"1,3,2-OXATHIASTANNOLAN-5-ONE, 2,2-DIOCTYL-",015535-79-2,16682773,"2,2-dioctyl-1,3,2-oxathiastannolan-5-one",CCCCCCCC[Sn]1(OC(=O)CS1)CCCCCCCC,"InChI=1S/2C8H17.C2H4O2S.Sn/c2*1-3-5-7-8-6-4-2;3-2(4)1-5;/h2*1,3-8H2,2H3;5H,1H2,(H,3,4);/q;;;+2/p-2",KEUUHXDTZRYITO-UHFFFAOYSA-L,C18H36O2SSn,435.3,436.145804,,51.6,281,0,0,3,14,22,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,1
"BENZAMIDE, 2-HYDROXY-N-1H-1,2,4-TRIAZOL-3-YL-",036411-52-6,94473,"2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide",C1=CC=C(C(=C1)C(=O)NC2=NC=NN2)O,"InChI=1S/C9H8N4O2/c14-7-4-2-1-3-6(7)8(15)12-9-10-5-11-13-9/h1-5,14H,(H2,10,11,12,13,15)",MZZYGYNZAOVRTG-UHFFFAOYSA-N,C9H8N4O2,204.19,204.0647255,1.4,90.9,236,0,3,4,2,15,,,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"CYANAMIDE, (1,4,5,6-TETRAHYDRO-4,6-DIOXO-2-PYRIMIDINYL)-",055067-10-2,135517995,"(4,6-dioxo-1,3-diazinan-2-ylidene)cyanamide",C1C(=O)NC(=NC#N)NC1=O,"InChI=1S/C5H4N4O2/c6-2-7-5-8-3(10)1-4(11)9-5/h1H2,(H2,7,8,9,10,11)",JCHNBNRIALLIDT-UHFFFAOYSA-N,C5H4N4O2,152.11,152.0334254,-1.1,94.4,266,0,2,4,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PROPANEDIOIC ACID, ((3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL)METHYL)BUTYL-,",063843-89-0,93348,"bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-butyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate",CCCCC(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)(C(=O)OC2CC(N(C(C2)(C)C)C)(C)C)C(=O)OC3CC(N(C(C3)(C)C)C)(C)C,"InChI=1S/C42H72N2O5/c1-18-19-20-42(34(46)48-29-24-38(8,9)43(16)39(10,11)25-29,35(47)49-30-26-40(12,13)44(17)41(14,15)27-30)23-28-21-31(36(2,3)4)33(45)32(22-28)37(5,6)7/h21-22,29-30,45H,18-20,23-27H2,1-17H3",FLPKSBDJMLUTEX-UHFFFAOYSA-N,C42H72N2O5,685,684.5441234,10.6,79.3,1040,0,1,7,13,49,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"METHANAMINIUM, N-[4-[[4-(DIMETHYLAMINO)PHENYL]PHENYLMETHYLENE]-2,5-CYCLOHEXADI",068527-61-7,110455,"[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium benzoate",CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.C1=CC=C(C=C1)C(=O)[O-],"InChI=1S/C23H25N2.C7H6O2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;8-7(9)6-4-2-1-3-5-6/h5-17H,1-4H3;1-5H,(H,8,9)/q+1;/p-1",XXDIMAOKYNRIQM-UHFFFAOYSA-M,C30H30N2O2,450.6,450.2307282,,46.4,614,0,0,3,3,34,,,1,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
"PYRIDINIUM, 4-[2-[4-[ETHYL(PHENYLMETHYL)AMINO]PHENYL]ETHENYL]-1-(2-HYDROXYETHY",077769-98-3,166495,2-[4-[2-[4-[benzyl(ethyl)amino]phenyl]ethenyl]pyridin-1-ium-1-yl]ethanol chloride,CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C=CC3=CC=[N+](C=C3)CCO.[Cl-],"InChI=1S/C24H27N2O.ClH/c1-2-26(20-23-6-4-3-5-7-23)24-12-10-21(11-13-24)8-9-22-14-16-25(17-15-22)18-19-27;/h3-17,27H,2,18-20H2,1H3;1H/q+1;/p-1",HWXYWDWTXBHFJQ-UHFFFAOYSA-M,C24H27ClN2O,394.9,394.1811912,,27.4,416,0,1,3,8,28,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
BIPHENYLYL PHENYL ETHERS,028984-89-6,81220,1-phenoxy-2-phenylbenzene,C1=CC=C(C=C1)C2=CC=CC=C2OC3=CC=CC=C3,InChI=1S/C18H14O/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)19-16-11-5-2-6-12-16/h1-14H,UHJWZORSTYATLW-UHFFFAOYSA-N,C18H14O,246.3,246.1044651,4.8,9.2,250,0,0,1,3,19,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
N-(1-ADAMANTYL)-1-(5-FLUOROPENTYL)-1H-INDAZOLE-3-CARBOXAMIDE,1400742-13-3,71711119,N-(1-adamantyl)-1-(5-fluoropentyl)indazole-3-carboxamide,C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NN(C5=CC=CC=C54)CCCCCF,"InChI=1S/C23H30FN3O/c24-8-4-1-5-9-27-20-7-3-2-6-19(20)21(26-27)22(28)25-23-13-16-10-17(14-23)12-18(11-16)15-23/h2-3,6-7,16-18H,1,4-5,8-15H2,(H,25,28)",UCMFSGVIEPXYIV-UHFFFAOYSA-N,C23H30FN3O,383.5,383.2372908,5.2,46.9,541,0,1,3,7,28,,,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
HIDC IODIDE,036536-22-8,119007,"1,3,3-trimethyl-2-[5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indole iodide",CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3C)(C)C)C)C.[I-],"InChI=1S/C27H31N2.HI/c1-26(2)20-14-10-12-16-22(20)28(5)24(26)18-8-7-9-19-25-27(3,4)21-15-11-13-17-23(21)29(25)6;/h7-19H,1-6H3;1H/q+1;/p-1",UANMYOBKUNUUTR-UHFFFAOYSA-M,C27H31IN2,510.5,510.1532,,6.3,689,0,0,2,3,30,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DICYLOHEXYLPHENYLPHOSPHINE,006476-37-5,80970,dicyclohexyl(phenyl)phosphane,C1CCC(CC1)P(C2CCCCC2)C3=CC=CC=C3,"InChI=1S/C18H27P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2",VPLLTGLLUHLIHA-UHFFFAOYSA-N,C18H27P,274.4,274.1850379,5.1,0,226,0,0,0,3,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-BENZYL-4-PIPERIDONE,003612-20-2,19220,1-benzylpiperidin-4-one,C1CN(CCC1=O)CC2=CC=CC=C2,"InChI=1S/C12H15NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2",SJZKULRDWHPHGG-UHFFFAOYSA-N,C12H15NO,189.25,189.1153641,1.2,20.3,186,0,0,2,2,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
FAST BLUE BB SALT PURIFIED GRADE,005486-84-0,16212913,"bis(4-benzamido-2,5-diethoxybenzenediazonium);dichlorozinc;dichloride",CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)[N+]#N.CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)[N+]#N.[Cl-].[Cl-].Cl[Zn]Cl,"InChI=1S/2C17H17N3O3.4ClH.Zn/c2*1-3-22-15-11-14(20-18)16(23-4-2)10-13(15)19-17(21)12-8-6-5-7-9-12;;;;;/h2*5-11H,3-4H2,1-2H3;4*1H;/q;;;;;;+2/p-2",CMFRFQODFZBKTI-UHFFFAOYSA-L,C34H36Cl4N6O6Zn,831.9,830.071235,,151,431,0,2,10,12,51,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
RIFAMPICIN,013292-46-1,135398735,"[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate",C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C=N/N5CCN(CC5)C)/C,"InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1",JQXXHWHPUNPDRT-WLSIYKJHSA-N,C43H58N4O12,822.9,822.4051233,4.9,220,1620,0,6,15,5,59,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,7,13,18,-TETRAOXA-1,10-DIAZABICYCLO-(8.5.5)EICOSANE",031250-06-3,169276,"4,7,13,18-tetraoxa-1,10-diazabicyclo[8.5.5]icosane",C1COCCN2CCOCCN1CCOCCOCC2,InChI=1S/C14H28N2O4/c1-7-17-9-3-16-4-10-18-8-2-15(1)5-11-19-13-14-20-12-6-16/h1-14H2,LVNQVIZBPSRXAN-UHFFFAOYSA-N,C14H28N2O4,288.38,288.2049074,-0.7,43.4,207,0,0,6,0,20,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DIPHENYLBORINIC ACID, ETHANOLAMINE ESTER",000524-95-8,1598,2-diphenylboranyloxyethanamine,B(C1=CC=CC=C1)(C2=CC=CC=C2)OCCN,"InChI=1S/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2",BLZVCIGGICSWIG-UHFFFAOYSA-N,C14H16BNO,225.1,225.1324943,,35.3,182,0,1,2,5,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DEHYDROASCORBIC ACID,000490-83-5,440667,"(5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-trione",C([C@@H]([C@@H]1C(=O)C(=O)C(=O)O1)O)O,"InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1",SBJKKFFYIZUCET-JLAZNSOCSA-N,C6H6O6,174.11,174.0164379,-1,101,244,0,2,6,2,12,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIPHENYLPHOSPHINE SULFIDE,003878-45-3,19758,triphenyl(sulfanylidene)-lambda5-phosphane,C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C18H15PS/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H",VYNGFCUGSYEOOZ-UHFFFAOYSA-N,C18H15PS,294.4,294.0632087,4.6,32.1,281,0,0,1,3,20,,,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,5-DIMETHYL-1,2-CYCLOPENTANEDIONE",013494-07-0,61634,"3,5-dimethylcyclopentane-1,2-dione",CC1CC(C(=O)C1=O)C,"InChI=1S/C7H10O2/c1-4-3-5(2)7(9)6(4)8/h4-5H,3H2,1-2H3",MIDXCONKKJTLDX-UHFFFAOYSA-N,C7H10O2,126.15,126.0680796,0.7,34.1,142,0,0,2,0,9,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"9-METHYL-3-(1H-TETRAZOL-5-YL)-4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONE POTASSIUM SALT",100299-08-9,443866,"potassium 9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one",CC1=CC=CN2C1=NC=C(C2=O)C3=NN=N[N-]3.[K+],"InChI=1S/C10H7N6O.K/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8;/h2-5H,1H3;/q-1;+1",NMMVKSMGBDRONO-UHFFFAOYSA-N,C10H7KN6O,266.3,266.0318404,,72.3,495,0,0,6,1,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
TRIS(DIBENZYLIDENEACETONE)DIPALLADIUM-CHLOROFORM ADDUCT,052522-40-4,11029508,"chloroform;tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)",C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C(Cl)(Cl)Cl.[Pd].[Pd],"InChI=1S/3C17H14O.CHCl3.2Pd/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;2-1(3)4;;/h3*1-14H;1H;;/b3*13-11+,14-12+;;;",LNAMMBFJMYMQTO-FNEBRGMMSA-N,C52H43Cl3O3Pd2,1035.1,1034.03515,,51.2,280,0,0,3,12,60,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,1,0,1,0
"1,1'-THIOCARBONYLBIS(IMIDAZOLE)",006160-65-2,80264,di(imidazol-1-yl)methanethione,C1=CN(C=N1)C(=S)N2C=CN=C2,InChI=1S/C7H6N4S/c12-7(10-3-1-8-5-10)11-4-2-9-6-11/h1-6H,RAFNCPHFRHZCPS-UHFFFAOYSA-N,C7H6N4S,178.22,178.0313174,0.7,67.7,166,0,0,3,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
1-CYCLOHEXEN-1-YL-BORONIC ACID PINACOL ESTER,141091-37-4,10932675,"2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane",B1(OC(C(O1)(C)C)(C)C)C2=CCCCC2,"InChI=1S/C12H21BO2/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h8H,5-7,9H2,1-4H3",QNZFUMVTUFOLRT-UHFFFAOYSA-N,C12H21BO2,208.11,208.1634601,,18.5,265,0,0,2,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"INDENO[1,2-B]FLUORENE-6,12-DIONE",005695-13-6,14470891,"indeno[1,2-b]fluorene-6,12-dione",C1=CC=C2C(=C1)C3=CC4=C(C=C3C2=O)C5=CC=CC=C5C4=O,InChI=1S/C20H10O2/c21-19-13-7-3-1-5-11(13)15-9-18-16(10-17(15)19)12-6-2-4-8-14(12)20(18)22/h1-10H,AAUHGKXJBZEARK-UHFFFAOYSA-N,C20H10O2,282.3,282.0680796,4.7,34.1,464,0,0,2,0,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"N,N'-1,4-PHENYLENEDIMALEIMIDE",003278-31-7,76765,"1-[4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione",C1=CC(=CC=C1N2C(=O)C=CC2=O)N3C(=O)C=CC3=O,InChI=1S/C14H8N2O4/c17-11-5-6-12(18)15(11)9-1-2-10(4-3-9)16-13(19)7-8-14(16)20/h1-8H,AQGZJQNZNONGKY-UHFFFAOYSA-N,C14H8N2O4,268.22,268.0484067,0.2,74.8,470,0,0,4,2,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-(4-FLUOROBENZOYL)PIPERAZINE,102391-98-0,771862,(4-fluorophenyl)-piperazin-1-ylmethanone,C1CN(CCN1)C(=O)C2=CC=C(C=C2)F,"InChI=1S/C11H13FN2O/c12-10-3-1-9(2-4-10)11(15)14-7-5-13-6-8-14/h1-4,13H,5-8H2",OITKVXMAEXNRRK-UHFFFAOYSA-N,C11H13FN2O,208.23,208.1011912,0.8,32.3,221,0,1,3,1,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3,5-PHENYLTRIBORONIC ACID, TRIS(PINACOL) ESTER",365564-05-2,56776718,"2-[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane",B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)B3OC(C(O3)(C)C)(C)C)B4OC(C(O4)(C)C)(C)C,"InChI=1S/C24H39B3O6/c1-19(2)20(3,4)29-25(28-19)16-13-17(26-30-21(5,6)22(7,8)31-26)15-18(14-16)27-32-23(9,10)24(11,12)33-27/h13-15H,1-12H3",VKOLBYNBPONPAE-UHFFFAOYSA-N,C24H39B3O6,456,456.3025795,,55.4,605,0,0,6,3,33,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-(2-TETRAHYDROPYRANYL)-1H-PYRAZOLE-4-BORONICACID, PINACOL ESTER",1003846-21-6,51000384,"1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole",B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CCCCO3,"InChI=1S/C14H23BN2O3/c1-13(2)14(3,4)20-15(19-13)11-9-16-17(10-11)12-7-5-6-8-18-12/h9-10,12H,5-8H2,1-4H3",YYSLAWXDXHVRHU-UHFFFAOYSA-N,C14H23BN2O3,278.16,278.1801728,,45.5,348,0,0,4,2,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
LEVOGLUCOSENONE,037112-31-5,699486,"(1S,5R)-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one",C1[C@@H]2C=CC(=O)[C@H](O1)O2,"InChI=1S/C6H6O3/c7-5-2-1-4-3-8-6(5)9-4/h1-2,4,6H,3H2/t4-,6+/m0/s1",HITOXZPZGPXYHY-UJURSFKZSA-N,C6H6O3,126.11,126.031694,-0.2,35.5,173,0,0,3,0,9,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-(2,3-DIHYDRO-1,3-DIMETHYL-1HBENZIMIDAZOL-2-YL)-N,N-DIMETHYLBENZENAMINE",302818-73-1,759333,"4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-dimethylaniline",CN1C(N(C2=CC=CC=C21)C)C3=CC=C(C=C3)N(C)C,"InChI=1S/C17H21N3/c1-18(2)14-11-9-13(10-12-14)17-19(3)15-7-5-6-8-16(15)20(17)4/h5-12,17H,1-4H3",AKIIMLCQTGCWQQ-UHFFFAOYSA-N,C17H21N3,267.37,267.1735477,3.7,9.7,304,0,0,3,2,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Isonicotinic acid, 2-(2-(benzylcarbamoyl)ethyl)hydrazide",000051-12-7,4472,N-benzyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide,C1=CC=C(C=C1)CNC(=O)CCNNC(=O)C2=CC=NC=C2,"InChI=1S/C16H18N4O2/c21-15(18-12-13-4-2-1-3-5-13)8-11-19-20-16(22)14-6-9-17-10-7-14/h1-7,9-10,19H,8,11-12H2,(H,18,21)(H,20,22)",NOIIUHRQUVNIDD-UHFFFAOYSA-N,C16H18N4O2,298.34,298.1429758,0.9,83.1,350,0,3,4,7,22,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"as-Triazine-3,5(2H,4H)-dione, 2-beta-D-ribofuranosyl-",000054-25-1,5901,"2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione",C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,"InChI=1S/C8H11N3O6/c12-2-3-5(14)6(15)7(17-3)11-8(16)10-4(13)1-9-11/h1,3,5-7,12,14-15H,2H2,(H,10,13,16)/t3-,5-,6-,7-/m1/s1",WYXSYVWAUAUWLD-SHUUEZRQSA-N,C8H11N3O6,245.19,245.0647851,-2.1,132,372,0,4,7,2,17,,,0,1,1,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
1-[(5-NITROFURFURYLIDENE)AMINO-2-IMIDAZOLIDINONE,000555-84-0,9568055,1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidin-2-one,C1CN(C(=O)N1)/N=C/C2=CC=C(O2)[N+](=O)[O-],"InChI=1S/C8H8N4O4/c13-8-9-3-4-11(8)10-5-6-1-2-7(16-6)12(14)15/h1-2,5H,3-4H2,(H,9,13)/b10-5+",VSVAVMVWTLLTCH-BJMVGYQFSA-N,C8H8N4O4,224.17,224.0545548,-0.6,104,326,0,1,5,2,16,,,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,1-BENZISOXAZOLE, 5-CHLORO-3-PHENYL-",000719-64-2,347291,"5-chloro-3-phenyl-2,1-benzoxazole",C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)Cl,InChI=1S/C13H8ClNO/c14-10-6-7-12-11(8-10)13(16-15-12)9-4-2-1-3-5-9/h1-8H,MUHJZJKVEQASGY-UHFFFAOYSA-N,C13H8ClNO,229.66,229.0294416,4,26,242,0,0,2,1,16,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-ISOINDOLE-1,3(2H)-DIONE, 2-(TETRAHYDRO-2,6-DIOXO-2H-PYRAN-3-YL)-",003343-28-0,92193,"2-(2,6-dioxooxan-3-yl)isoindole-1,3-dione",C1CC(=O)OC(=O)C1N2C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C13H9NO5/c15-10-6-5-9(13(18)19-10)14-11(16)7-3-1-2-4-8(7)12(14)17/h1-4,9H,5-6H2",ICDLEMPZXFCQEB-UHFFFAOYSA-N,C13H9NO5,259.21,259.0480724,0.9,80.8,448,0,0,5,1,19,,,0,1,1,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONAMIDE, 4-METHYL-N-[2-(4-OXO-4H-3,1-BENZOXAZIN-2-YL)PHENYL]-",003808-20-6,989114,"4-methyl-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide",CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4C(=O)O3,"InChI=1S/C21H16N2O4S/c1-14-10-12-15(13-11-14)28(25,26)23-19-9-5-2-6-16(19)20-22-18-8-4-3-7-17(18)21(24)27-20/h2-13,23H,1H3",LIVHLIWSCIZRJU-UHFFFAOYSA-N,C21H16N2O4S,392.4,392.0830782,3.8,93.2,706,0,1,6,4,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,2-OXATHIOLAN-5-ONE, 2,2-DIOXIDE",005961-88-6,80064,"2,2-dioxooxathiolan-5-one",C1CS(=O)(=O)OC1=O,"InChI=1S/C3H4O4S/c4-3-1-2-8(5,6)7-3/h1-2H2",RVLHNHNPUBWSEE-UHFFFAOYSA-N,C3H4O4S,136.13,135.9830298,-0.6,68.8,196,0,0,4,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4-TRIAZOLIDINE-3,5-DIONE, 4-PHENYL-",015988-11-1,85229,"4-phenyl-1,2,4-triazolidine-3,5-dione",C1=CC=C(C=C1)N2C(=O)NNC2=O,"InChI=1S/C8H7N3O2/c12-7-9-10-8(13)11(7)6-4-2-1-3-5-6/h1-5H,(H,9,12)(H,10,13)",GOSUFRDROXZXLN-UHFFFAOYSA-N,C8H7N3O2,177.16,177.0538265,0.7,61.4,220,0,2,2,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5-CYCLOHEXENE-1,2,3,4-TETRONE, 5,6-DIHYDROXY-, BARIUM SALT (1:1)",016833-52-6,85605,"barium(2+);3,4,5,6-tetraoxocyclohexene-1,2-diolate",C1(=C(C(=O)C(=O)C(=O)C1=O)[O-])[O-].[Ba+2],InChI=1S/C6H2O6.Ba/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h7-8H;/q;+2/p-2,CUQKYFXHLIXQIV-UHFFFAOYSA-L,C6BaO6,305.39,305.874735,,114,236,0,0,6,0,13,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"(SP-4-1)-[29H,31H-PHTHALOCYANINATO(2-)-N29,N30,N31,N32]-CADMIUM",021328-74-5,138398563,"cadmium(2+);2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),3,5,7,9,12,14,16,18,21,23,25,27,30,32,34-hexadecaene",C1=CC2=C3NC(=C2C=C1)NC4=C5C=CC=CC5=C([N-]4)NC6=C7C=CC=CC7=C(N6)NC8=C9C=CC=CC9=C(N3)[N-]8.[Cd+2],"InChI=1S/C32H22N8.Cd/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16,33,36-40H;/q-2;+2",TUQGHHLDVUHXOV-UHFFFAOYSA-N,C32H22CdN8,631,632.100108,,81.7,777,0,6,6,0,41,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,2,4-TRITHIOLANE, 3,5-DIMETHYL-",023654-92-4,32033,"3,5-dimethyl-1,2,4-trithiolane",CC1SC(SS1)C,"InChI=1S/C4H8S3/c1-3-5-4(2)7-6-3/h3-4H,1-2H3",HFRUNLRFNNTTPQ-UHFFFAOYSA-N,C4H8S3,152.3,151.9788138,2.4,75.9,56,0,0,3,0,7,,43.00 to 45.00 °C. @ 0.70 mm Hg,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,5,7,10,11,14-HEXAOXA-1,6-DISTIBABICYCLO[4.4.4]TETRADECANE",029736-75-2,16684206,"2,5,7,10,11,14-hexaoxa-1,6-distibabicyclo[4.4.4]tetradecane",C1CO[Sb]2OCCO[Sb](O1)OCCO2,InChI=1S/3C2H4O2.2Sb/c3*3-1-2-4;;/h3*1-2H2;;/q3*-2;2*+3,JEPVJCOLPSALKN-UHFFFAOYSA-N,C6H12O6Sb2,423.68,423.87141,,55.4,124,0,0,6,0,14,,,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"THIENO[3,4-D]PYRIMIDINE, 5,7-DIHYDRO-2-METHYL-",036267-71-7,61951,"2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine",CC1=NC=C2CSCC2=N1,"InChI=1S/C7H8N2S/c1-5-8-2-6-3-10-4-7(6)9-5/h2H,3-4H2,1H3",XSUYIZJJKIKWFN-UHFFFAOYSA-N,C7H8N2S,152.22,152.0408194,0.7,51.1,129,0,0,3,0,10,,280.00 to 281.00 °C. @ 760.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEDIAZONIUM, 2,5-DIETHOXY-4-[(4-METHYLPHENYL)THIO]-, (T-4)-TETRACHLOROZIN",038656-51-8,57383551,"bis(2,5-diethoxy-4-(4-methylphenyl)sulfanylbenzenediazonium);tetrachlorozinc(2-)",CCOC1=CC(=C(C=C1[N+]#N)OCC)SC2=CC=C(C=C2)C.CCOC1=CC(=C(C=C1[N+]#N)OCC)SC2=CC=C(C=C2)C.Cl[Zn-2](Cl)(Cl)Cl,"InChI=1S/2C17H19N2O2S.4ClH.Zn/c2*1-4-20-15-11-17(16(21-5-2)10-14(15)19-18)22-13-8-6-12(3)7-9-13;;;;;/h2*6-11H,4-5H2,1-3H3;4*1H;/q2*+1;;;;;+2/p-4",KCIBXAZYWVZCHR-UHFFFAOYSA-J,C34H38Cl4N4O4S2Zn,838,836.03505,,144,395,0,0,9,12,49,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-Piperidinecarbothioic acid, S-(1-methyl-1-phenylethyl) ester",061432-55-1,91679,S-(2-phenylpropan-2-yl) piperidine-1-carbothioate,CC(C)(C1=CC=CC=C1)SC(=O)N2CCCCC2,"InChI=1S/C15H21NOS/c1-15(2,13-9-5-3-6-10-13)18-14(17)16-11-7-4-8-12-16/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3",BWUPSGJXXPATLU-UHFFFAOYSA-N,C15H21NOS,263.4,263.1343855,3.6,45.6,278,0,0,2,3,18,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3,6,9,12,15,18-HEXAOXAEICOSAN-1-OL, 20-(DINONYLPHENOXY)-, HYDROGEN PHOSPHATE",066172-83-6,105317,"bis[2-[2-[2-[2-[2-[2-[2-[2,6-di(nonyl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] hydrogen phosphate",CCCCCCCCCC1=C(C(=CC=C1)CCCCCCCCC)OCCOCCOCCOCCOCCOCCOCCOP(=O)(O)OCCOCCOCCOCCOCCOCCOCCOC2=C(C=CC=C2CCCCCCCCC)CCCCCCCCC,"InChI=1S/C76H139O18P/c1-5-9-13-17-21-25-29-35-71-39-33-40-72(36-30-26-22-18-14-10-6-2)75(71)91-67-63-87-59-55-83-51-47-79-43-45-81-49-53-85-57-61-89-65-69-93-95(77,78)94-70-66-90-62-58-86-54-50-82-46-44-80-48-52-84-56-60-88-64-68-92-76-73(37-31-27-23-19-15-11-7-3)41-34-42-74(76)38-32-28-24-20-16-12-8-4/h33-34,39-42H,5-32,35-38,43-70H2,1-4H3,(H,77,78)",CGRQJERSZJKLHJ-UHFFFAOYSA-N,C76H139O18P,1371.9,1370.969905,18.9,185,1400,0,1,18,78,95,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,3-NAPHTHALENEDISULFONIC ACID, 7-HYDROXY-8-[[4-(PHENYLAZO)PHENYL]AZO]-, COMPD",072208-29-8,174973,"bis(1,2-bis(2-methylphenyl)guanidine);7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfonic acid",CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N.CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N.C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=CC4=CC(=CC(=C43)S(=O)(=O)O)S(=O)(=O)O)O,"InChI=1S/C22H16N4O7S2.2C15H17N3/c27-19-11-6-14-12-18(34(28,29)30)13-20(35(31,32)33)21(14)22(19)26-25-17-9-7-16(8-10-17)24-23-15-4-2-1-3-5-15;2*1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h1-13,27H,(H,28,29,30)(H,31,32,33);2*3-10H,1-2H3,(H3,16,17,18)",HLQJQXYWIFSUQU-UHFFFAOYSA-N,C52H50N10O7S2,991.1,990.3305363,,296,1270,0,7,13,12,71,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-INDAZOLIUM, 3-[[4-(DIETHYLAMINO)PHENYL]AZO]-1,2-DIMETHYL-, METHYL SULFATE",084788-00-1,174389,"4-[(1,2-dimethylindazol-2-ium-3-yl)diazenyl]-N,N-diethylaniline;methyl sulfate",CCN(CC)C1=CC=C(C=C1)N=NC2=[N+](N(C3=CC=CC=C32)C)C.COS(=O)(=O)[O-],"InChI=1S/C19H24N5.CH4O4S/c1-5-24(6-2)16-13-11-15(12-14-16)20-21-19-17-9-7-8-10-18(17)22(3)23(19)4;1-5-6(2,3)4/h7-14H,5-6H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1",PUJSRYQYFNCEIP-UHFFFAOYSA-M,C20H27N5O4S,433.5,433.1783755,,112,505,0,0,7,5,30,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Indazole-3-carboxamide, 1-methyl-N-(9-methyl-9-azabicyclo(3.3.1)non-3-yl)-,",107007-99-8,65264,1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;hydrochloride,CN1C2CCCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C.Cl,"InChI=1S/C18H24N4O.ClH/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17;/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23);1H",QYZRTBKYBJRGJB-UHFFFAOYSA-N,C18H25ClN4O,348.9,348.1716891,,50.2,442,0,2,3,2,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Methanone, (1-methyl-1H-indol-3-yl)(4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)-,",132907-72-3,107999,"(1-methylindol-3-yl)-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone;hydrochloride",CN1C=C(C2=CC=CC=C21)C(=O)[C@@H]3CCC4=C(C3)NC=N4.Cl,"InChI=1S/C17H17N3O.ClH/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14;/h2-5,9-11H,6-8H2,1H3,(H,18,19);1H/t11-;/m1./s1",XIXYTCLDXQRHJO-RFVHGSKJSA-N,C17H18ClN3O,315.8,315.1138399,,50.7,413,0,2,2,2,22,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
SILICRISTIN,033889-69-9,441764,"(2R,3R)-3,5,7-trihydroxy-2-[(2R,3S)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]-2,3-dihydrochromen-4-one",COC1=C(C=CC(=C1)[C@H]2[C@@H](C3=C(O2)C(=CC(=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)O)CO)O,"InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,22-24,26-30,32H,9H2,1H3/t14-,22+,23+,24-/m1/s1",BMLIIPOXVWESJG-LMBCONBSSA-N,C25H22O10,482.4,482.1212969,2.1,166,765,0,6,10,4,35,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
FINISH,,11097730,"1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid",C1CC1(C(=O)NC2=C(C=C(C=C2)Cl)Cl)C(=O)O,"InChI=1S/C11H9Cl2NO3/c12-6-1-2-8(7(13)5-6)14-9(15)11(3-4-11)10(16)17/h1-2,5H,3-4H2,(H,14,15)(H,16,17)",GLWWLNJJJCTFMZ-UHFFFAOYSA-N,C11H9Cl2NO3,274.1,272.9959485,2.8,66.4,344,0,2,3,3,17,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
CYHEXATIN,013121-70-5,9864905,tricyclohexylstannanylium hydroxide,C1CCC(CC1)[Sn+](C2CCCCC2)C3CCCCC3.[OH-],"InChI=1S/3C6H11.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H2;/q;;;;+1/p-1",WCMMILVIRZAPLE-UHFFFAOYSA-M,C18H34OSn,385.2,386.163168,,1,202,0,1,1,3,20,,"442 °F at 760 mmHg (Decomposes) (NIOSH, 2024)",1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
VELPAR,051235-04-2,39965,"3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione",CN1C(=NC(=O)N(C1=O)C2CCCCC2)N(C)C,"InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3",CAWXEEYDBZRFPE-UHFFFAOYSA-N,C12H20N4O2,252.31,252.1586259,1.3,56.2,386,0,0,2,2,18,,Decomposes,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
PYRACLOSTROBIN,175013-18-0,6422843,methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate,COC(=O)N(C1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl)OC,"InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3",HZRSNVGNWUDEFX-UHFFFAOYSA-N,C19H18ClN3O4,387.8,387.0985838,4.1,65.8,476,0,0,5,7,27,,,1,0,1,1,0,0,1,0,0,0,0,0,0,1,0,0,1,0,1,1
"1-NAPHTHALENEMETHANOL, .ALPHA.,.ALPHA.-BIS[4-(DIMETHYLAMINO)PHENYL]-4-(PHENYLA",006786-83-0,81245,(4-anilinonaphthalen-1-yl)-bis[4-(dimethylamino)phenyl]methanol,CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)(C3=CC=C(C4=CC=CC=C43)NC5=CC=CC=C5)O,"InChI=1S/C33H33N3O/c1-35(2)27-18-14-24(15-19-27)33(37,25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26/h5-23,34,37H,1-4H3",WNDULEJVCPEASN-UHFFFAOYSA-N,C33H33N3O,487.6,487.2623627,7.3,38.7,660,0,2,4,7,37,,,1,0,1,1,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"7H-DIBENZO(C,G)CARBAZOLE",000194-59-2,9134,"12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene",C1=CC=C2C(=C1)C=CC3=C2C4=C(N3)C=CC5=CC=CC=C54,"InChI=1S/C20H13N/c1-3-7-15-13(5-1)9-11-17-19(15)20-16-8-4-2-6-14(16)10-12-18(20)21-17/h1-12,21H",STJXCDGCXVZHDU-UHFFFAOYSA-N,C20H13N,267.3,267.1047994,5.9,15.8,355,0,1,0,0,21,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-BENZOPYRAN-4-ONE, 2,3-DIHYDRO-",000491-37-2,68110,"2,3-dihydrochromen-4-one",C1COC2=CC=CC=C2C1=O,"InChI=1S/C9H8O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4H,5-6H2",MSTDXOZUKAQDRL-UHFFFAOYSA-N,C9H8O2,148.16,148.0524295,1.4,26.3,165,0,0,2,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
P-TOLUENESULFONIC ANHYDRIDE,004124-41-8,77773,(4-methylphenyl)sulfonyl 4-methylbenzenesulfonate,CC1=CC=C(C=C1)S(=O)(=O)OS(=O)(=O)C2=CC=C(C=C2)C,"InChI=1S/C14H14O5S2/c1-11-3-7-13(8-4-11)20(15,16)19-21(17,18)14-9-5-12(2)6-10-14/h3-10H,1-2H3",PDVFSPNIEOYOQL-UHFFFAOYSA-N,C14H14O5S2,326.4,326.0282659,3.1,94.3,475,0,0,5,4,21,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2-CHLORO-4H-1,3,2-BENZODIOXAPHOSPHORIN-4-ONE",005381-99-7,237010,"2-chloro-1,3,2-benzodioxaphosphinin-4-one",C1=CC=C2C(=C1)C(=O)OP(O2)Cl,InChI=1S/C7H4ClO3P/c8-12-10-6-4-2-1-3-5(6)7(9)11-12/h1-4H,BVOITXUNGDUXRW-UHFFFAOYSA-N,C7H4ClO3P,202.53,201.9586587,2.4,35.5,199,0,0,3,0,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
HEXACYCLEN TRISULFATE,056187-09-8,12710211,"1,4,7,10,13,16-hexazacyclooctadecane;sulfuric acid",C1CNCCNCCNCCNCCNCCN1.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O,"InChI=1S/C12H30N6.3H2O4S/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;3*1-5(2,3)4/h13-18H,1-12H2;3*(H2,1,2,3,4)",UXVDKNLOZWKLJC-UHFFFAOYSA-N,C12H36N6O12S3,552.7,552.1553341,,321,189,0,12,18,0,33,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,3,2-DIOXAPHOSPHORINANE, 2-CHLORO-5,5-DIMETHYL-, 2-OXIDE",004090-55-5,77716,"2-chloro-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide",CC1(COP(=O)(OC1)Cl)C,"InChI=1S/C5H10ClO3P/c1-5(2)3-8-10(6,7)9-4-5/h3-4H2,1-2H3",VZMUCIBBVMLEKC-UHFFFAOYSA-N,C5H10ClO3P,184.56,184.0056089,1.2,35.5,166,0,0,3,0,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,3,2-DIOXAPHOSPHORINANE, 5,5-DIMETHYL-, 2-OXIDE",004090-60-2,6335186,"5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide",CC1(CO[P+](=O)OC1)C,"InChI=1S/C5H10O3P/c1-5(2)3-7-9(6)8-4-5/h3-4H2,1-2H3/q+1",YTWYMHQAVLOJKT-UHFFFAOYSA-N,C5H10O3P+,149.1,149.0367562,0.9,35.5,120,1,0,3,0,9,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
PEROXYMONOSULFURIC ACID,007722-86-3,165633,"tetraoxathiolane 5,5-dioxide",O=S1(=O)OOOO1,InChI=1S/O6S/c1-7(2)5-3-4-6-7,DAFQZPUISLXFBF-UHFFFAOYSA-N,O6S,128.06,127.9415589,-0.2,79.4,122,0,0,6,0,7,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"1,2-ETHANEDIAMINE, N-[2-(1-IMIDAZOLIDINYL)ETHYL]-",068758-73-6,111567,"N'-(2-imidazolidin-1-ylethyl)ethane-1,2-diamine",C1CN(CN1)CCNCCN,"InChI=1S/C7H18N4/c8-1-2-9-3-5-11-6-4-10-7-11/h9-10H,1-8H2",BEIDPQDXXXUJEZ-UHFFFAOYSA-N,C7H18N4,158.25,158.1531466,-1.7,53.3,96,0,3,4,5,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
TRP-P-1 (ACETATE),068808-54-8,5284473,"acetic acid;1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine",CC1=C2C(=C(N=C1N)C)C3=CC=CC=C3N2.CC(=O)O,"InChI=1S/C13H13N3.C2H4O2/c1-7-12-11(8(2)15-13(7)14)9-5-3-4-6-10(9)16-12;1-2(3)4/h3-6,16H,1-2H3,(H2,14,15);1H3,(H,3,4)",UXNRBAJNAWIPGF-UHFFFAOYSA-N,C15H17N3O2,271.31,271.1320768,,92,299,0,3,4,0,20,,,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,1,0,0,1
"4,4'-ETHYLENEDIMORPHOLINE",001723-94-0,72888,4-(2-morpholin-4-ylethyl)morpholine,C1COCCN1CCN2CCOCC2,InChI=1S/C10H20N2O2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h1-10H2,QRQKCMFVJWNKQI-UHFFFAOYSA-N,C10H20N2O2,200.28,200.1524779,-0.4,24.9,136,0,0,4,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"HYDROGEN (6R-(6ALPHA, 7BETA(R*)))-4-CARBAMOYL-1-((2-CARBOXYLATO-8-OXO-7-(PHENYLSULPHONATOACETAMIDO)-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHYL)PYRIDINIUM, MONOSODIUM SALT",052152-93-9,656644,"sodium (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfonatoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate",C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)S(=O)(=O)[O-])C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N.[Na+],"InChI=1S/C22H20N4O8S2.Na/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12;/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34);/q;+1/p-1/t15-,17-,21-;/m1./s1",REACMANCWHKJSM-DWBVFMGKSA-M,C22H19N4NaO8S2,554.5,554.0542002,,227,1040,0,2,9,6,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,1,0,1
"1,3-BIS[4-[(4-ISOCYANATOPHENYL)METHYL]PHENYL]-1,3-DIAZETIDINE-2,4-DIONE",017589-24-1,87165,"1,3-bis[4-[(4-isocyanatophenyl)methyl]phenyl]-1,3-diazetidine-2,4-dione",C1=CC(=CC=C1CC2=CC=C(C=C2)N3C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N=C=O)N=C=O,"InChI=1S/C30H20N4O4/c35-19-31-25-9-1-21(2-10-25)17-23-5-13-27(14-6-23)33-29(37)34(30(33)38)28-15-7-24(8-16-28)18-22-3-11-26(12-4-22)32-20-36/h1-16H,17-18H2",ARRNPOPZVLSDGB-UHFFFAOYSA-N,C30H20N4O4,500.5,500.1484551,8.1,99.5,834,0,0,6,8,38,,,0,0,1,0,0,1,0,1,0,0,0,0,0,0,1,0,1,1,1,1
"BUTANEDIOIC ACID, SULFO-, 1,4-DICYCLOHEXYL ESTER, SODIUM SALT",023386-52-9,23692768,"sodium 1,4-dicyclohexyloxy-1,4-dioxobutane-2-sulfonate",C1CCC(CC1)OC(=O)CC(C(=O)OC2CCCCC2)S(=O)(=O)[O-].[Na+],"InChI=1S/C16H26O7S.Na/c17-15(22-12-7-3-1-4-8-12)11-14(24(19,20)21)16(18)23-13-9-5-2-6-10-13;/h12-14H,1-11H2,(H,19,20,21);/q;+1/p-1",UELAIMNOXLAYRW-UHFFFAOYSA-M,C16H25NaO7S,384.4,384.1218686,,118,531,0,0,7,8,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"1,5-DIPHENYL-3-PENTADIENONE",000538-58-9,640180,"(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one",C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2,"InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+",WMKGGPCROCCUDY-PHEQNACWSA-N,C17H14O,234.29,234.1044651,4.1,17.1,272,0,0,1,4,18,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
1-(MESITYLENE-2-SULFONYL)-4-NITROIMIDAZOLE,071100-55-5,3388700,"4-nitro-1-(2,4,6-trimethylphenyl)sulfonylimidazole",CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C=C(N=C2)[N+](=O)[O-])C,"InChI=1S/C12H13N3O4S/c1-8-4-9(2)12(10(3)5-8)20(18,19)14-6-11(13-7-14)15(16)17/h4-7H,1-3H3",PAKWZTBBQYPFSX-UHFFFAOYSA-N,C12H13N3O4S,295.32,295.0626771,2.5,106,458,0,0,5,2,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2-(4-(DIMETHYLAMINO)STYRYL)-1-METHYLPYRIDINIUM,002156-29-8,5463010,"N,N-dimethyl-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline iodide",C[N+]1=CC=CC=C1/C=C/C2=CC=C(C=C2)N(C)C.[I-],"InChI=1S/C16H19N2.HI/c1-17(2)15-10-7-14(8-11-15)9-12-16-6-4-5-13-18(16)3;/h4-13H,1-3H3;1H/q+1;/p-1",XPOIQAIBZGSIDD-UHFFFAOYSA-M,C16H19IN2,366.24,366.0593,,7.1,264,0,0,2,3,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYLTRIPHENOXYPHOSPHONIUM IODIDE,017579-99-6,2735090,methyl(triphenoxy)phosphanium iodide,C[P+](OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3.[I-],"InChI=1S/C19H18O3P.HI/c1-23(20-17-11-5-2-6-12-17,21-18-13-7-3-8-14-18)22-19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1",VKTOBGBZBCELGC-UHFFFAOYSA-M,C19H18IO3P,452.2,452.00383,,27.7,281,0,0,4,6,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
RUBRENE,000517-51-1,68203,"5,6,11,12-tetraphenyltetracene",C1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=C(C5=CC=CC=C5C(=C24)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8,InChI=1S/C42H28/c1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30/h1-28H,YYMBJDOZVAITBP-UHFFFAOYSA-N,C42H28,532.7,532.2191009,12.2,0,696,0,0,0,4,42,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3,4-PYRIDINEDICARBOXYLIC ANHYDRIDE",004664-08-8,278398,"furo[3,4-c]pyridine-1,3-dione",C1=CN=CC2=C1C(=O)OC2=O,InChI=1S/C7H3NO3/c9-6-4-1-2-8-3-5(4)7(10)11-6/h1-3H,KFKMGUPDWTWQFM-UHFFFAOYSA-N,C7H3NO3,149.1,149.011293,0.2,56.3,214,0,0,4,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
SULFOSUCCINIMIDYL-3-(4-HYDROXYPHENYL)PROPIONATE,034071-95-9,99557,"(2,5-dioxopyrrolidin-1-yl) 3-(4-hydroxyphenyl)propanoate",C1CC(=O)N(C1=O)OC(=O)CCC2=CC=C(C=C2)O,"InChI=1S/C13H13NO5/c15-10-4-1-9(2-5-10)3-8-13(18)19-14-11(16)6-7-12(14)17/h1-2,4-5,15H,3,6-8H2",KYRUKRFVOACELK-UHFFFAOYSA-N,C13H13NO5,263.25,263.0793725,0.8,83.9,357,0,1,5,5,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ETHYLENEDIAMINETETRAACETIC DIANHYDRIDE,023911-25-3,513917,"4-[2-(2,6-dioxomorpholin-4-yl)ethyl]morpholine-2,6-dione",C1C(=O)OC(=O)CN1CCN2CC(=O)OC(=O)C2,InChI=1S/C10H12N2O6/c13-7-3-11(4-8(14)17-7)1-2-12-5-9(15)18-10(16)6-12/h1-6H2,POLIXZIAIMAECK-UHFFFAOYSA-N,C10H12N2O6,256.21,256.0695361,-0.7,93.2,337,0,0,8,3,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
PHENOTHIOXIN,000262-20-4,9217,phenoxathiine,C1=CC=C2C(=C1)OC3=CC=CC=C3S2,InChI=1S/C12H8OS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8H,GJSGGHOYGKMUPT-UHFFFAOYSA-N,C12H8OS,200.26,200.0295861,4.5,34.5,186,0,0,2,0,14,,"592 °F at 745 mmHg (NTP, 1992)",0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4,4'-DITHIODIMORPHOLINE",000103-34-4,7648,4-(morpholin-4-yldisulfanyl)morpholine,C1COCCN1SSN2CCOCC2,InChI=1S/C8H16N2O2S2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H2,HLBZWYXLQJQBKU-UHFFFAOYSA-N,C8H16N2O2S2,236.4,236.0653201,0.6,75.5,143,0,0,6,3,14,121 °C,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,1,0,1
HAFNIUM NITRIDE,025817-87-2,168009944,2-[4-[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-methoxyquinazolin-4-yl]-1-[4-(dimethylamino)but-2-enoyl]piperazin-2-yl]acetonitrile;2-[4-[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-2-methoxyquinazolin-4-yl]-1-(4-piperidin-1-ylbut-2-enoyl)piperazin-2-yl]acetonitrile,CN(C)CC=CC(=O)N1CCN(CC1CC#N)C2=NC(=NC3=C(C(=C(C=C32)Cl)C4=CC(=CC5=CC=CC=C54)O)F)OC.COC1=NC2=C(C(=C(C=C2C(=N1)N3CCN(C(C3)CC#N)C(=O)C=CCN4CCCCC4)Cl)C5=CC(=CC6=CC=CC=C65)O)F,"InChI=1S/C34H34ClFN6O3.C31H30ClFN6O3/c1-45-34-38-32-27(20-28(35)30(31(32)36)26-19-24(43)18-22-8-3-4-9-25(22)26)33(39-34)41-16-17-42(23(21-41)11-12-37)29(44)10-7-15-40-13-5-2-6-14-40;1-37(2)12-6-9-26(41)39-14-13-38(18-20(39)10-11-34)30-24-17-25(32)27(28(33)29(24)35-31(36-30)42-3)23-16-21(40)15-19-7-4-5-8-22(19)23/h3-4,7-10,18-20,23,43H,2,5-6,11,13-17,21H2,1H3;4-9,15-17,20,40H,10,12-14,18H2,1-3H3",UHBNYCJTNLWVPM-UHFFFAOYSA-N,C65H64Cl2F2N12O6,1218.2,1216.44169,,212,2100,0,2,18,14,87,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ISOPROPYLIDENEBISPHENOL,071033-08-4,5362575,2-[[1-butoxy-3-[4-[2-[4-[3-butoxy-2-(oxiran-2-ylmethoxy)propoxy]phenyl]propan-2-yl]phenoxy]propan-2-yl]oxymethyl]oxirane,CCCCOCC(COC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCC(COCCCC)OCC3CO3)OCC4CO4,"InChI=1S/C35H52O8/c1-5-7-17-36-19-31(40-23-33-25-42-33)21-38-29-13-9-27(10-14-29)35(3,4)28-11-15-30(16-12-28)39-22-32(20-37-18-8-6-2)41-24-34-26-43-34/h9-16,31-34H,5-8,17-26H2,1-4H3",OGJYOKDCDJTEGM-UHFFFAOYSA-N,C35H52O8,600.8,600.3662186,6.1,80.4,661,0,0,8,24,43,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"(R)-(-)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YLMETHYL P-TOLUENESULFONATE",023788-74-1,6993835,"[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate",CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2COC(O2)(C)C,"InChI=1S/C13H18O5S/c1-10-4-6-12(7-5-10)19(14,15)17-9-11-8-16-13(2,3)18-11/h4-7,11H,8-9H2,1-3H3/t11-/m1/s1",SRKDUHUULIWXFT-LLVKDONJSA-N,C13H18O5S,286.35,286.0874948,1.8,70.2,390,0,0,5,4,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ALUMINUM 8-HYDROXYQUINOLINATE,002085-33-8,16683111,tri(quinolin-8-yloxy)alumane,C1=CC2=C(C(=C1)O[Al](OC3=CC=CC4=C3N=CC=C4)OC5=CC=CC6=C5N=CC=C6)N=CC=C2,"InChI=1S/3C9H7NO.Al/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h3*1-6,11H;/q;;;+3/p-3",TVIVIEFSHFOWTE-UHFFFAOYSA-K,C27H18AlN3O3,459.4,459.1163549,,66.4,571,0,0,6,6,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
ALDRITHIOL-4,002645-22-9,75846,4-(pyridin-4-yldisulfanyl)pyridine,C1=CN=CC=C1SSC2=CC=NC=C2,InChI=1S/C10H8N2S2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H,UHBAPGWWRFVTFS-UHFFFAOYSA-N,C10H8N2S2,220.3,220.0128906,1.9,76.4,136,0,0,4,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
IMIDAZOLIDINETRIONE,000120-89-8,67126,"imidazolidine-2,4,5-trione",C1(=O)C(=O)NC(=O)N1,"InChI=1S/C3H2N2O3/c6-1-2(7)5-3(8)4-1/h(H2,4,5,6,7,8)",ZFLIKDUSUDBGCD-UHFFFAOYSA-N,C3H2N2O3,114.06,114.0065419,-0.9,75.3,155,0,2,3,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
TETRAHYDROTHIOPHENE 1-OXIDE,001600-44-8,1128,thiolane 1-oxide,C1CCS(=O)C1,InChI=1S/C4H8OS/c5-6-3-1-2-4-6/h1-4H2,ISXOBTBCNRIIQO-UHFFFAOYSA-N,C4H8OS,104.17,104.0295861,-0.3,36.3,61,0,0,2,0,6,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
2(1H)-QUINOLINETHIONE,002637-37-8,1800393,1H-quinoline-2-thione,C1=CC=C2C(=C1)C=CC(=S)N2,"InChI=1S/C9H7NS/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)",KXZSVYHFYHTNBI-UHFFFAOYSA-N,C9H7NS,161.23,161.0299204,1.9,44.1,198,0,1,1,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4,6-TRIS(2-PYRIDINYL)-S-TRIAZINE",003682-35-7,77258,"2,4,6-tripyridin-2-yl-1,3,5-triazine",C1=CC=NC(=C1)C2=NC(=NC(=N2)C3=CC=CC=N3)C4=CC=CC=N4,InChI=1S/C18H12N6/c1-4-10-19-13(7-1)16-22-17(14-8-2-5-11-20-14)24-18(23-16)15-9-3-6-12-21-15/h1-12H,KMVWNDHKTPHDMT-UHFFFAOYSA-N,C18H12N6,312.3,312.1123444,2.1,77.3,323,0,0,6,3,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4,10-TRIOXA-7,13-DIAZA-CYCLOPENTADECANE",031249-95-3,123435,"1,4,10-trioxa-7,13-diazacyclopentadecane",C1COCCNCCOCCOCCN1,"InChI=1S/C10H22N2O3/c1-5-13-6-2-12-4-8-15-10-9-14-7-3-11-1/h11-12H,1-10H2",STHIZMRUXPMSCW-UHFFFAOYSA-N,C10H22N2O3,218.29,218.1630426,-1.3,51.8,122,0,2,5,0,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DI(2-PYRIDYL) KETONE,019437-26-4,88065,dipyridin-2-ylmethanone,C1=CC=NC(=C1)C(=O)C2=CC=CC=N2,InChI=1S/C11H8N2O/c14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10/h1-8H,QPOWUYJWCJRLEE-UHFFFAOYSA-N,C11H8N2O,184.19,184.0636629,1.8,42.9,185,0,0,3,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYROPHOSPHATASE, INORGANIC",009024-82-2,168266391,"1-[4-[2-(4-acetylphenyl)acetyl]-3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-en-1-one;tert-butyl 4-[2-[5-[3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-4-yl]-2-oxoethyl]benzoate",CC1=C2C(N(CCC2=NN1)C(=O)C=CC3=C(C=CC(=C3F)Cl)N4C=NN=N4)C(=O)CC5=CC=C(C=C5)C(=O)C.CC1=C2C(N(CCC2=NN1)C(=O)C=CC3=C(C=CC(=C3F)Cl)N4C=NN=N4)C(=O)CC5=CC=C(C=C5)C(=O)OC(C)(C)C,"InChI=1S/C30H29ClFN7O4.C27H23ClFN7O3/c1-17-26-22(35-34-17)13-14-38(25(41)12-9-20-23(39-16-33-36-37-39)11-10-21(31)27(20)32)28(26)24(40)15-18-5-7-19(8-6-18)29(42)43-30(2,3)4;1-15-25-21(32-31-15)11-12-35(27(25)23(38)13-17-3-5-18(6-4-17)16(2)37)24(39)10-7-19-22(36-14-30-33-34-36)9-8-20(28)26(19)29/h5-12,16,28H,13-15H2,1-4H3,(H,34,35);3-10,14,27H,11-13H2,1-2H3,(H,31,32)",TUGFVLCKLUCRKF-UHFFFAOYSA-N,C57H52Cl2F2N14O7,1154,1152.348852,,263,2000,0,2,17,16,82,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,2'-BIS(DIPHENYLPHOSPHINO)-1,1'-BIPHENYL",084783-64-2,2734940,[2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane,C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C4=CC=CC=C4P(C5=CC=CC=C5)C6=CC=CC=C6,InChI=1S/C36H28P2/c1-5-17-29(18-6-1)37(30-19-7-2-8-20-30)35-27-15-13-25-33(35)34-26-14-16-28-36(34)38(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28H,GRTJBNJOHNTQBO-UHFFFAOYSA-N,C36H28P2,522.6,522.1666249,8.9,0,573,0,0,0,7,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZYL 6-OXO-2,3-DIPHENYL-4-MORPHOLINECARBOXYLATE",335159-14-3,3902786,"benzyl 6-oxo-2,3-diphenylmorpholine-4-carboxylate",C1C(=O)OC(C(N1C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C24H21NO4/c26-21-16-25(24(27)28-17-18-10-4-1-5-11-18)22(19-12-6-2-7-13-19)23(29-21)20-14-8-3-9-15-20/h1-15,22-23H,16-17H2",HECRUWTZAMPQOS-UHFFFAOYSA-N,C24H21NO4,387.4,387.1470582,4.4,55.8,547,0,0,4,5,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
METHYLENEBIS(DIPHENYLPHOSPHINE),002071-20-7,74952,diphenylphosphanylmethyl(diphenyl)phosphane,C1=CC=C(C=C1)P(CP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C25H22P2/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2",XGCDBGRZEKYHNV-UHFFFAOYSA-N,C25H22P2,384.4,384.1196747,6,0,325,0,0,0,6,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-AMINO-7,9-DIHYDRO-1H-PURINE-6,8-DIONE",005614-64-2,135420630,"2-amino-7,9-dihydro-1H-purine-6,8-dione",C12=C(NC(=O)N1)N=C(NC2=O)N,"InChI=1S/C5H5N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)",CLGFIVUFZRGQRP-UHFFFAOYSA-N,C5H5N5O2,167.13,167.0443244,-2.2,109,342,0,4,3,0,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(3R,3AS,6AR)-HEXAHYDROFURO(2,3-B)FURAN-3-YL N-((1S,2R)-1-BENZYL-2-HYDROXY-3-(N1-ISOBUTYLSULFANILAMIDO)PROPYL)CARBAMATE",206361-99-1,213039,"[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate",CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N,"InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1",CJBJHOAVZSMMDJ-HEXNFIEUSA-N,C27H37N3O7S,547.7,547.2352217,2.9,149,853,0,3,9,12,38,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,1
"1,8-DIAZABICYCLO[5.4.0]UNDEC-7-ENE, COMPOUND WITH P-TOLUENESULFONIC ACID (1:1)",051376-18-2,16213214,"4-methylbenzenesulfonic acid;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine",CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC2=NCCCN2CC1,"InChI=1S/C9H16N2.C7H8O3S/c1-2-5-9-10-6-4-8-11(9)7-3-1;1-6-2-4-7(5-3-6)11(8,9)10/h1-8H2;2-5H,1H3,(H,8,9,10)",VAIAHWBLSPENDF-UHFFFAOYSA-N,C16H24N2O3S,324.4,324.1507638,,78.4,369,0,1,4,1,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-BIS(2,4,6-TRIMETHYLPHENYL)IMIDAZOLINIUM CHLORIDE",173035-10-4,2734917,"1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium chloride",CC1=CC(=C(C(=C1)C)N2CC[N+](=C2)C3=C(C=C(C=C3C)C)C)C.[Cl-],"InChI=1S/C21H27N2.ClH/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;/h9-13H,7-8H2,1-6H3;1H/q+1;/p-1",COGMCBFILULEOS-UHFFFAOYSA-M,C21H27ClN2,342.9,342.1862766,,6.3,379,0,0,1,2,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
(25R)-SPIROST-5-EN-3BETA-OL,000512-04-9,99474,"(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol",C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1,"InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",WQLVFSAGQJTQCK-VKROHFNGSA-N,C27H42O3,414.6,414.3133952,5.7,38.7,746,0,1,3,0,30,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenesulfonamide, 2-chloro-5-(1-hydroxy-3-oxo-1-isoindolinyl)-",000077-36-1,2732,2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide,C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O,"InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)",JIVPVXMEBJLZRO-UHFFFAOYSA-N,C14H11ClN2O4S,338.8,338.0128057,0.9,118,564,0,3,5,2,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-PYRIDINECARBOXYLIC ACID, PHENYLMETHYL ESTER",000094-44-0,7191,benzyl pyridine-3-carboxylate,C1=CC=C(C=C1)COC(=O)C2=CN=CC=C2,"InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2",KVYGGMBOZFWZBQ-UHFFFAOYSA-N,C13H11NO2,213.23,213.0789786,2.4,39.2,224,0,0,3,4,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"ANTHRA[1,9-CD]PYRAZOL-6(2H)-ONE",000129-56-6,8515,"14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one",C1=CC=C2C(=C1)C3=NNC4=CC=CC(=C43)C2=O,"InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)",ACPOUJIDANTYHO-UHFFFAOYSA-N,C14H8N2O,220.23,220.0636629,2.7,45.8,343,0,1,2,0,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-CYCLOHEXEN-1-ONE, 3-METHYL-6-(1-METHYLETHYLIDENE)-",000491-09-8,381152,3-methyl-6-propan-2-ylidenecyclohex-2-en-1-one,CC1=CC(=O)C(=C(C)C)CC1,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3",HKZQJZIFODOLFR-UHFFFAOYSA-N,C10H14O,150.22,150.1044651,2.2,17.1,240,0,0,1,0,11,,106.00 to 107.00 °C. @ 10.00 mm Hg,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"9-CYCLOHEPTADECEN-1-ONE, (Z)-",000542-46-1,5315941,(9Z)-cycloheptadec-9-en-1-one,C1CCC/C=C\CCCCCCCC(=O)CCC1,"InChI=1S/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-2H,3-16H2/b2-1-",ZKVZSBSZTMPBQR-UPHRSURJSA-N,C17H30O,250.4,250.2296656,6.1,17.1,208,0,0,1,0,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"FURO[3,4-B]PYRIDINE-5,7-DIONE",000699-98-9,69688,"furo[3,4-b]pyridine-5,7-dione",C1=CC2=C(C(=O)OC2=O)N=C1,InChI=1S/C7H3NO3/c9-6-4-2-1-3-8-5(4)7(10)11-6/h1-3H,MCQOWYALZVKMAR-UHFFFAOYSA-N,C7H3NO3,149.1,149.011293,0.6,56.3,214,0,0,4,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENEMETHANAMINE, N-(PHENYLMETHYLENE)-",000780-25-6,95831,N-benzyl-1-phenylmethanimine,C1=CC=C(C=C1)CN=CC2=CC=CC=C2,"InChI=1S/C14H13N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-11H,12H2",MIYKHJXFICMPOJ-UHFFFAOYSA-N,C14H13N,195.26,195.1047994,3.2,12.4,186,0,0,1,3,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZENESULFONIC ACID, 4-METHYL-, CYCLOHEXYL ESTER",000953-91-3,13722,cyclohexyl 4-methylbenzenesulfonate,CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2,"InChI=1S/C13H18O3S/c1-11-7-9-13(10-8-11)17(14,15)16-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3",OHHPZPDQZMUTCA-UHFFFAOYSA-N,C13H18O3S,254.35,254.0976656,3.4,51.8,317,0,0,3,3,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"FURAN, 2,5-DIPHENYL-",000955-83-9,70387,"2,5-diphenylfuran",C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=CC=C3,InChI=1S/C16H12O/c1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14/h1-12H,VUPDHIIPAKIKAB-UHFFFAOYSA-N,C16H12O,220.26,220.088815,4.3,13.1,202,0,0,1,2,17,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANETHIONE, BIS[4-(DIMETHYLAMINO)PHENYL]-",001226-46-6,71045,bis[4-(dimethylamino)phenyl]methanethione,CN(C)C1=CC=C(C=C1)C(=S)C2=CC=C(C=C2)N(C)C,"InChI=1S/C17H20N2S/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3",KFUJUTFTRXYQMG-UHFFFAOYSA-N,C17H20N2S,284.4,284.1347198,4.5,38.6,281,0,0,3,4,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
OXACYCLODODECAN-2-ONE,001725-03-7,74409,oxacyclododecan-2-one,C1CCCCCOC(=O)CCCC1,InChI=1S/C11H20O2/c12-11-9-7-5-3-1-2-4-6-8-10-13-11/h1-10H2,MVOSYKNQRRHGKX-UHFFFAOYSA-N,C11H20O2,184.27,184.1463299,3.6,26.3,143,0,0,2,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"DISILOXANE, HEXAPHENYL-",001829-40-9,74587,triphenyl(triphenylsilyloxy)silane,C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6,"InChI=1S/C36H30OSi2/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H",IVZTVZJLMIHPEY-UHFFFAOYSA-N,C36H30OSi2,534.8,534.1835187,,9.2,550,0,0,1,8,39,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-DIOXOLAN-2-ONE, 4,4-DIMETHYL-5-METHYLENE-",004437-80-3,78175,"4,4-dimethyl-5-methylidene-1,3-dioxolan-2-one",CC1(C(=C)OC(=O)O1)C,"InChI=1S/C6H8O3/c1-4-6(2,3)9-5(7)8-4/h1H2,2-3H3",WUGCPRNXGBZRMC-UHFFFAOYSA-N,C6H8O3,128.13,128.0473441,1.2,35.5,169,0,0,3,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2(3H)-NAPHTHALENONE, 4,4A,5,6,7,8-HEXAHYDRO-4,4A-DIMETHYL-6-(1-METHYLETHENYL)-",004674-50-4,1268142,"(4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one",C[C@@H]1CC(=O)C=C2[C@]1(C[C@@H](CC2)C(=C)C)C,"InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3/t11-,12-,15+/m1/s1",WTOYNNBCKUYIKC-JMSVASOKSA-N,C15H22O,218.33,218.1670653,3.9,17.1,364,0,0,1,1,16,100 °C (212 °F) - closed cup,BP: 125 °C at 0.5 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"MORPHOLINE, 4-METHYLBENZENESULFONATE",013732-62-2,83691,4-methylbenzenesulfonic acid;morpholine,CC1=CC=C(C=C1)S(=O)(=O)O.C1COCCN1,"InChI=1S/C7H8O3S.C4H9NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-3-6-4-2-5-1/h2-5H,1H3,(H,8,9,10);5H,1-4H2",LYWVNPSVLAFTFX-UHFFFAOYSA-N,C11H17NO4S,259.32,259.0878292,,84,241,0,2,5,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"PYRAZINE, TETRA-2-PYRIDINYL-",025005-97-4,3034360,"2,3,5,6-tetrapyridin-2-ylpyrazine",C1=CC=NC(=C1)C2=C(N=C(C(=N2)C3=CC=CC=N3)C4=CC=CC=N4)C5=CC=CC=N5,InChI=1S/C24H16N6/c1-5-13-25-17(9-1)21-22(18-10-2-6-14-26-18)30-24(20-12-4-8-16-28-20)23(29-21)19-11-3-7-15-27-19/h1-16H,UOJZYBFRNITHCX-UHFFFAOYSA-N,C24H16N6,388.4,388.1436445,2.3,77.3,440,0,0,6,4,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZO[A]PHENAZINIUM, 7-PHENYLSULFO-5-[(4-SULFOPHENYL)AMINO]-, INNERSALT, MONOS",025641-18-3,16046101,sodium 7-phenyl-5-(4-sulfonatoanilino)benzo[a]phenazin-7-ium-3-sulfonate,C1=CC=C(C=C1)[N+]2=C3C=C(C4=C(C3=NC5=CC=CC=C52)C=CC(=C4)S(=O)(=O)[O-])NC6=CC=C(C=C6)S(=O)(=O)[O-].[Na+],"InChI=1S/C28H19N3O6S2.Na/c32-38(33,34)20-12-10-18(11-13-20)29-25-17-27-28(22-15-14-21(16-23(22)25)39(35,36)37)30-24-8-4-5-9-26(24)31(27)19-6-2-1-3-7-19;/h1-17H,(H2,32,33,34,35,36,37);/q;+1/p-1",LUERODMRBLNCFK-UHFFFAOYSA-M,C28H18N3NaO6S2,579.6,579.0534719,,160,1040,0,1,8,3,40,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-THIAZOLIDINEACETIC ACID, 5-[(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)ETHYLIDENE]-4",025962-03-2,117682,"2-[5-[2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid",CCN1C2=CC=CC=C2SC1=CC=C3C(=O)N(C(=S)S3)CC(=O)O,"InChI=1S/C16H14N2O3S3/c1-2-17-10-5-3-4-6-11(10)23-13(17)8-7-12-15(21)18(9-14(19)20)16(22)24-12/h3-8H,2,9H2,1H3,(H,19,20)",NVXMOCINNAPHSD-UHFFFAOYSA-N,C16H14N2O3S3,378.5,378.0166558,3.8,144,632,0,1,7,4,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"BENZAMIDE, 3-[[[2,4-BIS(1,1-DIMETHYLPROPYL)PHENOXY]ACETYL]AMINO]-N-[4,5-DIHYDR",031188-91-7,160194,"3-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide",CCC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)NC3=NN(C(=O)C3)C4=C(C=C(C=C4Cl)Cl)Cl)C(C)(C)CC,"InChI=1S/C34H37Cl3N4O4/c1-7-33(3,4)21-12-13-27(24(15-21)34(5,6)8-2)45-19-29(42)38-23-11-9-10-20(14-23)32(44)39-28-18-30(43)41(40-28)31-25(36)16-22(35)17-26(31)37/h9-17H,7-8,18-19H2,1-6H3,(H,38,42)(H,39,40,44)",QDIMMGOJTIUSOA-UHFFFAOYSA-N,C34H37Cl3N4O4,672,670.188039,9.4,100,1090,0,2,5,11,45,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"BENZOXAZOLIUM, 5-PHENYL-2-[2-[[5-PHENYL-3-(3-SULFOPROPYL)-2(3H)-BENZOXAZOLYLID",033628-03-4,118514,"sodium 3-[5-phenyl-2-[2-[[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonate",CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)[O-])C=C4N(C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CCCS(=O)(=O)[O-].[Na+],"InChI=1S/C37H36N2O8S2.Na/c1-2-27(23-36-38(19-9-21-48(40,41)42)32-25-30(15-17-34(32)46-36)28-11-5-3-6-12-28)24-37-39(20-10-22-49(43,44)45)33-26-31(16-18-35(33)47-37)29-13-7-4-8-14-29;/h3-8,11-18,23-26H,2,9-10,19-22H2,1H3,(H-,40,41,42,43,44,45);/q;+1/p-1",MDBAEQGNAMHPTI-UHFFFAOYSA-M,C37H35N2NaO8S2,722.8,722.1732527,,161,1230,0,0,9,11,50,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"ETHANOL, 2-(ETHYLPHENYLAMINO)-, PHENYLCARBAMATE (ESTER)",033898-93-0,118570,2-(N-ethylanilino)ethyl N-phenylcarbamate,CCN(CCOC(=O)NC1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C17H20N2O2/c1-2-19(16-11-7-4-8-12-16)13-14-21-17(20)18-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3,(H,18,20)",HCTKHJQOFVNFCC-UHFFFAOYSA-N,C17H20N2O2,284.35,284.1524779,3.4,41.6,297,0,1,3,7,21,,,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"3-THIAZOLIDINEACETIC ACID, 5-(3-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)-4-OXO-2-THIO",041504-19-2,3037175,"2-[(5E)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid",CN\1C2=CC=CC=C2S/C1=C/3\C(=O)N(C(=S)S3)CC(=O)O,"InChI=1S/C13H10N2O3S3/c1-14-7-4-2-3-5-8(7)20-12(14)10-11(18)15(6-9(16)17)13(19)21-10/h2-5H,6H2,1H3,(H,16,17)/b12-10+",RPTCCZCUFYQVQQ-ZRDIBKRKSA-N,C13H10N2O3S3,338.4,337.9853557,2.8,144,549,0,1,7,2,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-BENZIMIDAZOLE, 5-NITRO-, SODIUM SALT",051349-86-1,171024,sodium 5-nitrobenzimidazol-1-ide,C1=CC2=C(C=C1[N+](=O)[O-])N=C[N-]2.[Na+],InChI=1S/C7H4N3O2.Na/c11-10(12)5-1-2-6-7(3-5)9-4-8-6;/h1-4H;/q-1;+1,QDTXMHPOJKYAJZ-UHFFFAOYSA-N,C7H4N3NaO2,185.12,185.0201207,,59.7,192,0,0,4,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PHOSPHORIC ACID, MONO(4-NITROPHENYL) ESTER, COMPD. WITH CYCLOHEXANAMINE (1:2)",052483-84-8,104209,bis(cyclohexanamine);(4-nitrophenyl) dihydrogen phosphate,C1CCC(CC1)N.C1CCC(CC1)N.C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)O,"InChI=1S/C6H6NO6P.2C6H13N/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;2*7-6-4-2-1-3-5-6/h1-4H,(H2,10,11,12);2*6H,1-5,7H2",KXNNUYCXODNFBD-UHFFFAOYSA-N,C18H32N3O6P,417.4,417.2028728,,165,296,0,4,8,2,28,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"PYRAZINE, 2-[(2-FURANYLMETHYL)THIO]-3-METHYL-",059303-07-0,101003,2-(furan-2-ylmethylsulfanyl)-3-methylpyrazine,CC1=NC=CN=C1SCC2=CC=CO2,"InChI=1S/C10H10N2OS/c1-8-10(12-5-4-11-8)14-7-9-3-2-6-13-9/h2-6H,7H2,1H3",PFRSWMCUERVSAT-UHFFFAOYSA-N,C10H10N2OS,206.27,206.0513841,1.6,64.2,180,0,0,4,3,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-PROLINE, 5-OXO-, 5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL ESTER, [1R-(1.ALPHA.,2",064519-44-4,115834,"[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-5-oxopyrrolidine-2-carboxylate",C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]2CCC(=O)N2)C(C)C,"InChI=1S/C15H25NO3/c1-9(2)11-5-4-10(3)8-13(11)19-15(18)12-6-7-14(17)16-12/h9-13H,4-8H2,1-3H3,(H,16,17)/t10-,11+,12+,13-/m1/s1",SLHPMAOXNSLXEH-MROQNXINSA-N,C15H25NO3,267.36,267.1834437,3,55.4,353,0,1,3,4,19,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"PYRIDINE, 4-(3-CYCLOHEXEN-1-YL)-",070644-46-1,112215,4-cyclohex-3-en-1-ylpyridine,C1CC(CC=C1)C2=CC=NC=C2,"InChI=1S/C11H13N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-2,6-10H,3-5H2",USWHHVUCKNMIRS-UHFFFAOYSA-N,C11H13N,159.23,159.1047994,2.6,12.9,156,0,0,1,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"METHANONE, BIS[4-[2-(1-PROPENYL)PHENOXY]PHENYL]-",109423-33-8,3458330,bis[4-(2-prop-1-enylphenoxy)phenyl]methanone,CC=CC1=CC=CC=C1OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4C=CC,"InChI=1S/C31H26O3/c1-3-9-23-11-5-7-13-29(23)33-27-19-15-25(16-20-27)31(32)26-17-21-28(22-18-26)34-30-14-8-6-12-24(30)10-4-2/h3-22H,1-2H3",JRZSSQRNBKDVDD-UHFFFAOYSA-N,C31H26O3,446.5,446.1881947,8.3,35.5,610,0,0,3,8,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenepropanoic acid, 4-(2-hydroxy-3-((2-((4-morpholinylcarbonyl)amino)ethyl)",144481-98-1,164457,"[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 3-[4-[(2S)-2-hydroxy-3-[2-(morpholine-4-carbonylamino)ethylamino]propoxy]phenyl]propanoate;hydrochloride",CC1(OC[C@H](O1)COC(=O)CCC2=CC=C(C=C2)OC[C@H](CNCCNC(=O)N3CCOCC3)O)C.Cl,"InChI=1S/C25H39N3O8.ClH/c1-25(2)35-18-22(36-25)17-34-23(30)8-5-19-3-6-21(7-4-19)33-16-20(29)15-26-9-10-27-24(31)28-11-13-32-14-12-28;/h3-4,6-7,20,22,26,29H,5,8-18H2,1-2H3,(H,27,31);1H/t20-,22+;/m0./s1",DLPGJHSONYLBKP-IKGOIYPNSA-N,C25H40ClN3O8,546.1,545.2503929,,128,666,0,4,9,14,37,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
N-1-PYRENYL MALEIMIDE,042189-56-0,626783,"1-pyren-1-ylpyrrole-2,5-dione",C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)N5C(=O)C=CC5=O,InChI=1S/C20H11NO2/c22-17-10-11-18(23)21(17)16-9-7-14-5-4-12-2-1-3-13-6-8-15(16)20(14)19(12)13/h1-11H,YXKWRQLPBHVBRP-UHFFFAOYSA-N,C20H11NO2,297.3,297.0789786,4.1,37.4,550,0,0,2,1,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
POLYPHENYL ETHER [BIS(M-(M-PHENOXYPHENOXY)PHENYL)ETHER],003705-62-2,77296,1-phenoxy-3-[3-[3-(3-phenoxyphenoxy)phenoxy]phenoxy]benzene,C1=CC=C(C=C1)OC2=CC(=CC=C2)OC3=CC(=CC=C3)OC4=CC=CC(=C4)OC5=CC=CC(=C5)OC6=CC=CC=C6,InChI=1S/C36H26O5/c1-3-11-27(12-4-1)37-29-15-7-17-31(23-29)39-33-19-9-21-35(25-33)41-36-22-10-20-34(26-36)40-32-18-8-16-30(24-32)38-28-13-5-2-6-14-28/h1-26H,RRVQXJQJDRLGGO-UHFFFAOYSA-N,C36H26O5,538.6,538.1780239,9.6,46.2,673,0,0,5,10,41,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
DI(TCD-METHYLOL)-ADIPAT,195371-10-9,159291837,"bis(8-tricyclo[5.2.1.02,6]decanylmethyl) hexanedioate",C1CC2C(C1)C3CC2CC3COC(=O)CCCCC(=O)OCC4CC5CC4C6C5CCC6,"InChI=1S/C28H42O4/c29-27(31-15-19-11-17-13-25(19)23-7-3-5-21(17)23)9-1-2-10-28(30)32-16-20-12-18-14-26(20)24-8-4-6-22(18)24/h17-26H,1-16H2",LAFMCYQWFGCWJH-UHFFFAOYSA-N,C28H42O4,442.6,442.3083098,6.8,52.6,658,0,0,4,11,32,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"3,4-Ethylenedioxypyrrole",169616-17-5,16217852,"3,6-dihydro-2H-[1,4]dioxino[2,3-c]pyrrole",C1COC2=CNC=C2O1,"InChI=1S/C6H7NO2/c1-2-9-6-4-7-3-5(6)8-1/h3-4,7H,1-2H2",IJAMAMPVPZBIQX-UHFFFAOYSA-N,C6H7NO2,125.13,125.0476785,0.4,34.3,95,0,1,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Hydroxy-3-{3-[2,4,6,8-tetramethyl-4,6,8-tris(propyl glycidyl ether)-2-cyclotetrasiloxanyl]propoxy}propyl methacrylate",948598-97-8,58963299,"[2-hydroxy-3-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-(oxiran-2-ylmethoxy)propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]propyl] 2-methylprop-2-enoate",CC(=C)C(=O)OCC(COCCC[Si]1(O[Si](O[Si](O[Si](O1)(C)CCCOCC2CO2)(C)CCCOCC3CO3)(C)CCCOCC4CO4)C)O,"InChI=1S/C32H62O14Si4/c1-27(2)32(34)42-20-28(33)19-35-11-7-15-47(3)43-48(4,16-8-12-36-21-29-24-39-29)45-50(6,18-10-14-38-23-31-26-41-31)46-49(5,44-47)17-9-13-37-22-30-25-40-30/h28-31,33H,1,7-26H2,2-6H3",MDIPNFHXQNLQFC-UHFFFAOYSA-N,C32H62O14Si4,783.2,782.3216628,,158,1020,0,1,14,28,50,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
DISUCCINIMIDYL GLUTARATE,,4432628,"bis(2,5-dioxopyrrolidin-1-yl) pentanedioate",C1CC(=O)N(C1=O)OC(=O)CCCC(=O)ON2C(=O)CCC2=O,InChI=1S/C13H14N2O8/c16-8-4-5-9(17)14(8)22-12(20)2-1-3-13(21)23-15-10(18)6-7-11(15)19/h1-7H2,LNQHREYHFRFJAU-UHFFFAOYSA-N,C13H14N2O8,326.26,326.0750154,-1.5,127,503,0,0,8,8,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
EPOXY RESIN,,169944,2-(chloromethyl)oxirane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;prop-2-enoic acid,CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O.C=CC(=O)O.C1C(O1)CCl,"InChI=1S/C15H16O2.C3H5ClO.C3H4O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;4-1-3-2-5-3;1-2-3(4)5/h3-10,16-17H,1-2H3;3H,1-2H2;2H,1H2,(H,4,5)",RYSXGWPNVZQNNB-UHFFFAOYSA-N,C21H25ClO5,392.9,392.1390516,,90.3,303,0,3,5,4,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"CARBONOTRITHIOIC ACID, BIS(PHENYLMETHYL) ESTER",026504-29-0,233929,bis(benzylsulfanyl)methanethione,C1=CC=C(C=C1)CSC(=S)SCC2=CC=CC=C2,"InChI=1S/C15H14S3/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2",LAKYXBYUROTWBI-UHFFFAOYSA-N,C15H14S3,290.5,290.025764,5.2,82.7,216,0,0,3,6,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"DIPHENYL(2,4,6-TRIMETHYLBENZOYL)PHOSPHINE OXIDE",075980-60-8,166480,"diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone",CC1=CC(=C(C(=C1)C)C(=O)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C,"InChI=1S/C22H21O2P/c1-16-14-17(2)21(18(3)15-16)22(23)25(24,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3",VFHVQBAGLAREND-UHFFFAOYSA-N,C22H21O2P,348.4,348.1279169,5,34.1,468,0,0,2,4,25,,Greater than 300 degrees C,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0
"CHROMATE(3-), BIS[4-[(4,5-DIHYDRO-3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4-YL)AZO]",061916-41-4,162953,trisodium;chromium(3+);bis(4-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-3-oxidonaphthalene-1-sulfonate),CC1=NN(C(=C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])[O-])[O-])C4=CC=CC=C4.CC1=NN(C(=C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])[O-])[O-])C4=CC=CC=C4.[Na+].[Na+].[Na+].[Cr+3],"InChI=1S/2C20H16N4O5S.Cr.3Na/c2*1-12-18(20(26)24(23-12)13-7-3-2-4-8-13)21-22-19-15-10-6-5-9-14(15)17(11-16(19)25)30(27,28)29;;;;/h2*2-11,25-26H,1H3,(H,27,28,29);;;;/q;;+3;3*+1/p-6",OTFBCUKLFXRMQQ-UHFFFAOYSA-H,C40H26CrN8Na3O10S2,963.8,963.031144,,308,710,0,0,16,6,64,,,1,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0
"1,5-NAPHTHALENEDISULFONIC ACID, 2-[[6-[(4,6-DICHLORO-1,3,5-TRIAZIN-2-YL)METHYL",070616-90-9,93407,"trisodium;2-[[6-[(4,6-dichloro-1,3,5-triazin-2-yl)-methylamino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]naphthalene-1,5-disulfonate",CN(C1=CC2=CC(=C(C(=C2C=C1)O)N=NC3=C(C4=C(C=C3)C(=CC=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C5=NC(=NC(=N5)Cl)Cl.[Na+].[Na+].[Na+],"InChI=1S/C24H16Cl2N6O10S3.3Na/c1-32(24-28-22(25)27-23(26)29-24)12-5-6-13-11(9-12)10-18(44(37,38)39)19(20(13)33)31-30-16-8-7-14-15(21(16)45(40,41)42)3-2-4-17(14)43(34,35)36;;;/h2-10,33H,1H3,(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3",ARXWHYHTMGGNST-UHFFFAOYSA-K,C24H13Cl2N6Na3O10S3,781.5,779.8925424,,284,1380,0,1,16,4,48,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,1,0,0
TETRATHIAFULVALENE,031366-25-3,99451,"2-(1,3-dithiol-2-ylidene)-1,3-dithiole",C1=CSC(=C2SC=CS2)S1,InChI=1S/C6H4S4/c1-2-8-5(7-1)6-9-3-4-10-6/h1-4H,FHCPAXDKURNIOZ-UHFFFAOYSA-N,C6H4S4,204.4,203.9195848,2.5,101,182,0,0,4,0,10,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
GIBBERELLIN A4 PLANT CELL CULTURE TESTED,000468-44-0,92109,"(1R,2R,5R,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid",C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O,"InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1",RSQSQJNRHICNNH-NFMPGMCNSA-N,C19H24O5,332.4,332.1623739,1.7,83.8,685,0,2,5,1,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"PHENYLBIS(2,4,6-TRIMETHYLBENZOYL)PHOSPHINE OXIDE",162881-26-7,164512,"[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone",CC1=CC(=C(C(=C1)C)C(=O)P(=O)(C2=CC=CC=C2)C(=O)C3=C(C=C(C=C3C)C)C)C,"InChI=1S/C26H27O3P/c1-16-12-18(3)23(19(4)13-16)25(27)30(29,22-10-8-7-9-11-22)26(28)24-20(5)14-17(2)15-21(24)6/h7-15H,1-6H3",GUCYFKSBFREPBC-UHFFFAOYSA-N,C26H27O3P,418.5,418.1697817,6,51.2,610,0,0,3,5,30,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,4-BIS-[4-(3-ACRYLOYLOXYPROPYLOXY)BENZOYLOXY]-2-METHYLBENZENE",174063-87-7,20807398,[3-methyl-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate,CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)OCCCOC(=O)C=C)OC(=O)C3=CC=C(C=C3)OCCCOC(=O)C=C,"InChI=1S/C33H32O10/c1-4-30(34)40-20-6-18-38-26-12-8-24(9-13-26)32(36)42-28-16-17-29(23(3)22-28)43-33(37)25-10-14-27(15-11-25)39-19-7-21-41-31(35)5-2/h4-5,8-17,22H,1-2,6-7,18-21H2,3H3",ISSYGWIDLYOJEN-UHFFFAOYSA-N,C33H32O10,588.6,588.1995472,6.7,124,917,0,0,10,20,43,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"(1R,2S,5S)-6,6-DIMETHYL-3-AZA-BICYCLO[3.1.0]HEXANE-2-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE",565456-77-1,11229498,"methyl (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride",CC1([C@@H]2[C@H]1[C@H](NC2)C(=O)OC)C.Cl,"InChI=1S/C9H15NO2.ClH/c1-9(2)5-4-10-7(6(5)9)8(11)12-3;/h5-7,10H,4H2,1-3H3;1H/t5-,6-,7-;/m0./s1",FKVUDBWXNAFSPB-MKXDVQRUSA-N,C9H16ClNO2,205.68,205.0869564,,38.3,225,0,2,3,2,13,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,1,1,0
D-GALACTO-D-MANNAN,011078-30-1,439336,"(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5S,6R)-4,5,6-trihydroxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol",C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)O)O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O,"InChI=1S/C18H32O16/c19-1-4-7(21)9(23)13(27)17(32-4)30-3-6-15(11(25)12(26)16(29)31-6)34-18-14(28)10(24)8(22)5(2-20)33-18/h4-29H,1-3H2/t4-,5-,6-,7+,8-,9+,10+,11-,12+,13-,14+,15-,16-,17+,18+/m1/s1",OMDQUFIYNPYJFM-XKDAHURESA-N,C18H32O16,504.4,504.1690349,-6.3,269,641,0,11,16,7,34,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-Benzimidazolecarbamic acid, 5-(cyclopropylcarbonyl)-, methyl ester",031431-43-3,35803,methyl N-[6-(cyclopropanecarbonyl)-1H-benzimidazol-2-yl]carbamate,COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3CC3,"InChI=1S/C13H13N3O3/c1-19-13(18)16-12-14-9-5-4-8(6-10(9)15-12)11(17)7-2-3-7/h4-7H,2-3H2,1H3,(H2,14,15,16,18)",OXLKOMYHDYVIDM-UHFFFAOYSA-N,C13H13N3O3,259.26,259.0956913,1.6,84.1,383,0,2,4,4,19,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"7-OXABICYCLO[4.1.0]HEPTAN-2-ONE, 1-METHYL-4-(1-METHYLETHENYL)-",033204-74-9,100031,1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-one,CC(=C)C1CC2C(O2)(C(=O)C1)C,"InChI=1S/C10H14O2/c1-6(2)7-4-8(11)10(3)9(5-7)12-10/h7,9H,1,4-5H2,2-3H3",YGMNGQDLUQECTO-UHFFFAOYSA-N,C10H14O2,166.22,166.0993797,1.6,29.6,257,0,0,2,1,12,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BICYCLO[2.2.2]OCT-5-ENE-2-CARBOXALDEHYDE, 5(OR 6)-METHYL-7(OR 8)-(1-METHYLETHY",068259-31-4,109261,5-methyl-7-propan-2-ylbicyclo[2.2.2]oct-4-ene-2-carbaldehyde,CC1=C2CC(C(C1)C(C2)C(C)C)C=O,"InChI=1S/C13H20O/c1-8(2)12-6-10-5-11(7-14)13(12)4-9(10)3/h7-8,11-13H,4-6H2,1-3H3",BNAYNPKNDLTBTJ-UHFFFAOYSA-N,C13H20O,192.3,192.1514153,2.2,17.1,275,0,0,1,2,14,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-ANTHRACENESULFONIC ACID, 1-AMINO-4-[[4-[[[(2,3-DICHLORO-6-QUINOXALINYL)CARBO",072894-31-6,163366,"disodium;1-amino-4-[4-[[(2,3-dichloroquinoxaline-6-carbonyl)-methylamino]methyl]-2-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate",CN(CC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)C5=CC6=C(C=C5)N=C(C(=N6)Cl)Cl.[Na+].[Na+],"InChI=1S/C31H21Cl2N5O9S2.2Na/c1-38(31(41)15-7-9-18-20(11-15)37-30(33)29(32)36-18)13-14-6-8-19(22(10-14)48(42,43)44)35-21-12-23(49(45,46)47)26(34)25-24(21)27(39)16-4-2-3-5-17(16)28(25)40;;/h2-12,35H,13,34H2,1H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2",KVZJATFSWGGAAD-UHFFFAOYSA-L,C31H19Cl2N5Na2O9S2,786.5,784.9796635,,249,1480,0,2,13,5,51,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
TRIFLOXYSTROBIN,141517-21-7,11664966,methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate,C/C(=N\OCC1=CC=CC=C1/C(=N\OC)/C(=O)OC)/C2=CC(=CC=C2)C(F)(F)F,"InChI=1S/C20H19F3N2O4/c1-13(14-8-6-9-16(11-14)20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13+,25-18+",ONCZDRURRATYFI-TVJDWZFNSA-N,C20H19F3N2O4,408.4,408.1296916,4.9,69.5,607,0,0,9,8,29,>70.00 °C (>158.00 °F),approximately 312 °C,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE, 1,3,5-TRIS(3-ISOCYANATOMETHYLPHENYL)-",026603-40-7,117827,"1,3,5-tris(3-isocyanato-4-methylphenyl)-1,3,5-triazinane-2,4,6-trione",CC1=C(C=C(C=C1)N2C(=O)N(C(=O)N(C2=O)C3=CC(=C(C=C3)C)N=C=O)C4=CC(=C(C=C4)C)N=C=O)N=C=O,"InChI=1S/C27H18N6O6/c1-16-4-7-19(10-22(16)28-13-34)31-25(37)32(20-8-5-17(2)23(11-20)29-14-35)27(39)33(26(31)38)21-9-6-18(3)24(12-21)30-15-36/h4-12H,1-3H3",NEQZCEZVSYQHDT-UHFFFAOYSA-N,C27H18N6O6,522.5,522.1287823,7.5,149,964,0,0,9,6,39,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
IMIDAZOLINDINYL UREA,039236-46-9,38258,"1-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-3-[[[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]carbamoylamino]methyl]urea",C(NC(=O)NC1C(=O)NC(=O)N1CO)NC(=O)NC2C(=O)NC(=O)N2CO,"InChI=1S/C11H16N8O8/c20-2-18-4(6(22)16-10(18)26)14-8(24)12-1-13-9(25)15-5-7(23)17-11(27)19(5)3-21/h4-5,20-21H,1-3H2,(H2,12,14,24)(H2,13,15,25)(H,16,22,26)(H,17,23,27)",ZCTXEAQXZGPWFG-UHFFFAOYSA-N,C11H16N8O8,388.29,388.1091095,-3.4,222,627,0,8,8,6,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"BENZENESULFONIC ACID, [(9,10-DIHYDRO-9,10-DIOXO-1,4-ANTHRACENEDIYL)DIIMINO]BIS",071720-84-8,138395885,"disodium;3-(4-chlorophenoxy)-2-[[4-[2-(4-chlorophenoxy)-6-sulfonatoanilino]-9,10-dioxoanthracen-1-yl]amino]benzenesulfonate",C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NC4=C(C=CC=C4S(=O)(=O)[O-])OC5=CC=C(C=C5)Cl)NC6=C(C=CC=C6S(=O)(=O)[O-])OC7=CC=C(C=C7)Cl.[Na+].[Na+],"InChI=1S/C38H24Cl2N2O10S2.2Na/c39-21-11-15-23(16-12-21)51-29-7-3-9-31(53(45,46)47)35(29)41-27-19-20-28(34-33(27)37(43)25-5-1-2-6-26(25)38(34)44)42-36-30(8-4-10-32(36)54(48,49)50)52-24-17-13-22(40)14-18-24;;/h1-20,41-42H,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2",QSLAVCAISXWVEE-UHFFFAOYSA-L,C38H22Cl2N2Na2O10S2,847.6,845.9888312,,208,1400,0,2,12,8,56,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-",132203-70-4,5282138,"3-O-(2-methoxyethyl) 5-O-[(E)-3-phenylprop-2-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",CC1=C(C(C(=C(N1)C)C(=O)OC/C=C/C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCOC,"InChI=1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+",KJEBULYHNRNJTE-DHZHZOJOSA-N,C27H28N2O7,492.5,492.1896512,4.4,120,896,0,1,8,11,36,,653ºC,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Carbamic acid, (5-(phenylsulfinyl)-1H-benzimidazol-2-yl)-, methyl ester",053716-50-0,40854,methyl N-[6-(benzenesulfinyl)-1H-benzimidazol-2-yl]carbamate,COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)C3=CC=CC=C3,"InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)",BEZZFPOZAYTVHN-UHFFFAOYSA-N,C15H13N3O3S,315.3,315.0677625,2.3,103,428,0,2,5,4,22,,,1,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,0,0,1,0
FLUORESCAMINE,038183-12-9,37927,"4'-phenylspiro[2-benzofuran-3,2'-furan]-1,3'-dione",C1=CC=C(C=C1)C2=COC3(C2=O)C4=CC=CC=C4C(=O)O3,InChI=1S/C17H10O4/c18-15-13(11-6-2-1-3-7-11)10-20-17(15)14-9-5-4-8-12(14)16(19)21-17/h1-10H,ZFKJVJIDPQDDFY-UHFFFAOYSA-N,C17H10O4,278.26,278.0579088,2.9,52.6,503,0,0,4,1,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
GLYCYRRHIZIC ACID AMMONIUM SALT,053956-04-0,62074,"(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;azane",C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O.N,"InChI=1S/C42H62O16.H3N/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);1H3/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;/m0./s1",ILRKKHJEINIICQ-OOFFSTKBSA-N,C42H65NO16,840,839.430335,,268,1730,0,9,17,7,59,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
ALPHA-SEXITHIOPHENE,088493-55-4,11340899,2-thiophen-2-yl-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene,C1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)C4=CC=C(S4)C5=CC=C(S5)C6=CC=CS6,InChI=1S/C24H14S6/c1-3-15(25-13-1)17-5-7-19(27-17)21-9-11-23(29-21)24-12-10-22(30-24)20-8-6-18(28-20)16-4-2-14-26-16/h1-14H,KUJYDIFFRDAYDH-UHFFFAOYSA-N,C24H14S6,494.8,493.9419775,8.5,169,536,0,0,6,5,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZAMIDE, N-(4-CHLORO-9,10-DIHYDRO-9,10-DIOXO-1-ANTHRACENYL)-",000081-45-8,6679,"N-(4-chloro-9,10-dioxoanthracen-1-yl)benzamide",C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)Cl)C(=O)C4=CC=CC=C4C3=O,"InChI=1S/C21H12ClNO3/c22-15-10-11-16(23-21(26)12-6-2-1-3-7-12)18-17(15)19(24)13-8-4-5-9-14(13)20(18)25/h1-11H,(H,23,26)",FNCVZYRPXOZNSM-UHFFFAOYSA-N,C21H12ClNO3,361.8,361.0505709,4.9,63.2,586,0,1,3,2,26,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENEACETIC ACID, .ALPHA.-HYDROXY-, 3,3,5-TRIMETHYLCYCLOHEXYL ESTER",000456-59-7,2893,"(3,3,5-trimethylcyclohexyl) 2-hydroxy-2-phenylacetate",CC1CC(CC(C1)(C)C)OC(=O)C(C2=CC=CC=C2)O,"InChI=1S/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3",WZHCOOQXZCIUNC-UHFFFAOYSA-N,C17H24O3,276.4,276.1725446,4.2,46.5,331,0,1,3,4,20,,192-194 °C @ 14 MM HG,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZO[H]BENZ[5,6]ACRIDINO[2,1,9,8-KLMNA]ACRIDINE-8,16-DIONE",000475-71-8,68059,"16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.05,10.018,23.025,29]triaconta-1(28),2(15),3(12),4(30),5,7,9,13,16,18,20,22,25(29),26-tetradecaene-11,24-dione",C1=CC=C2C(=C1)C3=NC4=C5C6=C(C=C4)C(=O)C7=CC=CC=C7C6=NC8=C5C3=C(C2=O)C=C8,InChI=1S/C28H12N2O2/c31-27-15-7-3-1-5-13(15)25-21-17(27)9-12-20-23(21)24-19(29-25)11-10-18-22(24)26(30-20)14-6-2-4-8-16(14)28(18)32/h1-12H,KJPJZBYFYBYKPK-UHFFFAOYSA-N,C28H12N2O2,408.4,408.0898776,5.4,59.9,773,0,0,4,0,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2H-1-BENZOPYRAN-2-ONE, OCTAHYDRO-",004430-31-3,20487,"3,4,4a,5,6,7,8,8a-octahydrochromen-2-one",C1CCC2C(C1)CCC(=O)O2,"InChI=1S/C9H14O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h7-8H,1-6H2",MSFLYJIWLHSQLG-UHFFFAOYSA-N,C9H14O2,154.21,154.0993797,1.9,26.3,165,0,0,2,0,11,,144.00 to 146.00 °C. @ 16.00 mm Hg,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BUTANAMIDE, 4-[2,4-BIS(1,1-DIMETHYLPROPYL)PHENOXY]-N-(4-CHLORO-3-NITROPHENYL)-",063134-29-2,113059,"4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-chloro-3-nitrophenyl)butanamide",CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(C)(C)CC,"InChI=1S/C26H35ClN2O4/c1-7-25(3,4)18-11-14-23(20(16-18)26(5,6)8-2)33-15-9-10-24(30)28-19-12-13-21(27)22(17-19)29(31)32/h11-14,16-17H,7-10,15H2,1-6H3,(H,28,30)",ZUAUHOGKVXHHOK-UHFFFAOYSA-N,C26H35ClN2O4,475,474.2285353,7.9,84.2,649,0,1,4,10,33,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"BICYCLO[3.3.1]NONANE, 2-ETHOXY-2,6,6-TRIMETHYL-9-METHYLENE-",068845-00-1,111376,"2-ethoxy-2,6,6-trimethyl-9-methylidenebicyclo[3.3.1]nonane",CCOC1(CCC2C(=C)C1CCC2(C)C)C,"InChI=1S/C15H26O/c1-6-16-15(5)10-8-12-11(2)13(15)7-9-14(12,3)4/h12-13H,2,6-10H2,1,3-5H3",LUNAXRIJWWBQTE-UHFFFAOYSA-N,C15H26O,222.37,222.1983654,3.6,9.2,292,0,0,1,2,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 4-[[2,4-DIHYDROXY-5-[[4-[(4-SULFOPHENYL)AZO]PHENYL]AZO]P",070210-07-0,172480,"disodium;4-[[4-[[2,4-dihydroxy-5-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonate",C1=CC(=CC=C1N=NC2=CC=C(C=C2)S(=O)(=O)[O-])N=NC3=CC(=C(C=C3O)O)N=NC4=CC=C(C=C4)S(=O)(=O)[O-].[Na+].[Na+],"InChI=1S/C24H18N6O8S2.2Na/c31-23-14-24(32)22(30-28-18-7-11-20(12-8-18)40(36,37)38)13-21(23)29-27-16-3-1-15(2-4-16)25-26-17-5-9-19(10-6-17)39(33,34)35;;/h1-14,31-32H,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2",KIQNBRVSQLGMGA-UHFFFAOYSA-L,C24H16N6Na2O8S2,626.5,626.0266424,,246,1090,0,2,14,6,42,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"XANTHYLIUM, 3,6-BIS(ETHYLAMINO)-9-[2-(METHOXYCARBONYL)PHENYL]-2,7-DIMETHYL-, M",085959-61-1,3086218,"methyl 2-[(4aS)-3,6-bis(diethylamino)-2,7-dimethyl-4aH-xanthen-9-yl]benzoate",CCN(CC)C1=C[C@H]2C(=C(C3=C(O2)C=C(C(=C3)C)N(CC)CC)C4=CC=CC=C4C(=O)OC)C=C1C,"InChI=1S/C31H38N2O3/c1-8-32(9-2)26-18-28-24(16-20(26)5)30(22-14-12-13-15-23(22)31(34)35-7)25-17-21(6)27(19-29(25)36-28)33(10-3)11-4/h12-19,28H,8-11H2,1-7H3/t28-/m0/s1",CILQGDJCXHLODI-NDEPHWFRSA-N,C31H38N2O3,486.6,486.2882431,5.9,42,882,0,0,5,9,36,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2H-1,2-Benzothiazine-3-carboxylic acid, 4-hydroxy-2-methyl-, ethyl ester, 1,1-",024683-26-9,54679348,"ethyl 4-hydroxy-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxylate",CCOC(=O)C1=C(C2=CC=CC=C2S(=O)(=O)N1C)O,"InChI=1S/C12H13NO5S/c1-3-18-12(15)10-11(14)8-6-4-5-7-9(8)19(16,17)13(10)2/h4-7,14H,3H2,1-2H3",QWTNANUGXZEPFQ-UHFFFAOYSA-N,C12H13NO5S,283.3,283.0514437,3.2,92.3,505,0,1,6,3,19,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
AZOXYSTROBIN ( 0.31% ),131860-33-8,3034285,methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate,CO/C=C(\C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)/C(=O)OC,"InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+",WFDXOXNFNRHQEC-GHRIWEEISA-N,C22H17N3O5,403.4,403.1168207,3.7,104,646,0,0,8,8,30,,,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"L-Prolinamide, 5-oxo-L-prolyl-L-histidyl-",024305-27-9,638678,(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide,C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H]3CCC(=O)N3)C(=O)N,"InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1",XNSAINXGIQZQOO-SRVKXCTJSA-N,C16H22N6O4,362.38,362.1702532,-2.5,150,597,0,4,5,6,26,,,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"POLYNUCLEOTIDE KINASE, T4",037211-65-7,168266258,"bis(5-benzyl-8,8-dimethylnon-6-ene-1-sulfonic acid);5-[2-(4-tert-butylphenyl)ethenyl]-7-methyloctane-1-sulfonic acid;8,8-dimethyl-5-phenylnon-6-ene-1-sulfonic acid;5-[(4-fluorophenyl)methyl]-8,8-dimethylnon-6-ene-1-sulfonic acid;bis(5-[(4-methoxyphenyl)methyl]-8,8-dimethylnon-6-ene-1-sulfonic acid)",CC(C)CC(CCCCS(=O)(=O)O)C=CC1=CC=C(C=C1)C(C)(C)C.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=CC=C1.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=CC=C1.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=C(C=C1)OC.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=C(C=C1)OC.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=C(C=C1)F.CC(C)(C)C=CC(CCCCS(=O)(=O)O)C1=CC=CC=C1,"InChI=1S/C21H34O3S.2C19H30O4S.C18H27FO3S.2C18H28O3S.C17H26O3S/c1-17(2)16-19(8-6-7-15-25(22,23)24)10-9-18-11-13-20(14-12-18)21(3,4)5;2*1-19(2,3)13-12-16(7-5-6-14-24(20,21)22)15-17-8-10-18(23-4)11-9-17;1-18(2,3)12-11-15(6-4-5-13-23(20,21)22)14-16-7-9-17(19)10-8-16;2*1-18(2,3)13-12-17(11-7-8-14-22(19,20)21)15-16-9-5-4-6-10-16;1-17(2,3)13-12-16(15-9-5-4-6-10-15)11-7-8-14-21(18,19)20/h9-14,17,19H,6-8,15-16H2,1-5H3,(H,22,23,24);2*8-13,16H,5-7,14-15H2,1-4H3,(H,20,21,22);7-12,15H,4-6,13-14H2,1-3H3,(H,20,21,22);2*4-6,9-10,12-13,17H,7-8,11,14-15H2,1-3H3,(H,19,20,21);4-6,9-10,12-13,16H,7-8,11,14H2,1-3H3,(H,18,19,20)",UYHJRHFVCNRYHX-UHFFFAOYSA-N,C130H203FO23S7,2377.5,2376.277774,,458,2230,0,7,24,65,161,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0
ERTAPENEM SODIUM,153773-82-1,23674512,"sodium 3-[[(2S,4S)-4-[[(4R,5S,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]pyrrolidine-2-carbonyl]amino]benzoate",C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)NC4=CC=CC(=C4)C(=O)[O-])C(=O)O)[C@@H](C)O.[Na+],"InChI=1S/C22H25N3O7S.Na/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30;/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32);/q;+1/p-1/t9-,10-,13+,14+,15-,16-;/m1./s1",ZXNAQFZBWUNWJM-HRXMHBOMSA-M,C22H24N3NaO7S,497.5,497.1232656,,184,900,0,4,9,7,34,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0
PRAZEPAM,002955-38-6,4890,"7-chloro-1-(cyclopropylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one",C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4,"InChI=1S/C19H17ClN2O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)21-11-18(23)22(17)12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2",MWQCHHACWWAQLJ-UHFFFAOYSA-N,C19H17ClN2O,324.8,324.1029409,3.6,32.7,482,0,0,2,3,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1
"((7R)-4-(5-CHLORO-2-BENZOXAZOLYL)HEXAHYDRO-7-METHYL-1H-1,4-DIAZEPIN-1-YL)(5-METHYL-2-(2H-1,2,3-TRIAZOL-2-YL)PHENYL)METHANONE",1030377-33-3,24965990,"[(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone",C[C@@H]1CCN(CCN1C(=O)C2=C(C=CC(=C2)C)N3N=CC=N3)C4=NC5=C(O4)C=CC(=C5)Cl,"InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1",JYTNQNCOQXFQPK-MRXNPFEDSA-N,C23H23ClN6O2,450.9,450.1571017,4.9,80.3,664,0,0,6,3,32,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1
Cyclopamine-,004449-51-8,442972,"(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol",C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1,"InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1",QASFUMOKHFSJGL-LAFRSMQTSA-N,C27H41NO2,411.6,411.3137296,3.5,41.5,801,0,2,3,0,30,,,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0
SYBR GREEN I,163795-75-3,10436340,"N,N-dimethyl-N'-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylquinolin-1-ium-2-yl]-N'-propylpropane-1,3-diamine",CCCN(CCCN(C)C)C1=[N+](C2=CC=CC=C2C(=C1)/C=C/3\N(C4=CC=CC=C4S3)C)C5=CC=CC=C5,"InChI=1S/C32H37N4S/c1-5-20-35(22-13-21-33(2)3)31-23-25(24-32-34(4)29-18-11-12-19-30(29)37-32)27-16-9-10-17-28(27)36(31)26-14-7-6-8-15-26/h6-12,14-19,23-24H,5,13,20-22H2,1-4H3/q+1",CGNLCCVKSWNSDG-UHFFFAOYSA-N,C32H37N4S+,509.7,509.2738934,8.2,38.9,734,1,0,4,9,37,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
PERMANENT YELLOW PIGMENT,005979-28-2,22288,"2-[(2,4-dichlorophenyl)diazenyl]-N-[4-[4-[[2-[(2,4-dichlorophenyl)diazenyl]-3-oxobutanoyl]amino]-3-methylphenyl]-2-methylphenyl]-3-oxobutanamide",CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C(C(=O)C)N=NC3=C(C=C(C=C3)Cl)Cl)C)NC(=O)C(C(=O)C)N=NC4=C(C=C(C=C4)Cl)Cl,"InChI=1S/C34H28Cl4N6O4/c1-17-13-21(5-9-27(17)39-33(47)31(19(3)45)43-41-29-11-7-23(35)15-25(29)37)22-6-10-28(18(2)14-22)40-34(48)32(20(4)46)44-42-30-12-8-24(36)16-26(30)38/h5-16,31-32H,1-4H3,(H,39,47)(H,40,48)",JFMYRCRXYIIGBB-UHFFFAOYSA-N,C34H28Cl4N6O4,726.4,726.089664,10,142,1120,0,2,8,11,48,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BENZO(B)FLUORANTHENE,000205-99-2,9153,"pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene",C1=CC=C2C3=C4C(=CC=C3)C5=CC=CC=C5C4=CC2=C1,InChI=1S/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H,FTOVXSOBNPWTSH-UHFFFAOYSA-N,C20H12,252.3,252.0939004,6.4,0,372,0,0,0,0,20,,481 °C,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"DIBENZO(A,H)ANTHRACENE",000053-70-3,5889,"naphtho[1,2-b]phenanthrene",C1=CC=C2C(=C1)C=CC3=CC4=C(C=CC5=CC=CC=C54)C=C32,InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H,LHRCREOYAASXPZ-UHFFFAOYSA-N,C22H14,278.3,278.1095504,6.5,0,361,0,0,0,0,22,,"975 °F at 760 mmHg (NTP, 1992)",1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
5-Androstenedione,000571-40-4,11196935,"(5S,8R,9S,10R,13S,14S)-10,13-dimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthrene-3,17-dione",C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@]3(C=CC(=O)C4)C,"InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12,14-16H,3-6,8,10-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1",WJIQCDPCDVWDDE-WZNAKSSCSA-N,C19H26O2,286.4,286.1932801,3.6,34.1,534,0,0,2,0,21,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2,4,6-TRIAMINO-S-TRIAZINCOMPD.WITHS-TRIAZINE-TRIOL",037640-57-6,93198,"1,3,5-triazinane-2,4,6-trione;1,3,5-triazine-2,4,6-triamine",C1(=NC(=NC(=N1)N)N)N.C1(=O)NC(=O)NC(=O)N1,"InChI=1S/C3H6N6.C3H3N3O3/c4-1-7-2(5)9-3(6)8-1;7-1-4-2(8)6-3(9)5-1/h(H6,4,5,6,7,8,9);(H3,4,5,6,7,8,9)",ZQKXQUJXLSSJCH-UHFFFAOYSA-N,C6H9N9O3,255.2,255.0828352,,204,199,0,6,9,0,18,,,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0
PANFURAN S,000794-93-4,6414792,"[hydroxymethyl-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]amino]methanol",C1=C(OC(=C1)[N+](=O)[O-])/C=C/C2=CN=C(N=N2)N(CO)CO,"InChI=1S/C11H11N5O5/c17-6-15(7-18)11-12-5-8(13-14-11)1-2-9-3-4-10(21-9)16(19)20/h1-5,17-18H,6-7H2/b2-1+",RQWQIVXLPCFXCO-OWOJBTEDSA-N,C11H11N5O5,293.24,293.0760185,0,141,373,0,2,9,5,21,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"DIBENZO (A,E) FLUORANTHENE",005385-75-1,21480,"hexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaene",C1=CC=C2C(=C1)C=C3C4=CC=CC=C4C5=C3C2=CC6=CC=CC=C65,InChI=1S/C24H14/c1-3-9-17-15(7-1)13-22-19-11-5-6-12-20(19)23-18-10-4-2-8-16(18)14-21(17)24(22)23/h1-14H,JHOWUOKQHJHGMU-UHFFFAOYSA-N,C24H14,302.4,302.1095504,6.7,0,480,0,0,0,0,24,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
BORON CARBIDE,012069-32-8,123279,"2,3,4,5-tetraboratetracyclo[2.1.0.01,3.02,5]pentane",B12B3C14B2B43,InChI=1S/CB4/c2-1-3(2)5(1)4(1)2,INAHAJYZKVIDIZ-UHFFFAOYSA-N,CB4,55.3,56.0372207,,0,106,0,0,0,0,5,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-",112568-12-4,16130938,N-[(5R)-5-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-6-(pyridine-3-carbonylamino)hexanoyl]amino]-6-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-6-(propan-2-ylamino)hexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-6-oxohexyl]pyridine-3-carboxamide,C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCNC(=O)C2=CN=CC=C2)NC(=O)[C@H](CCCCNC(=O)C3=CN=CC=C3)NC(=O)[C@H](CO)NC(=O)[C@@H](CC4=CN=CC=C4)NC(=O)[C@@H](CC5=CC=C(C=C5)Cl)NC(=O)[C@@H](CC6=CC7=CC=CC=C7C=C6)NC(=O)C,"InChI=1S/C82H108ClN17O14/c1-50(2)41-65(76(108)95-64(26-11-12-37-88-51(3)4)82(114)100-40-18-27-70(100)81(113)91-52(5)71(84)103)96-75(107)63(25-10-14-39-90-73(105)60-23-17-36-87-48-60)93-74(106)62(24-9-13-38-89-72(104)59-22-16-35-86-47-59)94-80(112)69(49-101)99-79(111)68(45-56-19-15-34-85-46-56)98-78(110)67(43-54-29-32-61(83)33-30-54)97-77(109)66(92-53(6)102)44-55-28-31-57-20-7-8-21-58(57)42-55/h7-8,15-17,19-23,28-36,42,46-48,50-52,62-70,88,101H,9-14,18,24-27,37-41,43-45,49H2,1-6H3,(H2,84,103)(H,89,104)(H,90,105)(H,91,113)(H,92,102)(H,93,106)(H,94,112)(H,95,108)(H,96,107)(H,97,109)(H,98,110)(H,99,111)/t52-,62+,63-,64+,65+,66-,67-,68-,69+,70+/m1/s1",QRYFGTULTGLGHU-NBERXCRTSA-N,C82H108ClN17O14,1591.3,1589.795019,5,454,3110,0,14,18,46,114,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"19-NOR-4,9(10)-ANDROSTADIENEDIONE",005173-46-6,9835169,"(8S,13S,14S)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione",C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CCC2=O,"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,15-16H,2-9H2,1H3/t15-,16+,18+/m1/s1",BHTWZQKERRCPRZ-RYRKJORJSA-N,C18H22O2,270.4,270.1619799,1.5,34.1,566,0,0,2,0,20,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
N-(3-(3-(1H-IMIDAZOLYL)PROPOXY)PHENYL)-4-METHYL-3-((4-(3-PYRIDINYL)-2-PYRIMIDINYL)AMINO)BENZAMIDE,641571-10-0,644241,4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide,CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5,"InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)",HHZIURLSWUIHRB-UHFFFAOYSA-N,C28H22F3N7O,529.5,529.1837928,4.9,97.6,817,0,2,9,6,39,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
FENBENDAZOLE,043210-67-9,3334,methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate,COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=CC=C3,"InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)",HDDSHPAODJUKPD-UHFFFAOYSA-N,C15H13N3O2S,299.3,299.0728478,3.6,92.3,363,0,2,4,4,21,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"STANOZOLOL (WINSTROL, WINSTROL-V)",000302-96-5,25249,"(1S,2S,10S,13R,14S,17S,18S)-2,17,18-trimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-17-ol",C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC5=C(C4)NN=C5)C,"InChI=1S/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16-,17-,19-,20-,21-/m0/s1",LKAJKIOFIWVMDJ-IYRCEVNGSA-N,C21H32N2O,328.5,328.2514636,4.5,48.9,538,0,2,2,0,24,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"1-Pioerazineethanol, 4-(2-methoxyphenyl)-alpha-((1-naphthalenyloxy)methyl)-",057149-07-2,4418,1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol,COC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=CC4=CC=CC=C43)O,"InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3",HRRBJVNMSRJFHQ-UHFFFAOYSA-N,C24H28N2O3,392.5,392.2099928,4.1,45.2,483,0,1,5,7,29,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
DOMPERIDONE,057808-66-9,3151,6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one,C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O,"InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)",FGXWKSZFVQUSTL-UHFFFAOYSA-N,C22H24ClN5O2,425.9,425.1618527,3.9,67.9,655,0,2,3,5,30,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
TRIMETREXATE GLUCURONATE,082952-64-5,54949,"5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid",CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC.C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O,"InChI=1S/C19H23N5O3.C6H10O7/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3;7-1-2(8)3(9)4(10)5(11)6(12)13/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24);1-5,8-11H,(H,12,13)/t;2-,3+,4-,5-/m.0/s1",ZCJXQWYMBJYJNB-LRDBBFHQSA-N,C25H33N5O10,563.6,563.2227423,,253,648,0,8,15,11,40,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Atriopeptin-33(rat), 1-de-L-leucine-2-de-L-alanine-3-deglycine-4-de-L-proline-",089213-87-6,16129708,"(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(4R,10S,16S,19S,22S,28S,31S,34S,37S,40S,49S,52R)-52-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-19-(3-amino-3-oxopropyl)-49-benzyl-28-[(2S)-butan-2-yl]-31,40-bis(3-carbamimidamidopropyl)-34-(carboxymethyl)-16-(hydroxymethyl)-22-methyl-10-(2-methylpropyl)-37-(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacontane-4-carbonyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid",CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCNC(=N)N)CC(=O)O)CCSC)CCCNC(=N)N)CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O)CC(C)C)CO)CCC(=O)N)C,"InChI=1S/C127H203N45O39S3/c1-9-64(6)99-121(209)150-52-94(182)151-65(7)100(188)155-76(34-35-91(129)179)109(197)167-85(56-174)104(192)149-53-96(184)153-78(43-62(2)3)102(190)148-54-97(185)154-89(119(207)164-82(48-92(130)180)114(202)169-86(57-175)116(204)163-81(46-67-23-14-11-15-24-67)113(201)158-73(27-18-39-143-125(135)136)107(195)166-84(122(210)211)47-68-30-32-69(178)33-31-68)60-213-214-61-90(171-118(206)88(59-177)170-117(205)87(58-176)168-108(196)74(28-19-40-144-126(137)138)156-106(194)72(26-17-38-142-124(133)134)157-112(200)79(44-63(4)5)161-101(189)70(128)55-173)120(208)162-80(45-66-21-12-10-13-22-66)103(191)147-50-93(181)146-51-95(183)152-71(25-16-37-141-123(131)132)105(193)160-77(36-42-212-8)110(198)165-83(49-98(186)187)115(203)159-75(111(199)172-99)29-20-41-145-127(139)140/h10-15,21-24,30-33,62-65,70-90,99,173-178H,9,16-20,25-29,34-61,128H2,1-8H3,(H2,129,179)(H2,130,180)(H,146,181)(H,147,191)(H,148,190)(H,149,192)(H,150,209)(H,151,182)(H,152,183)(H,153,184)(H,154,185)(H,155,188)(H,156,194)(H,157,200)(H,158,201)(H,159,203)(H,160,193)(H,161,189)(H,162,208)(H,163,204)(H,164,207)(H,165,198)(H,166,195)(H,167,197)(H,168,196)(H,169,202)(H,170,205)(H,171,206)(H,172,199)(H,186,187)(H,210,211)(H4,131,132,141)(H4,133,134,142)(H4,135,136,143)(H4,137,138,144)(H4,139,140,145)/t64-,65-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,99-/m0/s1",NSQLIUXCMFBZME-MPVJKSABSA-N,C127H203N45O39S3,3080.5,3079.44805,-14.9,1480,6940,0,53,48,75,214,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Bezeneheptanoic acid, beta-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-",112665-43-7,2449,"7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid",CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)C,"InChI=1S/C22H26O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-11,18H,5,8-9,12-13H2,1-3H3,(H,23,24)",ZBVKEHDGYSLCCC-UHFFFAOYSA-N,C22H26O4,354.4,354.1831093,4.4,71.4,633,0,1,4,8,26,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
CENOBAMATE,913088-80-9,11962412,[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbamate,C1=CC=C(C(=C1)[C@H](CN2N=CN=N2)OC(=O)N)Cl,"InChI=1S/C10H10ClN5O2/c11-8-4-2-1-3-7(8)9(18-10(12)17)5-16-14-6-13-15-16/h1-4,6,9H,5H2,(H2,12,17)/t9-/m0/s1",GFHAXPJGXSQLPT-VIFPVBQESA-N,C10H10ClN5O2,267.67,267.0523023,1.5,95.9,293,0,1,5,5,18,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,1
SELAMECTIN,220119-17-5,9578507,"(1R,4S,5'S,6R,6'S,8R,10E,12S,13S,14E,16E,20R,21Z,24S)-6'-cyclohexyl-24-hydroxy-21-hydroxyimino-12-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one",C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]\5[C@@]4([C@@H](C=C(/C5=N/O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)\C)O[C@@H]1C7CCCCC7,"InChI=1S/C43H63NO11/c1-24-11-10-14-30-23-50-40-36(44-48)27(4)19-33(43(30,40)47)41(46)52-32-20-31(16-15-25(2)38(24)53-35-21-34(49-6)37(45)28(5)51-35)54-42(22-32)18-17-26(3)39(55-42)29-12-8-7-9-13-29/h10-11,14-15,19,24,26,28-29,31-35,37-40,45,47-48H,7-9,12-13,16-18,20-23H2,1-6H3/b11-10+,25-15+,30-14+,44-36-/t24-,26-,28-,31+,32-,33-,34-,35-,37-,38-,39-,40+,42+,43+/m0/s1",AFJYYKSVHJGXSN-XHKIUTQPSA-N,C43H63NO11,770,769.4401118,5.4,155,1550,0,3,12,4,55,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"2-NAPHTHALENECARBOXAMIDE, 3-HYDROXY-N-2-NAPHTHALENYL-",000135-64-8,67276,3-hydroxy-N-naphthalen-2-ylnaphthalene-2-carboxamide,C1=CC=C2C=C(C=CC2=C1)NC(=O)C3=CC4=CC=CC=C4C=C3O,"InChI=1S/C21H15NO2/c23-20-13-17-8-4-3-7-16(17)12-19(20)21(24)22-18-10-9-14-5-1-2-6-15(14)11-18/h1-13,23H,(H,22,24)",PMYDPQQPEAYXKD-UHFFFAOYSA-N,C21H15NO2,313.3,313.1102787,5.5,49.3,451,0,2,2,2,24,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"(5ALPHA,6BETA)-17-(CYCLOPROPYLMETHYL)-4,5-EPOXY-MORPHINAN-3,6,14-TRIOL",049625-89-0,5486554,"(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol",C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC6CC6)[C@H]([C@@H]1O)OC5=C(C=C4)O)O,"InChI=1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15-,18+,19+,20-/m1/s1",JLVNEHKORQFVQJ-PYIJOLGTSA-N,C20H25NO4,343.4,343.1783583,-0.4,73.2,582,0,3,5,2,25,,,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
FLUDIOXONIL,131341-86-1,86398,"4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile",C1=CC(=C2C(=C1)OC(O2)(F)F)C3=CNC=C3C#N,"InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H",MUJOIMFVNIBMKC-UHFFFAOYSA-N,C12H6F2N2O2,248.18,248.0397338,2.6,58,382,0,1,5,1,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
MANDIPROPAMID,374726-62-2,11292824,2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-prop-2-ynoxyacetamide,COC1=C(C=CC(=C1)CCNC(=O)C(C2=CC=C(C=C2)Cl)OCC#C)OCC#C,"InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)",KWLVWJPJKJMCSH-UHFFFAOYSA-N,C23H22ClNO4,411.9,411.1237359,3.9,56.8,598,0,1,4,10,29,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3(2H)-Furanone, 5-(methylamino)-2-phenyl-4-(3-(trifluoromethyl)phenyl)-, (+-)-",096525-23-4,91755,5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3-one,CNC1=C(C(=O)C(O1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F,"InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3",NYRMIJKDBAQCHC-UHFFFAOYSA-N,C18H14F3NO2,333.3,333.0976632,4.5,38.3,509,0,1,6,3,24,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-(1,1-DIMETHYLETHYL)-4-HYDROXY-5-METHYL- BENZENEPROPANOIC ACID, 1,2-ETHANEDIYLBIS(OXY-2,1-ETHANEDIYL) ESTER",036443-68-2,91620,2-[2-[2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]ethoxy]ethoxy]ethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate,CC1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCCOCCOCCOC(=O)CCC2=CC(=C(C(=C2)C)O)C(C)(C)C,"InChI=1S/C34H50O8/c1-23-19-25(21-27(31(23)37)33(3,4)5)9-11-29(35)41-17-15-39-13-14-40-16-18-42-30(36)12-10-26-20-24(2)32(38)28(22-26)34(6,7)8/h19-22,37-38H,9-18H2,1-8H3",QSRJVOOOWGXUDY-UHFFFAOYSA-N,C34H50O8,586.8,586.3505686,6.9,112,734,0,2,8,19,42,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
AFIDOPYROPEN,915972-17-7,54589430,"[(1S,2S,5S,6R,7R,9S,10S,18R)-5-(cyclopropanecarbonyloxy)-9,18-dihydroxy-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-6-yl]methyl cyclopropanecarboxylate",C[C@]12CC[C@@H]([C@@]([C@@H]1C[C@@H]([C@@]3([C@@H]2[C@H](C4=C(O3)C=C(OC4=O)C5=CN=CC=C5)O)C)O)(C)COC(=O)C6CC6)OC(=O)C7CC7,"InChI=1S/C33H39NO9/c1-31-11-10-24(42-29(38)18-8-9-18)32(2,16-40-28(37)17-6-7-17)22(31)14-23(35)33(3)27(31)26(36)25-21(43-33)13-20(41-30(25)39)19-5-4-12-34-15-19/h4-5,12-13,15,17-18,22-24,26-27,35-36H,6-11,14,16H2,1-3H3/t22-,23+,24+,26+,27-,31+,32+,33-/m1/s1",LRZWFURXIMFONG-HRSIRGMGSA-N,C33H39NO9,593.7,593.2624818,2.8,141,1270,0,2,10,8,43,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CHROMATE(2-), [3-[(4,5-DIHYDRO-3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4-YL)AZO]-4-",052587-68-5,162687,disodium;chromium(3+);3-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-4-oxidobenzenesulfonate;1-[(2-oxido-5-phenyldiazenylphenyl)diazenyl]naphthalen-2-olate,CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)[O-])[O-])[O-])C3=CC=CC=C3.C1=CC=C(C=C1)N=NC2=CC(=C(C=C2)[O-])N=NC3=C(C=CC4=CC=CC=C43)[O-].[Na+].[Na+].[Cr+3],"InChI=1S/C22H16N4O2.C16H14N4O5S.Cr.2Na/c27-20-13-11-17(24-23-16-7-2-1-3-8-16)14-19(20)25-26-22-18-9-5-4-6-15(18)10-12-21(22)28;1-10-15(16(22)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(26(23,24)25)7-8-14(13)21;;;/h1-14,27-28H;2-9,21-22H,1H3,(H,23,24,25);;;/q;;+3;2*+1/p-5",QTQCXPMMVMMHIW-UHFFFAOYSA-I,C38H25CrN8Na2O7S,835.7,835.076735,,250,1140,0,0,14,7,57,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"NAPHTH[2,3-B]OXIRENE, 1A,2,3,4,5,6,7,7A-OCTAHYDRO-1A,3,3,4,6,6-HEXAMETHYL-, (1",094400-98-3,44152188,"(1aR,4S,7aS)-1a,3,3,4,6,6-hexamethyl-4,5,7,7a-tetrahydro-2H-naphtho[2,3-b]oxirene",C[C@H]1CC(C2=C(C1(C)C)C[C@@]3([C@H](C2)O3)C)(C)C,"InChI=1S/C16H26O/c1-10-8-14(2,3)11-7-13-16(6,17-13)9-12(11)15(10,4)5/h10,13H,7-9H2,1-6H3/t10-,13-,16+/m0/s1",OHHWFLWQMHUVFQ-YNZJMPHRSA-N,C16H26O,234.38,234.1983654,3.8,12.5,402,0,0,1,0,17,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
BOSCALID,188425-85-6,213013,2-chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide,C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)NC(=O)C3=C(N=CC=C3)Cl,"InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)",WYEMLYFITZORAB-UHFFFAOYSA-N,C18H12Cl2N2O,343.2,342.0326684,4.9,42,398,0,1,2,3,23,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 2-[[[4-[(2-THIAZOLYLAMINO)SULFONYL]PHENYL]AMINO]CARBONYL]-",000085-73-4,4806,"2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid",C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C(=O)O,"InChI=1S/C17H13N3O5S2/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23)",PBMSWVPMRUJMPE-UHFFFAOYSA-N,C17H13N3O5S2,403.4,403.0296629,1.1,162,643,0,3,8,6,27,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-NAPHTHALENESULFONIC ACID, 4-HYDROXY-3-[[4-METHYL-3-[(PHENYLAMINO)SULFONYL]PH",003058-98-8,135601373,sodium 4-hydroxy-3-[[4-methyl-3-(phenylsulfamoyl)phenyl]diazenyl]naphthalene-1-sulfonate,CC1=C(C=C(C=C1)N=NC2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)[O-])O)S(=O)(=O)NC4=CC=CC=C4.[Na+],"InChI=1S/C23H19N3O6S2.Na/c1-15-11-12-17(13-21(15)33(28,29)26-16-7-3-2-4-8-16)24-25-20-14-22(34(30,31)32)18-9-5-6-10-19(18)23(20)27;/h2-14,26-27H,1H3,(H,30,31,32);/q;+1/p-1",KKJOSHGDFRDDGD-UHFFFAOYSA-M,C23H18N3NaO6S2,519.5,519.0534719,,165,930,0,2,9,6,35,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"5-BENZOXAZOLESULFONAMIDE, 2-[7-(DIETHYLAMINO)-2-OXO-2H-1-BENZOPYRAN-3-YL]-",068427-35-0,62249,"2-[7-(diethylamino)-2-oxochromen-3-yl]-1,3-benzoxazole-5-sulfonamide",CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=C(O3)C=CC(=C4)S(=O)(=O)N,"InChI=1S/C20H19N3O5S/c1-3-23(4-2)13-6-5-12-9-15(20(24)28-18(12)10-13)19-22-16-11-14(29(21,25)26)7-8-17(16)27-19/h5-11H,3-4H2,1-2H3,(H2,21,25,26)",SDUIURJVOCHJCO-UHFFFAOYSA-N,C20H19N3O5S,413.4,413.1045419,2.8,124,761,0,1,8,5,29,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-NAPHTHALENESULFONIC ACID, 6-AMINO-4-HYDROXY-5-[[4-[(PHENYLAMINO)SULFONYL]PHE",069029-99-8,135764927,sodium 6-amino-4-hydroxy-5-[[4-(phenylsulfamoyl)phenyl]diazenyl]naphthalene-2-sulfonate,C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(C=CC4=CC(=CC(=C43)O)S(=O)(=O)[O-])N.[Na+],"InChI=1S/C22H18N4O6S2.Na/c23-19-11-6-14-12-18(34(30,31)32)13-20(27)21(14)22(19)25-24-15-7-9-17(10-8-15)33(28,29)26-16-4-2-1-3-5-16;/h1-13,26-27H,23H2,(H,30,31,32);/q;+1/p-1",PHFFTMDAGZHLEM-UHFFFAOYSA-M,C22H17N4NaO6S2,520.5,520.0487209,,191,925,0,3,10,6,35,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZENESULFONIC ACID, 2-[[5-AMINO-3-METHYL-1-(3-SULFOPHENYL)-1H-PYRAZOL-5-YL]A",072828-69-4,44149915,disodium;3-[3-amino-3-[[2-[4-[2-[4-[2-[[3-amino-5-methyl-2-(3-sulfonatophenyl)-1H-pyrazol-3-yl]diazenyl]phenyl]sulfonyloxyphenyl]propan-2-yl]phenoxy]sulfonylphenyl]diazenyl]-5-methyl-1H-pyrazol-2-yl]benzenesulfonate,CC1=CC(N(N1)C2=CC(=CC=C2)S(=O)(=O)[O-])(N)N=NC3=CC=CC=C3S(=O)(=O)OC4=CC=C(C=C4)C(C)(C)C5=CC=C(C=C5)OS(=O)(=O)C6=CC=CC=C6N=NC7(C=C(NN7C8=CC(=CC=C8)S(=O)(=O)[O-])C)N.[Na+].[Na+],"InChI=1S/C47H46N10O12S4.2Na/c1-31-29-46(48,56(52-31)35-11-9-13-39(27-35)70(58,59)60)54-50-41-15-5-7-17-43(41)72(64,65)68-37-23-19-33(20-24-37)45(3,4)34-21-25-38(26-22-34)69-73(66,67)44-18-8-6-16-42(44)51-55-47(49)30-32(2)53-57(47)36-12-10-14-40(28-36)71(61,62)63;;/h5-30,52-53H,48-49H2,1-4H3,(H,58,59,60)(H,61,62,63);;/q;2*+1/p-2",CPDIJYDRWVNRGQ-UHFFFAOYSA-L,C47H44N10Na2O12S4,1115.2,1114.18184,,367,2330,0,4,22,14,75,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-PROPANAMINIUM, 3-[[2-CYANO-3-[4-(DIETHYLAMINO)PHENYL]-1-OXO-2-PROPENYL]OXY]-",078181-99-4,6441372,2-[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxyethyl-[3-[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxypropyl]-dimethylazanium chloride,CCN(CC)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCCC[N+](C)(C)CCOC(=O)/C(=C/C2=CC=C(C=C2)N(CC)CC)/C#N.[Cl-],"InChI=1S/C35H46N5O4.ClH/c1-7-38(8-2)32-16-12-28(13-17-32)24-30(26-36)34(41)43-22-11-20-40(5,6)21-23-44-35(42)31(27-37)25-29-14-18-33(19-15-29)39(9-3)10-4;/h12-19,24-25H,7-11,20-23H2,1-6H3;1H/q+1;/p-1/b30-24+,31-25+;",DLNMMVNCTSAPOW-LMKNCCGPSA-M,C35H46ClN5O4,636.2,635.3238327,,107,1060,0,0,9,19,45,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"COBALTATE(1-), [2-[(2-AMINO-1-NAPHTHALENYL)AZO]-5-NITROPHENOLATO(2-)][N-(2-CHL",093776-36-4,135990925,sodium;2-[(2-azanidylnaphthalen-1-yl)diazenyl]-5-nitrophenolate;2-[[(Z)-1-(2-chloroanilino)-3-oxido-1-oxobut-2-en-2-yl]diazenyl]-4-(methylsulfamoyl)phenolate;cobalt(3+),C/C(=C(\C(=O)NC1=CC=CC=C1Cl)/N=NC2=C(C=CC(=C2)S(=O)(=O)NC)[O-])/[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)[N+](=O)[O-])[O-])[NH-].[Na+].[Co+3],"InChI=1S/C17H17ClN4O5S.C16H11N4O3.Co.Na/c1-10(23)16(17(25)20-13-6-4-3-5-12(13)18)22-21-14-9-11(7-8-15(14)24)28(26,27)19-2;17-13-7-5-10-3-1-2-4-12(10)16(13)19-18-14-8-6-11(20(22)23)9-15(14)21;;/h3-9,19,23-24H,1-2H3,(H,20,25);1-9H,(H2-,17,18,19,21);;/q;-1;+3;+1/p-3/b16-10-,22-21?;;;",LDOSXFYPYXGCMA-MVBLGLMESA-K,C33H25ClCoN8NaO8S,811,810.043421,,249,1170,0,3,14,8,53,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"CHROMATE(3-), BIS[2-[[2,4-DIHYDROXY-3-[(5-SULFO-1-NAPHTHALENYL)AZO]PHENYL]AZO]",094933-05-8,135850434,"trisodium;bis(5-[[3-[(2-carboxyphenyl)diazenyl]-2,6-dioxidophenyl]diazenyl]naphthalene-1-sulfonate);chromium(3+)",C1=CC=C(C(=C1)C(=O)O)N=NC2=C(C(=C(C=C2)[O-])N=NC3=CC=CC4=C3C=CC=C4S(=O)(=O)[O-])[O-].C1=CC=C(C(=C1)C(=O)O)N=NC2=C(C(=C(C=C2)[O-])N=NC3=CC=CC4=C3C=CC=C4S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Cr+3],"InChI=1S/2C23H16N4O7S.Cr.3Na/c2*28-19-12-11-18(26-24-17-8-2-1-5-15(17)23(30)31)22(29)21(19)27-25-16-9-3-7-14-13(16)6-4-10-20(14)35(32,33)34;;;;/h2*1-12,28-29H,(H,30,31)(H,32,33,34);;;;/q;;+3;3*+1/p-6",WUTGKAMXOTUQGV-UHFFFAOYSA-H,C46H26CrN8Na3O14S2,1099.8,1099.010802,,397,895,0,2,22,10,74,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"BENZOIC ACID, 4-[(5-CYANO-1,6-DIHYDRO-2-HYDROXY-1,4-DIMETHYL-6-OXO-3-PYRIDINYL",088938-37-8,136029262,"2-phenoxyethyl 4-[(5-cyano-6-hydroxy-1,4-dimethyl-2-oxo-3-pyridinyl)diazenyl]benzoate",CC1=C(C(=O)N(C(=C1C#N)O)C)N=NC2=CC=C(C=C2)C(=O)OCCOC3=CC=CC=C3,"InChI=1S/C23H20N4O5/c1-15-19(14-24)21(28)27(2)22(29)20(15)26-25-17-10-8-16(9-11-17)23(30)32-13-12-31-18-6-4-3-5-7-18/h3-11,28H,12-13H2,1-2H3",XEFHWUWSQMVSHI-UHFFFAOYSA-N,C23H20N4O5,432.4,432.1433698,3.7,125,855,0,1,8,8,32,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
1-(2-CYCLOHEXYLETHYL)-3-(2-METHOXYPHENYLACETYL)INDOLE,1345970-42-4,53394099,1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone,COC1=CC=CC=C1CC(=O)C2=CN(C3=CC=CC=C32)CCC4CCCCC4,"InChI=1S/C25H29NO2/c1-28-25-14-8-5-11-20(25)17-24(27)22-18-26(23-13-7-6-12-21(22)23)16-15-19-9-3-2-4-10-19/h5-8,11-14,18-19H,2-4,9-10,15-17H2,1H3",BSQFBMXCQIKYNI-UHFFFAOYSA-N,C25H29NO2,375.5,375.2198292,6.3,31.2,501,0,0,2,7,28,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
VELPATASVIR,1377049-84-7,67683363,"methyl N-[(1R)-2-[(2S,4S)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate",C[C@H]1CC[C@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C2=NC3=C(N2)C=CC4=CC5=C(C=C43)OCC6=C5C=CC(=C6)C7=CN=C(N7)[C@@H]8C[C@@H](CN8C(=O)[C@@H](C9=CC=CC=C9)NC(=O)OC)COC,"InChI=1S/C49H54N8O8/c1-26(2)41(54-48(60)63-5)47(59)57-27(3)12-17-38(57)45-51-36-16-14-30-20-35-33-15-13-31(19-32(33)25-65-40(35)21-34(30)43(36)53-45)37-22-50-44(52-37)39-18-28(24-62-4)23-56(39)46(58)42(55-49(61)64-6)29-10-8-7-9-11-29/h7-11,13-16,19-22,26-28,38-39,41-42H,12,17-18,23-25H2,1-6H3,(H,50,52)(H,51,53)(H,54,60)(H,55,61)/t27-,28-,38-,39-,41-,42+/m0/s1",FHCUMDQMBHQXKK-CDIODLITSA-N,C49H54N8O8,883,882.4064607,6.2,193,1690,0,4,10,13,65,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperazinium, 1,1-dimethyl-4-phenyl-, iodide",54-77-3,5911,"1,1-dimethyl-4-phenylpiperazin-1-ium iodide",C[N+]1(CCN(CC1)C2=CC=CC=C2)C.[I-],"InChI=1S/C12H19N2.HI/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12;/h3-7H,8-11H2,1-2H3;1H/q+1;/p-1",XFZJGFIKQCCLGK-UHFFFAOYSA-M,C12H19IN2,318.2,318.0593,,3.2,173,0,0,2,1,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Ammonium, (m-hydroxyphenyl)trimethyl-, bromide, decamethylenebis(methylcarbamate)",56-94-0,5965,trimethyl-[3-[methyl-[10-[methyl-[3-(trimethylazaniumyl)phenoxy]carbonylamino]decyl]carbamoyl]oxyphenyl]azanium dibromide,CN(CCCCCCCCCCN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C)C(=O)OC2=CC=CC(=C2)[N+](C)(C)C.[Br-].[Br-],"InChI=1S/C32H52N4O4.2BrH/c1-33(31(37)39-29-21-17-19-27(25-29)35(3,4)5)23-15-13-11-9-10-12-14-16-24-34(2)32(38)40-30-22-18-20-28(26-30)36(6,7)8;;/h17-22,25-26H,9-16,23-24H2,1-8H3;2*1H/q+2;;/p-2",YHKBUDZECQDYBR-UHFFFAOYSA-L,C32H52Br2N4O4,716.6,716.23348,,59.1,686,0,0,6,17,42,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Solanid-5-en-3-beta-ol,80-78-4,65727,"(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol",C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C,"InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1",JVKYZPBMZPJNAJ-OQFNDJACSA-N,C27H43NO,397.6,397.334465,6.1,23.5,715,0,1,2,0,29,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Coumarin, 3-(alpha-acetonylfurfuryl)-4-hydroxy-",117-52-2,54689800,3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one,CC(=O)CC(C1=CC=CO1)C2=C(C3=CC=CC=C3OC2=O)O,"InChI=1S/C17H14O5/c1-10(18)9-12(13-7-4-8-21-13)15-16(19)11-5-2-3-6-14(11)22-17(15)20/h2-8,12,19H,9H2,1H3",JFIXKFSJCQNGEK-UHFFFAOYSA-N,C17H14O5,298.29,298.0841235,1.8,76.7,495,0,1,5,4,22,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Resorcinol, 2,4-dinitroso-",118-02-5,135436540,"(2E,6E)-2,6-bis(hydroxyimino)cyclohex-4-ene-1,3-dione",C\1=CC(=O)/C(=N\O)/C(=O)/C1=N/O,"InChI=1S/C6H4N2O4/c9-4-2-1-3(7-11)6(10)5(4)8-12/h1-2,11-12H/b7-3+,8-5+",GRFONTIAJGGAHL-IUMFQGNOSA-N,C6H4N2O4,168.11,168.0171066,0.4,99.3,326,0,2,6,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Acetamide, 2,2'-((2-hydroxyethyl)imino)bis(N-(alpha,alpha-dimethylphenethyl)-N-methyl-",126-27-2,4621,2-[2-hydroxyethyl-[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-methyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide,CC(C)(CC1=CC=CC=C1)N(C)C(=O)CN(CCO)CC(=O)N(C)C(C)(C)CC2=CC=CC=C2,"InChI=1S/C28H41N3O3/c1-27(2,19-23-13-9-7-10-14-23)29(5)25(33)21-31(17-18-32)22-26(34)30(6)28(3,4)20-24-15-11-8-12-16-24/h7-16,32H,17-22H2,1-6H3",FTLDJPRFCGDUFH-UHFFFAOYSA-N,C28H41N3O3,467.6,467.3147922,3.8,64.1,585,0,1,4,12,34,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"o-Veratric acid, 6-((6-(2-(dimethylamino)ethyl)-2-methoxy-3,4-(methylenedioxy)phenyl)acetyl)-",131-28-2,8564,"6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid",CN(C)CCC1=CC2=C(C(=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)O)OC)OCO2,"InChI=1S/C23H27NO8/c1-24(2)9-8-13-10-18-22(32-12-31-18)20(29-4)15(13)11-16(25)14-6-7-17(28-3)21(30-5)19(14)23(26)27/h6-7,10H,8-9,11-12H2,1-5H3,(H,26,27)",DEXMFYZAHXMZNM-UHFFFAOYSA-N,C23H27NO8,445.5,445.1736668,0.5,104,643,0,1,9,10,32,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4-Oxadiazole, 5-(2-(diethylamino)ethyl)-3-(alpha-ethylbenzyl)-, citrate",132-35-4,8589,"N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid",CCC(C1=CC=CC=C1)C2=NOC(=N2)CCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O,"InChI=1S/C17H25N3O.C6H8O7/c1-4-15(14-10-8-7-9-11-14)17-18-16(21-19-17)12-13-20(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-11,15H,4-6,12-13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",WFAULHLDTDDABL-UHFFFAOYSA-N,C23H33N3O8,479.5,479.226765,,174,505,0,4,11,13,34,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"Aniline, N-(5-nitrofurfurylidene)-",156-44-5,9077,1-(5-nitrofuran-2-yl)-N-phenylmethanimine,C1=CC=C(C=C1)N=CC2=CC=C(O2)[N+](=O)[O-],InChI=1S/C11H8N2O3/c14-13(15)11-7-6-10(16-11)8-12-9-4-2-1-3-5-9/h1-8H,OQWZYCADSKTIOH-UHFFFAOYSA-N,C11H8N2O3,216.19,216.0534921,1.9,71.3,269,0,0,4,2,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,5-Dioxaspiro(2.5)octane",185-75-1,160440,"1,7-dioxaspiro[2.5]octane",C1CC2(COC1)CO2,InChI=1S/C6H10O2/c1-2-6(5-8-6)4-7-3-1/h1-5H2,ASMCYZCLGKOSEL-UHFFFAOYSA-N,C6H10O2,114.14,114.0680796,0.1,21.8,103,0,0,2,0,8,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrrolo(2,3-c)pyridine",271-29-4,9219,"1H-pyrrolo[2,3-c]pyridine",C1=CNC2=C1C=CN=C2,"InChI=1S/C7H6N2/c1-3-8-5-7-6(1)2-4-9-7/h1-5,9H",XLKDJOPOOHHZAN-UHFFFAOYSA-N,C7H6N2,118.14,118.0530982,1,28.7,103,0,1,1,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dibenzyl-",350-12-9,67686,"3,5-dibenzyl-1,3,5-thiadiazinane-2-thione",C1N(CSC(=S)N1CC2=CC=CC=C2)CC3=CC=CC=C3,"InChI=1S/C17H18N2S2/c20-17-19(12-16-9-5-2-6-10-16)13-18(14-21-17)11-15-7-3-1-4-8-15/h1-10H,11-14H2",QFVAWNPSRQWSDU-UHFFFAOYSA-N,C17H18N2S2,314.5,314.0911409,4.3,63.9,336,0,0,3,4,21,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Seneciphylline,480-81-9,5281750,"(1R,4Z,7R,17R)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione",C/C=C\1/CC(=C)[C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O,"InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15-,18-/m1/s1",FCEVNJIUIMLVML-QPSVUOIXSA-N,C18H23NO5,333.4,333.1576228,0.7,76.1,650,0,1,6,0,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 3-(1-methyl-2-pyrrolyl)-",487-19-4,10249,3-(1-methylpyrrol-2-yl)pyridine,CN1C=CC=C1C2=CN=CC=C2,"InChI=1S/C10H10N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-8H,1H3",RYFOJXFXERAMLS-UHFFFAOYSA-N,C10H10N2,158.2,158.0843983,1.3,17.8,147,0,0,1,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Cyclobutanedicarboxylic acid, 2,4-diphenyl-, (1-alpha,2-alpha,3-beta,4-beta)-",490-20-0,78213,"2,4-diphenylcyclobutane-1,3-dicarboxylic acid",C1=CC=C(C=C1)C2C(C(C2C(=O)O)C3=CC=CC=C3)C(=O)O,"InChI=1S/C18H16O4/c19-17(20)15-13(11-7-3-1-4-8-11)16(18(21)22)14(15)12-9-5-2-6-10-12/h1-10,13-16H,(H,19,20)(H,21,22)",QWFRRFLKWRIKSZ-UHFFFAOYSA-N,C18H16O4,296.3,296.104859,2.6,74.6,369,0,2,4,4,22,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Furanmethanediamine, N,N'-difurfurylidene-",494-47-3,9570073,(E)-1-(furan-2-yl)-N-[furan-2-yl-[(E)-furan-2-ylmethylideneamino]methyl]methanimine,C1=COC(=C1)/C=N/C(/N=C/C2=CC=CO2)C3=CC=CO3,"InChI=1S/C15H12N2O3/c1-4-12(18-7-1)10-16-15(14-6-3-9-20-14)17-11-13-5-2-8-19-13/h1-11,15H/b16-10+,17-11+",CYGDSXFTXXFMNI-OTYYAQKOSA-N,C15H12N2O3,268.27,268.0847923,2.6,64.1,333,0,0,5,5,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3,2-Dithiarsolane-4-methanol, 2-(4-((4,6-diamino-1,3,5-triazin-2-yl)amino)phenyl)-",494-79-1,10311,"[2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol",C1C(S[As](S1)C2=CC=C(C=C2)NC3=NC(=NC(=N3)N)N)CO,"InChI=1S/C12H15AsN6OS2/c14-10-17-11(15)19-12(18-10)16-8-3-1-7(2-4-8)13-21-6-9(5-20)22-13/h1-4,9,20H,5-6H2,(H5,14,15,16,17,18,19)",JCYZMTMYPZHVBF-UHFFFAOYSA-N,C12H15AsN6OS2,398.3,397.996471,,174,353,0,4,9,4,22,,,1,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Glucopyranose, 1-thio-, 1-hydrocinnamohydroximate NO-(hydrogen sulfate), beta-D-",499-30-9,656555,"[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-phenyl-N-sulfooxypropanimidothioate",C1=CC=C(C=C1)CCC(=NOS(=O)(=O)O)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,"InChI=1S/C15H21NO9S2/c17-8-10-12(18)13(19)14(20)15(24-10)26-11(16-25-27(21,22)23)7-6-9-4-2-1-3-5-9/h1-5,10,12-15,17-20H,6-8H2,(H,21,22,23)/t10-,12-,13+,14-,15+/m1/s1",CKIJIGYDFNXSET-LFHLZQBKSA-N,C15H21NO9S2,423.5,423.0657736,0.1,200,589,0,5,11,8,27,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (2S)-",529-55-5,92794,"(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one",C1[C@H](OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC=C(C=C4)O,"InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1",DLIKSSGEMUFQOK-SFTVRKLSSA-N,C21H22O10,434.4,434.1212969,0.6,166,623,0,6,10,4,31,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Con-5-enine, 3-beta-(dimethylamino)-",546-06-5,441082,"(1R,2S,5S,6S,9R,12S,13R,16S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine",C[C@H]1[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)N(C)C)C)CN1C,"InChI=1S/C24H40N2/c1-16-20-8-9-22-19-7-6-17-14-18(25(3)4)10-12-23(17,2)21(19)11-13-24(20,22)15-26(16)5/h6,16,18-22H,7-15H2,1-5H3/t16-,18-,19+,20+,21-,22-,23-,24-/m0/s1",GPLGAQQQNWMVMM-MYAJQUOBSA-N,C24H40N2,356.6,356.3191493,4.9,6.5,609,0,0,2,1,26,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Indeno(2,1-c)pyridine, 2,3,4,9-tetrahydro-2-methyl-9-phenyl-, (R-(R*,R*)-2,3-dihydroxybutanedioate (1:1)",569-59-5,11290,"(2R,3R)-2,3-dihydroxybutanedioic acid;2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine",CN1CCC2=C(C1)C(C3=CC=CC=C23)C4=CC=CC=C4.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C19H19N.C4H6O6/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14;5-1(3(7)8)2(6)4(9)10/h2-10,19H,11-13H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1",WFXURHIXPXVPGM-LREBCSMRSA-N,C23H25NO6,411.4,411.1681875,,118,524,0,4,7,4,30,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"1-Cyclohexene-1-carboxylic acid, 2-(2,4-dihydroxyphenyl)-, delta-lactone, O-ester with O,O-diethyl phosphorothioate",572-48-5,11307,"3-diethoxyphosphinothioyloxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one",CCOP(=S)(OCC)OC1=CC2=C(C=C1)C3=C(CCCC3)C(=O)O2,"InChI=1S/C17H21O5PS/c1-3-19-23(24,20-4-2)22-12-9-10-14-13-7-5-6-8-15(13)17(18)21-16(14)11-12/h9-11H,3-8H2,1-2H3",NSMRHYDOKZAMKJ-UHFFFAOYSA-N,C17H21O5PS,368.4,368.0847319,4.7,86.1,551,0,0,6,6,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzophenone, phenylhydrazone",574-61-8,68456,N-(benzhydrylideneamino)aniline,C1=CC=C(C=C1)C(=NNC2=CC=CC=C2)C3=CC=CC=C3,"InChI=1S/C19H16N2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)21-20-18-14-8-3-9-15-18/h1-15,20H",LJPHROJMJFFANK-UHFFFAOYSA-N,C19H16N2,272.3,272.1313485,5.4,24.4,298,0,1,2,4,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-(beta-D-glucopyranosyloxy)-3,5,7-trihydroxy-",652-78-8,5281621,"2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one",C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O,"InChI=1S/C21H20O13/c22-5-11-13(27)15(29)17(31)21(32-11)34-19-10(26)4-9(25)12-14(28)16(30)18(33-20(12)19)6-1-2-7(23)8(24)3-6/h1-4,11,13,15,17,21-27,29-31H,5H2/t11-,13-,15+,17-,21+/m1/s1",SJRXVLUZMMDCNG-KKPQBLLMSA-N,C21H20O13,480.4,480.0903907,0,227,789,0,9,13,4,34,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Diazaspiro(4.4)nonane-2,4-dione",699-51-4,94745,"1,3-diazaspiro[4.4]nonane-2,4-dione",C1CCC2(C1)C(=O)NC(=O)N2,"InChI=1S/C7H10N2O2/c10-5-7(3-1-2-4-7)9-6(11)8-5/h1-4H2,(H2,8,9,10,11)",JTTFXYHJDZZDQK-UHFFFAOYSA-N,C7H10N2O2,154.17,154.0742276,0,58.2,218,0,2,2,0,11,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Indole-2,3-dione, 1-phenyl-",723-89-7,12884,"1-phenylindole-2,3-dione",C1=CC=C(C=C1)N2C3=CC=CC=C3C(=O)C2=O,InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)15(14(13)17)10-6-2-1-3-7-10/h1-9H,UWCPWBIMRYXUOU-UHFFFAOYSA-N,C14H9NO2,223.23,223.0633285,2.1,37.4,333,0,0,2,1,17,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperidine, 1-benzoyl-",776-75-0,69892,phenyl(piperidin-1-yl)methanone,C1CCN(CC1)C(=O)C2=CC=CC=C2,"InChI=1S/C12H15NO/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-10H2",YXTROGRGRSPWKL-UHFFFAOYSA-N,C12H15NO,189.25,189.1153641,2.2,20.3,190,0,0,1,1,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Barbituric acid, 1-cyclohexyl-5-ethyl-",837-32-1,13276,"1-cyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione",CCC1C(=O)NC(=O)N(C1=O)C2CCCCC2,"InChI=1S/C12H18N2O3/c1-2-9-10(15)13-12(17)14(11(9)16)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,13,15,17)",WCCUCVYMWMWXAG-UHFFFAOYSA-N,C12H18N2O3,238.28,238.1317424,2,66.5,348,0,1,3,2,17,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2(3H)-Furanone, 4,5-dihydro-5-phenyl-",1008-76-0,13884,5-phenyloxolan-2-one,C1CC(=O)OC1C2=CC=CC=C2,"InChI=1S/C10H10O2/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2",AEUULUMEYIPECD-UHFFFAOYSA-N,C10H10O2,162.18,162.0680796,1.7,26.3,171,0,0,2,1,12,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Benzimidazolinone, hexahydro-",1123-97-3,101982,"1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-one",C1CCC2C(C1)NC(=O)N2,"InChI=1S/C7H12N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h5-6H,1-4H2,(H2,8,9,10)",RWIIUBCMPVZLBA-UHFFFAOYSA-N,C7H12N2O,140.18,140.094963,0.5,41.1,142,0,2,1,0,10,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzimidazole, 1-(p-chlorobenzyl)-2-(1-pyrrolidinylmethyl)-, monohydrochloride",1163-36-6,5309446,1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydrochloride,C1CCN(C1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl.Cl,"InChI=1S/C19H20ClN3.ClH/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22;/h1-2,5-10H,3-4,11-14H2;1H",DNFMJYXRIMLMBZ-UHFFFAOYSA-N,C19H21Cl2N3,362.3,361.1112531,,21.1,377,0,1,2,4,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3H-1,2-Dithiole-3-one, 4,5-dichloro-",1192-52-5,14503,"4,5-dichlorodithiol-3-one",C1(=C(SSC1=O)Cl)Cl,InChI=1S/C3Cl2OS2/c4-1-2(5)7-8-3(1)6,QGSRKGWCQSATCL-UHFFFAOYSA-N,C3Cl2OS2,187.1,185.8767624,2.2,67.7,165,0,0,3,0,8,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"delta(sup 2)-1,3,4-Oxadiazolin-5-one, 2-phenyl-",1199-02-6,352208,"5-phenyl-3H-1,3,4-oxadiazol-2-one",C1=CC=C(C=C1)C2=NNC(=O)O2,"InChI=1S/C8H6N2O2/c11-8-10-9-7(12-8)6-4-2-1-3-5-6/h1-5H,(H,10,11)",RFJQGIYJJLWZJP-UHFFFAOYSA-N,C8H6N2O2,162.15,162.0429274,1.4,50.7,219,0,1,3,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzoic acid, o-(p-(2-piperidinoethoxy)benzoyl)-, methyl ester, hydrochloride",1248-42-6,121097,methyl 2-[4-(2-piperidin-1-ylethoxy)benzoyl]benzoate;hydrochloride,COC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)OCCN3CCCCC3.Cl,"InChI=1S/C22H25NO4.ClH/c1-26-22(25)20-8-4-3-7-19(20)21(24)17-9-11-18(12-10-17)27-16-15-23-13-5-2-6-14-23;/h3-4,7-12H,2,5-6,13-16H2,1H3;1H",ZRFIFDFEDPJBII-UHFFFAOYSA-N,C22H26ClNO4,403.9,403.155036,,55.8,481,0,1,5,8,28,,,0,0,0,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-16-methylene-, (11-beta)-",1255-35-2,9980241,"[2-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-16-methylidene-3-oxo-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate",CC(=O)OCC(=O)[C@]1(C(=C)C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)O,"InChI=1S/C24H29FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,17-19,28,30H,1,5-6,9,11-12H2,2-4H3/t17-,18-,19-,21-,22-,23-,24-/m0/s1",DEFOZIFYUBUHHU-IYQKUMFPSA-N,C24H29FO6,432.5,432.1948168,2.3,101,952,0,2,7,4,31,,,0,0,0,0,0,0,1,0,0,0,0,0,0,1,1,0,0,1,0,0
"Benzenepropanoic acid, beta-(dimethylamino)-alpha-hydroxy-, 2,13-bis(acetyloxy)-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxotricyclo(9.3.1.1(sup 4,8))hexadeca-3,11-dien-5-yl ester, (1S,2R,3E,5S-(alpha-R,beta-S),7S,8S,10R,13S)-",1361-49-5,5281829,"[(1R,2S,3E,5S,7S,8S,10R,13S)-2,13-diacetyloxy-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxo-5-tricyclo[9.3.1.14,8]hexadeca-3,11-dienyl] (2R,3S)-3-(dimethylamino)-2-hydroxy-3-phenylpropanoate",CC1=C2[C@H](C(=O)[C@]3(C/C(=C\[C@@H]([C@@H](C2(C)C)C[C@@H]1OC(=O)C)OC(=O)C)/[C@H](C[C@@H]3O)OC(=O)[C@@H]([C@H](C4=CC=CC=C4)N(C)C)O)C)O,"InChI=1S/C35H47NO10/c1-18-24(44-19(2)37)15-23-26(45-20(3)38)14-22-17-35(6,32(42)30(40)28(18)34(23,4)5)27(39)16-25(22)46-33(43)31(41)29(36(7)8)21-12-10-9-11-13-21/h9-14,23-27,29-31,39-41H,15-17H2,1-8H3/b22-14+/t23-,24-,25-,26-,27-,29-,30+,31+,35-/m0/s1",KOTXAHKUCAQPQA-MCBQMXOVSA-N,C35H47NO10,641.7,641.3199967,1.6,160,1260,0,3,11,10,46,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"19-Nor-9-beta,10-alpha-lanosta-1,5,23-triene-3,11,22-trione, 2-(beta-D-glucopyranosyloxy)-9-methyl-16-alpha,20,25-trihydroxy-, 25-acetate",1398-78-3,54584209,"[(E,6R)-6-hydroxy-6-[(8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxohept-3-en-2-yl] acetate",CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C)O)O,"InChI=1S/C38H54O13/c1-18(40)51-33(2,3)13-12-25(42)38(9,48)30-21(41)15-35(6)24-11-10-19-20(37(24,8)26(43)16-36(30,35)7)14-22(31(47)34(19,4)5)49-32-29(46)28(45)27(44)23(17-39)50-32/h10,12-14,20-21,23-24,27-30,32,39,41,44-46,48H,11,15-17H2,1-9H3/b13-12+/t20-,21-,23-,24+,27-,28+,29-,30+,32-,35+,36-,37+,38+/m1/s1",QKEJRKXVLGOJMB-YYBMGDPWSA-N,C38H54O13,718.8,718.3564418,1.4,217,1580,0,6,13,9,51,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Butyrophenone, 4'-fluoro-4-(4-(2-pyridyl)-1-piperazinyl)-",1649-18-9,15443,1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one,C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=N3,"InChI=1S/C19H22FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10H,3-4,11-15H2",XTKDAFGWCDAMPY-UHFFFAOYSA-N,C19H22FN3O,327.4,327.1746905,3.3,36.4,390,0,0,5,6,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,3-Indandione, 2-(1-naphthyl)-",1786-03-4,120570,"2-naphthalen-1-ylindene-1,3-dione",C1=CC=C2C(=C1)C=CC=C2C3C(=O)C4=CC=CC=C4C3=O,"InChI=1S/C19H12O2/c20-18-15-9-3-4-10-16(15)19(21)17(18)14-11-5-7-12-6-1-2-8-13(12)14/h1-11,17H",CVLPPWGDNNZTRW-UHFFFAOYSA-N,C19H12O2,272.3,272.0837296,4.1,34.1,417,0,0,2,1,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Camphorimide,3/8/72,16077,"1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione",CC1(C2CCC1(C(=O)NC2=O)C)C,"InChI=1S/C10H15NO2/c1-9(2)6-4-5-10(9,3)8(13)11-7(6)12/h6H,4-5H2,1-3H3,(H,11,12,13)",NRQVXWNPFZZDMQ-UHFFFAOYSA-N,C10H15NO2,181.23,181.1102787,1.2,46.2,295,0,1,2,0,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,3,4-Oxadiazole-2-ol, 5-(5-nitro-2-furyl)-",2122-86-3,16463,"5-(5-nitrofuran-2-yl)-3H-1,3,4-oxadiazol-2-one",C1=C(OC(=C1)[N+](=O)[O-])C2=NNC(=O)O2,"InChI=1S/C6H3N3O5/c10-6-8-7-5(14-6)3-1-2-4(13-3)9(11)12/h1-2H,(H,8,10)",OWDANLZJJOCPBK-UHFFFAOYSA-N,C6H3N3O5,197.11,197.0072702,1,110,309,0,1,6,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2,5-Pyrrolidinedione, 1-(phenylmethyl)-",6/5/42,95241,"1-benzylpyrrolidine-2,5-dione",C1CC(=O)N(C1=O)CC2=CC=CC=C2,"InChI=1S/C11H11NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2",IONNJVQITCVNHK-UHFFFAOYSA-N,C11H11NO2,189.21,189.0789786,0.6,37.4,228,0,0,2,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Cyclopentapyrimidine-2,4(3H,5H)-dione, 6,7-dihydro-3-cyclohexyl-",8/1/64,16559,"3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione",C1CCC(CC1)N2C(=O)C3=C(CCC3)NC2=O,"InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)",ZTMKADLOSYKWCA-UHFFFAOYSA-N,C13H18N2O2,234.29,234.1368278,1.7,49.4,394,0,1,2,1,17,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2-beta,3-beta,4-beta,5-alpha,12-beta,19-alpha)-",2182-14-1,260535,"methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate",CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=C4C=CC(=C5)OC)C,"InChI=1S/C25H32N2O6/c1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-16(31-4)14-18(17)26(3)20(24)25(30,22(29)32-5)21(23)33-15(2)28/h7-10,14,19-21,30H,6,11-13H2,1-5H3/t19-,20+,21+,23+,24+,25-/m0/s1",CXBGOBGJHGGWIE-ACSXSLCXSA-N,C25H32N2O6,456.5,456.2260367,1.3,88.5,864,0,1,8,6,33,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Guanidine, ((3-(5-nitro-2-furyl)-1-(2-(5-nitro-2-furyl)vinyl)allylidene)amino)-,hydrochloride",2315-20-0,107975,"2-[1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylideneamino]guanidine;hydrochloride",C1=C(OC(=C1)[N+](=O)[O-])C=CC(=NN=C(N)N)C=CC2=CC=C(O2)[N+](=O)[O-].Cl,"InChI=1S/C14H12N6O6.ClH/c15-14(16)18-17-9(1-3-10-5-7-12(25-10)19(21)22)2-4-11-6-8-13(26-11)20(23)24;/h1-8H,(H4,15,16,18);1H",ZEGPTFVBNBCAHZ-UHFFFAOYSA-N,C14H13ClN6O6,396.74,396.0585098,,195,601,0,3,8,5,27,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Sulfanilamide, N(sup 1)-(6-methoxy-3-pyridazinyl)-, monosodium salt",2577-32-4,12790147,sodium (4-aminophenyl)sulfonyl-(6-methoxypyridazin-3-yl)azanide,COC1=NN=C(C=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)N.[Na+],"InChI=1S/C11H11N4O3S.Na/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9;/h2-7H,12H2,1H3;/q-1;+1",UMKFIJKKXUZOJY-UHFFFAOYSA-N,C11H11N4NaO3S,302.29,302.0449557,,105,382,0,1,7,4,20,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
11H-Benzo(b)fluoren-11-one,3/1/74,18311,benzo[b]fluoren-11-one,C1=CC=C2C=C3C(=CC2=C1)C4=CC=CC=C4C3=O,InChI=1S/C17H10O/c18-17-14-8-4-3-7-13(14)15-9-11-5-1-2-6-12(11)10-16(15)17/h1-10H,MLMNDNOSVOKYMT-UHFFFAOYSA-N,C17H10O,230.26,230.0731649,4.8,17.1,348,0,0,1,0,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Cyclobuten-1-one, 2,3,4,4-tetrachloro-",3200-96-2,18545,"2,3,4,4-tetrachlorocyclobut-2-en-1-one",C1(=C(C(C1=O)(Cl)Cl)Cl)Cl,"InChI=1S/C4Cl4O/c5-1-2(6)4(7,8)3(1)9",NWDONRNKYCKRNT-UHFFFAOYSA-N,C4Cl4O,205.8,205.867375,2.7,17.1,205,0,0,1,0,9,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Formamide, N,N'-(dithiobis(2-(2-hydroxyethyl)-1-methylvinylene))bis(N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-, diisobutyrate (ester)",3286-46-2,3002120,[(E)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-(2-methylpropanoyloxy)pent-2-en-3-yl]disulfanyl]pent-3-enyl] 2-methylpropanoate,CC1=NC=C(C(=N1)N)CN(/C(=C(/SS/C(=C(/N(C=O)CC2=CN=C(N=C2N)C)\C)/CCOC(=O)C(C)C)\CCOC(=O)C(C)C)/C)C=O,"InChI=1S/C32H46N8O6S2/c1-19(2)31(43)45-11-9-27(21(5)39(17-41)15-25-13-35-23(7)37-29(25)33)47-48-28(10-12-46-32(44)20(3)4)22(6)40(18-42)16-26-14-36-24(8)38-30(26)34/h13-14,17-20H,9-12,15-16H2,1-8H3,(H2,33,35,37)(H2,34,36,38)/b27-21+,28-22+",CKHJPWQVLKHBIH-GPAWKIAZSA-N,C32H46N8O6S2,702.9,702.2981736,2.7,247,1050,0,2,14,19,48,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 4-amino-, 1-oxide",3535-75-9,19055,1-hydroxypyridin-4-imine,C1=CN(C=CC1=N)O,"InChI=1S/C5H6N2O/c6-5-1-3-7(8)4-2-5/h1-4,6,8H",SJQWWHFNDOUAGY-UHFFFAOYSA-N,C5H6N2O,110.11,110.0480128,-0.1,47.3,144,0,2,3,0,8,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 4-(3-mercapto-4-methyl-5-(4H-1,2,4-triazolyl))-",3652-32-2,738547,"4-methyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione",CN1C(=NNC1=S)C2=CC=NC=C2,"InChI=1S/C8H8N4S/c1-12-7(10-11-8(12)13)6-2-4-9-5-3-6/h2-5H,1H3,(H,11,13)",ACDUEIIMRXEFHO-UHFFFAOYSA-N,C8H8N4S,192.24,192.0469675,0.6,72.6,245,0,1,3,1,13,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-1-Benzopyran-4-one, 6-beta-D-glucopyranosyl-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (2S)-",3/9/82,160711,"(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one",C1[C@H](OC2=C(C1=O)C(=C(C(=C2)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C4=CC=C(C=C4)O,"InChI=1S/C21H22O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-4,6,12,14,17,19-23,25-29H,5,7H2/t12-,14+,17+,19-,20+,21-/m0/s1",QKPKGDDHOGIEOO-JVVVWQBKSA-N,C21H22O10,434.4,434.1212969,-0.1,177,638,0,7,10,3,31,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 2,2'-dithiodi-, 1,1'-dioxide",3696-28-4,3109,1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium,C1=CC=[N+](C(=C1)SSC2=CC=CC=[N+]2[O-])[O-],InChI=1S/C10H8N2O2S2/c13-11-7-3-1-5-9(11)15-16-10-6-2-4-8-12(10)14/h1-8H,ZHDBTKPXEJDTTQ-UHFFFAOYSA-N,C10H8N2O2S2,252.3,252.0027199,0.6,102,199,0,0,4,3,16,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Imidazoline, 2-((5,6,7,8-tetrahydro-1-naphthyl)amino)-, monohydrochloride",3715-90-0,443950,"N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride",C1CCC2=C(C1)C=CC=C2NC3=NCCN3.Cl,"InChI=1S/C13H17N3.ClH/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13;/h3,5,7H,1-2,4,6,8-9H2,(H2,14,15,16);1H",RZOXEODOFNEZRS-UHFFFAOYSA-N,C13H18ClN3,251.75,251.1189253,,36.4,274,0,3,1,2,17,,,0,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,0
"1H-1,5-Benzodiazepin-2-one, 2,3,4,5-tetrahydro-4-methyl-",1/9/67,19868,"2-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one",CC1CC(=O)NC2=CC=CC=C2N1,"InChI=1S/C10H12N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5,7,11H,6H2,1H3,(H,12,13)",BBPWQLMHOSRDMA-UHFFFAOYSA-N,C10H12N2O,176.21,176.094963,1.2,41.1,205,0,2,2,0,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"o-Cresol, alpha,alpha'-(hexamethylenedinitrilo)di-",4081-35-0,260228,2-[6-[(2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol,C1=CC=C(C(=C1)C=NCCCCCCN=CC2=CC=CC=C2O)O,"InChI=1S/C20H24N2O2/c23-19-11-5-3-9-17(19)15-21-13-7-1-2-8-14-22-16-18-10-4-6-12-20(18)24/h3-6,9-12,15-16,23-24H,1-2,7-8,13-14H2",DXVHKINVBJRBGQ-UHFFFAOYSA-N,C20H24N2O2,324.4,324.183778,3.5,65.2,348,0,2,4,9,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"p-Phenylenediamine, N,N'-dicyclohexyl-",4175-38-6,77836,"1-N,4-N-dicyclohexylbenzene-1,4-diamine",C1CCC(CC1)NC2=CC=C(C=C2)NC3CCCCC3,"InChI=1S/C18H28N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h11-16,19-20H,1-10H2",AIMXDOGPMWDCDF-UHFFFAOYSA-N,C18H28N2,272.4,272.2252489,5.5,24.1,231,0,2,2,4,20,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"5,5'-Bi-p-toluquinone",7/2/88,223827,"2-methyl-5-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)cyclohexa-2,5-diene-1,4-dione",CC1=CC(=O)C(=CC1=O)C2=CC(=O)C(=CC2=O)C,"InChI=1S/C14H10O4/c1-7-3-13(17)9(5-11(7)15)10-6-12(16)8(2)4-14(10)18/h3-6H,1-2H3",UKRBOJBKGKKYFW-UHFFFAOYSA-N,C14H10O4,242.23,242.0579088,0.5,68.3,568,0,0,4,1,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-",4431-01-0,5319022,"(3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1-one",CCC/C=C\1/C2=C(C=CCC2)C(=O)O1,"InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3/b11-8-",IQVQXVFMNOFTMU-FLIBITNWSA-N,C12H14O2,190.24,190.0993797,2.7,26.3,345,0,0,2,2,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Furan, 2,2'-(oxybis(methylene))bis-",4437-22-3,263034,2-(furan-2-ylmethoxymethyl)furan,C1=COC(=C1)COCC2=CC=CO2,"InChI=1S/C10H10O3/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h1-6H,7-8H2",YEQMNLGBLPBBNI-UHFFFAOYSA-N,C10H10O3,178.18,178.0629942,1.3,35.5,133,0,0,3,4,13,,101.00 °C. @ 2.00 mm Hg,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Piperidine, 1-methyl-3-(thioxanthen-9-ylmethyl)-",2/2/69,4167,1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine,CN1CCCC(C1)CC2C3=CC=CC=C3SC4=CC=CC=C24,"InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3",MJFJKKXQDNNUJF-UHFFFAOYSA-N,C20H23NS,309.5,309.1551209,4.9,28.5,349,0,0,2,2,22,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Norbornanone, 3-(morpholinomethyl)-",5025-07-0,98185,3-(morpholin-4-ylmethyl)bicyclo[2.2.1]heptan-2-one,C1CC2CC1C(C2=O)CN3CCOCC3,"InChI=1S/C12H19NO2/c14-12-10-2-1-9(7-10)11(12)8-13-3-5-15-6-4-13/h9-11H,1-8H2",JDICLBMHNUZBSA-UHFFFAOYSA-N,C12H19NO2,209.28,209.1415788,0.7,29.5,260,0,0,3,2,15,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Spiro(6H-4,9a-methanocyclopent(d)oxocin-6,3'-oxetane)-2,2'(1H)-dione, 4a-beta,5,6a,7,8,9-hexahydro-5,9a-dimethyl-1-alpha,5-beta,6a-beta,7-beta-tetrahydroxy-",5230-87-5,115121,"(1S,2R,4R,5R,6S,7R,8R,11R)-4,5,7,11-tetrahydroxy-2,7-dimethylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione",C[C@@H]1C[C@H]([C@]2([C@@]13C[C@H]([C@]([C@@]24COC4=O)(C)O)OC(=O)[C@@H]3O)O)O,"InChI=1S/C15H20O8/c1-6-3-7(16)15(21)13(6)4-8(23-10(18)9(13)17)12(2,20)14(15)5-22-11(14)19/h6-9,16-17,20-21H,3-5H2,1-2H3/t6-,7-,8-,9+,12+,13+,14+,15-/m1/s1",GEVWHIDSUOMVRI-QWNPAUMXSA-N,C15H20O8,328.31,328.1158176,-1.9,134,621,0,4,8,0,23,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2,2-dimethyl-5-oxo-4-phenyl-imidazolinyl)-3,3-dimethyl-7-oxo-, monopotassium salt",5321-32-4,23678597,"potassium (2S,5R,6R)-6-[(4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N3C(=O)[C@H](NC3(C)C)C4=CC=CC=C4)C(=O)[O-])C.[K+],"InChI=1S/C19H23N3O4S.K/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10;/h5-9,11-13,16,20H,1-4H3,(H,25,26);/q;+1/p-1/t11-,12-,13+,16-;/m1./s1",QRSPJBLLJXVPDD-XFAPPKAWSA-M,C19H22KN3O4S,427.6,427.0968089,,118,695,0,1,6,3,28,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Piperidine, 1,1'-carbonyldi-",5395-04-0,21493,di(piperidin-1-yl)methanone,C1CCN(CC1)C(=O)N2CCCCC2,InChI=1S/C11H20N2O/c14-11(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H2,SNOJOKOVTYPHMC-UHFFFAOYSA-N,C11H20N2O,196.29,196.1575633,1.4,23.6,173,0,0,1,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Phthalimide, N-((morpholinocarbonyl)methyl)-",5442-90-0,95006,"2-(2-morpholin-4-yl-2-oxoethyl)isoindole-1,3-dione",C1COCCN1C(=O)CN2C(=O)C3=CC=CC=C3C2=O,"InChI=1S/C14H14N2O4/c17-12(15-5-7-20-8-6-15)9-16-13(18)10-3-1-2-4-11(10)14(16)19/h1-4H,5-9H2",SFGYIUPSHSHZBW-UHFFFAOYSA-N,C14H14N2O4,274.27,274.0953569,0.1,66.9,407,0,0,4,2,20,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
p-Malonotoluidide,5469-94-3,95277,"N,N'-bis(4-methylphenyl)propanediamide",CC1=CC=C(C=C1)NC(=O)CC(=O)NC2=CC=C(C=C2)C,"InChI=1S/C17H18N2O2/c1-12-3-7-14(8-4-12)18-16(20)11-17(21)19-15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)",CIGKFIJIRVGTGE-UHFFFAOYSA-N,C17H18N2O2,282.34,282.1368278,3.9,58.2,320,0,2,2,4,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Sanguinarine, chloride",5578-73-4,68635,"24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(24),2,4(8),9,11,13,15,17(21),22-nonaene chloride",C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6.[Cl-],"InChI=1S/C20H14NO4.ClH/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21;/h2-8H,9-10H2,1H3;1H/q+1;/p-1",GIZKAXHWLRYMLE-UHFFFAOYSA-M,C20H14ClNO4,367.8,367.0611356,,40.8,530,0,0,5,0,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Spiro(cyclohexane-1,4'(1'H)-quinazoline)-2'(3'H)-thione, 5',6',7',8'-tetrahydro-",5579-43-1,793656,"spiro[1,3,5,6,7,8-hexahydroquinazoline-4,1'-cyclohexane]-2-thione",C1CCC2(CC1)C3=C(CCCC3)NC(=S)N2,"InChI=1S/C13H20N2S/c16-12-14-11-7-3-2-6-10(11)13(15-12)8-4-1-5-9-13/h1-9H2,(H2,14,15,16)",BNFUEZMEJGCGKN-UHFFFAOYSA-N,C13H20N2S,236.38,236.1347198,2.3,56.2,340,0,2,1,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hippuric acid, compd. with hexamethylenetetramine (1:1)",5714-73-8,21945,"2-benzamidoacetic acid;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane",C1N2CN3CN1CN(C2)C3.C1=CC=C(C=C1)C(=O)NCC(=O)O,"InChI=1S/C9H9NO3.C6H12N4/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;1-7-2-9-4-8(1)5-10(3-7)6-9/h1-5H,6H2,(H,10,13)(H,11,12);1-6H2",ROAIXOJGRFKICW-UHFFFAOYSA-N,C15H21N5O3,319.36,319.1644396,,79.4,282,0,2,7,3,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"Quinoline, 2-(1-piperazinyl)-, maleate (1:1)",5786-68-5,5702242,(Z)-but-2-enedioic acid;2-piperazin-1-ylquinoline,C1CN(CCN1)C2=NC3=CC=CC=C3C=C2.C(=C\C(=O)O)\C(=O)O,"InChI=1S/C13H15N3.C4H4O4/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16;5-3(6)1-2-4(7)8/h1-6,14H,7-10H2;1-2H,(H,5,6)(H,7,8)/b;2-1-",QYJJDHZHSCTBII-BTJKTKAUSA-N,C17H19N3O4,329.35,329.1375561,,103,344,0,3,7,3,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Equilin, benzoate",6030-80-4,111132,"[(9S,13S,14S)-13-methyl-17-oxo-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] benzoate",C[C@]12CC[C@H]3C(=CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5)[C@@H]1CCC2=O,"InChI=1S/C25H24O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8-10,15,20,22H,7,11-14H2,1H3/t20-,22+,25+/m1/s1",UIXFQXUDHNMOTI-KJWPAHLWSA-N,C25H24O3,372.5,372.1725446,4.7,43.4,673,0,0,3,3,28,,,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0
7-Oxabicyclo(4.1.0)hept-3-ene,6253-27-6,97341,7-oxabicyclo[4.1.0]hept-3-ene,C1C=CCC2C1O2,"InChI=1S/C6H8O/c1-2-4-6-5(3-1)7-6/h1-2,5-6H,3-4H2",QLQSJLSVPZCPPZ-UHFFFAOYSA-N,C6H8O,96.13,96.05751487,1.1,12.5,94,0,0,1,0,7,,,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,1,0,0,1
"2-Indolinone, 3-hydroxy-3-(2-pyridylmethyl)-",6299-00-9,22733,3-hydroxy-3-(pyridin-2-ylmethyl)-1H-indol-2-one,C1=CC=C2C(=C1)C(C(=O)N2)(CC3=CC=CC=N3)O,"InChI=1S/C14H12N2O2/c17-13-14(18,9-10-5-3-4-8-15-10)11-6-1-2-7-12(11)16-13/h1-8,18H,9H2,(H,16,17)",NGKGBFMNFGPGGV-UHFFFAOYSA-N,C14H12N2O2,240.26,240.0898776,1,62.2,334,0,2,3,2,18,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzene, 1,1'-(1,1-dimethyl-3-methylene-1,3-propanediyl)bis-",6362-80-7,80715,(2-methyl-4-phenylpent-4-en-2-yl)benzene,CC(C)(CC(=C)C1=CC=CC=C1)C2=CC=CC=C2,"InChI=1S/C18H20/c1-15(16-10-6-4-7-11-16)14-18(2,3)17-12-8-5-9-13-17/h4-13H,1,14H2,2-3H3",ZOKCNEIWFQCSCM-UHFFFAOYSA-N,C18H20,236.4,236.1565006,6,0,262,0,0,0,4,18,,,1,0,0,1,0,0,1,1,0,0,0,0,0,0,0,0,1,1,1,1
"Urea, N,N'-bis(diphenylmethyl)-",6744-64-5,201756,"1,3-dibenzhydrylurea",C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4,"InChI=1S/C27H24N2O/c30-27(28-25(21-13-5-1-6-14-21)22-15-7-2-8-16-22)29-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H,(H2,28,29,30)",ZZKRJFDSNNESMO-UHFFFAOYSA-N,C27H24N2O,392.5,392.1888634,5.7,41.1,417,0,2,1,6,30,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Carbazic acid, 3-(2-quinoxalinylmethylene)-, methyl ester, N(sup 1),N(sup 4)-dioxide",7/5/04,135403805,"methyl N-[(1,4-dioxidoquinoxaline-1,4-diium-2-yl)methylideneamino]carbamate",COC(=O)NN=CC1=[N+](C2=CC=CC=C2[N+](=C1)[O-])[O-],"InChI=1S/C11H10N4O4/c1-19-11(16)13-12-6-8-7-14(17)9-4-2-3-5-10(9)15(8)18/h2-7H,1H3,(H,13,16)",OVGGLBAWFMIPPY-UHFFFAOYSA-N,C11H10N4O4,262.22,262.0702048,-0.8,102,352,0,1,5,3,19,,,0,0,0,1,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0
"(1,4'-Bipiperidine)-4'-carboxamide, 1'-(3-(10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)-,dihydrochloride, monohydrate",3/8/75,11577221,"1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride",C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=CC=CC=C53)C(=O)N.Cl.Cl,"InChI=1S/C28H38N4O.2ClH/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32;;/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33);2*1H",NZZMVMMUNRNSMC-UHFFFAOYSA-N,C28H40Cl2N4O,519.5,518.2579173,,52.8,616,0,3,4,6,35,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Borrelidin,7184-60-3,6436801,"trans-(1R,2R)-2-[(2S,4E,6Z,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid",C[C@H]1C[C@H](C[C@@H]([C@H](/C(=C\C=C\C[C@H](OC(=O)C[C@@H]([C@H](C1)C)O)[C@@H]2CCC[C@H]2C(=O)O)/C#N)O)C)C,"InChI=1S/C28H43NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-15H2,1-4H3,(H,33,34)/b6-5+,21-8-/t17-,18+,19-,20-,22+,23+,24-,25-,27+/m0/s1",OJCKRNPLOZHAOU-UGKRXNSESA-N,C28H43NO6,489.6,489.3090381,5.6,128,827,0,3,7,2,35,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Hydantoin, 1-((5-(p-nitrophenyl)furfurylidene)amino)-",7261-97-4,6914273,"1-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione",C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-],"InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/b15-7+",OZOMQRBLCMDCEG-VIZOYTHASA-N,C14H10N4O5,314.25,314.0651194,1.7,121,524,0,1,6,3,23,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Dibenzo(a,c)cycloocten-6-ol, 5,6,7,8-tetrahydro-6,7-dimethyl-1,2 3,10,11,12-hexamethoxy-,stereoisomer",7432-28-2,3001664,"(9S,10S)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-9-ol",C[C@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C[C@]1(C)O)OC)OC)OC)OC)OC)OC,"InChI=1S/C24H32O7/c1-13-9-14-10-16(26-3)20(28-5)22(30-7)18(14)19-15(12-24(13,2)25)11-17(27-4)21(29-6)23(19)31-8/h10-11,13,25H,9,12H2,1-8H3/t13-,24-/m0/s1",YEFOAORQXAOVJQ-RZFZLAGVSA-N,C24H32O7,432.5,432.2148034,4,75.6,574,0,1,7,6,31,,,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cinchoninic acid, 2-(2-pyridyl)-",7491-86-3,609911,2-pyridin-2-ylquinoline,C1=CC=C2C(=C1)C=CC(=N2)C3=CC=CC=N3,InChI=1S/C14H10N2/c1-2-6-12-11(5-1)8-9-14(16-12)13-7-3-4-10-15-13/h1-10H,YQZGQXPHGLAEHA-UHFFFAOYSA-N,C14H10N2,206.24,206.0843983,3,25.8,229,0,0,2,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4,7,9b-Tetraazaphenalene, dodecahydro-",10553-85-2,98134,"2,6,10,13-tetrazatricyclo[7.3.1.05,13]tridecane",C1CNC2CCNC3N2C1NCC3,"InChI=1S/C9H18N4/c1-4-10-8-3-6-12-9-2-5-11-7(1)13(8)9/h7-12H,1-6H2",ZNJURNUHQCGRLX-UHFFFAOYSA-N,C9H18N4,182.27,182.1531466,-0.1,39.3,163,0,3,4,0,13,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Rhodanine, 3-benzyl-",10574-69-3,97673,"3-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one",C1C(=O)N(C(=S)S1)CC2=CC=CC=C2,"InChI=1S/C10H9NOS2/c12-9-7-14-10(13)11(9)6-8-4-2-1-3-5-8/h1-5H,6-7H2",ZFHVUMCTGGAWBM-UHFFFAOYSA-N,C10H9NOS2,223.3,223.0125563,2.3,77.7,249,0,0,3,2,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Morphinan-3,6-alpha-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-, dinicotinate (ester),monohydrochloride",12040-41-4,5491665,"[(4R,4aR,7S,7aR,12bS)-3-methyl-9-(pyridine-3-carbonyloxy)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] pyridine-3-carboxylate;hydrochloride",CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC(=O)C6=CN=CC=C6)O[C@H]3[C@H](C=C4)OC(=O)C7=CN=CC=C7.Cl,"InChI=1S/C29H25N3O5.ClH/c1-32-13-10-29-20-7-9-23(36-28(34)19-5-3-12-31-16-19)26(29)37-25-22(8-6-17(24(25)29)14-21(20)32)35-27(33)18-4-2-11-30-15-18;/h2-9,11-12,15-16,20-21,23,26H,10,13-14H2,1H3;1H/t20-,21+,23-,26-,29-;/m0./s1",LYSPLNOMQZTGCM-IOZAQTAYSA-N,C29H26ClN3O5,532,531.1560986,,90.9,943,0,1,8,6,38,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"Titanium, dichlorodi-pi-indenyl-",12113-02-9,202571,bis(5H-inden-5-ide);titanium(4+);dichloride,[CH-]1C=CC2=CC=CC2=C1.[CH-]1C=CC2=CC=CC2=C1.[Cl-].[Cl-].[Ti+4],InChI=1S/2C9H7.2ClH.Ti/c2*1-2-5-9-7-3-6-8(9)4-1;;;/h2*1-7H;2*1H;/q2*-1;;;+4/p-2,ISKWZMPUHSDEID-UHFFFAOYSA-L,C18H14Cl2Ti,349.1,347.995197,,0,84,0,0,4,0,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,2'(4'H)-dione, 5-(3-furanyl)-3',4,5,5',5'a,7',8',8'a-octahydro-8'-hydroxy-7'-methyl-, (3S,5S,5'aS,7'S,8'S,8'aR)-",12798-51-5,159529,"(1R,5'S,8S,9S,10S,11S)-5'-(furan-3-yl)-11-hydroxy-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione",C[C@@H]1[C@@H]([C@H]2C3=C(CCC[C@@H]3[C@@]14C[C@H](OC4=O)C5=COC=C5)C(=O)O2)O,"InChI=1S/C19H20O6/c1-9-15(20)16-14-11(17(21)25-16)3-2-4-12(14)19(9)7-13(24-18(19)22)10-5-6-23-8-10/h5-6,8-9,12-13,15-16,20H,2-4,7H2,1H3/t9-,12+,13+,15+,16-,19-/m1/s1",AONLJCCUYGGOSW-PJERILTQSA-N,C19H20O6,344.4,344.1259884,1.3,86,669,0,1,6,1,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
Trimethylene sulfoxide,13153-11-2,25747,thietane 1-oxide,C1CS(=O)C1,InChI=1S/C3H6OS/c4-5-2-1-3-5/h1-3H2,GINSRDSEEGBTJO-UHFFFAOYSA-N,C3H6OS,90.15,90.01393598,-0.6,36.3,53,0,0,2,0,5,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Bromofenoxim,13181-17-4,86287521,"2,6-dibromo-4-[(E)-(2,4-dinitrophenoxy)iminomethyl]phenol",C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O/N=C/C2=CC(=C(C(=C2)Br)O)Br,"InChI=1S/C13H7Br2N3O6/c14-9-3-7(4-10(15)13(9)19)6-16-24-12-2-1-8(17(20)21)5-11(12)18(22)23/h1-6,19H/b16-6+",XTFNPKDYCLFGPV-OMCISZLKSA-N,C13H7Br2N3O6,461.02,460.86811,3.3,133,485,0,1,7,3,24,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3-((benzylthio)methyl)-6-chloro-3,4-dihydro-,1,1-dioxide",13957-38-5,71864,"3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide",C1=CC=C(C=C1)CSCC2NC3=CC(=C(C=C3S(=O)(=O)N2)S(=O)(=O)N)Cl,"InChI=1S/C15H16ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7,15,18-19H,8-9H2,(H2,17,20,21)",ZUNJWRJEKCRIMZ-UHFFFAOYSA-N,C15H16ClN3O4S3,434,432.9991472,1.7,160,686,0,3,8,5,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cinchoninic acid, 2-(4-pyridyl)-",14228-23-0,26587,2-pyridin-4-ylquinoline-4-carboxylic acid,C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)O,"InChI=1S/C15H10N2O2/c18-15(19)12-9-14(10-5-7-16-8-6-10)17-13-4-2-1-3-11(12)13/h1-9H,(H,18,19)",IBXRRNLSWGROLA-UHFFFAOYSA-N,C15H10N2O2,250.25,250.0742276,2.3,63.1,328,0,1,4,2,19,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperazine, 1-(3-amino-4-pyridyl)-4-methyl-",14549-59-8,203473,4-(4-methylpiperazin-1-yl)pyridin-3-amine,CN1CCN(CC1)C2=C(C=NC=C2)N,"InChI=1S/C10H16N4/c1-13-4-6-14(7-5-13)10-2-3-12-8-9(10)11/h2-3,8H,4-7,11H2,1H3",UAJACUSQLFALEQ-UHFFFAOYSA-N,C10H16N4,192.26,192.1374965,0.1,45.4,177,0,1,4,1,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Piperidine, 2-imino-, hydrochloride",16011-96-4,85236,"2,3,4,5-tetrahydropyridin-6-amine;hydrochloride",C1CCN=C(C1)N.Cl,"InChI=1S/C5H10N2.ClH/c6-5-3-1-2-4-7-5;/h1-4H2,(H2,6,7);1H",ZHDTXTDHBRADLM-UHFFFAOYSA-N,C5H11ClN2,134.61,134.0610761,,38.4,86,0,2,1,0,8,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Phosphorodithioic acid, O,O-diethyl S-(5,6-dihydro-1,4-dioxin-2-yl) ester",16270-87-4,204418,"2,3-dihydro-1,4-dioxin-5-ylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane",CCOP(=S)(OCC)SC1=COCCO1,"InChI=1S/C8H15O4PS2/c1-3-11-13(14,12-4-2)15-8-7-9-5-6-10-8/h7H,3-6H2,1-2H3",BRKIRWVYJPUKQJ-UHFFFAOYSA-N,C8H15O4PS2,270.3,270.0149383,2.4,94.3,259,0,0,6,6,15,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Imidazole, 1-(2,3-epoxypropyl)-2-methyl-5-nitro-",16773-52-7,86063,2-methyl-5-nitro-1-(oxiran-2-ylmethyl)imidazole,CC1=NC=C(N1CC2CO2)[N+](=O)[O-],"InChI=1S/C7H9N3O3/c1-5-8-2-7(10(11)12)9(5)3-6-4-13-6/h2,6H,3-4H2,1H3",NLXRQOREXATYEE-UHFFFAOYSA-N,C7H9N3O3,183.16,183.0643912,0,76.2,218,0,0,4,2,13,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Isoindolinium, 2-methyl-2-phenyl-, iodide",16840-49-6,28105,"2-methyl-2-phenyl-1,3-dihydroisoindol-2-ium iodide",C[N+]1(CC2=CC=CC=C2C1)C3=CC=CC=C3.[I-],"InChI=1S/C15H16N.HI/c1-16(15-9-3-2-4-10-15)11-13-7-5-6-8-14(13)12-16;/h2-10H,11-12H2,1H3;1H/q+1;/p-1",UAQIEBKYFPGMNS-UHFFFAOYSA-M,C15H16IN,337.2,337.03275,,0,228,0,0,1,1,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Isoxazole(3,4-d)pyridazin-7(6H)-one, 3-methyl-4-phenyl-",17334-68-8,28482,"3-methyl-4-phenyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one",CC1=C2C(=NNC(=O)C2=NO1)C3=CC=CC=C3,"InChI=1S/C12H9N3O2/c1-7-9-10(8-5-3-2-4-6-8)13-14-12(16)11(9)15-17-7/h2-6H,1H3,(H,14,16)",YUQZAUWIHXYWKC-UHFFFAOYSA-N,C12H9N3O2,227.22,227.0694765,1.9,67.5,350,0,1,4,1,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-3,5-dihydroxy-2-(4-hydroxyphenyl)-",17353-03-6,5483905,"7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one",C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O,"InChI=1S/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,25+,26-,27+/m0/s1",ZEJXENDZTYVXDP-CSJHBIPPSA-N,C27H30O15,594.5,594.1584703,-0.4,245,985,0,9,15,6,42,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Isoquino(2,1-d)(1,4)benzodiazepine, 5,6,7,9,10,14b-hexahydro-2-chloro-5-methyl-",17617-11-7,28645,"2-chloro-5-methyl-7,9,10,14b-tetrahydro-6H-isoquinolino[2,1-d][1,4]benzodiazepine",CN1CCN2CCC3=CC=CC=C3C2C4=C1C=CC(=C4)Cl,"InChI=1S/C18H19ClN2/c1-20-10-11-21-9-8-13-4-2-3-5-15(13)18(21)16-12-14(19)6-7-17(16)20/h2-7,12,18H,8-11H2,1H3",VJIOOEKUNBUDGM-UHFFFAOYSA-N,C18H19ClN2,298.8,298.1236763,4,6.5,374,0,0,2,0,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Spirosta-5,25(27)-diene-1,3-diol, (1-beta,3-beta)-",17676-33-4,9910474,"(1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16R)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14,16-diol",C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4([C@@H](C[C@@H](C5)O)O)C)C)O[C@]16CCC(=C)CO6,"InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,16,18-24,28-29H,1,6-14H2,2-4H3/t16-,18+,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1",ALTRINCJVPIQNK-NHIXJPGBSA-N,C27H40O4,428.6,428.2926598,4.1,58.9,820,0,2,4,0,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"7H-Pyrazolo(3,4-d)-v-triazin-4-ol, 7-methyl-",18213-76-8,135495349,"7-methyl-3H-pyrazolo[5,4-d]triazin-4-one",CN1C2=C(C=N1)C(=O)NN=N2,"InChI=1S/C5H5N5O/c1-10-4-3(2-6-10)5(11)8-9-7-4/h2H,1H3,(H,7,8,11)",LORDCFNFXHSGFR-UHFFFAOYSA-N,C5H5N5O,151.13,151.0494098,0,71.6,215,0,1,4,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Butanoic acid, 3-methyl-, 4-((acetyloxy)methyl)-6,7a-dihydrospiro(cyclopenta(c)pyran-7(1H),2'-oxirane)-1,6-diyl ester, (1S-(1-alpha,6-alpha,7-beta,7a-alpha))-",18296-44-1,442436,"[(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-methylbutanoate",CC(C)CC(=O)O[C@H]1C=C2[C@@H]([C@@]13CO3)[C@@H](OC=C2COC(=O)C)OC(=O)CC(C)C,"InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1",BDIAUFOIMFAIPU-KVJIRVJXSA-N,C22H30O8,422.5,422.1940679,1.8,101,765,0,0,8,11,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,4-Triazolo(4,3-b)pyridazin-8-ol, 6-methyl-",18591-70-3,87709,"6-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-8-one",CC1=CC(=O)C2=NN=CN2N1,"InChI=1S/C6H6N4O/c1-4-2-5(11)6-8-7-3-10(6)9-4/h2-3,9H,1H3",VVQUAWREPHCLDH-UHFFFAOYSA-N,C6H6N4O,150.14,150.0541608,0.2,59.8,225,0,1,4,0,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Podocarpa-8,11,13-trien-15-oic acid, 13-isopropyl-7-oxo-",18684-55-4,29212,"(1R,4aS,10aR)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid",CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2=O)(C)C(=O)O)C,"InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1",MSWJSDLNPCSSNW-MISYRCLQSA-N,C20H26O3,314.4,314.1881947,4.5,54.4,511,0,1,3,2,23,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,3-Diazepin-2-one, hexahydro-",19055-93-7,29396,"1,3-diazepan-2-one",C1CCNC(=O)NC1,"InChI=1S/C5H10N2O/c8-5-6-3-1-2-4-7-5/h1-4H2,(H2,6,7,8)",RLFFWWKJSJOYMQ-UHFFFAOYSA-N,C5H10N2O,114.15,114.0793129,-0.1,41.1,82,0,2,1,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Solasonine,19121-58-5,119247,"(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol",C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)NC1,"InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1",QCTMYNGDIBTNSK-XEAAVONHSA-N,C45H73NO16,884.1,883.4929352,1.1,259,1630,0,10,17,8,62,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"4H-1-Benzopyran-4-one, 2-(4-(beta-D-glucopyranosyloxy)-3-hydroxyphenyl)-3,5,7-trihydroxy-",20229-56-5,5320844,"3,5,7-trihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one",C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,"InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-2-1-7(3-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1",OIUBYZLTFSLSBY-HMGRVEAOSA-N,C21H20O12,464.4,464.0954761,0.4,207,758,0,8,12,4,33,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Germacra-1(10),11(13)-dien-12-oic acid, 4,5-alpha-epoxy-6-beta-hydroxy-, gamma-lactone",20554-84-1,6473881,"(1S,2S,4R,7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one",C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C,"InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13-,15+/m0/s1",KTEXNACQROZXEV-SLXBATTESA-N,C15H20O3,248.32,248.1412445,2.3,38.8,437,0,0,3,0,18,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0
"Acetic acid, bis(p-chlorophenoxy)-, 1-methyl-4-piperidyl ester",22204-91-7,31060,"(1-methylpiperidin-4-yl) 2,2-bis(4-chlorophenoxy)acetate",CN1CCC(CC1)OC(=O)C(OC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl,"InChI=1S/C20H21Cl2NO4/c1-23-12-10-18(11-13-23)25-19(24)20(26-16-6-2-14(21)3-7-16)27-17-8-4-15(22)5-9-17/h2-9,18,20H,10-13H2,1H3",QDGIAPPCJRFVEK-UHFFFAOYSA-N,C20H21Cl2NO4,410.3,409.0847635,5.5,48,433,0,0,5,7,27,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenepropanimidic acid, N,N'-1,6-hexanediylbis(3,5-bis(1,1-dimethylethyl)-4-hydroxy-",23128-74-7,90004,"3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]hexyl]propanamide",CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NCCCCCCNC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C,"InChI=1S/C40H64N2O4/c1-37(2,3)29-23-27(24-30(35(29)45)38(4,5)6)17-19-33(43)41-21-15-13-14-16-22-42-34(44)20-18-28-25-31(39(7,8)9)36(46)32(26-28)40(10,11)12/h23-26,45-46H,13-22H2,1-12H3,(H,41,43)(H,42,44)",OKOBUGCCXMIKDM-UHFFFAOYSA-N,C40H64N2O4,636.9,636.4866085,10,98.7,811,0,4,4,17,46,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cevane-3,6,20-triol, (3-beta,5-alpha,6-alpha)-",23496-41-5,131900,"(1R,2S,6S,9S,10S,11S,14S,15S,17S,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol",C[C@H]1CC[C@H]2[C@@]([C@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4C[C@@H]([C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)(C)O,"InChI=1S/C27H45NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-,22-,23+,24-,25-,26+,27-/m0/s1",IUKLSMSEHKDIIP-BZMYINFQSA-N,C27H45NO3,431.7,431.3399443,4.1,63.9,715,0,3,4,0,31,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzothiazole, 2-(3,5-dimethyl-1-pyrazolyl)-",23615-60-3,32030,"2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazole",CC1=CC(=NN1C2=NC3=CC=CC=C3S2)C,"InChI=1S/C12H11N3S/c1-8-7-9(2)15(14-8)12-13-10-5-3-4-6-11(10)16-12/h3-7H,1-2H3",QIVHQZNEFYWQJH-UHFFFAOYSA-N,C12H11N3S,229.3,229.0673685,3.5,59,261,0,0,3,1,16,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"p-Toluidine, N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-alpha,alpha,alpha-trifluoro-",26399-36-0,33500,"N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline",CCCN(CC1CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],"InChI=1S/C14H16F3N3O4/c1-2-5-18(8-9-3-4-9)13-11(19(21)22)6-10(14(15,16)17)7-12(13)20(23)24/h6-7,9H,2-5,8H2,1H3",ITVQAKZNYJEWKS-UHFFFAOYSA-N,C14H16F3N3O4,347.29,347.1092905,5.2,94.9,449,0,0,8,5,24,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"1,10-Phenanthroline-5,6-dione",27318-90-7,72810,"1,10-phenanthroline-5,6-dione",C1=CC2=C(C3=C(C=CC=N3)C(=O)C2=O)N=C1,InChI=1S/C12H6N2O2/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10/h1-6H,KCALAFIVPCAXJI-UHFFFAOYSA-N,C12H6N2O2,210.19,210.0429274,0.5,59.9,297,0,0,4,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 4-(4-aminopyrazol-1-yl)-",28466-04-8,206684,1-pyridin-4-ylpyrazol-4-amine,C1=CN=CC=C1N2C=C(C=N2)N,"InChI=1S/C8H8N4/c9-7-5-11-12(6-7)8-1-3-10-4-2-8/h1-6H,9H2",GNJNONLBGNMHGV-UHFFFAOYSA-N,C8H8N4,160.18,160.0748963,0.1,56.7,144,0,1,3,1,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Thiazolo(3,2-a)pyrimidin-4-ium, 5,7-dimethyl-, perchlorate",28666-85-5,206750,"5,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium perchlorate",CC1=CC(=[N+]2C=CSC2=N1)C.[O-]Cl(=O)(=O)=O,"InChI=1S/C8H9N2S.ClHO4/c1-6-5-7(2)10-3-4-11-8(10)9-6;2-1(3,4)5/h3-5H,1-2H3;(H,2,3,4,5)/q+1;/p-1",WLYMMCRFEDJCEG-UHFFFAOYSA-M,C8H9ClN2O4S,264.69,263.9971556,,120,247,0,0,6,0,16,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzohydroxamic acid, O-benzoyl-3-chloro-2,6-dimethoxy-N-ethyl-",29104-30-1,34475,"[(3-chloro-2,6-dimethoxybenzoyl)-ethylamino] benzoate",CCN(C(=O)C1=C(C=CC(=C1OC)Cl)OC)OC(=O)C2=CC=CC=C2,"InChI=1S/C18H18ClNO5/c1-4-20(25-18(22)12-8-6-5-7-9-12)17(21)15-14(23-2)11-10-13(19)16(15)24-3/h5-11H,4H2,1-3H3",HOERQTQCTISLFR-UHFFFAOYSA-N,C18H18ClNO5,363.8,363.0873504,4.1,65.1,455,0,0,5,7,25,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"(1,3)Dioxolo(4,5-j)phenanthridin-6(2H)-one, 3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-,(2S-(2-alpha,3-beta,4-beta,4a-beta))-",29477-83-6,72376,"(2S,3R,4S,4aR)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one",C1OC2=C(O1)C(=C3C(=C2)C4=C[C@@H]([C@H]([C@H]([C@@H]4NC3=O)O)O)O)O,"InChI=1S/C14H13NO7/c16-6-1-5-4-2-7-13(22-3-21-7)11(18)8(4)14(20)15-9(5)12(19)10(6)17/h1-2,6,9-10,12,16-19H,3H2,(H,15,20)/t6-,9+,10+,12-/m0/s1",LZAZURSABQIKGB-AEKGRLRDSA-N,C14H13NO7,307.25,307.0692018,-1.2,128,523,0,5,7,0,22,,,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0
"Piperidine, 1-(3,3-diphenylallyl)-, hydrochloride",30778-27-9,207781,"1-(3,3-diphenylprop-2-enyl)piperidine;hydrochloride",C1CCN(CC1)CC=C(C2=CC=CC=C2)C3=CC=CC=C3.Cl,"InChI=1S/C20H23N.ClH/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21;/h1-2,4-7,10-14H,3,8-9,15-17H2;1H",VESPVWVRNNTIOQ-UHFFFAOYSA-N,C20H24ClN,313.9,313.1597275,,3.2,295,0,1,1,4,22,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Pregna-1,4-diene-3,20-dione, 21-(3-(benzoylamino)-2-methyl-1-oxopropoxy)-9-fluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-, (11-beta,16-alpha)-",31002-79-6,62963,"[2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 3-benzamido-2-methylpropanoate",CC(CNC(=O)C1=CC=CC=C1)C(=O)OCC(=O)[C@@]23[C@@H](C[C@@H]4[C@@]2(C[C@@H]([C@]5([C@H]4CCC6=CC(=O)C=C[C@@]65C)F)O)C)OC(O3)(C)C,"InChI=1S/C35H42FNO8/c1-20(18-37-29(41)21-9-7-6-8-10-21)30(42)43-19-27(40)35-28(44-31(2,3)45-35)16-25-24-12-11-22-15-23(38)13-14-32(22,4)34(24,36)26(39)17-33(25,35)5/h6-10,13-15,20,24-26,28,39H,11-12,16-19H2,1-5H3,(H,37,41)/t20?,24-,25-,26-,28+,32-,33-,34-,35+/m0/s1",GUYPYYARYIIWJZ-CYEPYHPTSA-N,C35H42FNO8,623.7,623.2894455,4.6,128,1340,0,2,9,8,45,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"Stannane, diphenyloxo-, polymer",31671-16-6,75280,oxo(diphenyl)tin,C1=CC=C(C=C1)[Sn](=O)C2=CC=CC=C2,InChI=1S/2C6H5.O.Sn/c2*1-2-4-6-5-3-1;;/h2*1-5H;;,VPPWQRIBARKZNY-UHFFFAOYSA-N,C12H10OSn,288.92,289.975367,,17.1,170,0,0,1,2,14,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzophenone, 4'-chloro-3,5-dimethoxy-4-(2-morpholinoethoxy)-",31848-01-8,35949,"(4-chlorophenyl)-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methanone",COC1=CC(=CC(=C1OCCN2CCOCC2)OC)C(=O)C3=CC=C(C=C3)Cl,"InChI=1S/C21H24ClNO5/c1-25-18-13-16(20(24)15-3-5-17(22)6-4-15)14-19(26-2)21(18)28-12-9-23-7-10-27-11-8-23/h3-6,13-14H,7-12H2,1-2H3",KVCJCEKJKGLBOK-UHFFFAOYSA-N,C21H24ClNO5,405.9,405.1343006,3.5,57.2,465,0,0,6,8,28,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"20-Norcrotalanan-11,15-dione, 14,19-dihydro-12,13-dihydroxy-, 4-oxide, (13-alpha,14-alpha)-",35337-98-5,21586627,"(1R,4R,5R,6R,16R)-5,6-dihydroxy-4,5,6-trimethyl-13-oxido-2,8-dioxa-13-azoniatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione",C[C@H]1C(=O)O[C@@H]2CC[N+]3([C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O)[O-],"InChI=1S/C16H23NO7/c1-9-13(18)24-11-5-7-17(22)6-4-10(12(11)17)8-23-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-,17?/m0/s1",LHVAZUAALQTANZ-ANYXPJNNSA-N,C16H23NO7,341.36,341.1474521,-1.3,111,620,0,2,7,0,24,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"5H-Benzocyclohepten-5-ol, 6,7,8,9-tetrahydro-",35550-94-8,37171,"6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol",C1CCC2=CC=CC=C2C(C1)O,"InChI=1S/C11H14O/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,11-12H,2,4,6,8H2",ZBNIQZCMPPVSKL-UHFFFAOYSA-N,C11H14O,162.23,162.1044651,2.4,20.2,144,0,1,1,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"L-Ascorbic acid, compd. with 1-((1-phenylcyclohexyl)acetyl)-4-(2-phenylethyl)piperazine",36431-82-0,54676865,"(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;2-(1-phenylcyclohexyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone",C1CCC(CC1)(CC(=O)N2CCN(CC2)CCC3=CC=CC=C3)C4=CC=CC=C4.C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O,"InChI=1S/C26H34N2O.C6H8O6/c29-25(22-26(15-8-3-9-16-26)24-12-6-2-7-13-24)28-20-18-27(19-21-28)17-14-23-10-4-1-5-11-23;7-1-2(8)5-3(9)4(10)6(11)12-5/h1-2,4-7,10-13H,3,8-9,14-22H2;2,5,7-10H,1H2/t;2-,5+/m.0/s1",ZVMUBEXOERROJV-MGMRMFRLSA-N,C32H42N2O7,566.7,566.2992017,,131,725,0,4,8,8,41,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-Carboxytocin, 1-butanoic acid-2-(O-methyl-L-tyrosine)-",37025-55-1,16681432,"(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-methoxyphenyl)methyl]-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentazacycloicosane-3-carbonyl]pyrrolidine-2-carboxamide",CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSCCCC(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N,"InChI=1S/C45H69N11O12S/c1-6-25(4)38-44(66)51-28(15-16-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(23-69-18-8-10-37(60)50-30(42(64)55-38)20-26-11-13-27(68-5)14-12-26)45(67)56-17-7-9-33(56)43(65)53-29(19-24(2)3)39(61)49-22-36(48)59/h11-14,24-25,28-33,38H,6-10,15-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t25-,28-,29-,30-,31-,32-,33-,38-/m0/s1",NSTRIRCPWQHTIA-DTRKZRJBSA-N,C45H69N11O12S,988.2,987.4847879,-1.1,388,1850,0,10,13,18,69,,,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0
"Proteinase, serratia extracellular",37312-62-2,171666295,"(11Z)-17-hydroxy-2-phenyl-9-oxa-1,5,14,21-tetrazatetracyclo[12.7.1.03,8.016,21]docosa-3(8),4,6,11,16,19-hexaene-15,18-dione",C/1N2C(=O)C3=C(C(=O)C=CN3N(C2)C(C4=C(OC/C=C1)C=CN=C4)C5=CC=CC=C5)O.C/1N2C(=O)C3=C(C(=O)C=CN3N(C2)C(C4=C(OC/C=C1)C=CN=C4)C5=CC=CC=C5)O,"InChI=1S/2C23H20N4O4/c2*28-18-9-12-26-21(22(18)29)23(30)25-11-4-5-13-31-19-8-10-24-14-17(19)20(27(26)15-25)16-6-2-1-3-7-16/h2*1-10,12,14,20,29H,11,13,15H2/b2*5-4-",ZKKJCEMUENOBKY-KERYXKJGSA-N,C46H40N8O8,832.9,832.2969103,,172,816,0,2,14,2,62,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-8-chloro-, hydrochloride",37483-69-5,71758154,"8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine;hydrochloride",C1CC(C2=C(C=C(C=C2)Cl)OC1)N.Cl,"InChI=1S/C10H12ClNO.ClH/c11-7-3-4-8-9(12)2-1-5-13-10(8)6-7;/h3-4,6,9H,1-2,5,12H2;1H",ZRAQEMHFRRTQPF-UHFFFAOYSA-N,C10H13Cl2NO,234.12,233.0374194,,35.3,176,0,2,2,0,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cycloprop(e)indene-1a,2(1H)-dicarboxaldehyde, 3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethyl-,(1aS-(1a-alpha,3a-beta,6a-beta,6b-alpha))-",37841-91-1,37839,"(1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarbaldehyde",C[C@]12C[C@]1(C(=C[C@H]3[C@@H]2CC(C3)(C)C)C=O)C=O,"InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14-,15-/m1/s1",PJAAESPGJOSQGZ-DZGBDDFRSA-N,C15H20O2,232.32,232.1463299,2.4,34.1,434,0,0,2,2,17,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Dibenzo(a,g)quinolizinium, 8-methyl-2,3,10,11-tetramethoxy-, chloride",38989-38-7,23306,"2,3,10,11-tetramethoxy-8-methylisoquinolino[2,1-b]isoquinolin-7-ium chloride",CC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC)OC)OC)OC.[Cl-],"InChI=1S/C22H22NO4.ClH/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18;/h6-12H,1-5H3;1H/q+1;/p-1",PDYBUYVOPAJLKP-UHFFFAOYSA-M,C22H22ClNO4,399.9,399.1237359,,41,503,0,0,5,4,28,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"8-Thia-1,3-diazaspiro(4.5)decane-2,4-dione",39124-15-7,217650,"8-thia-1,3-diazaspiro[4.5]decane-2,4-dione",C1CSCCC12C(=O)NC(=O)N2,"InChI=1S/C7H10N2O2S/c10-5-7(9-6(11)8-5)1-3-12-4-2-7/h1-4H2,(H2,8,9,10,11)",GQPALRFORJWKIG-UHFFFAOYSA-N,C7H10N2O2S,186.23,186.0462987,-0.1,83.5,236,0,2,3,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"8-Oxa-1,3-diazaspiro(4.5)decane-2,4-dione",39124-19-1,217651,"8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione",C1COCCC12C(=O)NC(=O)N2,"InChI=1S/C7H10N2O3/c10-5-7(9-6(11)8-5)1-3-12-4-2-7/h1-4H2,(H2,8,9,10,11)",ZJAGHKBPSTXBRB-UHFFFAOYSA-N,C7H10N2O3,170.17,170.0691422,-0.8,67.4,233,0,2,3,0,12,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,2,3-Thiadiazole, 4-(4-bromophenyl)-",40753-13-7,218520,4-(4-bromophenyl)thiadiazole,C1=CC(=CC=C1C2=CSN=N2)Br,InChI=1S/C8H5BrN2S/c9-7-3-1-6(2-4-7)8-5-12-11-10-8/h1-5H,HGWOTVRPRHVJQK-UHFFFAOYSA-N,C8H5BrN2S,241.11,239.93568,3.1,54,148,0,0,3,1,12,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Oxazolidine, 3,4-dimethyl-2-imino-5-phenyl- (Z)-(+-)",42510-71-4,411695,"3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-imine",CC1C(OC(=N)N1C)C2=CC=CC=C2,"InChI=1S/C11H14N2O/c1-8-10(14-11(12)13(8)2)9-6-4-3-5-7-9/h3-8,10,12H,1-2H3",AINPTMZQNYUGDW-UHFFFAOYSA-N,C11H14N2O,190.24,190.1106131,2,36.3,223,0,1,2,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cinchonan-1-ium, 9-hydroxy-6'-methoxy-1-methyl-, iodide, (9S)-",42982-87-6,23620731,"(S)-[(1S,2R,4S,5R)-5-ethenyl-1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol iodide",C[N@@+]12CC[C@@H](C[C@@H]1[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O)[C@H](C2)C=C.[I-],"InChI=1S/C21H27N2O2.HI/c1-4-14-13-23(2)10-8-15(14)11-20(23)21(24)17-7-9-22-19-6-5-16(25-3)12-18(17)19;/h4-7,9,12,14-15,20-21,24H,1,8,10-11,13H2,2-3H3;1H/q+1;/p-1/t14-,15-,20+,21-,23-;/m0./s1",AJQSDVGBERUTGX-WJPDFMMVSA-M,C21H27IN2O2,466.4,466.11173,,42.4,498,0,1,4,4,26,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetic acid, ((4-chloro-6-(2,3-xylidino)-2-pyrimidinyl)thio)-",50892-23-4,5694,"2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanylacetic acid",CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)O)Cl)C,"InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)",SZRPDCCEHVWOJX-UHFFFAOYSA-N,C14H14ClN3O2S,323.8,323.0495256,4.2,100,361,0,2,6,5,21,,,0,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0,1
Ginsenoside RE,52286-59-6,441921,"(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol",C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3C[C@@]4([C@H](C[C@H]([C@H]5[C@]4(CC[C@@H]5[C@](C)(CCC=C(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)[C@@]7([C@@H]3C([C@H](CC7)O)(C)C)C)C)CO)O)O)O)O)O,"InChI=1S/C48H82O18/c1-21(2)11-10-14-48(9,66-42-38(60)35(57)32(54)26(19-49)63-42)23-12-16-46(7)30(23)24(51)17-28-45(6)15-13-29(52)44(4,5)40(45)25(18-47(28,46)8)62-43-39(36(58)33(55)27(20-50)64-43)65-41-37(59)34(56)31(53)22(3)61-41/h11,22-43,49-60H,10,12-20H2,1-9H3/t22-,23-,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,43+,45+,46+,47+,48-/m0/s1",PWAOOJDMFUQOKB-WCZZMFLVSA-N,C48H82O18,947.2,946.5501158,1.6,298,1700,0,12,18,12,66,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3H-2,1-Benzoxamercurole, 7-nitro-3-oxo-",53663-14-2,16683038,"5-nitro-8-oxa-7-mercurabicyclo[4.3.0]nona-1(6),2,4-trien-9-one",C1=CC2=C(C(=C1)[N+](=O)[O-])[Hg]OC2=O,"InChI=1S/C7H4NO4.Hg/c9-7(10)5-2-1-3-6(4-5)8(11)12;/h1-3H,(H,9,10);/q;+1/p-1",INGXLJQQXNHGNG-UHFFFAOYSA-M,C7H3HgNO4,365.69,366.976851,,72.1,251,0,0,4,0,13,,,1,1,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl)amino)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-, (6R-trans)-",56187-47-4,71736,"(6R,7R)-7-[[2-(3,5-dichloro-4-oxo-1-pyridinyl)acetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",CC1=NN=C(S1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CN4C=C(C(=O)C(=C4)Cl)Cl)SC2)C(=O)O,"InChI=1S/C18H15Cl2N5O5S3/c1-7-22-23-18(33-7)32-6-8-5-31-16-12(15(28)25(16)13(8)17(29)30)21-11(26)4-24-2-9(19)14(27)10(20)3-24/h2-3,12,16H,4-6H2,1H3,(H,21,26)(H,29,30)/t12-,16-/m1/s1",VTLCNEGVSVJLDN-MLGOLLRUSA-N,C18H15Cl2N5O5S3,548.4,546.9612375,1.1,212,984,0,2,11,7,33,,,0,0,0,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"2-Thiazolamine, 4-(1-naphthalenyl)-",56503-96-9,151342,"4-naphthalen-1-yl-1,3-thiazol-2-amine",C1=CC=C2C(=C1)C=CC=C2C3=CSC(=N3)N,"InChI=1S/C13H10N2S/c14-13-15-12(8-16-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H2,14,15)",NBQUWOCIFFHZTM-UHFFFAOYSA-N,C13H10N2S,226.3,226.0564695,3.5,67.2,246,0,1,3,1,16,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Morpholine, 4-((4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolyl)carbonyl)-",57036-88-1,866380,"(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-morpholin-4-ylmethanone",C1COCCN1C(=O)C2=C(N(C(=S)S2)C3=CC=CC=C3)N,"InChI=1S/C14H15N3O2S2/c15-12-11(13(18)16-6-8-19-9-7-16)21-14(20)17(12)10-4-2-1-3-5-10/h1-5H,6-9,15H2",RDKNLTNGGDDCSS-UHFFFAOYSA-N,C14H15N3O2S2,321.4,321.0605691,2,116,469,0,1,5,2,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, N-cyclohexyl-N'-(4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-, (+-)-",57460-41-0,68770,1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-cyclohexylurea,CC(C)(C)NCC(COC1=CC=C(C=C1)NC(=O)NC2CCCCC2)O,"InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)",MXFWWQICDIZSOA-UHFFFAOYSA-N,C20H33N3O3,363.5,363.2521919,2.6,82.6,411,0,4,4,8,26,,,0,0,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Urea, N-(3-chlorophenyl)-N'-(4,5-dihydro-1-methyl-4-oxo-1H-imidazol-2-yl)-",57653-26-6,135497698,1-(3-chlorophenyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea,CN1CC(=O)NC1=NC(=O)NC2=CC(=CC=C2)Cl,"InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)",DWPQODZAOSWNHB-UHFFFAOYSA-N,C11H11ClN4O2,266.68,266.0570533,1.2,73.8,385,0,2,2,1,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Thiophenemethanamine, N-(2-thienylmethyl)-",58703-21-2,252453,1-thiophen-2-yl-N-(thiophen-2-ylmethyl)methanamine,C1=CSC(=C1)CNCC2=CC=CS2,"InChI=1S/C10H11NS2/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h1-6,11H,7-8H2",RPLOKUQDTWODSZ-UHFFFAOYSA-N,C10H11NS2,209.3,209.0332917,2.2,68.5,136,0,1,3,4,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"Benzo(a)pyrene, 7,8,9,10-tetrahydro-7,8-dihydroxy-9,10-epoxy-, anti-",58917-67-2,44461,"(3R,5S,6S,7R)-4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-6,7-diol",C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4[C@@H]6[C@@H](O6)[C@H]([C@@H]5O)O)C=C2,"InChI=1S/C20H14O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-22H/t17-,18+,19-,20+/m1/s1",DQEPMTIXHXSFOR-WCIQWLHISA-N,C20H14O3,302.3,302.0942943,2.9,53,507,0,2,3,0,23,,,1,0,0,0,0,1,1,0,0,0,1,0,0,1,0,0,0,1,0,0
"Phthalazine, 1,2,3,4-tetrahydro-, hydrochloride",60789-87-9,109016,"1,2,3,4-tetrahydrophthalazine;hydrochloride",C1C2=CC=CC=C2CNN1.Cl,"InChI=1S/C8H10N2.ClH/c1-2-4-8-6-10-9-5-7(8)3-1;/h1-4,9-10H,5-6H2;1H",DSMOOKAFQXDFFL-UHFFFAOYSA-N,C8H11ClN2,170.64,170.0610761,,24.1,99,0,3,2,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Pyrrolidinone, 4-(3-(cyclopentyloxy)-4-methoxyphenyl)-",61413-54-5,5092,4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one,COC1=C(C=C(C=C1)C2CC(=O)NC2)OC3CCCC3,"InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)",HJORMJIFDVBMOB-UHFFFAOYSA-N,C16H21NO3,275.34,275.1521435,2.2,47.6,341,0,1,3,4,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzenamine, 2,4-dimethyl-N-(3-methyl-2(3H)-thiazolylidene)-",61676-87-7,43714,"N-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-imine",CC1=CC(=C(C=C1)N=C2N(C=CS2)C)C,"InChI=1S/C12H14N2S/c1-9-4-5-11(10(2)8-9)13-12-14(3)6-7-15-12/h4-8H,1-3H3",YUAUPYJCVKNAEC-UHFFFAOYSA-N,C12H14N2S,218.32,218.0877696,3,40.9,285,0,0,2,1,15,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyridine, 1,2-dihydro-2,2,4,6-tetramethyl-",63681-01-6,114026,"2,2,4,6-tetramethyl-3H-pyridine",CC1=CC(=NC(C1)(C)C)C,"InChI=1S/C9H15N/c1-7-5-8(2)10-9(3,4)6-7/h5H,6H2,1-4H3",LOKZDHRCJWJADP-UHFFFAOYSA-N,C9H15N,137.22,137.1204495,1,12.4,197,0,0,1,0,10,,,0,1,1,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0
"Piperazinium, 1,4-bis(2-chloroethyl)-1,4-dimethyl-, dichloride",63867-58-3,114365,"1,4-bis(2-chloroethyl)-1,4-dimethylpiperazine-1,4-diium dichloride",C[N+]1(CC[N+](CC1)(C)CCCl)CCCl.[Cl-].[Cl-],"InChI=1S/C10H22Cl2N2.2ClH/c1-13(5-3-11)7-9-14(2,6-4-12)10-8-13;;/h3-10H2,1-2H3;2*1H/q+2;;/p-2",ANZGQGAJGAEASQ-UHFFFAOYSA-L,C10H22Cl4N2,312.1,312.050759,,0,157,0,0,2,4,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Cyclopropanecarboxylic acid, 2,2-dichloro-1-(4-ethoxyphenyl)-, cyano(3-phenoxyphenyl)methyl ester",63935-38-6,91686,"[cyano-(3-phenoxyphenyl)methyl] 2,2-dichloro-1-(4-ethoxyphenyl)cyclopropane-1-carboxylate",CCOC1=CC=C(C=C1)C2(CC2(Cl)Cl)C(=O)OC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4,"InChI=1S/C26H21Cl2NO4/c1-2-31-20-13-11-19(12-14-20)25(17-26(25,27)28)24(30)33-23(16-29)18-7-6-10-22(15-18)32-21-8-4-3-5-9-21/h3-15,23H,2,17H2,1H3",CGTWCAVZZBLHQH-UHFFFAOYSA-N,C26H21Cl2NO4,482.4,481.0847635,6.2,68.6,723,0,0,5,9,33,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"Ethanone, 1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-, o-((2,4-dichlorophenyl)methyl)oxime,nitrate, (Z)-",64211-46-7,9556529,"(Z)-1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine;nitric acid",C1=CC(=C(C=C1Cl)Cl)CO/N=C(\CN2C=CN=C2)/C3=C(C=C(C=C3)Cl)Cl.[N+](=O)(O)[O-],"InChI=1S/C18H13Cl4N3O.HNO3/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11H,9-10H2;(H,2,3,4)/b24-18+;",WVNOAGNOIPTWPT-NDUABGMUSA-N,C18H14Cl4N4O4,492.1,491.973966,,105,506,0,1,6,6,30,,,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Imidazole, 1-(4-(4-chlorophenyl)-2-((2,6-dichlorophenyl)thio)butyl)-, (+-)-, mononitrate",64872-77-1,47471,"1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole;nitric acid",C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl.[N+](=O)(O)[O-],"InChI=1S/C19H17Cl3N2S.HNO3/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22;2-1(3)4/h1-5,7-8,10-11,13,16H,6,9,12H2;(H,2,3,4)",ZHPWRQIPPNZNML-UHFFFAOYSA-N,C19H18Cl3N3O3S,474.8,473.013446,,109,408,0,1,5,7,29,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Olean-12-ene-28,29-dioic acid, 2,23-dihydroxy-3-((4-O-beta-D-glucopyranosyl-beta-D-xylopyranosyl)oxy)-, 29-methyl ester, (2-beta,3-beta,4-alpha,20-beta)-",65497-07-6,11657924,"(2S,4aR,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid",C[C@@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)C)C)[C@@H]2C1)C)C(=O)O)C(=O)OC,"InChI=1S/C42H66O16/c1-37(36(53)54-6)11-13-42(35(51)52)14-12-40(4)20(21(42)15-37)7-8-26-38(2)16-22(45)32(39(3,19-44)25(38)9-10-41(26,40)5)58-33-30(49)28(47)24(18-55-33)57-34-31(50)29(48)27(46)23(17-43)56-34/h7,21-34,43-50H,8-19H2,1-6H3,(H,51,52)/t21-,22-,23+,24+,25+,26+,27+,28-,29-,30+,31+,32-,33-,34-,37-,38-,39-,40+,41+,42-/m0/s1",ZMXKPCHQLHYTHY-OWRBLJEPSA-N,C42H66O16,827,826.435086,0.8,262,1610,0,9,16,9,58,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-Pyran-2-acetic acid, 6-(1-ethyl-4-(1-ethyl-2,3,3a,4,5,7a-hexahydro-4-(1H-pyrrol-2-ylcarbonyl)-1H-inden-5-yl)-1,3-butadienyl)tetrahydro-alpha,5-dimethyl-, (1S-(1-alpha,3-alpha,beta,4-beta,5-beta(1E(2S*(S*),5R*,6S*),3E),7a-alpha))-",66513-28-8,6441018,"(2R)-2-[(5S,6R)-6-[(3E,5E)-6-[(1S,3aR,4S,5R,7aS)-1-ethyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyloxan-2-yl]propanoic acid",CC[C@H]1CC[C@@H]2[C@@H]1C=C[C@@H]([C@H]2C(=O)C3=CC=CN3)/C=C/C=C(\CC)/[C@H]4[C@H](CCC(O4)[C@@H](C)C(=O)O)C,"InChI=1S/C31H43NO4/c1-5-21-13-16-25-24(21)15-14-23(28(25)29(33)26-11-8-18-32-26)10-7-9-22(6-2)30-19(3)12-17-27(36-30)20(4)31(34)35/h7-11,14-15,18-21,23-25,27-28,30,32H,5-6,12-13,16-17H2,1-4H3,(H,34,35)/b10-7+,22-9+/t19-,20+,21-,23-,24+,25+,27?,28+,30+/m0/s1",BAIPOTOKPGDCHA-DFPVWRGBSA-N,C31H43NO4,493.7,493.3192089,7.4,79.4,876,0,2,4,9,36,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2-Naphthol, 1,1'-((p-chlorophenyl)methylene)bis-",66595-77-5,47966,1-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol,C1=CC=C2C(=C1)C=CC(=C2C(C3=CC=C(C=C3)Cl)C4=C(C=CC5=CC=CC=C54)O)O,"InChI=1S/C27H19ClO2/c28-20-13-9-19(10-14-20)25(26-21-7-3-1-5-17(21)11-15-23(26)29)27-22-8-4-2-6-18(22)12-16-24(27)30/h1-16,25,29-30H",LQWQJJSAUKFOOO-UHFFFAOYSA-N,C27H19ClO2,410.9,410.1073575,7.7,40.5,521,0,2,2,3,30,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"Acetamide, 2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)-",67129-08-2,49384,"2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide",CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)CCl,"InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3",STEPQTYSZVCJPV-UHFFFAOYSA-N,C14H16ClN3O,277.75,277.0981898,2.7,38.1,303,0,0,2,4,19,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one, 2-(2,4-dichloro-5-(2-propynyloxy)phenyl)-5,6,7,8-tetrahydro-",68049-83-2,443029,"2-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one",C#CCOC1=C(C=C(C(=C1)N2C(=O)N3CCCCC3=N2)Cl)Cl,"InChI=1S/C15H13Cl2N3O2/c1-2-7-22-13-9-12(10(16)8-11(13)17)20-15(21)19-6-4-3-5-14(19)18-20/h1,8-9H,3-7H2",XOEMATDHVZOBSG-UHFFFAOYSA-N,C15H13Cl2N3O2,338.2,337.0384821,2.9,45.1,530,0,0,3,3,22,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Phosphinic chloride, bis(2-oxo-3-oxazolidinyl)-",68641-49-6,152842,"3-[chloro-(2-oxo-1,3-oxazolidin-3-yl)phosphoryl]-1,3-oxazolidin-2-one",C1COC(=O)N1P(=O)(N2CCOC2=O)Cl,"InChI=1S/C6H8ClN2O5P/c7-15(12,8-1-3-13-5(8)10)9-2-4-14-6(9)11/h1-4H2",KLDLRDSRCMJKGM-UHFFFAOYSA-N,C6H8ClN2O5P,254.56,253.9859361,-0.1,76.2,331,0,0,5,2,15,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"3(2H)-Benzofuranone, 2-((4-(dimethylamino)phenyl)methylene)-",70170-84-2,5900716,(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-1-benzofuran-3-one,CN(C)C1=CC=C(C=C1)/C=C/2\C(=O)C3=CC=CC=C3O2,"InChI=1S/C17H15NO2/c1-18(2)13-9-7-12(8-10-13)11-16-17(19)14-5-3-4-6-15(14)20-16/h3-11H,1-2H3/b16-11+",BDLCKVSBCPDQJX-LFIBNONCSA-N,C17H15NO2,265.31,265.1102787,3.7,29.5,394,0,0,3,2,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,3'-Bipyridine, 1,2,3,6-tetrahydro-1-nitroso-",71267-22-6,51291,"3-[(2S)-1-nitroso-3,6-dihydro-2H-pyridin-2-yl]pyridine",C1C=CCN([C@@H]1C2=CN=CC=C2)N=O,"InChI=1S/C10H11N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h1-4,6,8,10H,5,7H2/t10-/m0/s1",ZJOFAFWTOKDIFH-JTQLQIEISA-N,C10H11N3O,189.21,189.090212,1.3,45.6,229,0,0,4,1,14,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, N-(((3,5-dichloro-4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)phenyl)amino)carbonyl)-2,6-difluoro-",71422-67-8,91708,"N-[[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]-2,6-difluorobenzamide",C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2)Cl)OC3=C(C=C(C=N3)C(F)(F)F)Cl)Cl)F,"InChI=1S/C20H9Cl3F5N3O3/c21-10-5-9(30-19(33)31-17(32)15-13(24)2-1-3-14(15)25)6-11(22)16(10)34-18-12(23)4-8(7-29-18)20(26,27)28/h1-7H,(H2,30,31,32,33)",UISUNVFOGSJSKD-UHFFFAOYSA-N,C20H9Cl3F5N3O3,540.6,538.962965,6.7,80.3,715,0,2,9,4,34,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"Alanine, N-(2,6-dimethylphenyl)-N-(phenylacetyl)-, methyl ester, DL-",71626-11-4,51369,"methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate",CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2,"InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3",CJPQIRJHIZUAQP-UHFFFAOYSA-N,C20H23NO3,325.4,325.1677936,3.4,46.6,421,0,0,3,6,24,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"2(1H)-Pyridinone, 5-(acetyloxy)-5,6-dihydro-1-(1-oxo-3-phenylpropyl)-",71627-22-0,194391,"[6-oxo-1-(3-phenylpropanoyl)-2,3-dihydropyridin-3-yl] acetate",CC(=O)OC1CN(C(=O)C=C1)C(=O)CCC2=CC=CC=C2,"InChI=1S/C16H17NO4/c1-12(18)21-14-8-10-16(20)17(11-14)15(19)9-7-13-5-3-2-4-6-13/h2-6,8,10,14H,7,9,11H2,1H3",JLNNQCUATONMIT-UHFFFAOYSA-N,C16H17NO4,287.31,287.115758,1.4,63.7,438,0,0,4,5,21,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1,1-Ethenediamine, N,N'-bis(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-2-nitro-",72126-78-4,3055214,"1-N,1-N'-bis[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine",CN(C)CC1=CC=C(O1)CSCCNC(=C[N+](=O)[O-])NCCSCC2=CC=C(O2)CN(C)C,"InChI=1S/C22H35N5O4S2/c1-25(2)13-18-5-7-20(30-18)16-32-11-9-23-22(15-27(28)29)24-10-12-33-17-21-8-6-19(31-21)14-26(3)4/h5-8,15,23-24H,9-14,16-17H2,1-4H3",VTVSRHZKBPARSF-UHFFFAOYSA-N,C22H35N5O4S2,497.7,497.213047,1.4,153,552,0,2,10,16,33,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,1
"Pyridine, 2-((1,2-diphenylethyl)amino)-",74037-48-2,3057340,"N-(1,2-diphenylethyl)pyridin-2-amine",C1=CC=C(C=C1)CC(C2=CC=CC=C2)NC3=CC=CC=N3,"InChI=1S/C19H18N2/c1-3-9-16(10-4-1)15-18(17-11-5-2-6-12-17)21-19-13-7-8-14-20-19/h1-14,18H,15H2,(H,20,21)",AZHQDGPVBWDKPW-UHFFFAOYSA-N,C19H18N2,274.4,274.1469986,4.7,24.9,279,0,1,2,5,21,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1-alpha-H,5-alpha-H-Tropan-3-one, hydrobromide",74051-45-9,3057566,8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrobromide,CN1C2CCC1CC(=O)C2.Br,"InChI=1S/C8H13NO.BrH/c1-9-6-2-3-7(9)5-8(10)4-6;/h6-7H,2-5H2,1H3;1H",NFIYUASUOPYSJQ-UHFFFAOYSA-N,C8H14BrNO,220.11,219.02588,,20.3,151,0,1,2,0,11,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1
"Luteinizing hormone-releasing factor (pig), 6-(3-(2-naphthalenyl)-D-alanine)-",76932-56-4,25077405,(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide,CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8,"InChI=1S/C66H83N17O13/c1-36(2)25-48(58(89)76-47(13-7-23-71-66(68)69)65(96)83-24-8-14-54(83)64(95)73-33-55(67)86)77-60(91)50(28-38-15-18-39-9-3-4-10-40(39)26-38)78-59(90)49(27-37-16-19-43(85)20-17-37)79-63(94)53(34-84)82-61(92)51(29-41-31-72-45-12-6-5-11-44(41)45)80-62(93)52(30-42-32-70-35-74-42)81-57(88)46-21-22-56(87)75-46/h3-6,9-12,15-20,26,31-32,35-36,46-54,72,84-85H,7-8,13-14,21-25,27-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71)/t46-,47-,48-,49-,50+,51-,52-,53-,54-/m0/s1",RWHUEXWOYVBUCI-ITQXDASVSA-N,C66H83N17O13,1322.5,1321.635626,0.8,475,2730,0,16,15,33,96,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"2,4(1H,3H)-Pyrimidinedione, dihydro-1-(4-chlorophenyl)-3-methyl-",77385-17-2,3059888,"1-(4-chlorophenyl)-3-methyl-1,3-diazinane-2,4-dione",CN1C(=O)CCN(C1=O)C2=CC=C(C=C2)Cl,"InChI=1S/C11H11ClN2O2/c1-13-10(15)6-7-14(11(13)16)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3",OOAAGWMBSXRCET-UHFFFAOYSA-N,C11H11ClN2O2,238.67,238.0509053,1.4,40.6,300,0,0,2,1,16,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Pyridine, 2-(2-pyrrolidinyl)-, (+-)-",77790-61-5,2771659,2-pyrrolidin-2-ylpyridine,C1CC(NC1)C2=CC=CC=N2,"InChI=1S/C9H12N2/c1-2-6-10-8(4-1)9-5-3-7-11-9/h1-2,4,6,9,11H,3,5,7H2",NDCZQFDBSPOUDF-UHFFFAOYSA-N,C9H12N2,148.2,148.1000484,0.8,24.9,125,0,1,2,1,11,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"Benzo(b)thiophen-3(2H)-one, 2-(((2-hydroxyethyl)amino)phenylmethylene)-, (E)-",77946-52-2,10986413,1-benzothiophen-3-one,C1C(=O)C2=CC=CC=C2S1,"InChI=1S/C8H6OS/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4H,5H2",ADHAJDDBRUOZHJ-UHFFFAOYSA-N,C8H6OS,150.2,150.013936,2,42.4,155,0,0,2,0,10,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"o-Acetotoluidide, 6'-chloro-2-(2,6-dimethylpiperidino)-, hydrochloride",77966-93-9,53964,"N-(2-chloro-6-methylphenyl)-2-(2,6-dimethylpiperidin-1-ium-1-yl)acetamide chloride",CC1CCCC([NH+]1CC(=O)NC2=C(C=CC=C2Cl)C)C.[Cl-],"InChI=1S/C16H23ClN2O.ClH/c1-11-6-4-9-14(17)16(11)18-15(20)10-19-12(2)7-5-8-13(19)3;/h4,6,9,12-13H,5,7-8,10H2,1-3H3,(H,18,20);1H",YRODETAUVQZTCC-UHFFFAOYSA-N,C16H24Cl2N2O,331.3,330.1265688,,33.5,326,0,2,2,3,21,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Furancarboxylic acid, 2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazide",78205-27-3,54147,"N'-(3,4-dihydro-2H-pyrrol-5-yl)furan-2-carbohydrazide",C1CC(=NC1)NNC(=O)C2=CC=CO2,"InChI=1S/C9H11N3O2/c13-9(7-3-2-6-14-7)12-11-8-4-1-5-10-8/h2-3,6H,1,4-5H2,(H,10,11)(H,12,13)",MFGNINKCNWCJIO-UHFFFAOYSA-N,C9H11N3O2,193.2,193.0851266,0.1,66.6,252,0,2,3,3,14,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Imidazole, 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-, hydrochloride",79944-56-2,154494,"2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrochloride",C1CN=C(N1)C2COC3=CC=CC=C3O2.Cl,"InChI=1S/C11H12N2O2.ClH/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11;/h1-4,10H,5-7H2,(H,12,13);1H",MYUBYOVCLMEAOH-UHFFFAOYSA-N,C11H13ClN2O2,240.68,240.0665554,,42.9,267,0,2,3,1,16,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzoic acid, 2-(methylamino)-, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1a-alpha,1b-beta,4a-beta,7a-alpha,7b-alpha,8-alpha,9-beta,9a-alpha))-",80998-07-8,114977,"[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-(methylamino)benzoate",C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C)OC(=O)C5=CC=CC=C5NC,"InChI=1S/C30H37NO8/c1-15-11-22-28(36,24(15)34)13-18(14-32)12-20-23-27(4,5)30(23,39-17(3)33)25(16(2)29(20,22)37)38-26(35)19-9-7-8-10-21(19)31-6/h7-12,16,20,22-23,25,31-32,36-37H,13-14H2,1-6H3/t16-,20+,22-,23-,25-,28-,29-,30-/m1/s1",UPAIGGMQTARRMN-CSSCWBSHSA-N,C30H37NO8,539.6,539.2519171,2.5,142,1140,0,4,9,7,39,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5H-Indeno(1,2-c)pyridazin-5-one, 3-chloro-",81198-23-4,6410617,"3-chloroindeno[1,2-c]pyridazin-5-one",C1=CC=C2C(=C1)C3=NN=C(C=C3C2=O)Cl,InChI=1S/C11H5ClN2O/c12-9-5-8-10(14-13-9)6-3-1-2-4-7(6)11(8)15/h1-5H,KCYFISVHLKCHRM-UHFFFAOYSA-N,C11H5ClN2O,216.62,216.0090405,2,42.9,284,0,0,3,0,15,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1,2,4-Triazole-1-ethanol, alpha-(2,4-difluorophenyl)-alpha-(1H-1,2,4-triazol-1-ylmethyl)-",86386-73-4,3365,"2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol",C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O,"InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2",RFHAOTPXVQNOHP-UHFFFAOYSA-N,C13H12F2N6O,306.27,306.1040654,0.4,81.7,358,0,1,7,5,22,,,0,0,0,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,0,1
"Trichtheca-9,12-dien-8-one, 3,7,15-trihydroxy-, (3-alpha,7-alpha)-",88054-24-4,119324,"(1S,2R,3S,7R,9S,10R)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-4-one",CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H](C3=C)O2)O)C)CO,"InChI=1S/C15H20O5/c1-7-4-10-15(6-16,13(19)11(7)18)14(3)5-9(17)12(20-10)8(14)2/h4,9-10,12-13,16-17,19H,2,5-6H2,1,3H3/t9-,10-,12+,13-,14+,15-/m1/s1",ZACLXWTWERGCLX-MDUHGFIHSA-N,C15H20O5,280.32,280.1310737,0,87,524,0,3,5,1,20,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"2H-Pyran-2-one, 6-(bromomethylene)tetrahydro-3-(1-naphthalenyl)-, (E)-",88070-98-8,5940264,(6E)-6-(bromomethylidene)-3-naphthalen-1-yloxan-2-one,C1C/C(=C\Br)/OC(=O)C1C2=CC=CC3=CC=CC=C32,"InChI=1S/C16H13BrO2/c17-10-12-8-9-15(16(18)19-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,15H,8-9H2/b12-10+",BYUCSFWXCMTYOI-ZRDIBKRKSA-N,C16H13BrO2,317.18,316.00989,4.2,26.3,377,0,0,2,1,19,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrahydro-2-(4-chlorophenyl)-",88402-43-1,115171,"2-(4-chlorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione",C1CCC2=C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)Cl,"InChI=1S/C14H12ClNO2/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(16)18/h5-8H,1-4H2",MJQBFSWPMMHVSM-UHFFFAOYSA-N,C14H12ClNO2,261.7,261.0556563,3.1,37.4,394,0,0,2,1,18,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,1
"Benzenemethanol, alpha,alpha'-((tetrahydro-3,4-dimethyl-2,5-furandiyl)bis((2-methoxy-4,1-phenylene)oxyethylidene))bis(3,4-dimethoxy-",88497-87-4,15605952,"(1R,2R)-1-(3,4-dimethoxyphenyl)-2-[4-[(2S,3R,4R,5S)-5-[4-[(1R,2R)-1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-ol",C[C@@H]1[C@H]([C@H](O[C@@H]1C2=CC(=C(C=C2)O[C@H](C)[C@@H](C3=CC(=C(C=C3)OC)OC)O)OC)C4=CC(=C(C=C4)O[C@H](C)[C@@H](C5=CC(=C(C=C5)OC)OC)O)OC)C,"InChI=1S/C42H52O11/c1-23-24(2)42(30-14-18-34(38(22-30)50-10)52-26(4)40(44)28-12-16-32(46-6)36(20-28)48-8)53-41(23)29-13-17-33(37(21-29)49-9)51-25(3)39(43)27-11-15-31(45-5)35(19-27)47-7/h11-26,39-44H,1-10H3/t23-,24-,25-,26-,39+,40+,41+,42+/m1/s1",ZGXXNVOBEIRACL-VOGCUZRYSA-N,C42H52O11,732.9,732.3509625,6.8,124,986,0,2,11,16,53,,,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1
"2-Pyrrolidinecarboxylic acid, 2-((2-formyl-1-pyrrolidinyl)carbonyl)-, phenylmethyl ester,(S-(R*,R*))-",88795-32-8,122623,benzyl (2S)-2-[(2S)-2-formylpyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate,C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)OCC3=CC=CC=C3)C=O,"InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1",ORZXYSPOAVJYRU-HOTGVXAUSA-N,C18H22N2O4,330.4,330.1579572,1.7,66.9,476,0,0,4,5,24,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"3-Isoxazolecarboxamide, N-(2-methoxyphenyl)-5-methyl-",88812-95-7,3021345,"N-(2-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide",CC1=CC(=NO1)C(=O)NC2=CC=CC=C2OC,"InChI=1S/C12H12N2O3/c1-8-7-10(14-17-8)12(15)13-9-5-3-4-6-11(9)16-2/h3-7H,1-2H3,(H,13,15)",KQNMGYXVNKWEMQ-UHFFFAOYSA-N,C12H12N2O3,232.23,232.0847923,1.9,64.4,272,0,1,4,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2-Naphthalenecarboxylic acid, 1-hydroxy-, compd. with 4-hydroxy-alpha(sup 1)-(((6-(4-phenylbutoxy)hexyl)amino)methyl)-1,3-benzenedimethanol (1:1)",94749-08-3,56801,2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol;1-hydroxynaphthalene-2-carboxylic acid,C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O.C1=CC=C2C(=C1)C=CC(=C2O)C(=O)O,"InChI=1S/C25H37NO4.C11H8O3/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21;12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2;1-6,12H,(H,13,14)",XTZNCVSCVHTPAI-UHFFFAOYSA-N,C36H45NO7,603.7,603.3196028,,139,629,0,6,8,17,44,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,0,0,0,0
"4-Quinolinecarboxylic acid, 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-3-methyl-",96187-53-0,57030,6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylic acid,CC1=C(C2=C(C=CC(=C2)F)N=C1C3=CC=C(C=C3)C4=CC=CC=C4F)C(=O)O,"InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)",PHEZJEYUWHETKO-UHFFFAOYSA-N,C23H15F2NO2,375.4,375.1070851,5.6,50.2,551,0,1,5,3,28,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-1,2,3-Triazole-4-carboxamide, 5-amino-1-((3,5-dichloro-4-(4-chlorobenzoyl)phenyl)methyl)-",99519-84-3,108144,"5-amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]triazole-4-carboxamide",C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2Cl)CN3C(=C(N=N3)C(=O)N)N)Cl)Cl,"InChI=1S/C17H12Cl3N5O2/c18-10-3-1-9(2-4-10)15(26)13-11(19)5-8(6-12(13)20)7-25-16(21)14(17(22)27)23-24-25/h1-6H,7,21H2,(H2,22,27)",WNRZHQBJSXRYJK-UHFFFAOYSA-N,C17H12Cl3N5O2,424.7,423.005658,3.9,117,549,0,2,5,5,27,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Pyrrolo(2,3-b)indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, phenylcarbamate (ester),(3aS-cis)-",101246-66-6,192706,"[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate",C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC4=CC=CC=C4)C)C,"InChI=1S/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18-,20+/m1/s1",PBHFNBQPZCRWQP-QUCCMNQESA-N,C20H23N3O2,337.4,337.179027,2.3,44.8,507,0,1,4,3,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzeneacetonitrile, 2,6-dichloro-alpha-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-",101831-37-2,456389,"2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile",C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)Cl,"InChI=1S/C17H9Cl3N4O2/c18-10-3-1-9(2-4-10)12(7-21)16-13(19)5-11(6-14(16)20)24-17(26)23-15(25)8-22-24/h1-6,8,12H,(H,23,25,26)",ZSZFUDFOPOMEET-UHFFFAOYSA-N,C17H9Cl3N4O2,407.6,405.979109,4.1,85.6,629,0,1,4,3,26,,,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0
"1H-Purine-2,6-dione, 3,7-dihydro-8-((2-furanylmethyl)amino)-3-methyl-7-(phenylmethyl)-",105522-54-1,1084944,"7-benzyl-8-(furan-2-ylmethylamino)-3-methylpurine-2,6-dione",CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)CC4=CC=CC=C4,"InChI=1S/C18H17N5O3/c1-22-15-14(16(24)21-18(22)25)23(11-12-6-3-2-4-7-12)17(20-15)19-10-13-8-5-9-26-13/h2-9H,10-11H2,1H3,(H,19,20)(H,21,24,25)",CHUHCLSCYWSJEH-UHFFFAOYSA-N,C18H17N5O3,351.4,351.1331394,1.9,92.4,539,0,2,5,5,26,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Pyrimidinamine, 5-chloro-N-(2-(4-(2-ethoxyethyl)-2,3-dimethylphenoxy)ethyl)-6-ethyl-",105779-78-0,6451139,"5-chloro-N-[2-[4-(2-ethoxyethyl)-2,3-dimethylphenoxy]ethyl]-6-ethylpyrimidin-4-amine",CCC1=C(C(=NC=N1)NCCOC2=C(C(=C(C=C2)CCOCC)C)C)Cl,"InChI=1S/C20H28ClN3O2/c1-5-17-19(21)20(24-13-23-17)22-10-12-26-18-8-7-16(9-11-25-6-2)14(3)15(18)4/h7-8,13H,5-6,9-12H2,1-4H3,(H,22,23,24)",ITKAIUGKVKDENI-UHFFFAOYSA-N,C20H28ClN3O2,377.9,377.1870048,4.9,56.3,388,0,1,5,10,26,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Nonanoic acid, 9-((3-methyl-1-oxo-4-(tetrahydro-3,4-dihydroxy-5-((3-(2-hydroxy-1-methylpropyl)oxiranyl)methyl)-2H-pyran-2-yl)-2-butenyl)oxy)-, calcium salt (2:1) dihydrate(2S-(2alpha(E),3beta,4beta,5alpha(2R*,3R*(1R*,2R*))))-",115074-43-6,5282317,"calcium;bis(9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoate);dihydrate",C[C@@H]([C@@H](O)C)[C@@H]1O[C@H]1C[C@@H]2[C@H]([C@H]([C@@H](OC2)C/C(=C/C(=O)OCCCCCCCCC(=O)[O-])/C)O)O.C[C@@H]([C@@H](O)C)[C@@H]1O[C@H]1C[C@@H]2[C@H]([C@H]([C@@H](OC2)C/C(=C/C(=O)OCCCCCCCCC(=O)[O-])/C)O)O.O.O.[Ca+2],"InChI=1S/2C26H44O9.Ca.2H2O/c2*1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27;;;/h2*13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29);;2*1H2/q;;+2;;/p-2/b2*16-13+;;;/t2*17-,18-,19-,20-,21-,24+,25-,26-;;;/m00.../s1",DDHVILIIHBIMQU-YJGQQKNPSA-L,C52H90CaO20,1075.3,1074.565136,,300,689,0,8,20,32,73,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,1,0,0
"1H-Imidazol-2-amine, 1-((6-chloro-3-pyridinyl)methyl)-N-nitro-",115086-54-9,14626249,N-[1-[(6-chloro-3-pyridinyl)methyl]imidazol-2-yl]nitramide,C1=CC(=NC=C1CN2C=CN=C2N[N+](=O)[O-])Cl,"InChI=1S/C9H8ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-5H,6H2,(H,11,13)",TYLCDJYHUVCRBH-UHFFFAOYSA-N,C9H8ClN5O2,253.64,253.0366522,2,88.6,275,0,1,5,3,17,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-",115550-35-1,60651,"7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid",CN1CCN(CC1)C2=C(C=C3C4=C2OCN(N4C=C(C3=O)C(=O)O)C)F,"InChI=1S/C17H19FN4O4/c1-19-3-5-21(6-4-19)14-12(18)7-10-13-16(14)26-9-20(2)22(13)8-11(15(10)23)17(24)25/h7-8H,3-6,9H2,1-2H3,(H,24,25)",BPFYOAJNDMUVBL-UHFFFAOYSA-N,C17H19FN4O4,362.4,362.1390333,-0.5,76.6,636,0,1,9,2,26,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"4-Hexenoic acid, 6-((2R,4R,5S)-2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl)-, (4Z)-rel-",117621-64-4,6438399,"(Z)-6-[(2R,4R,5S)-2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]hex-4-enoic acid",C1[C@@H]([C@@H](O[C@@H](O1)C2=CC=CC=C2Cl)C3=CC=CC=C3O)C/C=C\CCC(=O)O,"InChI=1S/C22H23ClO5/c23-18-11-6-4-9-16(18)22-27-14-15(8-2-1-3-13-20(25)26)21(28-22)17-10-5-7-12-19(17)24/h1-2,4-7,9-12,15,21-22,24H,3,8,13-14H2,(H,25,26)/b2-1-/t15-,21+,22+/m0/s1",WHUIENZXNGAHQI-YGPRPMEGSA-N,C22H23ClO5,402.9,402.1234015,4.1,76,525,0,2,5,7,28,,,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Acetamide, 2-((2-furanylmethyl)sulfinyl)-N-(4-((4-(1-piperidinylmethyl)-2-pyridinyl)oxy)-2-butenyl)-, (Z)-",118288-08-7,5282136,2-(furan-2-ylmethylsulfinyl)-N-[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]acetamide,C1CCN(CC1)CC2=CC(=NC=C2)OC/C=C\CNC(=O)CS(=O)CC3=CC=CO3,"InChI=1S/C22H29N3O4S/c26-21(18-30(27)17-20-7-6-14-28-20)23-9-2-5-13-29-22-15-19(8-10-24-22)16-25-11-3-1-4-12-25/h2,5-8,10,14-15H,1,3-4,9,11-13,16-18H2,(H,23,26)/b5-2-",KMZQAVXSMUKBPD-DJWKRKHSSA-N,C22H29N3O4S,431.6,431.1878776,1.4,104,569,0,1,7,11,30,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Isoindole-1,3(2H)-dione, 2-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl)hexahydro-,monohydrochloride, cis-",129273-38-7,115367,"(3aR,7aS)-2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;hydrochloride",C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54.Cl,"InChI=1S/C23H30N4O2S.ClH/c28-22-17-7-1-2-8-18(17)23(29)27(22)12-6-5-11-25-13-15-26(16-14-25)21-19-9-3-4-10-20(19)30-24-21;/h3-4,9-10,17-18H,1-2,5-8,11-16H2;1H/t17-,18+;",HIZFAPMOZFYELI-GNXQHMNLSA-N,C23H31ClN4O2S,463,462.1856251,,85,615,0,1,6,6,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Cyclopentanol, 5-((4-chlorophenyl)methylene)-2,2-dimethyl-1-(1H-1,2,4-triazole-1-ylmethyl)-",131983-72-7,6537961,"(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol",CC1(CC/C(=C\C2=CC=C(C=C2)Cl)/C1(CN3C=NC=N3)O)C,"InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9+",PPDBOQMNKNNODG-NTEUORMPSA-N,C17H20ClN3O,317.8,317.12949,3.1,50.9,432,0,1,3,3,22,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ethanone, 1-(4-(3-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)propoxy)-3-methoxyphenyl)-",133454-47-4,71360,"1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone",CC(=O)C1=CC(=C(C=C1)OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)OC,"InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3",XMXHEBAFVSFQEX-UHFFFAOYSA-N,C24H27FN2O4,426.5,426.1954855,4.1,64.8,586,0,0,7,8,31,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-, (beta-R,delta-R)-",134523-00-5,60823,"(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid",CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4,"InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1",XUKUURHRXDUEBC-KAYWLYCHSA-N,C33H35FN2O5,558.6,558.2530004,5,112,822,0,4,6,12,41,,,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"Dibenz(2,3:6,7)oxepino(4,5-c)pyridin-4a(2H)-ol, 1,3,4,13b-tetrahydro-2,10-dimethyl-, (4aR,13bR)-rel-",135928-30-2,166560,"(2R,7R)-4,16-dimethyl-14-oxa-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-7-ol",CC1=C2C(=CC=C1)[C@@H]3CN(CC[C@@]3(C4=CC=CC=C4O2)O)C,"InChI=1S/C19H21NO2/c1-13-6-5-7-14-16-12-20(2)11-10-19(16,21)15-8-3-4-9-17(15)22-18(13)14/h3-9,16,21H,10-12H2,1-2H3/t16-,19-/m0/s1",RPMDQAYGQBREBS-LPHOPBHVSA-N,C19H21NO2,295.4,295.1572289,2.8,32.7,414,0,1,3,0,22,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0
"2-Cyclopentene-1-methanol, 4-(2-amino-6-(cyclopropylamino)-9H-purin-9-yl)-, (1S,4R)-",136470-78-5,441300,"[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol",C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO,"InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1",MCGSCOLBFJQGHM-SCZZXKLOSA-N,C14H18N6O,286.33,286.1542092,0.9,102,414,0,3,6,4,21,,,0,0,0,1,0,1,0,1,0,0,1,0,0,1,0,0,0,1,0,0
"4-Pyrimidineethanol, alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-, (alpha-R,beta-S)-",137234-62-9,71616,"(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol",C[C@@H](C1=NC=NC=C1F)[C@](CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O,"InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1",BCEHBSKCWLPMDN-MGPLVRAMSA-N,C16H14F3N5O,349.31,349.1150446,1.5,76.7,448,0,1,8,5,25,,,1,0,0,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Phenol, 4-(2-((7-amino-2-(2-furanyl)(1,2,4)triazolo(1,5-a)(1,3,5)triazin-5-yl)amino)ethyl)-",139180-30-6,176407,"4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol",C1=COC(=C1)C2=NN3C(=NC(=NC3=N2)NCCC4=CC=C(C=C4)O)N,"InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)",PWTBZOIUWZOPFT-UHFFFAOYSA-N,C16H15N7O2,337.34,337.1287228,2.2,127,435,0,3,8,5,25,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"3-Oxa-9-azoniatricyclo(3,3.1.0(sup 2,4))nonane, 7-((hydroxydi-2-thienylacetyl)oxy)-9,9-dimethyl-, bromide, hydrate, (1-alpha,2-beta,4-beta,5-alpha,7-beta)-",139404-48-1,11431811,"[(1R,2R,4S,5S)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;bromide;hydrate",C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.O.[Br-],"InChI=1S/C19H22NO4S2.BrH.H2O/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H;1H2/q+1;;/p-1/t11?,12-,13+,16-,17+;;",MQLXPRBEAHBZTK-KFEMZTBUSA-M,C19H24BrNO5S2,490.4,489.02793,,117,564,0,2,8,5,28,,,0,0,1,1,0,0,1,1,0,0,0,0,0,1,0,0,1,0,1,0
"Indolo(3,2-d)(1)benzazepin-6(5H)-one, 9-bromo-7,12-dihydro-",142273-20-9,3820,"9-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one",C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)Br,"InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)",QQUXFYAWXPMDOE-UHFFFAOYSA-N,C16H11BrN2O,327.17,326.00548,3.3,44.9,402,0,2,1,0,20,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, 1-(((cyclohexyloxy)carbonyl)oxy)ethyl ester, (+-)-",145040-37-5,2540,1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate,CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6,"InChI=1S/C33H34N6O6/c1-3-42-32-34-28-15-9-14-27(31(40)43-21(2)44-33(41)45-24-10-5-4-6-11-24)29(28)39(32)20-22-16-18-23(19-17-22)25-12-7-8-13-26(25)30-35-37-38-36-30/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,35,36,37,38)",GHOSNRCGJFBJIB-UHFFFAOYSA-N,C33H34N6O6,610.7,610.2539828,7,143,962,0,1,10,13,45,,,1,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,1,1
"6-Heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, calcium salt, (3R,5S,6E)-",147098-20-2,5282455,"calcium bis((E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate)",CC(C1=NC(=NC(=C1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C2=CC=C(C=C2)F)N(S(=O)(=O)C)C)C.CC(C1=NC(=NC(=C1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C2=CC=C(C=C2)F)N(S(=O)(=O)C)C)C.[Ca+2],"InChI=1S/2C22H28FN3O6S.Ca/c2*1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32;/h2*5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30);/q;;+2/p-2/b2*10-9+;/t2*16-,17-;/m11./s1",LALFOYNTGMUKGG-BGRFNVSISA-L,C44H54CaF2N6O12S2,1001.1,1000.283511,,304,761,0,4,20,18,67,,,0,0,0,0,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,1
"L-Cysteinamide, L-cysteinyl-L-lysylglycyl-L-lysylglycyl-L-alanyl-L-prolyl-L-cysteinyl-L-arginyl-L-lysyl-L-threonyl-L-methionyl-L-tyrosyl-L-alpha-aspartyl-L-cysteinyl-L-cysteinyl-L-serylglycyl-L-seryl-L-cysteinylglycyl-L-arginyl-L-arginylglycyl-L-lysyl-, cyclic (1-16),(8-20),(15-26)-tris(disulfide)-",147794-23-8,56841670,"2-[(1R,4S,7S,10S,13S,16S,19S,22R,27R,30S,36S,39S,45R,48S,54S,57R,62R,65S,71S,77S,83S)-62-amino-7,30,65,71-tetrakis(4-aminobutyl)-4,36,39-tris(3-carbamimidamidopropyl)-27-carbamoyl-10-[(1R)-1-hydroxyethyl]-48,54-bis(hydroxymethyl)-16-[(4-hydroxyphenyl)methyl]-77-methyl-13-(2-methylsulfanylethyl)-2,5,8,11,14,17,20,29,32,35,38,41,44,47,50,53,56,63,66,69,72,75,78,84,91-pentacosaoxo-24,25,59,60,87,88-hexathia-3,6,9,12,15,18,21,28,31,34,37,40,43,46,49,52,55,64,67,70,73,76,79,85,90-pentacosazatetracyclo[43.40.4.222,57.079,83]hennonacontan-19-yl]acetic acid",C[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H]3CSSC[C@H]4C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N1)CCCCN)CCCCN)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N4)CO)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC3=O)CCCNC(=N)N)CCCCN)[C@@H](C)O)CCSC)CC5=CC=C(C=C5)O)CC(=O)O)C(=O)N)CCCCN)CCCNC(=N)N)CCCNC(=N)N,"InChI=1S/C106H178N40O32S7/c1-53-103(178)146-36-15-23-75(146)101(176)144-74-52-185-183-49-71-89(164)126-43-79(154)130-62(21-13-34-120-105(115)116)90(165)133-60(20-12-33-119-104(113)114)87(162)124-42-78(153)129-61(18-6-10-31-109)91(166)140-70(83(112)158)48-181-184-51-73(100(175)143-72(99(174)139-68(45-147)88(163)125-44-80(155)131-69(46-148)97(172)141-71)50-182-180-47-57(111)84(159)132-59(17-5-9-30-108)86(161)123-41-77(152)128-58(16-4-8-29-107)85(160)122-40-76(151)127-53)142-96(171)67(39-81(156)157)138-95(170)66(38-55-24-26-56(150)27-25-55)137-93(168)65(28-37-179-3)136-102(177)82(54(2)149)145-94(169)63(19-7-11-32-110)134-92(167)64(135-98(74)173)22-14-35-121-106(117)118/h24-27,53-54,57-75,82,147-150H,4-23,28-52,107-111H2,1-3H3,(H2,112,158)(H,122,160)(H,123,161)(H,124,162)(H,125,163)(H,126,164)(H,127,151)(H,128,152)(H,129,153)(H,130,154)(H,131,155)(H,132,159)(H,133,165)(H,134,167)(H,135,173)(H,136,177)(H,137,168)(H,138,170)(H,139,174)(H,140,166)(H,141,172)(H,142,171)(H,143,175)(H,144,176)(H,145,169)(H,156,157)(H4,113,114,119)(H4,115,116,120)(H4,117,118,121)/t53-,54+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,82-/m0/s1",FHVUTHWUIUXZBY-QLANQDRJSA-N,C106H178N40O32S7,2749.3,2748.160937,-16,1370,5840,0,44,47,42,185,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Phosphorus(1+), (3-hydroxy-3H-1,2,3-triazolo(4,5-b)pyridinato-O)tri-1-pyrrolidinyl-, (T-4)-, hexafluorophosphate(1-)",156311-83-0,11038641,"tripyrrolidin-1-yl(triazolo[4,5-b]pyridin-3-yloxy)phosphanium hexafluorophosphate",C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=C(C=CC=N5)N=N4.F[P-](F)(F)(F)(F)F,"InChI=1S/C17H27N7OP.F6P/c1-2-11-21(10-1)26(22-12-3-4-13-22,23-14-5-6-15-23)25-24-17-16(19-20-24)8-7-9-18-17;1-7(2,3,4,5)6/h7-9H,1-6,10-15H2;/q+1;-1",CBZAHNDHLWAZQC-UHFFFAOYSA-N,C17H27F6N7OP2,521.4,521.1656515,,62.6,502,0,0,14,5,33,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1-Piperidineethanol, alpha-(2,4-difluorophenyl)-beta-methyl-4-methylene-alpha-(1H-1,2,4-triazol-1-ylmethyl)-, (alpha-R,beta-R)-",164650-44-6,489181,"(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylidenepiperidin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol",C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCC(=C)CC3,"InChI=1S/C18H22F2N4O/c1-13-5-7-23(8-6-13)14(2)18(25,10-24-12-21-11-22-24)16-4-3-15(19)9-17(16)20/h3-4,9,11-12,14,25H,1,5-8,10H2,2H3/t14-,18-/m1/s1",NFEZZTICAUWDHU-RDTXWAMCSA-N,C18H22F2N4O,348.4,348.1761677,2,54.2,470,0,1,6,5,25,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"7H-Pyrido(2,1-b)(1,3)thiazepine-7-carboxylic acid, octahydro-4-(((2S)-2-mercapto-1-oxo-3-phenylpropyl)amino)-5-oxo-, (4S,7S,10aS)-",167305-00-2,656629,"(4S,7S,10aS)-5-oxo-4-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acid",C1C[C@H](N2[C@H](C1)SCC[C@@H](C2=O)NC(=O)[C@H](CC3=CC=CC=C3)S)C(=O)O,"InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1",LVRLSYPNFFBYCZ-VGWMRTNUSA-N,C19H24N2O4S2,408.5,408.1177496,2.8,113,568,0,3,6,5,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Glycine, N-(2-((4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl)methyl)-1-oxo-3-phenylpropyl)-,dihydrate, (3R-(1(S*),3-alpha,4-alpha))-",170098-38-1,5488547,"2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic acid;dihydrate",C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](CC3=CC=CC=C3)C(=O)NCC(=O)O.O.O,"InChI=1S/C25H32N2O4.2H2O/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19;;/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30);2*1H2/t18-,20-,25+;;/m0../s1",USPVLEIQIUNQGE-DBFLIVQGSA-N,C25H36N2O6,460.6,460.2573369,,91.9,606,0,5,7,8,33,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"1(2H)-Pyridinecarboxylic acid, 4-(8-chloro-6,11-dihydro-5H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-yl)-3,6-dihydro-, ethyl ester",170727-59-0,59047051,"ethyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate",CCOC(=O)N1CCC(=CC1)C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl,"InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-9,11,14,20H,2,5-6,10,12-13H2,1H3",ZORGYPXITGWTSB-UHFFFAOYSA-N,C22H23ClN2O2,382.9,382.1448057,4,42.4,567,0,0,3,3,27,,,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Ristomycin A aglycone, 5,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-56-O-(2-deoxy-2-((10-methyl-1-oxoundecyl)amino)-beta-D-glucopyranuronosyl)-38-(((3-(dimethylamino)propyl)amino)carbonyl)-42-O-alpha-D-mannopyranosyl-N(sup 15)-methyl-",171500-79-1,16134627,"(2S,3S,4R,5R,6S)-6-[[(1S,2R,19R,22R,34S,37R,40R,52S)-5,32-dichloro-52-[3-(dimethylamino)propylcarbamoyl]-2,26,31,44,49-pentahydroxy-22-(methylamino)-21,35,38,54,56,59-hexaoxo-47-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14(63),15,17(62),23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,65-henicosaen-64-yl]oxy]-3,4-dihydroxy-5-(10-methylundecanoylamino)oxane-2-carboxylic acid",CC(C)CCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=C(C(=CC(=C7)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]1C2=C(C(=CC(=C2)OC2=C(C=CC(=C2)[C@H](C(=O)N[C@H](CC2=CC=C(O3)C=C2)C(=O)N1)NC)O)O)Cl)O)C(=O)NCCCN(C)C)O)Cl)C(=O)O)O)O,"InChI=1S/C88H100Cl2N10O28/c1-38(2)13-10-8-6-7-9-11-14-61(106)94-70-73(109)75(111)78(86(120)121)128-87(70)127-77-58-31-43-32-59(77)124-55-24-19-42(29-50(55)89)71(107)69-85(119)98-67(80(114)92-25-12-26-100(4)5)48-33-44(102)34-57(125-88-76(112)74(110)72(108)60(37-101)126-88)62(48)47-28-40(17-22-52(47)103)65(82(116)99-69)95-83(117)66(43)96-84(118)68-49-35-46(36-54(105)63(49)90)123-56-30-41(18-23-53(56)104)64(91-3)81(115)93-51(79(113)97-68)27-39-15-20-45(122-58)21-16-39/h15-24,28-36,38,51,60,64-76,78,87-88,91,101-105,107-112H,6-14,25-27,37H2,1-5H3,(H,92,114)(H,93,115)(H,94,106)(H,95,117)(H,96,118)(H,97,113)(H,98,119)(H,99,116)(H,120,121)/t51-,60-,64-,65-,66-,67+,68+,69+,70-,71-,72-,73-,74+,75+,76+,78+,87-,88+/m1/s1",KGPGQDLTDHGEGT-SZUNQUCBSA-N,C88H100Cl2N10O28,1816.7,1814.608558,3.8,573,3740,0,21,30,22,128,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"2,1-Benzoxaborole, 5-fluoro-1,3-dihydro-1-hydroxy-",174671-46-6,11499245,"5-fluoro-1-hydroxy-3H-2,1-benzoxaborole",B1(C2=C(CO1)C=C(C=C2)F)O,"InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2",LFQDNHWZDQTITF-UHFFFAOYSA-N,C7H6BFO2,151.93,152.0444878,,29.5,155,0,1,3,0,11,,,0,1,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0
"3H-1,2,4-Triazole-3-thione, 2-(2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1,2-dihydro-",178928-70-6,6451142,"2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,4-triazole-3-thione",C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl,"InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)",MNHVNIJQQRJYDH-UHFFFAOYSA-N,C14H15Cl2N3OS,344.3,343.0312887,2.7,80,458,0,2,2,5,21,,BP: 587 °C (calc),1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
Spinetoram,187166-40-1,24795086,"(1S,2R,5R,7R,9R,10S,14R,15S,19S)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-7-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-19-ethyl-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docos-11-ene-13,21-dione",CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@@H]3[C@H]([C@@H]2CC(=O)O1)CC[C@H]4[C@H]3C[C@@H](C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C,"InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28-,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+/m1/s1",GOENIMGKWNZVDA-RWGFPKGXSA-N,C42H69NO10,748,747.4921474,5.9,111,1260,0,0,11,10,53,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,1,0,0
"2-Naphthalenol, 5,6,7,8-tetrahydro-6-phenyl-5-(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-, (5R,6S)-, (2S,3S)-2,3-dihydroxybutanedioate (1:1)",190791-29-8,3081919,"(2S,3S)-2,3-dihydroxybutanedioic acid;(5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol",C1CCN(C1)CCOC2=CC=C(C=C2)[C@H]3[C@H](CCC4=C3C=CC(=C4)O)C5=CC=CC=C5.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,"InChI=1S/C28H31NO2.C4H6O6/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29;5-1(3(7)8)2(6)4(9)10/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2;1-2,5-6H,(H,7,8)(H,9,10)/t26-,28+;1-,2-/m10/s1",INEHJXCWEVNEDZ-LUDNRVPPSA-N,C32H37NO8,563.6,563.2519171,,148,667,0,5,9,9,41,,,0,0,0,0,0,0,1,1,0,0,0,0,0,1,0,0,0,0,1,0
"1H-Pyrazole-3-carboxamide, 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-4-morpholinyl-",202463-68-1,4302962,"1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide",CC1=C(N(N=C1C(=O)NN2CCOCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)I,"InChI=1S/C21H19Cl2IN4O2/c1-13-19(21(29)26-27-8-10-30-11-9-27)25-28(18-7-4-15(22)12-17(18)23)20(13)14-2-5-16(24)6-3-14/h2-7,12H,8-11H2,1H3,(H,26,29)",AJFFBPZYXRNAIC-UHFFFAOYSA-N,C21H19Cl2IN4O2,557.2,555.99298,5.3,59.4,589,0,1,4,4,30,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,8-Naphthyridine-3-carboxylic acid, 7-((4Z)-3-(aminomethyl)-4-(methoxyimino)-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, monomethanesulfonate",210353-53-0,9588170,"7-[(4Z)-3-(aminomethyl)-4-methoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;methanesulfonic acid",CO/N=C/1\CN(CC1CN)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F.CS(=O)(=O)O,"InChI=1S/C18H20FN5O4.CH4O3S/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17;1-5(2,3)4/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27);1H3,(H,2,3,4)/b22-14+;",JIYMVSQRGZEYAX-CWUUNJJBSA-N,C19H24FN5O7S,485.5,485.1380475,,184,817,0,3,13,5,33,,,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,1,1,0
"beta-Alanine, N-((2-(((4-(aminoiminomethyl)phenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)-N-2-pyridinyl-",211914-51-1,216210,3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid,CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N,"InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)",YBSJFWOBGCMAKL-UHFFFAOYSA-N,C25H25N7O3,471.5,471.2018877,1.7,150,757,0,4,7,9,35,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Benzamide, 2,6-dichloro-N-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)methyl)-",239110-15-7,11159021,"2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]benzamide",C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl,"InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)",GBOYJIHYACSLGN-UHFFFAOYSA-N,C14H8Cl3F3N2O,383.6,381.96543,4.4,42,415,0,1,5,3,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0
"Urea, N-(2-methyl-6-benzoxazolyl)-N'-1,5-naphthyridin-4-yl-",249889-64-3,6604926,"1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea",CC1=NC2=C(O1)C=C(C=C2)NC(=O)NC3=C4C(=NC=C3)C=CC=N4,"InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23)",AKMNUCBQGHFICM-UHFFFAOYSA-N,C17H13N5O2,319.32,319.1069247,2,92.9,462,0,2,5,2,24,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"4-Pyrimidinamine, 5-cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-",256376-24-6,9798973,"5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine",C1CC1C2=CN=C(N=C2N)C3=NN(C4=C3C=CC=N4)CC5=CC=CC=C5F,"InChI=1S/C20H17FN6/c21-16-6-2-1-4-13(16)11-27-20-14(5-3-9-23-20)17(26-27)19-24-10-15(12-7-8-12)18(22)25-19/h1-6,9-10,12H,7-8,11H2,(H2,22,24,25)",ATOAHNRJAXSBOR-UHFFFAOYSA-N,C20H17FN6,360.4,360.1498727,3.1,82.5,517,0,1,6,4,27,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1(2H)-Quinolinecarboxylic acid, 4-(((3,5-bis(trifluoromethyl)phenyl)methyl)(methoxycarbonyl)amino)-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-, ethyl ester, (2R,4S)-",262352-17-0,159325,"ethyl (2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate",CC[C@@H]1C[C@@H](C2=C(N1C(=O)OCC)C=CC(=C2)C(F)(F)F)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC,"InChI=1S/C26H25F9N2O4/c1-4-18-12-21(19-11-15(24(27,28)29)6-7-20(19)37(18)23(39)41-5-2)36(22(38)40-3)13-14-8-16(25(30,31)32)10-17(9-14)26(33,34)35/h6-11,18,21H,4-5,12-13H2,1-3H3/t18-,21+/m1/s1",CMSGWTNRGKRWGS-NQIIRXRSSA-N,C26H25F9N2O4,600.5,600.1670607,7,59.1,889,0,0,13,7,41,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"2H-1-Benzopyran-2-one, 7-(phenylmethoxy)-4-(trifluoromethyl)-",277309-33-8,22090817,7-(phenylmethoxymethoxy)-4-(trifluoromethyl)chromen-2-one,C1=CC=C(C=C1)COCOC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F,"InChI=1S/C18H13F3O4/c19-18(20,21)15-9-17(22)25-16-8-13(6-7-14(15)16)24-11-23-10-12-4-2-1-3-5-12/h1-9H,10-11H2",PNMPACFWCQYKAL-UHFFFAOYSA-N,C18H13F3O4,350.3,350.0765934,3.8,44.8,497,0,0,7,5,25,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1,4-Diazabicyclo(3.2.2)nonane-4-carboxylic acid, 4-bromophenyl ester",298198-52-4,9797360,"(4-bromophenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate",C1CN2CCC1N(CC2)C(=O)OC3=CC=C(C=C3)Br,"InChI=1S/C14H17BrN2O2/c15-11-1-3-13(4-2-11)19-14(18)17-10-9-16-7-5-12(17)6-8-16/h1-4,12H,5-10H2",RXLOZRCLQMJJLC-UHFFFAOYSA-N,C14H17BrN2O2,325.2,324.04734,2.7,32.8,323,0,0,3,2,19,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0
"1H-1,2,4-Triazole-1-sulfonamide, 3-((3-bromo-6-fluoro-2-methy-1H-indol-1-yl)sulfonyl)-N,N-dimethyl-",348635-87-0,10238657,"3-(3-bromo-6-fluoro-2-methylindol-1-yl)sulfonyl-N,N-dimethyl-1,2,4-triazole-1-sulfonamide",CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br,"InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3",BREATYVWRHIPIY-UHFFFAOYSA-N,C13H13BrFN5O4S2,466.3,464.95764,2.4,124,741,0,0,8,4,26,,,1,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0
"2(3H)-Benzoxazolone, 7-(4-((1,1'-biphenyl)-3-ylmethyl)-1-piperazinyl)-, monomethanesulfonate",350992-13-1,6918587,"methanesulfonic acid;7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one",CS(=O)(=O)O.C1CN(CCN1CC2=CC(=CC=C2)C3=CC=CC=C3)C4=CC=CC5=C4OC(=O)N5,"InChI=1S/C24H23N3O2.CH4O3S/c28-24-25-21-10-5-11-22(23(21)29-24)27-14-12-26(13-15-27)17-18-6-4-9-20(16-18)19-7-2-1-3-8-19;1-5(2,3)4/h1-11,16H,12-15,17H2,(H,25,28);1H3,(H,2,3,4)",ONWKHSGOYGLGPO-UHFFFAOYSA-N,C25H27N3O5S,481.6,481.1671421,,108,649,0,2,7,4,34,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"3-Pyridinesulfonamide, N-(5,7-dimethoxy(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)-",422556-08-9,11571555,"N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide",COC1=CC(=NC2=NC(=NN12)NS(=O)(=O)C3=C(C=CN=C3OC)C(F)(F)F)OC,"InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)",GLBLPMUBLHYFCW-UHFFFAOYSA-N,C14H13F3N6O5S,434.35,434.0620232,1.7,138,665,0,1,13,6,29,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0
"2-Butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-(((3S)-tetrahydro-3-furanyl)oxy)-6-quinazolinyl)-4-(dimethylamino)-",439081-18-2,10184653,(E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide,CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4,"InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1",ULXXDDBFHOBEHA-CWDCEQMOSA-N,C24H25ClFN5O3,485.9,485.1629955,3.6,88.6,702,0,2,8,8,34,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,1,1
"Isoxazole, 3-(((5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)sulfonyl)-4,5-dihydro-5,5-dimethyl-",447399-55-5,11556910,"3-[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]-5,5-dimethyl-4H-1,2-oxazole",CC1(CC(=NO1)S(=O)(=O)CC2=C(N(N=C2C(F)(F)F)C)OC(F)F)C,"InChI=1S/C12H14F5N3O4S/c1-11(2)4-7(19-24-11)25(21,22)5-6-8(12(15,16)17)18-20(3)9(6)23-10(13)14/h10H,4-5H2,1-3H3",CASLETQIYIQFTQ-UHFFFAOYSA-N,C12H14F5N3O4S,391.32,391.0625179,2.1,91.2,632,0,0,11,5,25,,,1,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0
"Urea, N-(2-chloro-4-((6,7-dimethoxy-4-quinolinyl)oxy)phenyl)-N'-(5-methyl-3-isoxazolyl)-",475108-18-0,9911830,"1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea",CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl,"InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18/h4-11H,1-3H3,(H2,25,26,27,28)",SPMVMDHWKHCIDT-UHFFFAOYSA-N,C22H19ClN4O5,454.9,454.1043974,4,108,631,0,2,7,6,32,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"1H-Pyrazole-4-carboxamide, N-(2-(1,3-dimethylbutyl)phenyl)-5-fluoro-1,3-dimethyl-",494793-67-8,11674113,"5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide",CC1=NN(C(=C1C(=O)NC2=CC=CC=C2C(C)CC(C)C)F)C,"InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)",GOFJDXZZHFNFLV-UHFFFAOYSA-N,C18H24FN3O,317.4,317.1903406,4.4,46.9,404,0,1,3,5,23,,,1,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"1H-Pyrazole-5-carboxamide, 3-bromo-N-(4-chloro-2-methyl-6-((methylamino)carbonyl)phenyl)-1-(3-chloro-2-pyridinyl)-",500008-45-7,11271640,3-bromo-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide,CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)Cl,"InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)",PSOVNZZNOMJUBI-UHFFFAOYSA-N,C18H14BrCl2N5O2,483.1,480.97079,4.8,88.9,586,0,2,4,4,28,,,1,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,1
"Propanamide, N-(((1R,2R)-2-(2,3-dihydro-4-benzofuranyl)cyclopropyl)methyl)-",609799-22-6,10220503,"N-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide",CCC(=O)NC[C@@H]1C[C@H]1C2=C3CCOC3=CC=C2,"InChI=1S/C15H19NO2/c1-2-15(17)16-9-10-8-13(10)11-4-3-5-14-12(11)6-7-18-14/h3-5,10,13H,2,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1",PTOIAAWZLUQTIO-GXFFZTMASA-N,C15H19NO2,245.32,245.1415788,2.2,38.3,318,0,1,2,4,18,,442.553°C,0,1,1,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1
"Butanoic acid, 4-oxo-4-((4-(4-pyridinylmethyl)phenyl)amino)-",676599-90-9,10379137,(E)-N-hydroxy-3-[1-methyl-4-(2-phenylacetyl)pyrrol-2-yl]prop-2-enamide,CN1C=C(C=C1/C=C/C(=O)NO)C(=O)CC2=CC=CC=C2,"InChI=1S/C16H16N2O3/c1-18-11-13(10-14(18)7-8-16(20)17-21)15(19)9-12-5-3-2-4-6-12/h2-8,10-11,21H,9H2,1H3,(H,17,20)/b8-7+",UFQOXIMRSMFQRI-BQYQJAHWSA-N,C16H16N2O3,284.31,284.1160924,1.2,71.3,402,0,2,3,5,21,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0
"Imidazo(2,1-b)oxazole, 2,3-dihydro-2-methyl-6-nitro-2-((4-(4-(4-(trifluoromethoxy)phenoxy)-1-piperidinyl)phenoxy)methyl)-, (2R)-",681492-22-8,6480466,"(2R)-2-methyl-6-nitro-2-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole",C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)OC5=CC=C(C=C5)OC(F)(F)F,"InChI=1S/C25H25F3N4O6/c1-24(15-31-14-22(32(33)34)29-23(31)38-24)16-35-18-4-2-17(3-5-18)30-12-10-20(11-13-30)36-19-6-8-21(9-7-19)37-25(26,27)28/h2-9,14,20H,10-13,15-16H2,1H3/t24-/m1/s1",XDAOLTSRNUSPPH-XMMPIXPASA-N,C25H25F3N4O6,534.5,534.172619,5.6,104,795,0,0,11,7,38,,,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,1
"3-Pyrrolidinol, 1-((1R,2R)-2-(2-(3,4-dimethoxyphenyl)ethoxy)cyclohexyl)-, hydrochloride, (3R)-",748810-28-8,9930048,"(3R)-1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;hydrochloride",COC1=C(C=C(C=C1)CCO[C@@H]2CCCC[C@H]2N3CC[C@H](C3)O)OC.Cl,"InChI=1S/C20H31NO4.ClH/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21;/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3;1H/t16-,17-,18-;/m1./s1",JMHYCBFEEFHTMK-IIUXMCBISA-N,C20H32ClNO4,385.9,385.2019862,,51.2,394,0,2,5,7,26,,,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,0,1,0,0,1
"1,2-Benzenediamine, 4-methyl-N(sup 1)-(3-phenylpropyl)-",749886-87-1,16760588,"4-methyl-1-N-(3-phenylpropyl)benzene-1,2-diamine",CC1=CC(=C(C=C1)NCCCC2=CC=CC=C2)N,"InChI=1S/C16H20N2/c1-13-9-10-16(15(17)12-13)18-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11,17H2,1H3",YMFNPBSZFWXMAD-UHFFFAOYSA-N,C16H20N2,240.34,240.1626486,3.9,38.1,223,0,2,2,5,18,,,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2(1H)-Quinolinone, 3,4-dihydro-6-((4-(((3-(methylsulfonyl)phenyl)methyl)amino)-5-(trifluoromethyl)-2-pyrimidinyl)amino)-",869288-64-2,11612883,"6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one",CS(=O)(=O)C1=CC=CC(=C1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)CC4,"InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)",HESLKTSGTIBHJU-UHFFFAOYSA-N,C22H20F3N5O3S,491.5,491.1238952,3.2,121,822,0,3,10,6,34,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"2H-1-Benzopyran, 8-ethoxy-2-(4-fluorophenyl)-3-nitro-",883046-50-2,2732983,8-ethoxy-2-(4-fluorophenyl)-3-nitro-2H-chromene,CCOC1=CC=CC2=C1OC(C(=C2)[N+](=O)[O-])C3=CC=C(C=C3)F,"InChI=1S/C17H14FNO4/c1-2-22-15-5-3-4-12-10-14(19(20)21)16(23-17(12)15)11-6-8-13(18)9-7-11/h3-10,16H,2H2,1H3",BFZXDHIUPNWOMT-UHFFFAOYSA-N,C17H14FNO4,315.29,315.0906861,3.9,64.3,456,0,0,5,3,23,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0
"2(1H)-Quinolinone, 7-(4-(4-benzo(b)thien-4-yl-1-piperazinyl)butoxy)-",913611-97-9,11978813,7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one,C1CN(CCN1CCCCOC2=CC3=C(C=C2)C=CC(=O)N3)C4=C5C=CSC5=CC=C4,"InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)",ZKIAIYBUSXZPLP-UHFFFAOYSA-N,C25H27N3O2S,433.6,433.1823983,4.7,73.1,636,0,1,5,7,31,,,1,0,0,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"1H-Indole, 5-chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-, hydrochloride",1171123-46-8,56972198,"5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;hydrochloride",CC1=C(C2=C(N1)C=CC(=C2)Cl)C3=CCNCC3.Cl,"InChI=1S/C14H15ClN2.ClH/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9;/h2-4,8,16-17H,5-7H2,1H3;1H",WWSNDUWIZDYGIQ-UHFFFAOYSA-N,C14H16Cl2N2,283.2,282.0690539,,27.8,315,0,3,1,1,18,,,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
"Benzenesulfonamide, N-(3-(5-(2-amino-4-pyrimidinyl)-2-(1,1-dimethylethyl)-4-thiazolyl)-2-fluorophenyl)-2,6-difluoro-",1195765-45-7,44462760,"N-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide",CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F,"InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)",BFSMGDJOXZAERB-UHFFFAOYSA-N,C23H20F3N5O2S2,519.6,519.1010517,4.8,147,817,0,2,11,6,35,,,1,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,1,0
"Auristatin E, valine-citrulline-monomethyl-, conjugated with anti-TMEFF2 monoclonal antibody",,11498622,"(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide",CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C,"InChI=1S/C40H69N5O7/c1-14-26(6)35(44(11)40(50)33(24(2)3)42-39(49)34(25(4)5)43(9)10)31(51-12)23-32(46)45-22-18-21-30(45)37(52-13)27(7)38(48)41-28(8)36(47)29-19-16-15-17-20-29/h15-17,19-20,24-28,30-31,33-37,47H,14,18,21-23H2,1-13H3,(H,41,48)(H,42,49)/t26-,27+,28+,30-,31+,33-,34-,35-,36+,37+/m0/s1",WOWDZACBATWTAU-FEFUEGSOSA-N,C40H69N5O7,732,731.5196996,4.5,141,1130,0,3,8,20,52,,,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0
"3-Azabicyclo(3.2.1)octane, 3-(p-aminobenzoyl)-1,8,8-trimethyl-, hydrochloride,hydrate (2:2:1)",,12313490,3-azabicyclo[3.2.1]octane,C1CC2CC1CNC2,"InChI=1S/C7H13N/c1-2-7-3-6(1)4-8-5-7/h6-8H,1-5H2",CJQNJRRDTPULTL-UHFFFAOYSA-N,C7H13N,111.18,111.1047994,0.9,12,80,0,1,1,0,8,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"8-Azabicyclo(3.2.1)oct-2-ene-2-carboxylic acid, 8-methyl-, methyl ester, (1R,5S)-",,119478,"methyl (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate",CN1[C@H]2CC[C@@H]1C(=CC2)C(=O)OC,"InChI=1S/C10H15NO2/c1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h5,7,9H,3-4,6H2,1-2H3/t7-,9-/m1/s1",MPSNEAHFGOEKBI-VXNVDRBHSA-N,C10H15NO2,181.23,181.1102787,1.1,29.5,260,0,0,3,2,13,,,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0
"Benzamide, N-(4-amino-2-methyl-6-quinolinyl)-2-((4-ethylphenoxy)methyl)-, monohydrochloride",,5311339,N-(4-amino-2-methylquinolin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide;hydrochloride,CCC1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)NC3=CC4=C(C=C(N=C4C=C3)C)N.Cl,"InChI=1S/C26H25N3O2.ClH/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25;/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30);1H",NQLIYKXNAXKMBL-UHFFFAOYSA-N,C26H26ClN3O2,448,447.1713548,,77.2,577,0,3,4,6,32,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0
"Benzamide, N-(cis-4-((4-(dimethylamino)-2-quinazolinyl)amino)cyclohexyl)-3,4-difluoro-, hydrochloride",,9934032,"N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide;hydrochloride",CN(C)C1=NC(=NC2=CC=CC=C21)NC3CCC(CC3)NC(=O)C4=CC(=C(C=C4)F)F.Cl,"InChI=1S/C23H25F2N5O.ClH/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14;/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29);1H",HUUPKFUYSQNNLO-UHFFFAOYSA-N,C23H26ClF2N5O,461.9,461.1793945,,70.2,601,0,3,7,5,32,,,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0,0,1
"2H-1-Benzopyran-6-carbonitrile, 4-((4-chlorophenyl)(1H-imidazol-2-ylmethyl)amino)-3,4-dihydro-3-hydroxy-2,2-dimethyl-, monohydrochloride, (3R,4S)-",,24835282,"(3R,4S)-4-[4-chloro-N-(1H-imidazol-2-ylmethyl)anilino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile;hydrochloride",CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)C#N)N(CC3=NC=CN3)C4=CC=C(C=C4)Cl)O)C.Cl,"InChI=1S/C22H21ClN4O2.ClH/c1-22(2)21(28)20(17-11-14(12-24)3-8-18(17)29-22)27(13-19-25-9-10-26-19)16-6-4-15(23)5-7-16;/h3-11,20-21,28H,13H2,1-2H3,(H,25,26);1H/t20-,21+;/m0./s1",TZLMTXNZECPICU-JUDYQFGCSA-N,C22H22Cl2N4O2,445.3,444.1119813,,85.2,615,0,3,5,4,30,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"2,4-Diazaspiro(5.5)undec-8-ene-1,5-dione, 3-thioxo-",,24837402,"3-sulfanylidene-2,4-diazaspiro[5.5]undec-9-ene-1,5-dione",C1CC2(CC=C1)C(=O)NC(=S)NC2=O,"InChI=1S/C9H10N2O2S/c12-6-9(4-2-1-3-5-9)7(13)11-8(14)10-6/h1-2H,3-5H2,(H2,10,11,12,13,14)",JGOQTNAJWVVNJM-UHFFFAOYSA-N,C9H10N2O2S,210.26,210.0462987,0.8,90.3,329,0,2,3,0,14,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Estr-5(10)-ene-3,17-dione",,107484,"(8R,9S,13S,14S)-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione",C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3CCC(=O)C4,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h14-16H,2-10H2,1H3/t14-,15-,16+,18+/m1/s1",RORYLAUXKSWMQL-CBZIJGRNSA-N,C18H24O2,272.4,272.17763,1.9,34.1,516,0,0,2,0,20,,,1,0,0,1,0,1,1,0,0,0,0,0,0,1,0,0,0,0,0,0
"Methanone, (2,3-dichlorophenyl)(5-methoxy-2-methyl-3-(2-(4-morpholinyl)ethyl)-1H-indol-1-yl)-",,9911463,"(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanone",CC1=C(C2=C(N1C(=O)C3=C(C(=CC=C3)Cl)Cl)C=CC(=C2)OC)CCN4CCOCC4,"InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3",FSFZRNZSZYDVLI-UHFFFAOYSA-N,C23H24Cl2N2O3,447.4,446.116398,5.1,43.7,589,0,0,4,5,30,,,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0
"Methanone, (2-iodo-5-nitrophenyl)(1-((1-methyl-2-piperidinyl)methyl)-1H-indol-3-yl)-",,10141893,(2-iodo-5-nitrophenyl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone,CN1CCCCC1CN2C=C(C3=CC=CC=C32)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])I,"InChI=1S/C22H22IN3O3/c1-24-11-5-4-6-16(24)13-25-14-19(17-7-2-3-8-21(17)25)22(27)18-12-15(26(28)29)9-10-20(18)23/h2-3,7-10,12,14,16H,4-6,11,13H2,1H3",ZUHIXXCLLBMBDW-UHFFFAOYSA-N,C22H22IN3O3,503.3,503.07059,4.7,71.1,613,0,0,4,4,29,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,1,0,0,1
"1-Piperidinebutyramide, alpha,alpha-diphenyl-, monohydrochloride",,166974,"2,2-diphenyl-4-piperidin-1-ylbutanamide;hydrochloride",C1CCN(CC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N.Cl,"InChI=1S/C21H26N2O.ClH/c22-20(24)21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-23-15-8-3-9-16-23;/h1-2,4-7,10-13H,3,8-9,14-17H2,(H2,22,24);1H",GNQVMBPLQIGMHJ-UHFFFAOYSA-N,C21H27ClN2O,358.9,358.1811912,,46.3,373,0,2,2,6,25,,,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"9H-Purin-2-amine, 6-chloro-9-((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)-",,16736529,"6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine",CC1=CN=C(C(=C1OC)C)CN2C=NC3=C2N=C(N=C3Cl)N,"InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)",QULDDKSCVCJTPV-UHFFFAOYSA-N,C14H15ClN6O,318.76,318.0995868,1.9,91.7,388,0,1,6,3,22,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"5H-Pyrido(2,3-b)azepine, 6,7,8,9-tetrahydro-",,12413175,"6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine",C1CCNC2=C(C1)C=CC=N2,"InChI=1S/C9H12N2/c1-2-6-10-9-8(4-1)5-3-7-11-9/h3,5,7H,1-2,4,6H2,(H,10,11)",TYUNYXYPNUPGGI-UHFFFAOYSA-N,C9H12N2,148.2,148.1000484,1.9,24.9,125,0,1,2,0,11,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"(1,2,4)Triazolo(1,5-a)pyridine",,67508,"[1,2,4]triazolo[1,5-a]pyridine",C1=CC2=NC=NN2C=C1,InChI=1S/C6H5N3/c1-2-4-9-6(3-1)7-5-8-9/h1-5H,DACWQSNZECJJGG-UHFFFAOYSA-N,C6H5N3,119.12,119.0483472,0.7,30.2,104,0,0,2,0,9,,,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,1
"Urea, N-(2-(6,7-dihydro-9,10-dimethoxy-4-oxo-2-((2,4,6-trimethylphenyl)imino)-2H-pyrimido(6,1-a)isoquinolin-3(4H)-yl)ethyl)-",,9934746,"2-[9,10-dimethoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethylurea",CC1=CC(=C(C(=C1)C)N=C2C=C3C4=CC(=C(C=C4CCN3C(=O)N2CCNC(=O)N)OC)OC)C,"InChI=1S/C26H31N5O4/c1-15-10-16(2)24(17(3)11-15)29-23-14-20-19-13-22(35-5)21(34-4)12-18(19)6-8-30(20)26(33)31(23)9-7-28-25(27)32/h10-14H,6-9H2,1-5H3,(H3,27,28,32)",CSOBIBXVIYAXFM-UHFFFAOYSA-N,C26H31N5O4,477.6,477.2376045,2.7,109,849,0,2,5,6,35,,,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,1